USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 872 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 66 ASN : amide:sc= -0.293 X(o=0.61,f=0.63) USER MOD Set 1.2: A 85 SER OG : rot 74:sc= 0.904 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.379 K(o=-0.65,f=-1.5) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.273 X(o=-0.65,f=-0.38) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Single : A 17 CYS SG : rot -101:sc= 0.648 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= 0.0362 (180deg=-0.0146) USER MOD Single : A 26 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.12) USER MOD Single : A 27 TYR OH : rot 13:sc= -1.18 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 150:sc= -0.861 USER MOD Single : A 40 HIS : no HD1:sc= 0.0104 K(o=0.01,f=-1.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0.186 (180deg=0.186) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.65) USER MOD Single : A 77 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.0021) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 70:sc= 1.1 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 153:sc= -0.197 (180deg=-0.838) USER MOD Single : A 114 GLN : amide:sc= -3.34! C(o=-3.3!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.878 -33.821 7.077 1.00 0.00 N ATOM 2 CA GLY A 1 -28.122 -33.405 8.244 1.00 0.00 C ATOM 3 C GLY A 1 -26.627 -33.572 8.057 1.00 0.00 C ATOM 4 O GLY A 1 -25.955 -34.183 8.887 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.894 -33.687 7.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.592 -33.249 6.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.690 -34.825 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.343 -32.360 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.444 -33.987 9.108 1.00 0.00 H new ATOM 8 N SER A 2 -26.106 -33.028 6.962 1.00 0.00 N ATOM 9 CA SER A 2 -24.681 -33.123 6.665 1.00 0.00 C ATOM 10 C SER A 2 -24.014 -31.754 6.755 1.00 0.00 C ATOM 11 O SER A 2 -24.679 -30.721 6.673 1.00 0.00 O ATOM 12 CB SER A 2 -24.468 -33.717 5.271 1.00 0.00 C ATOM 13 OG SER A 2 -23.103 -34.029 5.053 1.00 0.00 O ATOM 0 H SER A 2 -26.649 -32.517 6.266 1.00 0.00 H new ATOM 0 HA SER A 2 -24.224 -33.779 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.072 -34.617 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.808 -33.009 4.515 1.00 0.00 H new ATOM 0 HG SER A 2 -22.993 -34.409 4.156 1.00 0.00 H new ATOM 19 N SER A 3 -22.696 -31.755 6.923 1.00 0.00 N ATOM 20 CA SER A 3 -21.938 -30.514 7.028 1.00 0.00 C ATOM 21 C SER A 3 -21.710 -29.898 5.651 1.00 0.00 C ATOM 22 O SER A 3 -21.038 -30.481 4.801 1.00 0.00 O ATOM 23 CB SER A 3 -20.594 -30.768 7.713 1.00 0.00 C ATOM 24 OG SER A 3 -20.752 -30.896 9.116 1.00 0.00 O ATOM 0 H SER A 3 -22.131 -32.601 6.989 1.00 0.00 H new ATOM 0 HA SER A 3 -22.518 -29.814 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.143 -31.675 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.910 -29.948 7.494 1.00 0.00 H new ATOM 0 HG SER A 3 -19.879 -31.059 9.530 1.00 0.00 H new ATOM 30 N GLY A 4 -22.278 -28.715 5.437 1.00 0.00 N ATOM 31 CA GLY A 4 -22.127 -28.039 4.162 1.00 0.00 C ATOM 32 C GLY A 4 -20.705 -27.572 3.919 1.00 0.00 C ATOM 33 O GLY A 4 -20.045 -28.030 2.986 1.00 0.00 O ATOM 0 H GLY A 4 -22.840 -28.213 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.427 -28.712 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.799 -27.181 4.127 1.00 0.00 H new ATOM 37 N SER A 5 -20.232 -26.656 4.759 1.00 0.00 N ATOM 38 CA SER A 5 -18.882 -26.123 4.627 1.00 0.00 C ATOM 39 C SER A 5 -18.488 -25.327 5.868 1.00 0.00 C ATOM 40 O SER A 5 -19.340 -24.760 6.551 1.00 0.00 O ATOM 41 CB SER A 5 -18.780 -25.235 3.385 1.00 0.00 C ATOM 42 OG SER A 5 -17.454 -25.204 2.887 1.00 0.00 O ATOM 0 H SER A 5 -20.764 -26.268 5.538 1.00 0.00 H new ATOM 0 HA SER A 5 -18.196 -26.963 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.453 -25.606 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.103 -24.223 3.630 1.00 0.00 H new ATOM 0 HG SER A 5 -17.416 -24.631 2.093 1.00 0.00 H new ATOM 48 N SER A 6 -17.190 -25.291 6.153 1.00 0.00 N ATOM 49 CA SER A 6 -16.682 -24.569 7.313 1.00 0.00 C ATOM 50 C SER A 6 -15.377 -23.854 6.979 1.00 0.00 C ATOM 51 O SER A 6 -14.715 -24.173 5.993 1.00 0.00 O ATOM 52 CB SER A 6 -16.465 -25.531 8.484 1.00 0.00 C ATOM 53 OG SER A 6 -15.471 -26.493 8.176 1.00 0.00 O ATOM 0 H SER A 6 -16.471 -25.754 5.596 1.00 0.00 H new ATOM 0 HA SER A 6 -17.423 -23.822 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.170 -24.969 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.401 -26.035 8.723 1.00 0.00 H new ATOM 0 HG SER A 6 -15.350 -27.094 8.940 1.00 0.00 H new ATOM 59 N GLY A 7 -15.013 -22.882 7.811 1.00 0.00 N ATOM 60 CA GLY A 7 -13.789 -22.135 7.587 1.00 0.00 C ATOM 61 C GLY A 7 -14.040 -20.792 6.930 1.00 0.00 C ATOM 62 O GLY A 7 -13.360 -20.426 5.972 1.00 0.00 O ATOM 0 H GLY A 7 -15.543 -22.599 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.282 -21.981 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.118 -22.723 6.960 1.00 0.00 H new ATOM 66 N MET A 8 -15.021 -20.058 7.445 1.00 0.00 N ATOM 67 CA MET A 8 -15.360 -18.748 6.900 1.00 0.00 C ATOM 68 C MET A 8 -14.105 -17.910 6.676 1.00 0.00 C ATOM 69 O MET A 8 -13.258 -17.796 7.561 1.00 0.00 O ATOM 70 CB MET A 8 -16.316 -18.013 7.842 1.00 0.00 C ATOM 71 CG MET A 8 -17.232 -17.030 7.131 1.00 0.00 C ATOM 72 SD MET A 8 -18.783 -16.763 8.013 1.00 0.00 S ATOM 73 CE MET A 8 -19.023 -15.007 7.752 1.00 0.00 C ATOM 0 H MET A 8 -15.594 -20.347 8.237 1.00 0.00 H new ATOM 0 HA MET A 8 -15.851 -18.898 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.924 -18.745 8.373 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.734 -17.478 8.592 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.716 -16.077 7.015 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.448 -17.400 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.945 -14.689 8.239 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.181 -14.458 8.174 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.089 -14.804 6.683 1.00 0.00 H new ATOM 83 N ALA A 9 -13.993 -17.328 5.487 1.00 0.00 N ATOM 84 CA ALA A 9 -12.842 -16.500 5.147 1.00 0.00 C ATOM 85 C ALA A 9 -12.493 -15.551 6.289 1.00 0.00 C ATOM 86 O ALA A 9 -13.373 -15.081 7.009 1.00 0.00 O ATOM 87 CB ALA A 9 -13.114 -15.716 3.872 1.00 0.00 C ATOM 0 H ALA A 9 -14.685 -17.414 4.743 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.989 -17.157 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.246 -15.102 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.308 -16.409 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.983 -15.074 4.018 1.00 0.00 H new ATOM 93 N SER A 10 -11.203 -15.275 6.448 1.00 0.00 N ATOM 94 CA SER A 10 -10.737 -14.385 7.506 1.00 0.00 C ATOM 95 C SER A 10 -10.336 -13.028 6.936 1.00 0.00 C ATOM 96 O SER A 10 -9.867 -12.930 5.802 1.00 0.00 O ATOM 97 CB SER A 10 -9.552 -15.012 8.243 1.00 0.00 C ATOM 98 OG SER A 10 -9.991 -15.808 9.330 1.00 0.00 O ATOM 0 H SER A 10 -10.462 -15.654 5.859 1.00 0.00 H new ATOM 0 HA SER A 10 -11.556 -14.236 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.972 -15.623 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.890 -14.227 8.607 1.00 0.00 H new ATOM 0 HG SER A 10 -9.215 -16.199 9.784 1.00 0.00 H new ATOM 104 N THR A 11 -10.523 -11.980 7.733 1.00 0.00 N ATOM 105 CA THR A 11 -10.183 -10.628 7.310 1.00 0.00 C ATOM 106 C THR A 11 -9.437 -9.879 8.409 1.00 0.00 C ATOM 107 O THR A 11 -9.838 -9.904 9.573 1.00 0.00 O ATOM 108 CB THR A 11 -11.441 -9.827 6.922 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.321 -9.723 8.046 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.168 -10.491 5.762 1.00 0.00 C ATOM 0 H THR A 11 -10.908 -12.043 8.675 1.00 0.00 H new ATOM 0 HA THR A 11 -9.538 -10.723 6.436 1.00 0.00 H new ATOM 0 HB THR A 11 -11.129 -8.830 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.117 -9.211 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.053 -9.908 5.506 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.505 -10.543 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.468 -11.499 6.050 1.00 0.00 H new ATOM 118 N PHE A 12 -8.351 -9.213 8.032 1.00 0.00 N ATOM 119 CA PHE A 12 -7.548 -8.457 8.986 1.00 0.00 C ATOM 120 C PHE A 12 -7.983 -6.995 9.024 1.00 0.00 C ATOM 121 O PHE A 12 -8.901 -6.590 8.311 1.00 0.00 O ATOM 122 CB PHE A 12 -6.065 -8.550 8.624 1.00 0.00 C ATOM 123 CG PHE A 12 -5.550 -9.959 8.563 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.805 -10.757 7.459 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.809 -10.486 9.608 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.333 -12.054 7.400 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.334 -11.783 9.556 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.596 -12.568 8.450 1.00 0.00 C ATOM 0 H PHE A 12 -8.007 -9.181 7.072 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.701 -8.890 9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.904 -8.071 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.484 -7.991 9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.380 -10.360 6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.600 -9.876 10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.540 -12.666 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.759 -12.182 10.379 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.226 -13.582 8.406 1.00 0.00 H new ATOM 138 N ASN A 13 -7.318 -6.207 9.863 1.00 0.00 N ATOM 139 CA ASN A 13 -7.636 -4.790 9.996 1.00 0.00 C ATOM 140 C ASN A 13 -6.439 -3.926 9.612 1.00 0.00 C ATOM 141 O ASN A 13 -5.619 -3.549 10.449 1.00 0.00 O ATOM 142 CB ASN A 13 -8.067 -4.475 11.430 1.00 0.00 C ATOM 143 CG ASN A 13 -9.182 -5.384 11.912 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.059 -6.042 12.945 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.278 -5.423 11.162 1.00 0.00 N ATOM 0 H ASN A 13 -6.556 -6.526 10.461 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.459 -4.563 9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.209 -4.574 12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.397 -3.438 11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.062 -6.016 11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.336 -4.860 10.313 1.00 0.00 H new ATOM 152 N PRO A 14 -6.336 -3.602 8.314 1.00 0.00 N ATOM 153 CA PRO A 14 -5.244 -2.777 7.788 1.00 0.00 C ATOM 154 C PRO A 14 -5.344 -1.325 8.243 1.00 0.00 C ATOM 155 O PRO A 14 -6.310 -0.935 8.898 1.00 0.00 O ATOM 156 CB PRO A 14 -5.424 -2.876 6.271 1.00 0.00 C ATOM 157 CG PRO A 14 -6.870 -3.178 6.080 1.00 0.00 C ATOM 158 CD PRO A 14 -7.277 -4.016 7.260 1.00 0.00 C ATOM 0 HA PRO A 14 -4.270 -3.118 8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.146 -1.945 5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.797 -3.661 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.457 -2.261 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.037 -3.713 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.311 -3.828 7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.195 -5.081 7.044 1.00 0.00 H new ATOM 166 N ARG A 15 -4.338 -0.530 7.892 1.00 0.00 N ATOM 167 CA ARG A 15 -4.313 0.879 8.265 1.00 0.00 C ATOM 168 C ARG A 15 -4.365 1.770 7.028 1.00 0.00 C ATOM 169 O ARG A 15 -3.488 1.705 6.167 1.00 0.00 O ATOM 170 CB ARG A 15 -3.056 1.191 9.079 1.00 0.00 C ATOM 171 CG ARG A 15 -3.205 0.906 10.564 1.00 0.00 C ATOM 172 CD ARG A 15 -1.877 0.514 11.193 1.00 0.00 C ATOM 173 NE ARG A 15 -0.992 1.663 11.363 1.00 0.00 N ATOM 174 CZ ARG A 15 0.300 1.558 11.653 1.00 0.00 C ATOM 175 NH1 ARG A 15 0.855 0.363 11.803 1.00 0.00 N ATOM 176 NH2 ARG A 15 1.041 2.650 11.792 1.00 0.00 N ATOM 0 H ARG A 15 -3.530 -0.838 7.350 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.193 1.083 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.225 0.605 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.797 2.241 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.600 1.789 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.929 0.104 10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.058 0.049 12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.386 -0.232 10.568 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.387 2.597 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.289 -0.479 11.696 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.847 0.286 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.619 3.571 11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.033 2.568 12.015 1.00 0.00 H new ATOM 190 N GLU A 16 -5.399 2.602 6.946 1.00 0.00 N ATOM 191 CA GLU A 16 -5.566 3.505 5.813 1.00 0.00 C ATOM 192 C GLU A 16 -4.750 4.780 6.010 1.00 0.00 C ATOM 193 O GLU A 16 -4.773 5.385 7.082 1.00 0.00 O ATOM 194 CB GLU A 16 -7.043 3.855 5.625 1.00 0.00 C ATOM 195 CG GLU A 16 -7.371 4.383 4.238 1.00 0.00 C ATOM 196 CD GLU A 16 -8.781 4.932 4.141 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.103 5.873 4.898 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.562 4.423 3.311 1.00 0.00 O ATOM 0 H GLU A 16 -6.133 2.669 7.651 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.204 2.997 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.646 2.968 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.328 4.602 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.661 5.167 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.246 3.582 3.509 1.00 0.00 H new ATOM 205 N CYS A 17 -4.032 5.181 4.967 1.00 0.00 N ATOM 206 CA CYS A 17 -3.207 