USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 830 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 25 GLN : amide:sc= -0.699 K(o=-0.75,f=-4.8!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.0557 K(o=-0.75,f=-1.9) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A -1 GLY N :NH3+ -110:sc= 0.116 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.228 (180deg=-0.644) USER MOD Single : A 16 MET CE :methyl -150:sc= -0.362 (180deg=-1.6) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.2!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 74:sc= 0.264 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -32:sc= 0.931 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 0.182 (180deg=0.0243) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -3.422 -40.710 19.337 1.00 0.00 N ATOM 2 CA GLY A -1 -3.316 -40.191 17.963 1.00 0.00 C ATOM 3 C GLY A -1 -2.199 -39.157 17.826 1.00 0.00 C ATOM 4 O GLY A -1 -1.581 -38.783 18.821 1.00 0.00 O ATOM 0 H1 GLY A -1 -3.106 -41.700 19.359 1.00 0.00 H new ATOM 0 H2 GLY A -1 -2.824 -40.141 19.970 1.00 0.00 H new ATOM 0 H3 GLY A -1 -4.411 -40.655 19.653 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -3.131 -41.017 17.277 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -4.265 -39.741 17.671 1.00 0.00 H new ATOM 10 N SER A 0 -1.949 -38.703 16.593 1.00 0.00 N ATOM 11 CA SER A 0 -0.930 -37.713 16.271 1.00 0.00 C ATOM 12 C SER A 0 -1.396 -36.888 15.073 1.00 0.00 C ATOM 13 O SER A 0 -2.149 -37.384 14.235 1.00 0.00 O ATOM 14 CB SER A 0 0.400 -38.411 15.967 1.00 0.00 C ATOM 15 OG SER A 0 0.834 -39.162 17.080 1.00 0.00 O ATOM 0 H SER A 0 -2.466 -39.026 15.775 1.00 0.00 H new ATOM 0 HA SER A 0 -0.777 -37.049 17.122 1.00 0.00 H new ATOM 0 HB2 SER A 0 0.284 -39.065 15.103 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.155 -37.669 15.706 1.00 0.00 H new ATOM 0 HG SER A 0 1.683 -39.602 16.867 1.00 0.00 H new ATOM 21 N MET A 1 -0.943 -35.631 14.994 1.00 0.00 N ATOM 22 CA MET A 1 -1.333 -34.693 13.950 1.00 0.00 C ATOM 23 C MET A 1 -0.500 -34.934 12.688 1.00 0.00 C ATOM 24 O MET A 1 0.296 -34.088 12.282 1.00 0.00 O ATOM 25 CB MET A 1 -1.203 -33.252 14.471 1.00 0.00 C ATOM 26 CG MET A 1 -2.037 -32.993 15.736 1.00 0.00 C ATOM 27 SD MET A 1 -3.803 -33.412 15.656 1.00 0.00 S ATOM 28 CE MET A 1 -4.346 -32.304 14.329 1.00 0.00 C ATOM 0 H MET A 1 -0.285 -35.237 15.667 1.00 0.00 H new ATOM 0 HA MET A 1 -2.377 -34.851 13.680 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.155 -33.042 14.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.514 -32.559 13.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.592 -33.555 16.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.950 -31.936 15.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.423 -32.400 14.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.104 -31.274 14.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.838 -32.570 13.402 1.00 0.00 H new ATOM 38 N LYS A 2 -0.703 -36.102 12.069 1.00 0.00 N ATOM 39 CA LYS A 2 -0.063 -36.491 10.821 1.00 0.00 C ATOM 40 C LYS A 2 -0.767 -35.815 9.639 1.00 0.00 C ATOM 41 O LYS A 2 -1.864 -35.279 9.798 1.00 0.00 O ATOM 42 CB LYS A 2 -0.096 -38.020 10.687 1.00 0.00 C ATOM 43 CG LYS A 2 0.643 -38.707 11.841 1.00 0.00 C ATOM 44 CD LYS A 2 0.687 -40.233 11.676 1.00 0.00 C ATOM 45 CE LYS A 2 -0.687 -40.877 11.901 1.00 0.00 C ATOM 46 NZ LYS A 2 -0.571 -42.321 11.828 1.00 0.00 N ATOM 0 H LYS A 2 -1.333 -36.816 12.436 1.00 0.00 H new ATOM 0 HA LYS A 2 0.977 -36.166 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.131 -38.361 10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.357 -38.312 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.660 -38.320 11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.153 -38.459 12.783 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.043 -40.479 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.404 -40.653 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.081 -40.583 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.393 -40.521 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.505 -42.752 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.213 -42.594 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.088 -42.654 12.560 1.00 0.00 H new ATOM 59 N LYS A 3 -0.126 -35.860 8.462 1.00 0.00 N ATOM 60 CA LYS A 3 -0.561 -35.255 7.205 1.00 0.00 C ATOM 61 C LYS A 3 -0.467 -33.727 7.290 1.00 0.00 C ATOM 62 O LYS A 3 -1.141 -33.107 8.109 1.00 0.00 O ATOM 63 CB LYS A 3 -1.963 -35.715 6.759 1.00 0.00 C ATOM 64 CG LYS A 3 -2.066 -37.191 6.341 1.00 0.00 C ATOM 65 CD LYS A 3 -1.903 -38.178 7.503 1.00 0.00 C ATOM 66 CE LYS A 3 -2.345 -39.586 7.097 1.00 0.00 C ATOM 67 NZ LYS A 3 -2.127 -40.506 8.199 1.00 0.00 N ATOM 0 H LYS A 3 0.763 -36.350 8.361 1.00 0.00 H new ATOM 0 HA LYS A 3 0.120 -35.607 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.663 -35.535 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.282 -35.094 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.034 -37.358 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.304 -37.400 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.861 -38.199 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.492 -37.841 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.399 -39.580 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.786 -39.914 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.429 -41.461 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.117 -40.520 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.680 -40.197 9.024 1.00 0.00 H new ATOM 80 N TRP A 4 0.361 -33.128 6.425 1.00 0.00 N ATOM 81 CA TRP A 4 0.558 -31.687 6.323 1.00 0.00 C ATOM 82 C TRP A 4 1.511 -31.407 5.159 1.00 0.00 C ATOM 83 O TRP A 4 2.451 -32.166 4.928 1.00 0.00 O ATOM 84 CB TRP A 4 1.133 -31.109 7.627 1.00 0.00 C ATOM 85 CG TRP A 4 1.566 -29.674 7.570 1.00 0.00 C ATOM 86 CD1 TRP A 4 0.799 -28.610 7.895 1.00 0.00 C ATOM 87 CD2 TRP A 4 2.854 -29.122 7.162 1.00 0.00 C ATOM 88 NE1 TRP A 4 1.515 -27.443 7.729 1.00 0.00 N ATOM 89 CE2 TRP A 4 2.794 -27.703 7.278 1.00 0.00 C ATOM 90 CE3 TRP A 4 4.069 -29.675 6.697 1.00 0.00 C ATOM 91 CZ2 TRP A 4 3.882 -26.876 6.959 1.00 0.00 C ATOM 92 CZ3 TRP A 4 5.161 -28.855 6.361 1.00 0.00 C ATOM 93 CH2 TRP A 4 5.074 -27.459 6.498 1.00 0.00 C ATOM 0 H TRP A 4 0.927 -33.654 5.759 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.405 -31.207 6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.382 -31.211 8.410 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.988 -31.715 7.925 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -0.225 -28.665 8.235 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.148 -26.510 7.915 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.160 -30.747 6.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.804 -25.804 7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.074 -29.302 5.995 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.921 -26.836 6.250 1.00 0.00 H new ATOM 104 N SER A 5 1.264 -30.304 4.442 1.00 0.00 N ATOM 105 CA SER A 5 2.117 -29.781 3.383 1.00 0.00 C ATOM 106 C SER A 5 2.423 -28.310 3.663 1.00 0.00 C ATOM 107 O SER A 5 1.634 -27.626 4.313 1.00 0.00 O ATOM 108 CB SER A 5 1.418 -29.950 2.026 1.00 0.00 C ATOM 109 OG SER A 5 0.174 -29.283 2.005 1.00 0.00 O ATOM 0 H SER A 5 0.432 -29.734 4.594 1.00 0.00 H new ATOM 0 HA SER A 5 3.057 -30.333 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.057 -29.559 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.269 -31.010 1.821 1.00 0.00 H new ATOM 0 HG SER A 5 -0.248 -29.406 1.129 1.00 0.00 H new ATOM 115 N ASP A 6 3.562 -27.821 3.157 1.00 0.00 N ATOM 116 CA ASP A 6 3.936 -26.418 3.245 1.00 0.00 C ATOM 117 C ASP A 6 2.935 -25.550 2.481 1.00 0.00 C ATOM 118 O ASP A 6 2.422 -24.572 3.022 1.00 0.00 O ATOM 119 CB ASP A 6 5.361 -26.224 2.717 1.00 0.00 C ATOM 120 CG ASP A 6 5.789 -24.762 2.817 1.00 0.00 C ATOM 121 OD1 ASP A 6 5.934 -24.105 1.789 1.00 0.00 O ATOM 122 OD2 ASP A 6 5.972 -24.281 4.080 1.00 0.00 O ATOM 0 H ASP A 6 4.250 -28.398 2.673 1.00 0.00 H new ATOM 0 HA ASP A 6 3.915 -26.106 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.051 -26.848 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.416 -26.552 1.679 1.00 0.00 H new ATOM 128 N THR A 7 2.660 -25.924 1.228 1.00 0.00 N ATOM 129 CA THR A 7 1.651 -25.303 0.383 1.00 0.00 C ATOM 130 C THR A 7 1.266 -26.290 -0.721 1.00 0.00 C ATOM 131 O THR A 7 1.970 -27.274 -0.954 1.00 0.00 O ATOM 132 CB THR A 7 2.135 -23.947 -0.158 1.00 0.00 C ATOM 133 OG1 THR A 7 1.098 -23.324 -0.891 1.00 0.00 O ATOM 134 CG2 THR A 7 3.370 -24.092 -1.048 1.00 0.00 C ATOM 0 H THR A 7 3.151 -26.690 0.766 1.00 0.00 H new ATOM 0 HA THR A 7 0.757 -25.078 0.965 1.00 0.00 H new ATOM 0 HB THR A 7 2.410 -23.333 0.699 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.411 -22.460 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.677 -23.110 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.182 -24.538 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.133 -24.732 -1.898 1.00 0.00 H new ATOM 142 N GLU A 8 0.134 -26.032 -1.381 1.00 0.00 N ATOM 143 CA GLU A 8 -0.433 -26.881 -2.414 1.00 0.00 C ATOM 144 C GLU A 8 -1.419 -26.045 -3.229 1.00 0.00 C ATOM 145 O GLU A 8 -1.959 -25.062 -2.723 1.00 0.00 O ATOM 146 CB GLU A 8 -1.115 -28.091 -1.754 1.00 0.00 C ATOM 147 CG GLU A 8 -1.630 -29.117 -2.770 1.00 0.00 C ATOM 148 CD GLU A 8 -2.127 -30.378 -2.071 1.00 0.00 C ATOM 149 OE1 GLU A 8 -1.466 -31.412 -2.145 1.00 0.00 O ATOM 150 OE2 GLU A 8 -3.305 -30.261 -1.396 1.00 0.00 O ATOM 0 H GLU A 8 -0.425 -25.198 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 8 0.338 -27.262 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.408 -28.577 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.948 -27.743 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.438 -28.679 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.833 -29.374 -3.468 1.00 0.00 H new ATOM 158 N VAL A 9 -1.654 -26.429 -4.490 1.00 0.00 N ATOM 159 CA VAL A 9 -2.632 -25.783 -5.352 1.00 0.00 C ATOM 160 C VAL A 9 -4.033 -25.906 -4.742 1.00 0.00 C ATOM 161 O VAL A 9 -4.298 -26.817 -3.959 1.00 0.00 O ATOM 162 CB VAL A 9 -2.538 -26.370 -6.775 1.00 0.00 C ATOM 163 CG1 VAL A 9 -3.021 -27.825 -6.847 1.00 0.00 C ATOM 164 CG2 VAL A 9 -3.310 -25.520 -7.792 1.00 0.00 C ATOM 0 H VAL A 9 -1.163 -27.203 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.419 -24.717 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.479 -26.354 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.933 -28.187 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.411 -28.444 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.063 -27.878 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.220 -25.966 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.361 -25.478 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.898 -24.511 -7.810 1.00 0.00 H new ATOM 174 N PHE A 10 -4.909 -24.961 -5.095 1.00 0.00 N ATOM 175 CA PHE A 10 -6.264 -24.808 -4.581 1.00 0.00 C ATOM 176 C PHE A 10 -6.232 -24.277 -3.146 1.00 0.00 C ATOM 177 O PHE A 10 -6.766 -24.893 -2.225 1.00 0.00 O ATOM 178 CB PHE A 10 -7.102 -26.090 -4.759 1.00 0.00 C ATOM 179 CG PHE A 10 -8.581 -25.931 -4.452 1.00 0.00 C ATOM 180 CD1 PHE A 10 -9.392 -25.132 -5.280 1.00 0.00 C ATOM 181 CD2 PHE A 10 -9.155 -26.598 -3.351 1.00 0.00 C ATOM 182 CE1 PHE A 10 -10.763 -24.989 -5.002 1.00 0.00 C ATOM 183 CE2 PHE A 10 -10.527 -26.463 -3.081 1.00 0.00 C ATOM 184 CZ PHE A 10 -11.331 -25.658 -3.905 1.00 0.00 C ATOM 0 H PHE A 10 -4.675 -24.246 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.782 -24.058 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.994 -26.438 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.693 -26.867 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.960 -24.627 -6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.539 -27.214 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.379 -24.365 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -10.964 -26.979 