6.383 5.024 1.00 0.00 C ATOM 207 C CYS A 17 -3.560 7.339 3.889 1.00 0.00 C ATOM 208 O CYS A 17 -3.325 7.042 2.717 1.00 0.00 O ATOM 209 CB CYS A 17 -1.725 6.014 4.954 1.00 0.00 C ATOM 210 SG CYS A 17 -1.193 4.848 6.230 1.00 0.00 S ATOM 0 H CYS A 17 -4.004 4.692 4.072 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.404 6.884 5.972 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.514 5.585 3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.131 6.924 5.038 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.588 5.493 7.183 1.00 0.00 H new ATOM 216 N LYS A 18 -4.128 8.486 4.244 1.00 0.00 N ATOM 217 CA LYS A 18 -4.515 9.486 3.256 1.00 0.00 C ATOM 218 C LYS A 18 -3.416 10.530 3.079 1.00 0.00 C ATOM 219 O LYS A 18 -3.272 11.439 3.897 1.00 0.00 O ATOM 220 CB LYS A 18 -5.819 10.169 3.675 1.00 0.00 C ATOM 221 CG LYS A 18 -7.065 9.398 3.276 1.00 0.00 C ATOM 222 CD LYS A 18 -8.282 9.861 4.058 1.00 0.00 C ATOM 223 CE LYS A 18 -9.335 8.768 4.150 1.00 0.00 C ATOM 224 NZ LYS A 18 -10.701 9.328 4.345 1.00 0.00 N ATOM 0 H LYS A 18 -4.331 8.746 5.209 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.667 8.979 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.817 10.305 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.858 11.163 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.247 9.526 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.905 8.333 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.979 10.161 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.711 10.741 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.315 8.167 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.095 8.101 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.390 8.551 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.727 9.880 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.941 9.945 3.543 1.00 0.00 H new ATOM 238 N LEU A 19 -2.645 10.394 2.006 1.00 0.00 N ATOM 239 CA LEU A 19 -1.560 11.326 1.720 1.00 0.00 C ATOM 240 C LEU A 19 -2.085 12.576 1.021 1.00 0.00 C ATOM 241 O LEU A 19 -3.027 12.508 0.232 1.00 0.00 O ATOM 242 CB LEU A 19 -0.496 10.651 0.852 1.00 0.00 C ATOM 243 CG LEU A 19 0.623 9.930 1.603 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.119 8.616 2.180 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.812 9.690 0.684 1.00 0.00 C ATOM 0 H LEU A 19 -2.751 9.647 1.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.111 11.624 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.991 9.932 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.046 11.408 0.209 1.00 0.00 H new ATOM 0 HG LEU A 19 0.948 10.564 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.930 8.117 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.701 8.813 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.234 7.975 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.600 9.176 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.500 9.077 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.189 10.646 0.319 1.00 0.00 H new ATOM 257 N SER A 20 -1.468 13.716 1.315 1.00 0.00 N ATOM 258 CA SER A 20 -1.875 14.982 0.716 1.00 0.00 C ATOM 259 C SER A 20 -0.666 15.741 0.179 1.00 0.00 C ATOM 260 O SER A 20 0.344 15.892 0.867 1.00 0.00 O ATOM 261 CB SER A 20 -2.617 15.841 1.742 1.00 0.00 C ATOM 262 OG SER A 20 -3.091 17.040 1.155 1.00 0.00 O ATOM 0 H SER A 20 -0.685 13.789 1.964 1.00 0.00 H new ATOM 0 HA SER A 20 -2.545 14.764 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.455 15.278 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.952 16.077 2.573 1.00 0.00 H new ATOM 0 HG SER A 20 -3.563 17.571 1.830 1.00 0.00 H new ATOM 268 N LYS A 21 -0.776 16.218 -1.056 1.00 0.00 N ATOM 269 CA LYS A 21 0.306 16.964 -1.689 1.00 0.00 C ATOM 270 C LYS A 21 -0.243 18.119 -2.520 1.00 0.00 C ATOM 271 O LYS A 21 -1.430 18.155 -2.840 1.00 0.00 O ATOM 272 CB LYS A 21 1.143 16.037 -2.573 1.00 0.00 C ATOM 273 CG LYS A 21 0.417 15.571 -3.824 1.00 0.00 C ATOM 274 CD LYS A 21 1.392 15.203 -4.930 1.00 0.00 C ATOM 275 CE LYS A 21 0.667 14.682 -6.161 1.00 0.00 C ATOM 276 NZ LYS A 21 0.009 15.778 -6.923 1.00 0.00 N ATOM 0 H LYS A 21 -1.604 16.101 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 21 0.939 17.375 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.057 16.554 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.442 15.166 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.205 14.709 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.250 16.359 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.986 16.077 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.086 14.445 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.376 14.165 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.082 13.950 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.015 15.603 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.185 16.686 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.397 15.812 -7.887 1.00 0.00 H new ATOM 290 N GLN A 22 0.630 19.059 -2.868 1.00 0.00 N ATOM 291 CA GLN A 22 0.232 20.214 -3.663 1.00 0.00 C ATOM 292 C GLN A 22 0.203 19.869 -5.148 1.00 0.00 C ATOM 293 O GLN A 22 0.569 18.763 -5.545 1.00 0.00 O ATOM 294 CB GLN A 22 1.188 21.383 -3.418 1.00 0.00 C ATOM 295 CG GLN A 22 1.104 21.952 -2.011 1.00 0.00 C ATOM 296 CD GLN A 22 2.048 21.263 -1.045 1.00 0.00 C ATOM 297 OE1 GLN A 22 3.263 21.259 -1.243 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.492 20.675 0.008 1.00 0.00 N ATOM 0 H GLN A 22 1.617 19.043 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.773 20.505 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.209 21.052 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.972 22.175 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.334 23.017 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.082 21.856 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.480 20.703 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.077 20.195 0.692 1.00 0.00 H new ATOM 307 N GLU A 23 -0.235 20.822 -5.964 1.00 0.00 N ATOM 308 CA GLU A 23 -0.312 20.617 -7.406 1.00 0.00 C ATOM 309 C GLU A 23 1.068 20.731 -8.047 1.00 0.00 C ATOM 310 O GLU A 23 1.409 21.757 -8.634 1.00 0.00 O ATOM 311 CB GLU A 23 -1.266 21.634 -8.038 1.00 0.00 C ATOM 312 CG GLU A 23 -2.610 21.725 -7.336 1.00 0.00 C ATOM 313 CD GLU A 23 -2.559 22.585 -6.087 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.188 23.772 -6.200 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.890 22.071 -4.999 1.00 0.00 O ATOM 0 H GLU A 23 -0.542 21.743 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.694 19.612 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.794 22.616 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.428 21.367 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.349 22.135 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.945 20.723 -7.069 1.00 0.00 H new ATOM 322 N GLY A 24 1.859 19.669 -7.928 1.00 0.00 N ATOM 323 CA GLY A 24 3.193 19.670 -8.500 1.00 0.00 C ATOM 324 C GLY A 24 4.273 19.504 -7.450 1.00 0.00 C ATOM 325 O GLY A 24 5.429 19.860 -7.679 1.00 0.00 O ATOM 0 H GLY A 24 1.600 18.808 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.273 18.864 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.354 20.604 -9.038 1.00 0.00 H new ATOM 329 N GLN A 25 3.896 18.965 -6.295 1.00 0.00 N ATOM 330 CA GLN A 25 4.842 18.756 -5.205 1.00 0.00 C ATOM 331 C GLN A 25 5.044 17.268 -4.937 1.00 0.00 C ATOM 332 O GLN A 25 4.122 16.469 -5.091 1.00 0.00 O ATOM 333 CB GLN A 25 4.351 19.453 -3.935 1.00 0.00 C ATOM 334 CG GLN A 25 5.369 19.446 -2.805 1.00 0.00 C ATOM 335 CD GLN A 25 6.436 20.510 -2.976 1.00 0.00 C ATOM 336 OE1 GLN A 25 6.256 21.657 -2.568 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.557 20.133 -3.581 1.00 0.00 N ATOM 0 H GLN A 25 2.943 18.665 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 25 5.799 19.186 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.092 20.485 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.438 18.966 -3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.855 19.601 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.843 18.466 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.664 19.171 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.311 20.805 -3.723 1.00 0.00 H new ATOM 346 N ASN A 26 6.258 16.904 -4.537 1.00 0.00 N ATOM 347 CA ASN A 26 6.581 15.511 -4.249 1.00 0.00 C ATOM 348 C ASN A 26 5.884 15.043 -2.975 1.00 0.00 C ATOM 349 O ASN A 26 5.290 15.841 -2.251 1.00 0.00 O ATOM 350 CB ASN A 26 8.095 15.336 -4.108 1.00 0.00 C ATOM 351 CG ASN A 26 8.868 16.159 -5.120 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.954 15.799 -6.294 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.436 17.271 -4.667 1.00 0.00 N ATOM 0 H ASN A 26 7.034 17.553 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 26 6.227 14.902 -5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.399 15.623 -3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.349 14.283 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.970 17.866 -5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.338 17.530 -3.685 1.00 0.00 H new ATOM 360 N TYR A 27 5.961 13.744 -2.709 1.00 0.00 N ATOM 361 CA TYR A 27 5.336 13.168 -1.524 1.00 0.00 C ATOM 362 C TYR A 27 6.368 12.924 -0.427 1.00 0.00 C ATOM 363 O TYR A 27 6.049 12.961 0.760 1.00 0.00 O ATOM 364 CB TYR A 27 4.632 11.857 -1.879 1.00 0.00 C ATOM 365 CG TYR A 27 3.190 12.037 -2.296 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.285 12.695 -1.473 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.733 11.550 -3.514 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.966 12.861 -1.850 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.417 11.712 -3.900 1.00 0.00 C ATOM 370 CZ TYR A 27 0.537 12.368 -3.064 1.00 0.00 C ATOM 371 OH TYR A 27 -0.775 12.533 -3.444 1.00 0.00 O ATOM 0 H TYR A 27 6.450 13.070 -3.298 1.00 0.00 H new ATOM 0 HA TYR A 27 4.599 13.879 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.177 11.369 -2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.672 11.189 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.618 13.084 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.419 11.036 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.275 13.374 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.079 11.327 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.207 13.185 -2.853 1.00 0.00 H new ATOM 381 N GLY A 28 7.608 12.674 -0.836 1.00 0.00 N ATOM 382 CA GLY A 28 8.670 12.428 0.123 1.00 0.00 C ATOM 383 C GLY A 28 9.095 10.974 0.156 1.00 0.00 C ATOM 384 O GLY A 28 10.255 10.665 0.428 1.00 0.00 O ATOM 0 H GLY A 28 7.896 12.637 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.531 13.049 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.336 12.728 1.116 1.00 0.00 H new ATOM 388 N PHE A 29 8.154 10.077 -0.120 1.00 0.00 N ATOM 389 CA PHE A 29 8.437 8.646 -0.118 1.00 0.00 C ATOM 390 C PHE A 29 8.422 8.087 -1.538 1.00 0.00 C ATOM 391 O PHE A 29 7.928 8.729 -2.465 1.00 0.00 O ATOM 392 CB PHE A 29 7.415 7.904 0.745 1.00 0.00 C ATOM 393 CG PHE A 29 6.180 7.494 -0.006 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.274 8.445 -0.447 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.926 6.158 -0.271 1.00 0.00 C ATOM 396 CE1 PHE A 29 4.137 8.071 -1.139 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.792 5.778 -0.963 1.00 0.00 C ATOM 398 CZ PHE A 29 3.895 6.736 -1.396 1.00 0.00 C ATOM 0 H PHE A 29 7.189 10.316 -0.348 1.00 0.00 H new ATOM 0 HA PHE A 29 9.432 8.498 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.885 7.016 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.127 8.541 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.458 9.490 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.622 5.405 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.439 8.822 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.607 4.733 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.006 6.441 -1.934 1.00 0.00 H new ATOM 408 N PHE A 30 8.967 6.886 -1.700 1.00 0.00 N ATOM 409 CA PHE A 30 9.019 6.240 -3.006 1.00 0.00 C ATOM 410 C PHE A 30 8.648 4.764 -2.898 1.00 0.00 C ATOM 411 O PHE A 30 8.643 4.192 -1.807 1.00 0.00 O ATOM 412 CB PHE A 30 10.415 6.383 -3.615 1.00 0.00 C ATOM 413 CG PHE A 30 10.747 7.788 -4.031 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.261 8.305 -5.221 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.544 8.591 -3.232 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.564 9.597 -5.607 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.850 9.884 -3.612 1.00 0.00 C ATOM 418 CZ PHE A 30 11.361 10.387 -4.802 1.00 0.00 C ATOM 0 H PHE A 30 9.379 6.340 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 30 8.295 6.732 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.155 6.043 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.493 5.728 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.638 7.691 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.931 8.202 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.178 9.988 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.471 10.501 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.601 11.396 -5.102 1.00 0.00 H new ATOM 428 N LEU A 31 8.337 4.153 -4.036 1.00 0.00 N ATOM 429 CA LEU A 31 7.963 2.743 -4.070 1.00 0.00 C ATOM 430 C LEU A 31 9.130 1.882 -4.543 1.00 0.00 C ATOM 431 O LEU A 31 9.411 1.802 -5.739 1.00 0.00 O ATOM 432 CB LEU A 31 6.758 2.537 -4.989 1.00 0.00 C ATOM 433 CG LEU A 31 5.415 3.038 -4.456 