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.385 -25.553 -3.695 1.00 0.00 H new ATOM 194 N GLU A 11 -5.627 -23.095 -2.987 1.00 0.00 N ATOM 195 CA GLU A 11 -5.757 -22.242 -1.822 1.00 0.00 C ATOM 196 C GLU A 11 -6.740 -21.129 -2.183 1.00 0.00 C ATOM 197 O GLU A 11 -6.635 -20.519 -3.247 1.00 0.00 O ATOM 198 CB GLU A 11 -4.395 -21.707 -1.345 1.00 0.00 C ATOM 199 CG GLU A 11 -3.550 -20.983 -2.404 1.00 0.00 C ATOM 200 CD GLU A 11 -2.790 -21.956 -3.301 1.00 0.00 C ATOM 201 OE1 GLU A 11 -3.298 -22.344 -4.352 1.00 0.00 O ATOM 202 OE2 GLU A 11 -1.562 -22.336 -2.850 1.00 0.00 O ATOM 0 H GLU A 11 -5.012 -22.700 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.142 -22.808 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.566 -21.022 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.815 -22.543 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.198 -20.357 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.841 -20.319 -1.909 1.00 0.00 H new ATOM 210 N MET A 12 -7.722 -20.897 -1.309 1.00 0.00 N ATOM 211 CA MET A 12 -8.771 -19.912 -1.530 1.00 0.00 C ATOM 212 C MET A 12 -8.188 -18.497 -1.577 1.00 0.00 C ATOM 213 O MET A 12 -8.632 -17.687 -2.387 1.00 0.00 O ATOM 214 CB MET A 12 -9.851 -20.016 -0.443 1.00 0.00 C ATOM 215 CG MET A 12 -10.791 -21.214 -0.633 1.00 0.00 C ATOM 216 SD MET A 12 -10.066 -22.860 -0.390 1.00 0.00 S ATOM 217 CE MET A 12 -11.534 -23.877 -0.687 1.00 0.00 C ATOM 0 H MET A 12 -7.808 -21.394 -0.422 1.00 0.00 H new ATOM 0 HA MET A 12 -9.234 -20.121 -2.494 1.00 0.00 H new ATOM 0 HB2 MET A 12 -9.369 -20.092 0.532 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.440 -19.099 -0.437 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.627 -21.104 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.202 -21.168 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.275 -24.930 -0.579 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.308 -23.618 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 12 -11.904 -23.696 -1.696 1.00 0.00 H new ATOM 227 N LEU A 13 -7.213 -18.201 -0.707 1.00 0.00 N ATOM 228 CA LEU A 13 -6.636 -16.874 -0.575 1.00 0.00 C ATOM 229 C LEU A 13 -6.026 -16.375 -1.887 1.00 0.00 C ATOM 230 O LEU A 13 -5.230 -17.074 -2.511 1.00 0.00 O ATOM 231 CB LEU A 13 -5.657 -16.838 0.599 1.00 0.00 C ATOM 232 CG LEU A 13 -4.399 -17.706 0.441 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.195 -16.819 0.100 1.00 0.00 C ATOM 234 CD2 LEU A 13 -4.125 -18.452 1.750 1.00 0.00 C ATOM 0 H LEU A 13 -6.805 -18.888 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.437 -16.170 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.347 -15.805 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.185 -17.155 1.499 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.558 -18.424 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.306 -17.440 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.386 -16.289 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.036 -16.097 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.233 -19.068 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.970 -17.732 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.977 -19.088 1.991 1.00 0.00 H new ATOM 246 N LYS A 14 -6.457 -15.181 -2.311 1.00 0.00 N ATOM 247 CA LYS A 14 -6.257 -14.662 -3.664 1.00 0.00 C ATOM 248 C LYS A 14 -5.622 -13.268 -3.649 1.00 0.00 C ATOM 249 O LYS A 14 -5.561 -12.639 -2.593 1.00 0.00 O ATOM 250 CB LYS A 14 -7.594 -14.708 -4.425 1.00 0.00 C ATOM 251 CG LYS A 14 -8.447 -13.433 -4.371 1.00 0.00 C ATOM 252 CD LYS A 14 -8.819 -12.892 -2.989 1.00 0.00 C ATOM 253 CE LYS A 14 -10.028 -13.552 -2.321 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.699 -14.867 -1.808 1.00 0.00 N ATOM 0 H LYS A 14 -6.966 -14.536 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.545 -15.295 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.386 -14.937 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.186 -15.533 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.914 -12.648 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.370 -13.622 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.957 -13.005 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.015 -11.823 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.384 -12.921 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.843 -13.634 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.416 -15.158 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.680 -15.550 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.765 -14.838 -1.351 1.00 0.00 H new ATOM 267 N ARG A 15 -5.166 -12.774 -4.811 1.00 0.00 N ATOM 268 CA ARG A 15 -4.664 -11.408 -4.934 1.00 0.00 C ATOM 269 C ARG A 15 -5.731 -10.465 -5.486 1.00 0.00 C ATOM 270 O ARG A 15 -6.271 -10.691 -6.568 1.00 0.00 O ATOM 271 CB ARG A 15 -3.351 -11.349 -5.729 1.00 0.00 C ATOM 272 CG ARG A 15 -3.492 -11.395 -7.254 1.00 0.00 C ATOM 273 CD ARG A 15 -2.117 -11.613 -7.890 1.00 0.00 C ATOM 274 NE ARG A 15 -1.207 -10.504 -7.573 1.00 0.00 N ATOM 275 CZ ARG A 15 0.126 -10.590 -7.431 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.789 -11.723 -7.700 1.00 0.00 N ATOM 277 NH2 ARG A 15 0.805 -9.521 -7.003 1.00 0.00 N ATOM 0 H ARG A 15 -5.137 -13.308 -5.679 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.427 -11.055 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.826 -10.433 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.721 -12.182 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.169 -12.199 -7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.929 -10.465 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.692 -12.551 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.223 -11.703 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.627 -9.583 -7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.281 -12.547 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.802 -11.761 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.311 -8.655 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.818 -9.571 -6.890 1.00 0.00 H