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.469 3.354 -5.605 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.795 2.009 -3.521 1.00 0.00 C ATOM 0 H LEU A 31 8.336 4.612 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 31 7.697 2.438 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.959 3.036 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.667 1.472 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 31 5.589 3.955 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.519 3.709 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.909 4.126 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.301 2.454 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.840 2.382 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.635 1.076 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.465 1.831 -2.680 1.00 0.00 H new ATOM 447 N ARG A 32 9.806 1.239 -3.596 1.00 0.00 N ATOM 448 CA ARG A 32 10.942 0.383 -3.916 1.00 0.00 C ATOM 449 C ARG A 32 10.549 -1.089 -3.849 1.00 0.00 C ATOM 450 O ARG A 32 9.798 -1.502 -2.964 1.00 0.00 O ATOM 451 CB ARG A 32 12.101 0.658 -2.956 1.00 0.00 C ATOM 452 CG ARG A 32 12.690 2.052 -3.094 1.00 0.00 C ATOM 453 CD ARG A 32 13.535 2.177 -4.353 1.00 0.00 C ATOM 454 NE ARG A 32 14.720 1.325 -4.303 1.00 0.00 N ATOM 455 CZ ARG A 32 15.801 1.525 -5.049 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.845 2.543 -5.898 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.840 0.707 -4.947 1.00 0.00 N ATOM 0 H ARG A 32 9.587 1.295 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 32 11.261 0.610 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.754 0.519 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.887 -0.078 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.886 2.787 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.301 2.278 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.933 1.910 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.840 3.215 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 32 14.718 0.533 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.048 3.174 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.676 2.695 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.810 -0.077 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.669 0.862 -5.520 1.00 0.00 H new ATOM 471 N ILE A 33 11.062 -1.877 -4.789 1.00 0.00 N ATOM 472 CA ILE A 33 10.764 -3.303 -4.835 1.00 0.00 C ATOM 473 C ILE A 33 12.040 -4.134 -4.740 1.00 0.00 C ATOM 474 O ILE A 33 13.084 -3.746 -5.262 1.00 0.00 O ATOM 475 CB ILE A 33 10.015 -3.680 -6.127 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.850 -3.309 -7.354 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.660 -2.990 -6.173 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.830 -4.386 -7.765 1.00 0.00 C ATOM 0 H ILE A 33 11.685 -1.552 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 33 10.126 -3.520 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 33 9.853 -4.758 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.181 -3.100 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.398 -2.390 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.142 -3.266 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.065 -3.300 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.801 -1.909 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.388 -4.055 -8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.522 -4.580 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.287 -5.300 -8.005 1.00 0.00 H new ATOM 490 N GLU A 34 11.945 -5.279 -4.072 1.00 0.00 N ATOM 491 CA GLU A 34 13.092 -6.165 -3.910 1.00 0.00 C ATOM 492 C GLU A 34 12.842 -7.508 -4.590 1.00 0.00 C ATOM 493 O GLU A 34 11.707 -7.846 -4.924 1.00 0.00 O ATOM 494 CB GLU A 34 13.392 -6.381 -2.425 1.00 0.00 C ATOM 495 CG GLU A 34 14.257 -5.292 -1.814 1.00 0.00 C ATOM 496 CD GLU A 34 14.914 -5.727 -0.518 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.312 -6.906 -0.421 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.031 -4.887 0.398 1.00 0.00 O ATOM 0 H GLU A 34 11.087 -5.615 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 34 13.953 -5.693 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.451 -6.436 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.890 -7.342 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.028 -5.002 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.646 -4.409 -1.628 1.00 0.00 H new ATOM 505 N LYS A 35 13.912 -8.269 -4.794 1.00 0.00 N ATOM 506 CA LYS A 35 13.812 -9.575 -5.433 1.00 0.00 C ATOM 507 C LYS A 35 13.302 -10.625 -4.451 1.00 0.00 C ATOM 508 O LYS A 35 13.882 -10.822 -3.383 1.00 0.00 O ATOM 509 CB LYS A 35 15.173 -10.000 -5.989 1.00 0.00 C ATOM 510 CG LYS A 35 15.585 -9.238 -7.237 1.00 0.00 C ATOM 511 CD LYS A 35 16.687 -9.961 -7.993 1.00 0.00 C ATOM 512 CE LYS A 35 18.060 -9.633 -7.426 1.00 0.00 C ATOM 513 NZ LYS A 35 19.154 -10.235 -8.238 1.00 0.00 N ATOM 0 H LYS A 35 14.859 -8.003 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 35 13.100 -9.495 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.931 -9.857 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.147 -11.066 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.720 -9.109 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.927 -8.241 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.519 -11.037 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.651 -9.682 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.189 -8.551 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.126 -9.997 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.073 -9.988 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.046 -11.269 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.107 -9.868 -9.210 1.00 0.00 H new ATOM 527 N ASP A 36 12.217 -11.296 -4.819 1.00 0.00 N ATOM 528 CA ASP A 36 11.631 -12.327 -3.970 1.00 0.00 C ATOM 529 C ASP A 36 10.932 -11.707 -2.765 1.00 0.00 C ATOM 530 O ASP A 36 11.117 -12.149 -1.630 1.00 0.00 O ATOM 531 CB ASP A 36 12.709 -13.306 -3.503 1.00 0.00 C ATOM 532 CG ASP A 36 12.127 -14.620 -3.018 1.00 0.00 C ATOM 533 OD1 ASP A 36 11.594 -15.377 -3.856 1.00 0.00 O ATOM 534 OD2 ASP A 36 12.205 -14.890 -1.801 1.00 0.00 O ATOM 0 H ASP A 36 11.725 -11.145 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 36 10.889 -12.868 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.400 -13.499 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.287 -12.849 -2.700 1.00 0.00 H new ATOM 539 N THR A 37 10.128 -10.678 -3.017 1.00 0.00 N ATOM 540 CA THR A 37 9.404 -9.995 -1.953 1.00 0.00 C ATOM 541 C THR A 37 7.960 -9.721 -2.359 1.00 0.00 C ATOM 542 O THR A 37 7.692 -9.295 -3.482 1.00 0.00 O ATOM 543 CB THR A 37 10.081 -8.664 -1.576 1.00 0.00 C ATOM 544 OG1 THR A 37 9.757 -8.314 -0.226 1.00 0.00 O ATOM 545 CG2 THR A 37 9.641 -7.549 -2.514 1.00 0.00 C ATOM 0 H THR A 37 9.962 -10.300 -3.950 1.00 0.00 H new ATOM 0 HA THR A 37 9.416 -10.657 -1.087 1.00 0.00 H new ATOM 0 HB THR A 37 11.160 -8.791 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.495 -7.802 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.132 -6.619 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.915 -7.805 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.560 -7.424 -2.449 1.00 0.00 H new ATOM 553 N ASP A 38 7.035 -9.967 -1.438 1.00 0.00 N ATOM 554 CA ASP A 38 5.617 -9.745 -1.700 1.00 0.00 C ATOM 555 C ASP A 38 5.229 -8.301 -1.399 1.00 0.00 C ATOM 556 O ASP A 38 5.822 -7.655 -0.535 1.00 0.00 O ATOM 557 CB ASP A 38 4.766 -10.700 -0.862 1.00 0.00 C ATOM 558 CG ASP A 38 3.375 -10.888 -1.434 1.00 0.00 C ATOM 559 OD1 ASP A 38 3.225 -10.808 -2.671 1.00 0.00 O ATOM 560 OD2 ASP A 38 2.435 -11.117 -0.644 1.00 0.00 O ATOM 0 H ASP A 38 7.241 -10.320 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 38 5.433 -9.939 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.264 -11.667 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.689 -10.316 0.155 1.00 0.00 H new ATOM 565 N GLY A 39 4.230 -7.799 -2.118 1.00 0.00 N ATOM 566 CA GLY A 39 3.781 -6.435 -1.914 1.00 0.00 C ATOM 567 C GLY A 39 4.878 -5.419 -2.165 1.00 0.00 C ATOM 568 O GLY A 39 6.056 -5.771 -2.233 1.00 0.00 O ATOM 0 H GLY A 39 3.723 -8.313 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.941 -6.229 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.415 -6.325 -0.893 1.00 0.00 H new ATOM 572 N HIS A 40 4.492 -4.155 -2.305 1.00 0.00 N ATOM 573 CA HIS A 40 5.452 -3.085 -2.551 1.00 0.00 C ATOM 574 C HIS A 40 6.004 -2.538 -1.238 1.00 0.00 C ATOM 575 O HIS A 40 5.248 -2.217 -0.321 1.00 0.00 O ATOM 576 CB HIS A 40 4.798 -1.959 -3.352 1.00 0.00 C ATOM 577 CG HIS A 40 4.736 -2.229 -4.824 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.580 -1.630 -5.736 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.925 -3.041 -5.542 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.289 -2.061 -6.950 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.288 -2.918 -6.860 1.00 0.00 N ATOM 0 H HIS A 40 3.521 -3.847 -2.252 1.00 0.00 H new ATOM 0 HA HIS A 40 6.279 -3.498 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.787 -1.798 -2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.352 -1.035 -3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.138 -3.669 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.785 -1.763 -7.862 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.855 -3.409 -7.643 1.00 0.00 H new ATOM 590 N LEU A 41 7.326 -2.433 -1.156 1.00 0.00 N ATOM 591 CA LEU A 41 7.979 -1.925 0.045 1.00 0.00 C ATOM 592 C LEU A 41 8.168 -0.414 -0.036 1.00 0.00 C ATOM 593 O LEU A 41 8.613 0.112 -1.057 1.00 0.00 O ATOM 594 CB LEU A 41 9.333 -2.610 0.242 1.00 0.00 C ATOM 595 CG LEU A 41 9.293 -4.017 0.840 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.110 -5.057 -0.255 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.560 -4.294 1.635 1.00 0.00 C ATOM 0 H LEU A 41 7.966 -2.693 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 41 7.339 -2.147 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.835 -2.662 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.946 -1.980 0.887 1.00 0.00 H new ATOM 0 HG LEU A 41 8.442 -4.080 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.084 -6.052 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.174 -4.870 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.941 -4.995 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.514 -5.299 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.426 -4.213 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.648 -3.568 2.443 1.00 0.00 H new ATOM 609 N ILE A 42 7.830 0.278 1.047 1.00 0.00 N ATOM 610 CA ILE A 42 7.966 1.729 1.099 1.00 0.00 C ATOM 611 C ILE A 42 9.278 2.135 1.761 1.00 0.00 C ATOM 612 O ILE A 42 9.439 2.005 2.974 1.00 0.00 O ATOM 613 CB ILE A 42 6.796 2.377 1.864 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.484 2.167 1.105 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.060 3.860 2.077 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.254 2.311 1.974 1.00 0.00 C ATOM 0 H ILE A 42 7.460 -0.142 1.900 1.00 0.00 H new ATOM 0 HA ILE A 42 7.957 2.084 0.068 1.00 0.00 H new ATOM 0 HB ILE A 42 6.710 1.900 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.428 2.886 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.488 1.174 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.225 4.304 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.976 3.987 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.169 4.353 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.361 2.149 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.287 1.575 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.226 3.313 2.402 1.00 0.00 H new ATOM 628 N ARG A 43 10.213 2.628 0.955 1.00 0.00 N ATOM 629 CA ARG A 43 11.512 3.053 1.462 1.00 0.00 C ATOM 630 C ARG A 43 11.832 4.476 1.012 1.00 0.00 C ATOM 631 O ARG A 43 11.189 5.011 0.109 1.00 0.00 O ATOM 632 CB ARG A 43 12.607 2.098 0.987 1.00 0.00 C ATOM 633 CG ARG A 43 12.317 0.637 1.292 1.00 0.00 C ATOM 634 CD ARG A 43 12.866 0.233 2.652 1.00 0.00 C ATOM 635 NE ARG A 43 14.323 0.309 2.698 1.00 0.00 N ATOM 636 CZ ARG A 43 15.059 -0.259 3.647 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.476 -0.943 4.622 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.381 -0.145 3.621 1.00 0.00 N ATOM 0 H ARG A 43 10.095 2.743 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 43 11.472 3.035 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.739 2.216 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.550 2.378 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.241 0.465 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.758 0.008 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.445 0.881 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.548 -0.784 2.884 1.00 0.00 H new ATOM 0 HE ARG A 43 14.802 0.827 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.460 -1.034 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.043 -1.378 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.833 0.379 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.945 -0.582 4.350 1.00 0.00 H new ATOM 652 N VAL A 44 12.829 5.082 1.648 1.00 0.00 N ATOM 653 CA VAL A 44 13.235 6.442 1.312 1.00 0.00 C ATOM 654 C VAL A 44 12.178 7.453 1.742 1.00 0.00 C ATOM 655 O VAL A 44 11.767 8.307 0.957 1.00 0.00 O ATOM 656 CB VAL A 44 13.491 6.594 -0.199 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.224 7.895 -0.488 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.274 