new ATOM 291 N MET A 16 -6.005 -9.386 -4.748 1.00 0.00 N ATOM 292 CA MET A 16 -6.730 -8.228 -5.244 1.00 0.00 C ATOM 293 C MET A 16 -5.717 -7.228 -5.789 1.00 0.00 C ATOM 294 O MET A 16 -4.558 -7.223 -5.376 1.00 0.00 O ATOM 295 CB MET A 16 -7.593 -7.646 -4.121 1.00 0.00 C ATOM 296 CG MET A 16 -8.651 -6.624 -4.568 1.00 0.00 C ATOM 297 SD MET A 16 -8.158 -4.887 -4.723 1.00 0.00 S ATOM 298 CE MET A 16 -7.305 -4.615 -3.148 1.00 0.00 C ATOM 0 H MET A 16 -5.721 -9.298 -3.772 1.00 0.00 H new ATOM 0 HA MET A 16 -7.407 -8.498 -6.054 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.097 -8.466 -3.610 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.938 -7.171 -3.391 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.038 -6.947 -5.535 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.479 -6.672 -3.861 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.415 -3.572 -2.850 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.739 -5.259 -2.383 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.247 -4.850 -3.262 1.00 0.00 H new ATOM 308 N TYR A 17 -6.172 -6.407 -6.732 1.00 0.00 N ATOM 309 CA TYR A 17 -5.387 -5.398 -7.427 1.00 0.00 C ATOM 310 C TYR A 17 -6.182 -4.099 -7.498 1.00 0.00 C ATOM 311 O TYR A 17 -7.031 -3.943 -8.372 1.00 0.00 O ATOM 312 CB TYR A 17 -5.007 -5.908 -8.823 1.00 0.00 C ATOM 313 CG TYR A 17 -4.404 -4.858 -9.742 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.179 -4.249 -9.413 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.079 -4.467 -10.914 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.595 -3.318 -10.288 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.520 -3.496 -11.764 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.269 -2.933 -11.459 1.00 0.00 C ATOM 319 OH TYR A 17 -2.711 -2.018 -12.302 1.00 0.00 O ATOM 0 H TYR A 17 -7.143 -6.430 -7.045 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.463 -5.201 -6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.296 -6.727 -8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.897 -6.319 -9.299 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.686 -4.498 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.030 -4.915 -11.161 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.627 -2.898 -10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.052 -3.183 -12.650 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.309 -1.867 -13.063 1.00 0.00 H new ATOM 329 N ALA A 18 -5.891 -3.165 -6.586 1.00 0.00 N ATOM 330 CA ALA A 18 -6.514 -1.854 -6.560 1.00 0.00 C ATOM 331 C ALA A 18 -5.587 -0.818 -7.175 1.00 0.00 C ATOM 332 O ALA A 18 -4.572 -0.446 -6.589 1.00 0.00 O ATOM 333 CB ALA A 18 -6.884 -1.457 -5.140 1.00 0.00 C ATOM 0 H ALA A 18 -5.209 -3.308 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.430 -1.900 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.349 -0.471 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.583 -2.185 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.985 -1.430 -4.524 1.00 0.00 H new ATOM 339 N ARG A 19 -5.976 -0.342 -8.354 1.00 0.00 N ATOM 340 CA ARG A 19 -5.275 0.691 -9.089 1.00 0.00 C ATOM 341 C ARG A 19 -5.874 2.044 -8.703 1.00 0.00 C ATOM 342 O ARG A 19 -6.862 2.477 -9.297 1.00 0.00 O ATOM 343 CB ARG A 19 -5.380 0.388 -10.590 1.00 0.00 C ATOM 344 CG ARG A 19 -4.565 1.358 -11.453 1.00 0.00 C ATOM 345 CD ARG A 19 -3.089 1.397 -11.057 1.00 0.00 C ATOM 346 NE ARG A 19 -2.285 2.083 -12.079 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.213 2.860 -11.846 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.775 3.078 -10.599 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.575 3.430 -12.876 1.00 0.00 N ATOM 0 H ARG A 19 -6.812 -0.678 -8.833 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.213 0.720 -8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.038 -0.630 -10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.426 0.432 -10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.649 1.066 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.988 2.359 -11.366 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.979 1.908 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.719 0.381 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.566 1.958 -13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.257 2.652 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.040 3.670 -10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.903 3.273 -13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.239 4.021 -12.708 1.00 0.00 H new ATOM 363 N VAL A 20 -5.301 2.684 -7.676 1.00 0.00 N ATOM 364 CA VAL A 20 -5.859 3.888 -7.080 1.00 0.00 C ATOM 365 C VAL A 20 -5.299 5.121 -7.792 1.00 0.00 C ATOM 366 O VAL A 20 -4.112 5.431 -7.681 1.00 0.00 O ATOM 367 CB VAL A 20 -5.590 3.930 -5.565 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.372 5.087 -4.929 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.991 2.620 -4.875 1.00 0.00 C ATOM 0 H VAL A 20 -4.433 2.374 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.941 3.882 -7.208 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.518 4.074 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.178 5.112 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.056 6.029 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.439 4.943 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.784 2.693 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.055 2.440 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.419 1.795 -5.300 1.00 0.00 H new ATOM 379 N TYR A 21 -6.182 5.822 -8.512 1.00 0.00 N ATOM 380 CA TYR A 21 -5.905 7.072 -9.204 1.00 0.00 C ATOM 381 C TYR A 21 -6.347 8.251 -8.342 1.00 0.00 C ATOM 382 O TYR A 21 -7.360 8.167 -7.647 1.00 0.00 O ATOM 383 CB TYR A 21 -6.663 7.117 -10.537 1.00 0.00 C ATOM 384 CG TYR A 21 -6.365 5.966 -11.475 1.00 0.00 C ATOM 385 CD1 TYR A 21 -5.229 6.010 -12.304 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.238 4.864 -11.546 1.00 0.00 C ATOM 387 CE1 TYR A 21 -4.991 4.978 -13.227 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.005 3.838 -12.475 1.00 0.00 C ATOM 389 CZ TYR A 21 -5.896 3.908 -13.336 1.00 0.00 C ATOM 390 OH TYR A 21 -5.695 2.928 -14.264 1.00 0.00 O ATOM 0 H TYR A 21 -7.148 5.515 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.833 7.135 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.733 7.131 -10.330 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.424 8.052 -11.044 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.539 6.838 -12.231 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.089 4.808 -10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.112 5.007 -13.853 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.678 2.995 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.415 2.266 -14.201 1.00 0.00 H new ATOM 400 N GLY A 22 -5.613 9.365 -8.434 1.00 0.00 N ATOM 401 CA GLY A 22 -5.955 10.624 -7.794 1.00 0.00 C ATOM 402 C GLY A 22 -4.741 11.272 -7.151 1.00 0.00 C ATOM 403 O GLY A 22 -3.633 10.744 -7.222 1.00 0.00 O ATOM 0 H GLY A 22 -4.746 9.409 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.383 11.303 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.720 10.452 -7.037 1.00 0.00 H new ATOM 407 N LEU A 23 -4.967 12.393 -6.456 1.00 0.00 N ATOM 408 CA LEU A 23 -3.919 13.079 -5.710 1.00 0.00 C ATOM 409 C LEU A 23 -3.724 12.429 -4.330 1.00 0.00 C ATOM 410 O LEU A 23 -3.304 13.086 -3.381 1.00 0.00 O ATOM 411 CB LEU A 23 -4.239 14.580 -5.650 1.00 0.00 C ATOM 412 CG LEU A 23 -3.021 15.473 -5.343 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.102 15.618 -6.563 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.508 16.863 -4.918 1.00 0.00 C ATOM 0 H LEU A 23 -5.880 12.844 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.960 12.978 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.669 14.887 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.000 14.748 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.452 15.002 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.255 16.255 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.739 14.635 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.658 16.067 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.650 17.498 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.092 17.306 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.129 16.774 -4.027 1.00 0.00 H new ATOM 426 N VAL A 24 -4.006 11.124 -4.222 1.00 0.00 N ATOM 427 CA VAL A 24 -3.739 10.327 -3.029 1.00 0.00 C ATOM 428 C VAL A 24 -2.234 10.260 -2.740 1.00 0.00 C ATOM 429 O VAL A 24 -1.833 10.162 -1.581 1.00 0.00 O ATOM 430 CB VAL A 24 -4.392 8.943 -3.156 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.888 9.085 -3.463 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.729 8.074 -4.229 1.00 0.00 C ATOM 0 H VAL A 24 -4.433 10.588 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.192 10.812 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.255 8.443 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.337 8.096 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.374 9.634 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.017 9.626 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.231 7.107 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.805 8.569 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.678 7.926 -3.979 1.00 0.00 H new ATOM 442 N GLN A 25 -1.412 10.370 -3.794 1.00 0.00 N ATOM 443 CA GLN A 25 0.008 10.683 -3.714 1.00 0.00 C ATOM 444 C GLN A 25 0.226 11.885 -2.786 1.00 0.00 C ATOM 445 O GLN A 25 -0.449 12.904 -2.924 1.00 0.00 O ATOM 446 CB GLN A 25 0.538 11.005 -5.121 1.00 0.00 C ATOM 447 CG GLN A 25 1.362 9.861 -5.725 1.00 0.00 C ATOM 448 CD GLN A 25 0.575 8.619 -6.142 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.630 8.517 -5.927 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.273 7.665 -6.763 1.00 0.00 N ATOM 0 H GLN A 25 -1.735 10.238 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 25 0.546 9.825 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.303 11.227 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.153 11.904 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.891 10.242 -6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.118 9.561 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.273 7.787 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.806 6.814 -7.077 1.00 0.00 H new ATOM 459 N GLY A 26 1.177 11.772 -1.852 1.00 0.00 N ATOM 460 CA GLY A 26 1.571 12.862 -0.974 1.00 0.00 C ATOM 461 C GLY A 26 0.810 12.839 0.351 1.00 0.00 C ATOM 462 O GLY A 26 1.438 12.829 1.409 1.00 0.00 O ATOM 0 H GLY A 26 1.696 10.909 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.641 12.799 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.394 13.813 -1.476 1.00 0.00 H new ATOM 466 N VAL A 27 -0.530 12.848 0.306 1.00 0.00 N ATOM 467 CA VAL A 27 -1.351 12.904 1.514 1.00 0.00 C ATOM 468 C VAL A 27 -1.313 11.580 2.290 1.00 0.00 C ATOM 469 O VAL A 27 -0.633 10.634 1.892 1.00 0.00 O ATOM 470 CB VAL A 27 -2.793 13.348 1.194 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.813 14.703 0.475 1.00 0.00 C ATOM 472 CG2 VAL A 27 -3.577 12.310 0.383 1.00 0.00 C ATOM 0 H VAL A 27 -1.066 12.817 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.920 13.662 2.168 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.293 13.448 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.844 14.988 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.351 15.459 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.259 14.627 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.583 12.683 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.070 12.130 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.636 11.378 0.945 1.00 0.00 H new ATOM 482 N GLY A 28 -2.054 11.526 3.405 1.00 0.00 N ATOM 483 CA GLY A 28 -2.148 10.374 4.287 1.00 0.00 C ATOM 484 C GLY A 28 -2.821 9.191 3.593 1.00 0.00 C ATOM 485 O GLY A 28 -4.029 8.994 3.723 1.00 0.00 O ATOM 0 H GLY A 28 -2.620 12.314 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.150 