5.403 -0.729 1.00 0.00 C ATOM 0 H VAL A 44 13.371 4.653 2.399 1.00 0.00 H new ATOM 0 HA VAL A 44 14.162 6.638 1.851 1.00 0.00 H new ATOM 0 HB VAL A 44 12.529 6.625 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.396 7.985 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.621 8.736 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.181 7.897 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.446 5.527 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.232 5.338 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.706 4.489 -0.557 1.00 0.00 H new ATOM 668 N ILE A 45 11.743 7.350 2.993 1.00 0.00 N ATOM 669 CA ILE A 45 10.735 8.257 3.528 1.00 0.00 C ATOM 670 C ILE A 45 11.377 9.517 4.099 1.00 0.00 C ATOM 671 O ILE A 45 11.788 9.545 5.258 1.00 0.00 O ATOM 672 CB ILE A 45 9.895 7.579 4.627 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.159 6.364 4.060 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.908 8.571 5.226 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.478 5.522 5.117 1.00 0.00 C ATOM 0 H ILE A 45 12.073 6.648 3.655 1.00 0.00 H new ATOM 0 HA ILE A 45 10.082 8.529 2.698 1.00 0.00 H new ATOM 0 HB ILE A 45 10.564 7.239 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.413 6.704 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.868 5.742 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.321 8.078 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.453 9.409 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.242 8.938 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.976 4.678 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.222 5.152 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.744 6.128 5.648 1.00 0.00 H new ATOM 687 N GLU A 46 11.457 10.558 3.276 1.00 0.00 N ATOM 688 CA GLU A 46 12.047 11.822 3.700 1.00 0.00 C ATOM 689 C GLU A 46 11.422 12.304 5.006 1.00 0.00 C ATOM 690 O GLU A 46 10.249 12.048 5.275 1.00 0.00 O ATOM 691 CB GLU A 46 11.868 12.885 2.614 1.00 0.00 C ATOM 692 CG GLU A 46 12.937 13.964 2.635 1.00 0.00 C ATOM 693 CD GLU A 46 14.342 13.394 2.621 1.00 0.00 C ATOM 694 OE1 GLU A 46 14.643 12.579 1.725 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.141 13.765 3.507 1.00 0.00 O ATOM 0 H GLU A 46 11.121 10.551 2.313 1.00 0.00 H new ATOM 0 HA GLU A 46 13.112 11.658 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.873 12.399 1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.890 13.352 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.805 14.617 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.808 14.581 3.524 1.00 0.00 H new ATOM 702 N GLU A 47 12.215 13.002 5.813 1.00 0.00 N ATOM 703 CA GLU A 47 11.739 13.519 7.091 1.00 0.00 C ATOM 704 C GLU A 47 10.800 14.704 6.884 1.00 0.00 C ATOM 705 O GLU A 47 10.912 15.434 5.900 1.00 0.00 O ATOM 706 CB GLU A 47 12.920 13.937 7.969 1.00 0.00 C ATOM 707 CG GLU A 47 12.645 13.815 9.458 1.00 0.00 C ATOM 708 CD GLU A 47 11.846 14.984 10.002 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.310 16.135 9.860 1.00 0.00 O ATOM 710 OE2 GLU A 47 10.759 14.748 10.568 1.00 0.00 O ATOM 0 H GLU A 47 13.189 13.222 5.605 1.00 0.00 H new ATOM 0 HA GLU A 47 11.187 12.724 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.785 13.323 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.184 14.969 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.103 12.889 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.592 13.746 9.994 1.00 0.00 H new ATOM 717 N GLY A 48 9.873 14.888 7.819 1.00 0.00 N ATOM 718 CA GLY A 48 8.928 15.984 7.721 1.00 0.00 C ATOM 719 C GLY A 48 8.156 15.970 6.416 1.00 0.00 C ATOM 720 O GLY A 48 7.738 17.017 5.922 1.00 0.00 O ATOM 0 H GLY A 48 9.760 14.297 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.227 15.931 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.462 16.930 7.813 1.00 0.00 H new ATOM 724 N SER A 49 7.969 14.779 5.855 1.00 0.00 N ATOM 725 CA SER A 49 7.247 14.633 4.596 1.00 0.00 C ATOM 726 C SER A 49 5.786 14.271 4.846 1.00 0.00 C ATOM 727 O SER A 49 5.428 13.709 5.881 1.00 0.00 O ATOM 728 CB SER A 49 7.908 13.562 3.726 1.00 0.00 C ATOM 729 OG SER A 49 7.357 12.283 3.986 1.00 0.00 O ATOM 0 H SER A 49 8.307 13.902 6.252 1.00 0.00 H new ATOM 0 HA SER A 49 7.282 15.589 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.776 13.811 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.981 13.545 3.917 1.00 0.00 H new ATOM 0 HG SER A 49 7.795 11.616 3.417 1.00 0.00 H new ATOM 735 N PRO A 50 4.922 14.601 3.875 1.00 0.00 N ATOM 736 CA PRO A 50 3.486 14.320 3.965 1.00 0.00 C ATOM 737 C PRO A 50 3.179 12.829 3.867 1.00 0.00 C ATOM 738 O PRO A 50 2.041 12.406 4.064 1.00 0.00 O ATOM 739 CB PRO A 50 2.902 15.066 2.762 1.00 0.00 C ATOM 740 CG PRO A 50 4.027 15.155 1.789 1.00 0.00 C ATOM 741 CD PRO A 50 5.279 15.272 2.614 1.00 0.00 C ATOM 0 HA PRO A 50 3.069 14.634 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.053 14.530 2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.544 16.056 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.061 14.272 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.909 16.018 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.127 14.789 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.556 16.313 2.778 1.00 0.00 H new ATOM 749 N ALA A 51 4.202 12.038 3.562 1.00 0.00 N ATOM 750 CA ALA A 51 4.042 10.595 3.440 1.00 0.00 C ATOM 751 C ALA A 51 4.156 9.913 4.800 1.00 0.00 C ATOM 752 O ALA A 51 3.518 8.890 5.046 1.00 0.00 O ATOM 753 CB ALA A 51 5.075 10.028 2.476 1.00 0.00 C ATOM 0 H ALA A 51 5.151 12.373 3.395 1.00 0.00 H new ATOM 0 HA ALA A 51 3.045 10.398 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.943 8.949 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.946 10.484 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.077 10.244 2.847 1.00 0.00 H new ATOM 759 N GLU A 52 4.972 10.488 5.678 1.00 0.00 N ATOM 760 CA GLU A 52 5.169 9.933 7.012 1.00 0.00 C ATOM 761 C GLU A 52 4.045 10.362 7.951 1.00 0.00 C ATOM 762 O GLU A 52 3.506 9.551 8.705 1.00 0.00 O ATOM 763 CB GLU A 52 6.519 10.378 7.579 1.00 0.00 C ATOM 764 CG GLU A 52 6.781 9.877 8.990 1.00 0.00 C ATOM 765 CD GLU A 52 6.996 8.377 9.045 1.00 0.00 C ATOM 766 OE1 GLU A 52 7.477 7.809 8.043 1.00 0.00 O ATOM 767 OE2 GLU A 52 6.682 7.771 10.091 1.00 0.00 O ATOM 0 H GLU A 52 5.506 11.336 5.490 1.00 0.00 H new ATOM 0 HA GLU A 52 5.157 8.846 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.314 10.023 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.564 11.467 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.659 10.381 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.939 10.143 9.629 1.00 0.00 H new ATOM 774 N LYS A 53 3.695 11.643 7.900 1.00 0.00 N ATOM 775 CA LYS A 53 2.636 12.182 8.744 1.00 0.00 C ATOM 776 C LYS A 53 1.452 11.222 8.810 1.00 0.00 C ATOM 777 O LYS A 53 0.698 11.219 9.783 1.00 0.00 O ATOM 778 CB LYS A 53 2.174 13.541 8.213 1.00 0.00 C ATOM 779 CG LYS A 53 1.419 13.456 6.898 1.00 0.00 C ATOM 780 CD LYS A 53 0.505 14.655 6.702 1.00 0.00 C ATOM 781 CE LYS A 53 -0.700 14.302 5.843 1.00 0.00 C ATOM 782 NZ LYS A 53 -0.400 14.426 4.389 1.00 0.00 N ATOM 0 H LYS A 53 4.130 12.328 7.282 1.00 0.00 H new ATOM 0 HA LYS A 53 3.036 12.309 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.536 14.015 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.044 14.185 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.129 13.399 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.829 12.540 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.167 15.019 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.062 15.466 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.017 13.282 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.533 14.957 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.246 14.177 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.122 15.405 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.378 13.783 4.139 1.00 0.00 H new ATOM 796 N ALA A 54 1.297 10.409 7.771 1.00 0.00 N ATOM 797 CA ALA A 54 0.207 9.442 7.714 1.00 0.00 C ATOM 798 C ALA A 54 0.572 8.159 8.453 1.00 0.00 C ATOM 799 O ALA A 54 0.116 7.074 8.095 1.00 0.00 O ATOM 800 CB ALA A 54 -0.151 9.136 6.267 1.00 0.00 C ATOM 0 H ALA A 54 1.912 10.400 6.957 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.661 9.880 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.966 8.413 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.463 10.053 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.719 8.722 5.757 1.00 0.00 H new ATOM 806 N GLY A 55 1.399 8.291 9.486 1.00 0.00 N ATOM 807 CA GLY A 55 1.811 7.134 10.259 1.00 0.00 C ATOM 808 C GLY A 55 2.440 6.057 9.398 1.00 0.00 C ATOM 809 O GLY A 55 2.429 4.879 9.758 1.00 0.00 O ATOM 0 H GLY A 55 1.791 9.178 9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.523 7.446 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.946 6.721 10.778 1.00 0.00 H new ATOM 813 N LEU A 56 2.988 6.458 8.256 1.00 0.00 N ATOM 814 CA LEU A 56 3.623 5.518 7.340 1.00 0.00 C ATOM 815 C LEU A 56 4.992 5.091 7.860 1.00 0.00 C ATOM 816 O LEU A 56 5.854 5.929 8.129 1.00 0.00 O ATOM 817 CB LEU A 56 3.765 6.144 5.952 1.00 0.00 C ATOM 818 CG LEU A 56 3.929 5.167 4.787 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.591 4.541 4.423 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.537 5.870 3.582 1.00 0.00 C ATOM 0 H LEU A 56 3.005 7.428 7.943 1.00 0.00 H new ATOM 0 HA LEU A 56 2.989 4.634 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.886 6.760 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.626 6.812 5.963 1.00 0.00 H new ATOM 0 HG LEU A 56 4.606 4.372 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.727 3.849 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.196 4.002 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.890 5.324 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.646 5.159 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.885 6.686 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.516 6.269 3.849 1.00 0.00 H new ATOM 832 N LEU A 57 5.186 3.784 7.997 1.00 0.00 N ATOM 833 CA LEU A 57 6.452 3.245 8.483 1.00 0.00 C ATOM 834 C LEU A 57 7.311 2.746 7.325 1.00 0.00 C ATOM 835 O LEU A 57 6.792 2.289 6.306 1.00 0.00 O ATOM 836 CB LEU A 57 6.198 2.108 9.473 1.00 0.00 C ATOM 837 CG LEU A 57 6.074 2.512 10.942 1.00 0.00 C ATOM 838 CD1 LEU A 57 4.708 3.121 11.215 1.00 0.00 C ATOM 839 CD2 LEU A 57 6.316 1.312 11.847 1.00 0.00 C ATOM 0 H LEU A 57 4.483 3.078 7.779 1.00 0.00 H new ATOM 0 HA LEU A 57 6.990 4.046 8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.282 1.595 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.010 1.386 9.383 1.00 0.00 H new ATOM 0 HG LEU A 57 6.833 3.264 11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.638 3.402 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.573 4.006 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.932 2.392 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.224 1.618 12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.580 0.538 11.629 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.318 0.920 11.671 1.00 0.00 H new ATOM 851 N ASP A 58 8.626 2.834 7.490 1.00 0.00 N ATOM 852 CA ASP A 58 9.557 2.387 6.461 1.00 0.00 C ATOM 853 C ASP A 58 9.564 0.865 6.357 1.00 0.00 C ATOM 854 O ASP A 58 9.857 0.168 7.328 1.00 0.00 O ATOM 855 CB ASP A 58 10.967 2.897 6.763 1.00 0.00 C ATOM 856 CG ASP A 58 11.838 2.960 5.524 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.562 3.805 4.647 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.797 2.165 5.432 1.00 0.00 O ATOM 0 H ASP A 58 9.071 3.211 8.327 1.00 0.00 H new ATOM 0 HA ASP A 58 9.228 2.796 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.903 3.889 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.436 2.245 7.500 1.00 0.00 H new ATOM 863 N GLY A 59 9.238 0.356 5.173 1.00 0.00 N ATOM 864 CA GLY A 59 9.212 -1.080 4.964 1.00 0.00 C ATOM 865 C GLY A 59 7.805 -1.614 4.788 1.00 0.00 C ATOM 866 O GLY A 59 7.603 -2.658 4.167 1.00 0.00 O ATOM 0 H GLY A 59 8.991 0.913 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.804 -1.327 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.682 -1.576 5.813 1.00 0.00 H new ATOM 870 N ASP A 60 6.829 -0.899 5.336 1.00 0.00 N ATOM 871 CA ASP A 60 5.432 -1.307 5.236 1.00 0.00 C ATOM 872 C ASP A 60 5.087 -1.720 3.809 1.00 0.00 C ATOM 873 O ASP A 60 5.764 -1.328 2.858 1.00 0.00 O ATOM 874 CB ASP A 60 4.513 -0.172 5.688 1.00 0.00 C ATOM 875 CG ASP A 60 3.221 -0.680 6.297 1.00 0.00 C ATOM 876 OD1 ASP A 60 2.864 -1.848 6.039 1.00 0.00 O ATOM 877 OD2 ASP A 60 2.567 0.090 7.032 1.00 0.00 O ATOM 0 H ASP A 60 6.979 -0.033 5.854 1.00 0.00 H new ATOM 0 HA ASP A 60 5.283 -2.166 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.036 0.447 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.283 0.466 4.835 1.00 0.00 H new ATOM 882 N ARG A 61 4.032 -2.515 3.667 1.00 0.00 N ATOM 883 CA ARG A 61 3.599 -2.983 2.356 1.00 0.00 C ATOM 884 C ARG A 61 2.220 -2.429 2.009 1.00 0.00 C ATOM 885 O ARG A 61 1.336 -2.355 2.863 1.00 0.00 O ATOM 886 CB ARG A 61 3.569 -4.512 2.321 1.00 0.00 C ATOM 887 CG ARG A 61 4.882 -5.136 1.875 1.00 0.00 C ATOM 888 CD ARG A 61 5.801 -5.404 3.056 1.00 0.00 C ATOM 889 NE ARG A 61 7.000 -6.139 2.661 1.00 0.00 N ATOM 890 CZ ARG A 61 6.988 -7.405 2.261 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.844 -8.075 2.204 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.120 -8.005 1.918 1.00 0.00 N ATOM 0 H ARG A 61 3.461 -2.849 4.444 1.00 0.00 H new ATOM 0 HA ARG A 61 4.313 -2.623 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.318 -4.885 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.775 -4.836 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.682 -6.070 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.380 -4.472 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.090 -4.457 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.261 -5.972 3.814 1.00 0.00 H new ATOM 0 HE ARG A 61 7.896 -5.653 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.971 -7.617 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.837 -9.047 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.002 -7.494 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.109 -8.978 1.611 1.00 0.00 H new ATOM 906 N VAL A 62 2.043 -2.041 0.750 1.00 0.00 N ATOM 907 CA VAL A 62 0.772 -1.494 0.290 1.00 0.00 C ATOM 908 C VAL A 62 -0.092 -2.576 -0.349 1.00 0.00 C ATOM 909 O VAL A 62 0.355 -3.296 -1.242 1.00 0.00 O ATOM 910 CB VAL A 62 0.985 -0.357 -0.726 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.128 -0.693 -1.673 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.296 -0.086 -1.500 1.00 0.00 C ATOM 0 H VAL A 62 2.764 -2.095 0.030 1.00 0.00 H new ATOM 0 HA VAL A 62 0.262 -1.096 1.168 1.00 0.00 H new ATOM 0 HB VAL A 62 1.251 0.548 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.263 0.122 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.045 -0.832 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.895 -1.610 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.126 0.721 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.595 -0.987 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.086 0.203 -0.807 1.00 0.00 H new ATOM 922 N LEU A 63 -1.333 -2.684 0.115 1.00 0.00 N ATOM 923 CA LEU A 63 -2.262 -3.678 -0.411 1.00 0.00 C ATOM 924 C LEU A 63 -2.980 -3.151 -1.649 1.00 0.00 C ATOM 925 O LEU A 63 -2.954 -3.777 -2.708 1.00 0.00 O ATOM 926 CB LEU A 63 -3.284 -4.067 0.659 1.00 0.00 C ATOM 927 CG LEU A 63 -2.710 -4.517 2.003 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.665 -4.170 3.134 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.420 -6.010 1.986 1.00 0.00 C ATOM 0 H LEU A 63 -1.718 -2.096 0.854 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.689 -4.561 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.940 -3.214 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.905 -4.871 0.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.772 -3.987 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.240 -4.498 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.822 -3.092 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.619 -4.672 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.012 -6.312 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.343 -6.558 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.697 -6.231 1.201 1.00 0.00 H new ATOM 941 N ARG A 64 -3.620 -1.994 -1.508 1.00 0.00 N ATOM 942 CA ARG A 64 -4.344 -1.382 -2.615 1.00 0.00 C ATOM 943 C ARG A 64 -3.962 0.088 -2.768 1.00 0.00 C ATOM 944 O ARG A 64 -3.809 0.806 -1.780 1.00 0.00 O ATOM 945 CB ARG A 64 -5.853 -1.507 -2.396 1.00 0.00 C ATOM 946 CG ARG A 64 -6.346 -2.944 -2.355 1.00 0.00 C ATOM 947 CD ARG A 64 -7.862 -3.016 -2.446 1.00 0.00 C ATOM 948 NE ARG A 64 -8.333 -4.384 -2.649 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.555 -4.684 -3.076 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.423 -3.718 -3.343 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.910 -5.952 -3.237 1.00 0.00 N ATOM 0 H ARG A 64 -3.651 -1.462 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.071 -1.908 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.118 -1.014 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.372 -0.976 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.904 -3.505 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.013 -3.418 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.300 -2.614 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.206 -2.388 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.689 -5.150 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.153 -2.742 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.360 -3.951 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.245 -6.698 -3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.848 -6.181 -3.565 1.00 0.00 H new ATOM 965 N ILE A 65 -3.808 0.526 -4.013 1.00 0.00 N ATOM 966 CA ILE A 65 -3.444 1.909 -4.295 1.00 0.00 C ATOM 967 C ILE A 65 -4.608 2.667 -4.925 1.00 0.00 C ATOM 968 O ILE A 65 -5.118 2.278 -5.975 1.00 0.00 O ATOM 969 CB ILE A 65 -2.226 1.991 -5.233 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.556 3.362 -5.118 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.645 1.719 -6.670 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.518 4.519 -5.270 1.00 0.00 C ATOM 0 H ILE A 65 -3.929 -0.056 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.189 2.368 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.505 1.230 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.062 3.436 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.780 3.443 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.773 1.781 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.080 0.722 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.382 2.459 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.974 5.459 -5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.994 4.470 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.280 4.463 -4.493 1.00 0.00 H new ATOM 984 N ASN A 66 -5.022 3.751 -4.277 1.00 0.00 N ATOM 985 CA ASN A 66 -6.126 4.564 -4.775 1.00 0.00 C ATOM 986 C ASN A 66 -7.327 3.692 -5.130 1.00 0.00 C ATOM 987 O ASN A 66 -8.153 4.065 -5.962 1.00 0.00 O ATOM 988 CB ASN A 66 -5.683 5.366 -6.000 1.00 0.00 C ATOM 989 CG ASN A 66 -6.566 6.573 -6.251 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.272 6.642 -7.258 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.531 7.532 -5.333 1.00 0.00 N ATOM 0 H ASN A 66 -4.610 4.087 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.422 5.254 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.653 5.695 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.697 4.720 -6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.104 8.368 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.931 7.432 -4.514 1.00 0.00 H new ATOM 998 N GLY A 67 -7.416 2.529 -4.492 1.00 0.00 N ATOM 999 CA GLY A 67 -8.519 1.623 -4.754 1.00 0.00 C ATOM 1000 C GLY A 67 -8.207 0.633 -5.858 1.00 0.00 C ATOM 1001 O GLY A 67 -9.102 0.196 -6.581 1.00 0.00 O ATOM 0 H GLY A 67 -6.745 2.198 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.763 1.079 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.402 2.200 -5.027 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.933 0.279 -5.991 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.504 -0.665 -7.016 1.00 0.00 C ATOM 1007 C VAL A 68 -5.488 -1.656 -6.459 1.00 0.00 C ATOM 1008 O VAL A 68 -4.371 -1.282 -6.101 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.886 0.062 -8.225 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.413 -0.941 -9.266 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.886 1.036 -8.828 1.00 0.00 C ATOM 0 H VAL A 68 -6.179 0.632 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.393 -1.205 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.021 0.630 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.979 -0.409 -10.113 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.661 -1.596 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.259 -1.538 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.433 1.541 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.771 0.492 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.172 1.775 -8.079 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.883 -2.923 -6.390 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.007 -3.970 -5.877 1.00 0.00 C ATOM 1023 C PHE A 69 -3.699 -4.018 -6.661 1.00 0.00 C ATOM 1024 O PHE A 69 -3.681 -4.379 -7.838 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.706 -5.329 -5.946 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.029 -6.394 -5.131 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.093 -6.371 -3.747 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.330 -7.418 -5.749 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.470 -7.349 -2.995 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -3.705 -8.399 -5.003 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.776 -8.365 -3.624 1.00 0.00 C ATOM 0 H PHE A 69 -6.804 -3.250 -6.683 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.778 -3.739 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.734 -5.218 -5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.752 -5.653 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.636 -5.580 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.273 -7.450 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.526 -7.319 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.162 -9.191 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.290 -9.131 -3.038 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.606 -3.651 -6.000 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.293 -3.652 -6.634 1.00 0.00 C ATOM 1043 C VAL A 70 -0.329 -4.577 -5.900 1.00 0.00 C ATOM 1044 O VAL A 70 0.777 -4.176 -5.536 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.691 -2.235 -6.682 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.547 -1.320 -7.545 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.544 -1.672 -5.277 1.00 0.00 C ATOM 0 H VAL A 70 -2.604 -3.349 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.434 -4.013 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 70 0.301 -2.295 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.106 -0.323 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.596 -1.717 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.553 -1.263 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.117 -0.670 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.523 -1.625 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.114 -2.317 -4.694 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.755 -5.817 -5.686 1.00 0.00 N ATOM 1058 CA ASP A 71 0.071 -6.801 -4.996 1.00 0.00 C ATOM 1059 C ASP A 71 1.082 -7.428 -5.951 1.00 0.00 C ATOM 1060 O ASP A 71 2.228 -7.681 -5.580 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.806 -7.890 -4.375 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.042 -8.761 -3.398 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.431 -8.228 -2.372 1.00 0.00 O ATOM 1064 OD2 ASP A 71 0.081 -9.976 -3.658 1.00 0.00 O ATOM 0 H ASP A 71 -1.668 -6.165 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 71 0.616 -6.289 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.648 -7.426 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.220 -8.514 -5.167 1.00 0.00 H new ATOM 1069 N LYS A 72 0.649 -7.676 -7.182 1.00 0.00 N ATOM 1070 CA LYS A 72 1.515 -8.273 -8.192 1.00 0.00 C ATOM 1071 C LYS A 72 1.930 -7.238 -9.233 1.00 0.00 C ATOM 1072 O LYS A 72 2.961 -7.385 -9.890 1.00 0.00 O ATOM 1073 CB LYS A 72 0.805 -9.443 -8.876 1.00 0.00 C ATOM 1074 CG LYS A 72 1.549 -9.985 -10.084 1.00 0.00 C ATOM 1075 CD LYS A 72 2.767 -10.794 -9.671 1.00 0.00 C ATOM 1076 CE LYS A 72 3.205 -11.745 -10.774 1.00 0.00 C ATOM 1077 NZ LYS A 72 4.663 -12.038 -10.709 1.00 0.00 N ATOM 0 H LYS A 72 -0.297 -7.473 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 72 2.412 -8.642 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.669 -10.247 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.189 -9.122 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.879 -10.610 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.860 -9.158 -10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.587 -10.119 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.539 -11.362 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.644 -12.676 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.965 -11.310 -11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.921 -12.690 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.200 -11.153 -10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.888 -12.476 -9.793 1.00 0.00 H new ATOM 1091 N GLU A 73 1.122 -6.193 -9.377 1.00 0.00 N ATOM 1092 CA GLU A 73 1.407 -5.134 -10.338 1.00 0.00 C ATOM 1093 C GLU A 73 2.859 -4.677 -10.230 1.00 0.00 C ATOM 1094 O GLU A 73 3.501 -4.859 -9.196 1.00 0.00 O ATOM 1095 CB GLU A 73 0.469 -3.946 -10.115 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.004 -4.313 -10.182 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.535 -4.338 -11.601 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -0.944 -5.045 -12.444 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.543 -3.651 -11.869 1.00 0.00 O ATOM 0 H GLU A 73 0.265 -6.057 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 73 1.244 -5.534 -11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.681 -3.504 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.679 -3.182 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.152 -5.292 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.580 -3.597 -9.595 1.00 0.00 H new ATOM 1106 N GLU A 74 3.369 -4.085 -11.305 1.00 0.00 N ATOM 1107 CA GLU A 74 4.745 -3.603 -11.331 1.00 0.00 C ATOM 1108 C GLU A 74 4.828 -2.164 -10.831 1.00 0.00 C ATOM 1109 O GLU A 74 3.811 -1.483 -10.694 1.00 0.00 O ATOM 1110 CB GLU A 74 5.315 -3.696 -12.748 1.00 0.00 C ATOM 1111 CG GLU A 74 4.730 -2.674 -13.707 1.00 0.00 C ATOM 1112 CD GLU A 74 5.036 -2.993 -15.158 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.163 -3.452 -15.439 1.00 0.00 O ATOM 1114 OE2 GLU A 74 4.149 -2.782 -16.011 1.00 0.00 O ATOM 0 H GLU A 74 2.850 -3.928 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 74 5.336 -4.234 -10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.396 -3.564 -12.705 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.131 -4.696 -13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.650 -2.629 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.124 -1.687 -13.465 1.00 0.00 H new ATOM 1121 N HIS A 75 6.046 -1.707 -10.559 1.00 0.00 N ATOM 1122 CA HIS A 75 6.262 -0.348 -10.074 1.00 0.00 C ATOM 1123 C HIS A 75 5.807 0.677 -11.109 1.00 0.00 C ATOM 1124 O HIS A 75 5.279 1.732 -10.760 1.00 0.00 O ATOM 1125 CB HIS A 75 7.739 -0.132 -9.740 1.00 0.00 C ATOM 1126 CG HIS A 75 8.092 1.301 -9.488 1.00 0.00 C ATOM 1127 ND1 HIS A 75 8.006 1.890 -8.244 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.537 2.264 -10.329 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.381 3.154 -8.331 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.708 3.406 -9.586 1.00 0.00 N ATOM 0 H HIS A 75 6.898 -2.257 -10.666 1.00 0.00 H new ATOM 0 HA HIS A 75 5.669 -0.213 -9.169 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.994 -0.721 -8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.348 -0.509 -10.562 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.723 2.154 -11.387 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.414 3.861 -7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.034 4.303 -9.945 1.00 0.00 H new ATOM 1139 N ALA A 76 6.017 0.359 -12.382 1.00 0.00 N ATOM 1140 CA ALA A 76 5.628 1.251 -13.466 1.00 0.00 C ATOM 1141 C ALA A 76 4.114 1.435 -13.509 1.00 0.00 C ATOM 1142 O ALA A 76 3.618 2.450 -13.996 1.00 0.00 O ATOM 1143 CB ALA A 76 6.134 0.716 -14.798 1.00 0.00 C ATOM 0 H ALA A 76 6.455 -0.510 -12.688 1.00 0.00 H new ATOM 0 HA ALA A 76 6.082 2.225 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.836 1.393 -15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.221 0.642 -14.771 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.708 -0.271 -14.979 1.00 0.00 H new ATOM 1149 N GLN A 77 3.388 0.446 -12.998 1.00 0.00 N ATOM 1150 CA GLN A 77 1.931 0.500 -12.980 1.00 0.00 C ATOM 1151 C GLN A 77 1.429 1.236 -11.742 1.00 0.00 C ATOM 1152 O GLN A 77 0.426 1.947 -11.795 1.00 0.00 O ATOM 1153 CB GLN A 77 1.347 -0.914 -13.019 1.00 0.00 C ATOM 1154 CG GLN A 77 1.192 -1.469 -14.426 1.00 0.00 C ATOM 1155 CD GLN A 77 0.253 -2.657 -14.484 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.634 -3.745 -14.917 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.985 -2.455 -14.047 1.00 0.00 N ATOM 0 H GLN A 77 3.784 -0.401 -12.591 1.00 0.00 H new ATOM 0 HA GLN A 77 1.602 1.046 -13.864 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.990 -1.580 -12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.373 -0.910 -12.530 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.819 -0.684 -15.083 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.170 -1.765 -14.806 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.259 -1.537 -13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.662 -3.218 -14.062 1.00 0.00 H new ATOM 1166 N VAL A 78 2.132 1.059 -10.628 1.00 0.00 N ATOM 1167 CA VAL A 78 1.758 1.707 -9.377 1.00 0.00 C ATOM 1168 C VAL A 78 2.104 3.192 -9.402 1.00 0.00 C ATOM 1169 O VAL A 78 1.267 4.041 -9.094 1.00 0.00 O ATOM 1170 CB VAL A 78 2.457 1.048 -8.173 1.00 0.00 C ATOM 1171 CG1 VAL A 78 2.075 1.755 -6.881 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.114 -0.432 -8.102 1.00 0.00 C ATOM 0 H VAL A 78 2.964 0.472 -10.567 1.00 0.00 H new ATOM 0 HA VAL A 78 0.680 1.590 -9.270 1.00 0.00 H new ATOM 0 HB VAL A 78 3.535 1.141 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.578 1.276 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.377 2.801 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.996 1.696 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.617 -0.881 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.036 -0.551 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.443 -0.926 -9.016 1.00 0.00 H new ATOM 1182 N VAL A 79 3.343 3.499 -9.771 1.00 0.00 N ATOM 1183 CA VAL A 79 3.801 4.881 -9.838 1.00 0.00 C ATOM 1184 C VAL A 79 2.837 5.740 -10.650 1.00 0.00 C ATOM 1185 O VAL A 79 2.684 6.933 -10.390 1.00 0.00 O ATOM 1186 CB VAL A 79 5.206 4.978 -10.461 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.166 4.598 -11.933 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.774 6.377 -10.278 1.00 0.00 C ATOM 0 H VAL A 79 4.048 2.808 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 79 3.840 5.251 -8.814 1.00 0.00 H new ATOM 0 HB VAL A 79 5.861 4.274 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.168 4.673 -12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.805 3.575 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.497 5.274 -12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.767 6.428 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.121 7.101 -10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.842 6.606 -9.214 1.00 0.00 H new ATOM 1198 N GLU A 80 2.190 5.124 -11.634 1.00 0.00 N ATOM 1199 CA GLU A 80 1.241 5.833 -12.484 1.00 0.00 C ATOM 1200 C GLU A 80 -0.065 6.097 -11.740 1.00 0.00 C ATOM 1201 O GLU A 80 -0.526 7.236 -11.655 1.00 0.00 O ATOM 1202 CB GLU A 80 0.963 5.030 -13.757 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.248 5.519 -14.533 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.422 4.800 -15.856 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -0.832 3.621 -15.842 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.149 5.418 -16.907 1.00 0.00 O ATOM 0 H GLU A 80 2.305 4.137 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 80 1.683 6.791 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.840 5.074 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.815 3.983 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.143 5.379 -13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.150 6.589 -14.715 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.658 5.036 -11.204 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.911 5.150 -10.467 1.00 0.00 C ATOM 1215 C LEU A 81 -1.842 6.282 -9.447 1.00 0.00 C ATOM 1216 O LEU A 81 -2.761 7.094 -9.342 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.234 3.832 -9.761 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.553 2.645 -10.670 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.571 1.351 -9.872 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -3.885 2.856 -11.376 1.00 0.00 C ATOM 0 H LEU A 81 -0.291 4.086 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.703 5.376 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.387 3.564 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.084 3.996 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.771 2.571 -11.426 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.800 0.517 -10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.595 1.193 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.331 1.414 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.096 2.001 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.678 2.957 -10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.837 3.761 -11.981 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.744 6.332 -8.699 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.553 7.366 -7.690 1.00 0.00 C ATOM 1234 C VAL A 82 -0.452 8.746 -8.330 1.00 0.00 C ATOM 1235 O VAL A 82 -0.903 9.740 -7.760 1.00 0.00 O ATOM 1236 CB VAL A 82 0.715 7.107 -6.854 1.00 0.00 C ATOM 1237 CG1 VAL A 82 0.930 8.228 -5.848 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.622 5.760 -6.152 1.00 0.00 C ATOM 0 H VAL A 82 0.027 5.668 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.424 7.334 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 82 1.574 7.084 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.830 8.028 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.043 9.175 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.072 8.286 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.525 5.592 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.245 5.753 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.519 4.969 -6.895 1.00 0.00 H new ATOM 1248 N ARG A 83 0.142 8.800 -9.518 1.00 0.00 N ATOM 1249 CA ARG A 83 0.302 10.059 -10.236 1.00 0.00 C ATOM 1250 C ARG A 83 -1.050 10.602 -10.689 1.00 0.00 C ATOM 1251 O ARG A 83 -1.375 11.766 -10.451 1.00 0.00 O ATOM 1252 CB ARG A 83 1.218 9.867 -11.445 1.00 0.00 C ATOM 1253 CG ARG A 83 1.167 11.019 -12.436 1.00 0.00 C ATOM 1254 CD ARG A 83 2.489 11.180 -13.171 1.00 0.00 C ATOM 1255 NE ARG A 83 2.542 10.373 -14.386 1.00 0.00 N ATOM 1256 CZ ARG A 83 3.637 10.229 -15.126 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.762 10.834 -14.774 1.00 0.00 N ATOM 1258 NH2 ARG A 83 3.606 9.477 -16.218 1.00 0.00 N ATOM 0 H ARG A 83 0.520 7.987 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 83 0.755 10.781 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.244 9.743 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.941 8.945 -11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.368 10.846 -13.156 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.927 11.943 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.636 12.229 -13.426 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.308 10.895 -12.511 1.00 0.00 H new ATOM 0 HE ARG A 83 1.692 9.893 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.789 11.412 -13.934 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.601 10.722 -15.343 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.742 9.009 -16.490 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.446 9.367 -16.785 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.834 9.753 -11.343 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.151 10.146 -11.829 1.00 0.00 C ATOM 1274 C LYS A 84 -4.099 10.426 -10.667 1.00 0.00 C ATOM 1275 O LYS A 84 -4.909 11.351 -10.724 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.735 9.051 -12.725 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.901 7.715 -12.022 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.633 6.712 -12.897 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.134 6.959 -12.892 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.794 6.345 -11.707 1.00 0.00 N ATOM 0 H LYS A 84 -1.580 8.787 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.037 11.061 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.705 9.378 -13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.087 8.918 -13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.921 7.319 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.451 7.858 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.256 6.775 -13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.428 5.701 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.325 8.032 -12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.572 6.552 -13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.816 6.536 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.633 5.317 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.394 6.752 -10.837 1.00 0.00 H new ATOM 1294 N SER A 85 -3.991 9.622 -9.614 1.00 0.00 N ATOM 1295 CA SER A 85 -4.840 9.782 -8.440 1.00 0.00 C ATOM 1296 C SER A 85 -5.135 11.257 -8.180 1.00 0.00 C ATOM 1297 O SER A 85 -6.293 11.661 -8.079 1.00 0.00 O ATOM 1298 CB SER A 85 -4.172 9.160 -7.212 1.00 0.00 C ATOM 1299 OG SER A 85 -4.064 7.754 -7.348 1.00 0.00 O ATOM 0 H SER A 85 -3.324 8.853 -9.550 1.00 0.00 H new ATOM 0 HA SER A 85 -5.782 9.269 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.181 9.592 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.750 9.399 -6.319 1.00 0.00 H new ATOM 0 HG SER A 85 -3.358 7.541 -7.994 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.078 12.055 -8.073 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.243 13.476 -7.825 1.00 0.00 C ATOM 1307 C GLY A 86 -3.524 13.933 -6.571 1.00 0.00 C ATOM 1308 O GLY A 86 -2.601 13.271 -6.100 1.00 0.00 O ATOM 0 H GLY A 86 -3.110 11.744 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.867 14.037 -8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.305 13.705 -7.735 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.947 15.071 -6.031 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.336 15.618 -4.825 1.00 0.00 C ATOM 1314 C ASN A 87 -3.554 14.689 -3.635 1.00 0.00 C ATOM 1315 O ASN A 87 -2.694 14.569 -2.762 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.913 17.002 -4.518 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.128 18.116 -5.183 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -2.848 19.145 -4.569 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.770 17.915 -6.446 1.00 0.00 N ATOM 0 H ASN A 87 -4.710 15.632 -6.409 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.264 15.709 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.950 17.043 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.919 17.159 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.241 18.630 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.024 17.046 -6.916 1.00 0.00 H new ATOM 1326 N SER A 88 -4.709 14.033 -3.607 1.00 0.00 N ATOM 1327 CA SER A 88 -5.042 13.116 -2.523 1.00 0.00 C ATOM 1328 C SER A 88 -4.987 11.668 -3.000 1.00 0.00 C ATOM 1329 O SER A 88 -5.484 11.337 -4.076 1.00 0.00 O ATOM 1330 CB SER A 88 -6.433 13.431 -1.970 1.00 0.00 C ATOM 1331 OG SER A 88 -7.432 13.226 -2.954 1.00 0.00 O ATOM 0 H SER A 88 -5.431 14.119 -4.323 1.00 0.00 H new ATOM 0 HA SER A 88 -4.306 13.247 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.635 12.799 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.465 14.464 -1.625 1.00 0.00 H new ATOM 0 HG SER A 88 -8.312 13.433 -2.575 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.378 10.808 -2.190 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.258 9.394 -2.526 1.00 0.00 C ATOM 1339 C VAL A 89 -4.517 8.515 -1.308 1.00 0.00 C ATOM 1340 O VAL A 89 -4.135 8.857 -0.189 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.864 9.069 -3.094 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.825 7.647 -3.633 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.483 10.068 -4.176 1.00 0.00 C ATOM 0 H VAL A 89 -3.960 11.066 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.010 9.185 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.135 9.147 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.832 7.436 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.051 6.947 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.564 7.538 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.495 9.823 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.213 10.025 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.467 11.073 -3.754 1.00 0.00 H new ATOM 1353 N THR A 90 -5.168 7.378 -1.533 1.00 0.00 N ATOM 1354 CA THR A 90 -5.479 6.449 -0.454 1.00 0.00 C ATOM 1355 C THR A 90 -4.609 5.200 -0.537 1.00 0.00 C ATOM 1356 O THR A 90 -4.479 4.590 -1.599 1.00 0.00 O ATOM 1357 CB THR A 90 -6.961 6.031 -0.482 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.796 7.190 -0.579 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.325 5.241 0.766 1.00 0.00 C ATOM 0 H THR A 90 -5.490 7.078 -2.453 1.00 0.00 H new ATOM 0 HA THR A 90 -5.274 6.970 0.481 1.00 0.00 H new ATOM 0 HB THR A 90 -7.119 5.396 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.736 6.915 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.376 4.957 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.709 4.344 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.151 5.856 1.649 1.00 0.00 H new ATOM 1367 N LEU A 91 -4.015 4.823 0.590 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.157 3.645 0.646 1.00 0.00 C ATOM 1369 C LEU A 91 -3.509 2.771 1.845 1.00 0.00 C ATOM 1370 O LEU A 91 -3.782 3.275 2.935 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.687 4.063 0.719 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.216 5.051 -0.349 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.105 5.686 0.057 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.084 4.356 -1.696 1.00 0.00 C ATOM 0 H LEU A 91 -4.112 5.316 1.477 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.319 3.065 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.504 4.504 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.071 3.166 0.652 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.962 5.841 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.425 6.386 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.022 6.218 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.860 4.909 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.748 5.074 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.358 3.546 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.051 3.949 -1.992 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.499 1.459 1.637 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.815 0.513 2.702 1.00 0.00 C ATOM 1388 C LEU A 92 -2.582 -0.291 3.100 1.00 0.00 C ATOM 1389 O LEU A 92 -2.074 -1.095 2.319 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.933 -0.432 2.257 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.343 0.159 2.238 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.295 -0.757 1.484 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.841 0.397 3.656 1.00 0.00 C ATOM 0 H LEU A 92 -3.276 1.026 0.741 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.151 1.080 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.699 -0.794 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.933 -1.299 2.917 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.307 1.118 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.294 -0.320 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.948 -0.877 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.326 -1.731 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.846 0.818 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.861 -0.548 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.173 1.092 4.164 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.107 -0.071 4.322 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.935 -0.778 4.825 1.00 0.00 C ATOM 1407 C VAL A 93 -1.279 -1.600 6.061 1.00 0.00 C ATOM 1408 O VAL A 93 -1.751 -1.065 7.066 1.00 0.00 O ATOM 1409 CB VAL A 93 0.204 0.200 5.172 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.437 1.176 4.029 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.107 0.942 6.463 1.00 0.00 C ATOM 0 H VAL A 93 -2.516 0.591 4.982 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.601 -1.445 4.030 1.00 0.00 H new ATOM 0 HB VAL A 93 1.119 -0.373 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.245 1.859 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.707 0.624 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.474 1.746 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.708 1.629 6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.033 1.504 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.219 0.225 7.277 1.00 0.00 H new ATOM 1421 N LEU A 94 -1.039 -2.905 5.983 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.323 -3.803 7.096 1.00 0.00 C ATOM 1423 C LEU A 94 -0.081 -4.013 7.957 1.00 0.00 C ATOM 1424 O LEU A 94 1.044 -3.801 7.503 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.829 -5.149 6.575 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.245 -6.167 7.638 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.581 -5.781 8.252 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.315 -7.565 7.039 1.00 0.00 C ATOM 0 H LEU A 94 -0.648 -3.364 5.160 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.097 -3.344 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.683 -4.966 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.047 -5.595 5.960 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.493 -6.168 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.861 -6.517 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.498 -4.799 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.344 -5.751 7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.612 -8.276 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.046 -7.578 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.336 -7.842 6.647 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.293 -4.431 9.200 1.00 0.00 N ATOM 1441 CA ASP A 95 0.810 -4.673 10.124 1.00 0.00 C ATOM 1442 C ASP A 95 1.624 -5.888 9.692 1.00 0.00 C ATOM 1443 O ASP A 95 1.085 -6.981 9.523 1.00 0.00 O ATOM 1444 CB ASP A 95 0.278 -4.877 11.543 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.721 -3.810 11.947 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.895 -3.911 11.534 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.328 -2.875 12.675 1.00 0.00 O ATOM 0 H ASP A 95 -1.218 -4.609 9.591 1.00 0.00 H new ATOM 0 HA ASP A 95 1.462 -3.799 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.194 -5.857 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.112 -4.873 12.244 1.00 0.00 H new ATOM 1452 N GLY A 96 2.927 -5.689 9.514 1.00 0.00 N ATOM 1453 CA GLY A 96 3.794 -6.777 9.102 1.00 0.00 C ATOM 1454 C GLY A 96 3.450 -8.084 9.788 1.00 0.00 C ATOM 1455 O GLY A 96 3.259 -9.107 9.129 1.00 0.00 O ATOM 0 H GLY A 96 3.397 -4.794 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.721 -6.907 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.829 -6.516 9.322 1.00 0.00 H new ATOM 1459 N ASP A 97 3.371 -8.052 11.113 1.00 0.00 N ATOM 1460 CA ASP A 97 3.048 -9.244 11.889 1.00 0.00 C ATOM 1461 C ASP A 97 1.871 -9.992 11.271 1.00 0.00 C ATOM 1462 O ASP A 97 1.929 -11.205 11.070 1.00 0.00 O ATOM 1463 CB ASP A 97 2.725 -8.866 13.335 1.00 0.00 C ATOM 1464 CG ASP A 97 2.313 -10.063 14.169 1.00 0.00 C ATOM 1465 OD1 ASP A 97 2.825 -11.172 13.909 1.00 0.00 O ATOM 1466 OD2 ASP A 97 1.479 -9.891 15.083 1.00 0.00 O ATOM 0 H ASP A 97 3.526 -7.214 11.673 1.00 0.00 H new ATOM 0 HA ASP A 97 3.918 -9.900 11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.597 -8.395 13.788 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.923 -8.128 13.344 1.00 0.00 H new ATOM 1471 N SER A 98 0.802 -9.260 10.972 1.00 0.00 N ATOM 1472 CA SER A 98 -0.391 -9.855 10.382 1.00 0.00 C ATOM 1473 C SER A 98 -0.110 -10.341 8.963 1.00 0.00 C ATOM 1474 O SER A 98 -0.465 -11.463 8.597 1.00 0.00 O ATOM 1475 CB SER A 98 -1.538 -8.843 10.368 1.00 0.00 C ATOM 1476 OG SER A 98 -1.997 -8.574 11.681 1.00 0.00 O ATOM 0 H SER A 98 0.738 -8.254 11.129 1.00 0.00 H new ATOM 0 HA SER A 98 -0.679 -10.712 10.991 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.204 -7.917 9.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.360 -9.228 9.764 1.00 0.00 H new ATOM 0 HG SER A 98 -2.729 -7.923 11.645 1.00 0.00 H new ATOM 1482 N TYR A 99 0.529 -9.490 8.168 1.00 0.00 N ATOM 1483 CA TYR A 99 0.856 -9.831 6.789 1.00 0.00 C ATOM 1484 C TYR A 99 1.373 -11.263 6.689 1.00 0.00 C ATOM 1485 O TYR A 99 0.813 -12.087 5.968 1.00 0.00 O ATOM 1486 CB TYR A 99 1.900 -8.860 6.235 1.00 0.00 C ATOM 1487 CG TYR A 99 2.010 -8.883 4.727 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.806 -9.822 4.084 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.316 -7.967 3.946 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.910 -9.847 2.707 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.413 -7.986 2.568 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.211 -8.927 1.953 1.00 0.00 C ATOM 1493 OH TYR A 99 2.311 -8.949 0.581 1.00 0.00 O ATOM 0 H TYR A 99 0.831 -8.559 8.455 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.055 -9.751 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.650 -7.849 6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.872 -9.101 6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.353 -10.545 4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.690 -7.228 4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.535 -10.583 2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.866 -7.267 1.976 1.00 0.00 H new ATOM 0 HH TYR A 99 1.859 -9.746 0.233 1.00 0.00 H new ATOM 1503 N GLU A 100 2.446 -11.549 7.420 1.00 0.00 N ATOM 1504 CA GLU A 100 3.040 -12.881 7.414 1.00 0.00 C ATOM 1505 C GLU A 100 1.995 -13.944 7.741 1.00 0.00 C ATOM 1506 O GLU A 100 1.869 -14.945 7.036 1.00 0.00 O ATOM 1507 CB GLU A 100 4.191 -12.955 8.420 1.00 0.00 C ATOM 1508 CG GLU A 100 5.295 -11.945 8.156 1.00 0.00 C ATOM 1509 CD GLU A 100 6.447 -12.071 9.134 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.324 -12.931 8.911 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.471 -11.309 10.123 1.00 0.00 O ATOM 0 H GLU A 100 2.921 -10.877 8.023 1.00 0.00 H new ATOM 0 HA GLU A 100 3.428 -13.073 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.796 -12.795 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.616 -13.959 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.669 -12.078 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.882 -10.938 8.214 1.00 0.00 H new ATOM 1518 N LYS A 101 1.248 -13.719 8.817 1.00 0.00 N ATOM 1519 CA LYS A 101 0.214 -14.656 9.239 1.00 0.00 C ATOM 1520 C LYS A 101 -0.742 -14.966 8.091 1.00 0.00 C ATOM 1521 O LYS A 101 -1.013 -16.128 7.794 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.567 -14.084 10.426 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.813 -14.880 10.774 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.506 -14.320 12.005 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.889 -14.858 13.286 1.00 0.00 C ATOM 1526 NZ LYS A 101 -2.076 -13.921 14.428 1.00 0.00 N ATOM 0 H LYS A 101 1.340 -12.896 9.412 1.00 0.00 H new ATOM 0 HA LYS A 101 0.701 -15.583 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.087 -14.049 11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.853 -13.057 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.502 -14.867 9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.544 -15.922 10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.440 -13.232 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.565 -14.575 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.338 -15.821 13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.824 -15.033 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.641 -14.324 15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.625 -13.010 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.092 -13.773 14.593 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.246 -13.918 7.448 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.168 -14.079 6.331 1.00 0.00 C ATOM 1542 C ALA A 102 -1.582 -14.998 5.264 1.00 0.00 C ATOM 1543 O ALA A 102 -2.097 -16.089 5.020 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.512 -12.723 5.731 1.00 0.00 C ATOM 0 H ALA A 102 -1.031 -12.949 7.682 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.081 -14.539 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.201 -12.858 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.980 -12.097 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.602 -12.241 5.374 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.503 -14.549 4.630 1.00 0.00 N ATOM 1551 CA VAL A 103 0.153 -15.332 3.590 1.00 0.00 C ATOM 1552 C VAL A 103 0.181 -16.813 3.951 1.00 0.00 C ATOM 1553 O VAL A 103 -0.211 -17.666 3.154 1.00 0.00 O ATOM 1554 CB VAL A 103 1.594 -14.847 3.347 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.335 -15.809 2.431 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.592 -13.441 2.767 1.00 0.00 C ATOM 0 H VAL A 103 -0.065 -13.647 4.819 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.428 -15.195 2.678 1.00 0.00 H new ATOM 0 HB VAL A 103 2.115 -14.820 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.351 -15.449 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.368 -16.797 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.817 -15.871 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.619 -13.114 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.053 -13.439 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.102 -12.761 3.464 1.00 0.00 H new ATOM 1566 N LYS A 104 0.647 -17.113 5.159 1.00 0.00 N ATOM 1567 CA LYS A 104 0.725 -18.491 5.629 1.00 0.00 C ATOM 1568 C LYS A 104 -0.618 -19.196 5.472 1.00 0.00 C ATOM 1569 O LYS A 104 -0.688 -20.310 4.956 1.00 0.00 O ATOM 1570 CB LYS A 104 1.165 -18.527 7.094 1.00 0.00 C ATOM 1571 CG LYS A 104 1.929 -19.785 7.468 1.00 0.00 C ATOM 1572 CD LYS A 104 3.424 -19.613 7.258 1.00 0.00 C ATOM 1573 CE LYS A 104 4.120 -20.954 7.081 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.376 -21.622 8.387 1.00 0.00 N ATOM 0 H LYS A 104 0.977 -16.420 5.831 1.00 0.00 H new ATOM 0 HA LYS A 104 1.463 -19.015 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.790 -17.658 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.285 -18.443 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.734 -20.034 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.570 -20.621 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.600 -18.992 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.854 -19.088 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.506 -21.602 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.064 -20.807 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.851 -22.533 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.983 -21.015 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.473 -21.786 8.876 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.683 -18.538 5.921 1.00 0.00 N ATOM 1589 CA ASN A 105 -3.024 -19.102 5.830 1.00 0.00 C ATOM 1590 C ASN A 105 -3.686 -18.721 4.509 1.00 0.00 C ATOM 1591 O ASN A 105 -4.911 -18.729 4.393 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.883 -18.622 7.001 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.171 -18.758 8.334 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.692 -19.836 8.687 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.100 -17.662 9.081 1.00 0.00 N ATOM 0 H ASN A 105 -1.642 -17.614 6.351 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.938 -20.188 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.157 -17.579 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.810 -19.195 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.634 -17.692 9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.511 -16.790 8.748 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.867 -18.388 3.517 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.373 -18.003 2.205 1.00 0.00 C ATOM 1604 C GLN A 106 -4.677 -17.222 2.332 1.00 0.00 C ATOM 1605 O GLN A 106 -5.637 -17.474 1.605 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.591 -19.243 1.336 1.00 0.00 C ATOM 1607 CG GLN A 106 -4.559 -20.248 1.940 1.00 0.00 C ATOM 1608 CD GLN A 106 -4.652 -21.527 1.132 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -5.405 -21.609 0.162 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -3.884 -22.535 1.529 1.00 0.00 N ATOM 0 H GLN A 106 -1.850 -18.377 3.597 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.631 -17.361 1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.965 -18.932 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.631 -19.732 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.242 -20.486 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.548 -19.796 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.274 -22.423 2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.904 -23.421 1.024 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.703 -16.271 3.262 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.888 -15.452 3.484 1.00 0.00 C ATOM 1621 C VAL A 107 -6.015 -14.369 2.418 1.00 0.00 C ATOM 1622 O VAL A 107 -5.139 -13.516 2.277 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.859 -14.788 4.873 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.038 -13.842 5.038 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.855 -15.844 5.968 1.00 0.00 C ATOM 0 H VAL A 107 -3.917 -16.050 3.873 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.749 -16.118 3.426 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.942 -14.205 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.000 -13.382 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.991 -13.066 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.969 -14.399 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.834 -15.357 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.754 -16.456 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.974 -16.477 5.860 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.112 -14.410 1.670 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.356 -13.431 0.617 1.00 0.00 C ATOM 1637 C ASP A 108 -7.055 -12.018 1.108 1.00 0.00 C ATOM 1638 O ASP A 108 -7.558 -11.591 2.148 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.805 -13.519 0.134 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.213 -14.937 -0.216 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.460 -15.730 0.715 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -9.284 -15.252 -1.423 1.00 0.00 O ATOM 0 H ASP A 108 -7.846 -15.110 1.773 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.690 -13.657 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.467 -13.134 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.933 -12.881 -0.740 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.232 -11.298 0.354 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.863 -9.933 0.712 1.00 0.00 C ATOM 1649 C LEU A 109 -6.877 -8.933 0.165 1.00 0.00 C ATOM 1650 O LEU A 109 -7.242 -7.970 0.839 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.467 -9.605 0.180 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.306 -10.354 0.835 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.017 -10.118 0.064 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.147 -9.927 2.287 1.00 0.00 C ATOM 0 H LEU A 109 -5.807 -11.637 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.857 -9.858 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.450 -9.813 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.297 -8.535 0.300 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.528 -11.421 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.201 -10.659 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.135 -10.474 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.789 -9.052 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.316 -10.470 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.947 -8.856 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.064 -10.148 2.834 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.330 -9.169 -1.062 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.304 -8.292 -1.700 1.00 0.00 C ATOM 1668 C LYS A 110 -9.394 -7.883 -0.716 1.00 0.00 C ATOM 1669 O LYS A 110 -9.896 -6.760 -0.764 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.931 -8.988 -2.911 1.00 0.00 C ATOM 1671 CG LYS A 110 -8.183 -8.739 -4.210 1.00 0.00 C ATOM 1672 CD LYS A 110 -6.732 -9.180 -4.112 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.569 -10.647 -4.479 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.995 -10.918 -5.880 1.00 0.00 N ATOM 0 H LYS A 110 -7.038 -9.961 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.784 -7.394 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.969 -10.061 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.960 -8.647 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.673 -9.276 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.226 -7.678 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.119 -8.568 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.368 -9.015 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.526 -10.939 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.157 -11.260 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.479 -11.744 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.017 -11.111 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.787 -10.089 -6.473 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.754 -8.799 0.177 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.785 -8.531 1.173 1.00 0.00 C ATOM 1690 C GLU A 111 -10.355 -7.407 2.112 1.00 0.00 C ATOM 1691 O GLU A 111 -11.157 -6.544 2.473 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.087 -9.796 1.980 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.647 -10.933 1.141 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.940 -12.174 1.963 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.003 -12.700 2.598 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -13.107 -12.618 1.969 1.00 0.00 O ATOM 0 H GLU A 111 -9.347 -9.733 0.231 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.688 -8.218 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.173 -10.132 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.799 -9.553 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.563 -10.602 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.936 -11.183 0.353 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.086 -7.425 2.504 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.549 -6.407 3.401 1.00 0.00 C ATOM 1705 C LEU A 112 -9.071 -5.023 3.030 1.00 0.00 C ATOM 1706 O LEU A 112 -8.510 -4.347 2.167 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.020 -6.417 3.356 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.349 -7.770 3.593 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -4.861 -7.690 3.289 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.579 -8.236 5.024 1.00 0.00 C ATOM 0 H LEU A 112 -8.410 -8.132 2.215 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.879 -6.639 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.703 -6.043 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.650 -5.715 4.103 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.797 -8.499 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.401 -8.663 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.717 -7.403 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.397 -6.947 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.094 -9.201 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.159 -7.507 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.649 -8.335 5.207 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.147 -4.607 3.689 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.744 -3.302 3.431 1.00 0.00 C ATOM 1724 C ASP A 113 -11.378 -2.734 4.698 1.00 0.00 C ATOM 1725 O ASP A 113 -12.422 -3.207 5.145 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.794 -3.406 2.324 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.091 -4.019 2.813 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.185 -5.265 2.845 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.013 -3.254 3.163 1.00 0.00 O ATOM 0 H ASP A 113 -10.623 -5.155 4.406 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.952 -2.626 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.994 -2.413 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.397 -4.007 1.506 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.738 -1.720 5.270 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.238 -1.090 6.486 1.00 0.00 C ATOM 1736 C GLN A 114 -12.763 -1.076 6.504 1.00 0.00 C ATOM 1737 O GLN A 114 -13.384 -1.275 7.549 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.703 0.338 6.604 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.362 1.316 5.645 1.00 0.00 C ATOM 1740 CD GLN A 114 -11.132 2.763 6.037 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.143 3.377 5.636 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -12.048 3.315 6.825 1.00 0.00 N ATOM 0 H GLN A 114 -9.872 -1.317 4.911 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.887 -1.673 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -10.850 0.689 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.629 0.331 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.975 1.150 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -12.433 1.119 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.852 2.768 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.947 4.286 7.122 1.00 0.00 H new TER 1751 GLN A 114