10.084 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.713 10.643 5.180 1.00 0.00 H new ATOM 489 N PHE A 29 -2.024 8.399 2.869 1.00 0.00 N ATOM 490 CA PHE A 29 -2.453 7.198 2.177 1.00 0.00 C ATOM 491 C PHE A 29 -1.247 6.280 1.975 1.00 0.00 C ATOM 492 O PHE A 29 -0.118 6.658 2.294 1.00 0.00 O ATOM 493 CB PHE A 29 -3.105 7.575 0.839 1.00 0.00 C ATOM 494 CG PHE A 29 -3.850 6.442 0.153 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.935 5.817 0.800 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.414 5.960 -1.095 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.628 4.771 0.169 1.00 0.00 C ATOM 498 CE2 PHE A 29 -4.086 4.889 -1.711 1.00 0.00 C ATOM 499 CZ PHE A 29 -5.201 4.304 -1.085 1.00 0.00 C ATOM 0 H PHE A 29 -1.029 8.591 2.750 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.196 6.665 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.799 8.398 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.332 7.944 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.235 6.144 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.562 6.413 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.488 4.326 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.745 4.516 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.729 3.495 -1.568 1.00 0.00 H new ATOM 509 N ARG A 30 -1.496 5.077 1.448 1.00 0.00 N ATOM 510 CA ARG A 30 -0.509 4.052 1.147 1.00 0.00 C ATOM 511 C ARG A 30 -0.067 3.367 2.437 1.00 0.00 C ATOM 512 O ARG A 30 -0.381 2.199 2.650 1.00 0.00 O ATOM 513 CB ARG A 30 0.647 4.610 0.298 1.00 0.00 C ATOM 514 CG ARG A 30 1.358 3.471 -0.433 1.00 0.00 C ATOM 515 CD ARG A 30 2.277 3.978 -1.550 1.00 0.00 C ATOM 516 NE ARG A 30 3.626 4.356 -1.095 1.00 0.00 N ATOM 517 CZ ARG A 30 4.056 5.599 -0.822 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.203 6.629 -0.721 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.368 5.815 -0.669 1.00 0.00 N ATOM 0 H ARG A 30 -2.443 4.783 1.210 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.961 3.281 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.264 5.332 -0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.354 5.141 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.944 2.894 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.615 2.795 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.366 3.204 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.811 4.841 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 30 4.300 3.600 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.203 6.478 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.554 7.564 -0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.026 5.041 -0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.710 6.753 -0.461 1.00 0.00 H new ATOM 533 N LYS A 31 0.613 4.103 3.324 1.00 0.00 N ATOM 534 CA LYS A 31 0.933 3.630 4.661 1.00 0.00 C ATOM 535 C LYS A 31 -0.348 3.171 5.368 1.00 0.00 C ATOM 536 O LYS A 31 -0.388 2.106 5.970 1.00 0.00 O ATOM 537 CB LYS A 31 1.593 4.767 5.448 1.00 0.00 C ATOM 538 CG LYS A 31 2.090 4.338 6.838 1.00 0.00 C ATOM 539 CD LYS A 31 3.104 3.189 6.776 1.00 0.00 C ATOM 540 CE LYS A 31 3.723 2.935 8.154 1.00 0.00 C ATOM 541 NZ LYS A 31 4.662 1.832 8.073 1.00 0.00 N ATOM 0 H LYS A 31 0.954 5.044 3.127 1.00 0.00 H new ATOM 0 HA LYS A 31 1.620 2.786 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.434 5.156 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.879 5.583 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.547 5.193 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.238 4.033 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.613 2.283 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.889 3.429 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.231 3.833 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.941 2.707 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.080 1.663 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.165 0.975 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.415 2.066 7.395 1.00 0.00 H new ATOM 554 N PHE A 32 -1.405 3.983 5.271 1.00 0.00 N ATOM 555 CA PHE A 32 -2.723 3.679 5.819 1.00 0.00 C ATOM 556 C PHE A 32 -3.241 2.317 5.326 1.00 0.00 C ATOM 557 O PHE A 32 -3.795 1.537 6.098 1.00 0.00 O ATOM 558 CB PHE A 32 -3.689 4.803 5.420 1.00 0.00 C ATOM 559 CG PHE A 32 -5.083 4.790 6.031 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.400 3.997 7.156 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.079 5.613 5.468 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.699 4.008 7.691 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.373 5.635 6.015 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.686 4.830 7.122 1.00 0.00 C ATOM 0 H PHE A 32 -1.364 4.887 4.800 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.651 3.616 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.220 5.754 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.798 4.782 4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.639 3.378 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.847 6.230 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.939 3.385 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.129 6.273 5.583 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.684 4.843 7.535 1.00 0.00 H new ATOM 574 N VAL A 33 -3.055 2.036 4.031 1.00 0.00 N ATOM 575 CA VAL A 33 -3.423 0.764 3.414 1.00 0.00 C ATOM 576 C VAL A 33 -2.601 -0.384 4.014 1.00 0.00 C ATOM 577 O VAL A 33 -3.105 -1.497 4.155 1.00 0.00 O ATOM 578 CB VAL A 33 -3.270 0.836 1.879 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.800 -0.432 1.202 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.017 2.034 1.278 1.00 0.00 C ATOM 0 H VAL A 33 -2.638 2.698 3.376 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.473 0.564 3.628 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.201 0.943 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.677 -0.347 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.244 -1.297 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.857 -0.556 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.880 2.043 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.079 1.953 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.623 2.958 1.701 1.00 0.00 H new ATOM 590 N GLN A 34 -1.350 -0.096 4.399 1.00 0.00 N ATOM 591 CA GLN A 34 -0.466 -1.026 5.081 1.00 0.00 C ATOM 592 C GLN A 34 -1.081 -1.466 6.408 1.00 0.00 C ATOM 593 O GLN A 34 -1.246 -2.661 6.615 1.00 0.00 O ATOM 594 CB GLN A 34 0.916 -0.380 5.299 1.00 0.00 C ATOM 595 CG GLN A 34 2.068 -1.380 5.355 1.00 0.00 C ATOM 596 CD GLN A 34 2.721 -1.562 3.991 1.00 0.00 C ATOM 597 OE1 GLN A 34 3.933 -1.408 3.875 1.00 0.00 O ATOM 598 NE2 GLN A 34 1.933 -1.859 2.955 1.00 0.00 N ATOM 0 H GLN A 34 -0.923 0.816 4.236 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.335 -1.912 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.104 0.331 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.897 0.189 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.813 -1.037 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.699 -2.341 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.930 -1.979 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.334 -1.966 2.023 1.00 0.00 H new ATOM 607 N ILE A 35 -1.408 -0.525 7.304 1.00 0.00 N ATOM 608 CA ILE A 35 -1.843 -0.829 8.669 1.00 0.00 C ATOM 609 C ILE A 35 -2.898 -1.933 8.704 1.00 0.00 C ATOM 610 O ILE A 35 -2.697 -2.944 9.371 1.00 0.00 O ATOM 611 CB ILE A 35 -2.371 0.439 9.375 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.369 1.608 9.402 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.836 0.115 10.806 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.030 1.278 10.066 1.00 0.00 C ATOM 0 H ILE A 35 -1.377 0.474 7.098 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.968 -1.193 9.207 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.217 0.773 8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.183 1.934 8.379 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.824 2.448 9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.204 1.023 11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.635 -0.625 10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.999 -0.283 11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.615 2.157 10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.200 0.982 11.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.451 0.460 9.529 1.00 0.00 H new ATOM 626 N HIS A 36 -4.014 -1.743 7.994 1.00 0.00 N ATOM 627 CA HIS A 36 -5.118 -2.688 8.032 1.00 0.00 C ATOM 628 C HIS A 36 -4.689 -4.018 7.419 1.00 0.00 C ATOM 629 O HIS A 36 -4.902 -5.061 8.035 1.00 0.00 O ATOM 630 CB HIS A 36 -6.357 -2.095 7.360 1.00 0.00 C ATOM 631 CG HIS A 36 -7.118 -1.164 8.274 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.479 -1.352 8.513 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.682 -0.097 9.021 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.812 -0.394 9.383 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.771 0.385 9.718 1.00 0.00 N ATOM 0 H HIS A 36 -4.170 -0.939 7.386 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.393 -2.887 9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.056 -1.554 6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.015 -2.903 7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.675 0.292 9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.810 -0.261 9.774 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.783 1.177 10.361 1.00 0.00 H new ATOM 643 N ALA A 37 -4.056 -3.978 6.241 1.00 0.00 N ATOM 644 CA ALA A 37 -3.498 -5.153 5.587 1.00 0.00 C ATOM 645 C ALA A 37 -2.665 -5.995 6.563 1.00 0.00 C ATOM 646 O ALA A 37 -3.034 -7.121 6.887 1.00 0.00 O ATOM 647 CB ALA A 37 -2.667 -4.700 4.382 1.00 0.00 C ATOM 0 H ALA A 37 -3.919 -3.116 5.714 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.309 -5.794 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.243 -5.572 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.304 -4.157 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.861 -4.048 4.720 1.00 0.00 H new ATOM 653 N ILE A 38 -1.551 -5.427 7.035 1.00 0.00 N ATOM 654 CA ILE A 38 -0.602 -6.019 7.970 1.00 0.00 C ATOM 655 C ILE A 38 -1.293 -6.550 9.227 1.00 0.00 C ATOM 656 O ILE A 38 -1.007 -7.669 9.651 1.00 0.00 O ATOM 657 CB ILE A 38 0.487 -4.965 8.281 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.647 -5.063 7.271 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.071 -5.057 9.696 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.217 -5.010 5.803 1.00 0.00 C ATOM 0 H ILE A 38 -1.275 -4.486 6.755 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.131 -6.893 7.520 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.025 -4.006 8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.347 -4.249 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.186 -5.994 7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.826 -4.282 9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.275 -4.917 10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.527 -6.037 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.096 -5.085 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.542 -5.839 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.706 -4.067 5.607 1.00 0.00 H new ATOM 672 N ARG A 39 -2.200 -5.763 9.822 1.00 0.00 N ATOM 673 CA ARG A 39 -2.938 -6.158 11.009 1.00 0.00 C ATOM 674 C ARG A 39 -3.783 -7.406 10.743 1.00 0.00 C ATOM 675 O ARG A 39 -3.833 -8.299 11.588 1.00 0.00 O ATOM 676 CB ARG A 39 -3.738 -4.946 11.503 1.00 0.00 C ATOM 677 CG ARG A 39 -4.250 -5.076 12.934 1.00 0.00 C ATOM 678 CD ARG A 39 -5.622 -5.747 13.040 1.00 0.00 C ATOM 679 NE ARG A 39 -6.084 -5.771 14.435 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.156 -6.446 14.886 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.913 -7.173 14.051 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.473 -6.391 16.185 1.00 0.00 N ATOM 0 H ARG A 39 -2.437 -4.830 9.484 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.261 -6.453 11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.111 -4.058 11.433 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.587 -4.790 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.529 -5.649 13.517 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.305 -4.084 13.382 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.343 -5.211 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.565 -6.765 12.653 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.548 -5.232 15.116 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.678 -7.219 13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.723 -7.680 14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.903 -5.839 16.826 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.285 -6.901 16.534 1.00 0.00 H new ATOM 696 N LEU A 40 -4.398 -7.496 9.560 1.00 0.00 N ATOM 697 CA LEU A 40 -5.188 -8.647 9.143 1.00 0.00 C ATOM 698 C LEU A 40 -4.373 -9.668 8.333 1.00 0.00 C ATOM 699 O LEU A 40 -4.960 -10.496 7.638 1.00 0.00 O ATOM 700 CB LEU A 40 -6.412 -8.144 8.375 1.00 0.00 C ATOM 701 CG LEU A 40 -7.244 -7.155 9.211 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.391 -6.658 8.342 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.808 -7.791 10.487 1.00 0.00 C ATOM 0 H LEU A 40 -4.357 -6.757 8.858 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.513 -9.190 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.089 -7.659 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.035 -8.991 8.088 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.595 -6.338 9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.999 -5.954 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.990 -6.161 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.007 -7.503 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.386 -7.049 11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.452 -8.629 10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.987 -8.147 11.109 1.00 0.00 H new ATOM 715 N GLY A 41 -3.036 -9.644 8.445 1.00 0.00 N ATOM 716 CA GLY A 41 -2.145 -10.633 7.854 1.00 0.00 C ATOM 717 C GLY A 41 -2.311 -10.768 6.339 1.00 0.00 C ATOM 718 O GLY A 41 -2.499 -11.874 5.837 1.00 0.00 O ATOM 0 H GLY A 41 -2.541 -8.917 8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.113 -10.361 8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.328 -11.601 8.320 1.00 0.00 H new ATOM 722 N ILE A 42 -2.223 -9.644 5.620 1.00 0.00 N ATOM 723 CA ILE A 42 -2.313 -9.566 4.170 1.00 0.00 C ATOM 724 C ILE A 42 -0.928 -9.240 3.618 1.00 0.00 C ATOM 725 O ILE A 42 -0.240 -8.366 4.144 1.00 0.00 O ATOM 726 CB ILE A 42 -3.337 -8.485 3.785 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.760 -8.813 4.250 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.357 -8.152 2.292 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.368 -10.068 3.620 1.00 0.00 C ATOM 0 H ILE A 42 -2.082 -8.732 6.055 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.646 -10.514 3.747 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.988 -7.601 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.754 -8.934 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.405 -7.963 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.104 -7.382 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.376 -7.789 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.605 -9.048 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.375 -10.219 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.412 -9.947 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.751 -10.933 3.864 1.00 0.00 H new ATOM 741 N LYS A 43 -0.535 -9.945 2.551 1.00 0.00 N ATOM 742 CA LYS A 43 0.709 -9.719 1.817 1.00 0.00 C ATOM 743 C LYS A 43 0.420 -8.831 0.599 1.00 0.00 C ATOM 744 O LYS A 43 -0.730 -8.467 0.387 1.00 0.00 O ATOM 745 CB LYS A 43 1.313 -11.058 1.397 1.00 0.00 C ATOM 746 CG LYS A 43 1.616 -11.990 2.577 1.00 0.00 C ATOM 747 CD LYS A 43 2.777 -11.483 3.446 1.00 0.00 C ATOM 748 CE LYS A 43 2.291 -10.943 4.792 1.00 0.00 C ATOM 749 NZ LYS A 43 3.400 -10.336 5.501 1.00 0.00 N ATOM 0 H LYS A 43 -1.091 -10.709 2.166 1.00 0.00 H new ATOM 0 HA LYS A 43 1.433 -9.210 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.626 -11.560 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.234 -10.874 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.723 -12.092 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.857 -12.983 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.485 -12.295 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.313 -10.698 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.500 -10.209 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.864 -11.751 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.068 -9.969 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.141 -11.048 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.788 -9.554 4.935 1.00 0.00 H new ATOM 762 N GLY A 44 1.427 -8.469 -0.209 1.00 0.00 N ATOM 763 CA GLY A 44 1.192 -7.674 -1.411 1.00 0.00 C ATOM 764 C GLY A 44 2.371 -6.761 -1.729 1.00 0.00 C ATOM 765 O GLY A 44 3.515 -7.161 -1.529 1.00 0.00 O ATOM 0 H GLY A 44 2.404 -8.715 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.009 -8.338 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.293 -7.073 -1.278 1.00 0.00 H new ATOM 769 N TYR A 45 2.077 -5.542 -2.211 1.00 0.00 N ATOM 770 CA TYR A 45 3.036 -4.455 -2.417 1.00 0.00 C ATOM 771 C TYR A 45 2.317 -3.211 -2.949 1.00 0.00 C ATOM 772 O TYR A 45 1.407 -3.327 -3.773 1.00 0.00 O ATOM 773 CB TYR A 45 4.161 -4.835 -3.388 1.00 0.00 C ATOM 774 CG TYR A 45 5.479 -4.140 -3.122 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.779 -2.913 -3.743 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.426 -4.746 -2.275 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.021 -2.300 -3.514 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.664 -4.123 -2.039 1.00 0.00 C ATOM 779 CZ TYR A 45 7.952 -2.888 -2.643 1.00 0.00 C ATOM 780 OH TYR A 45 9.139 -2.263 -2.394 1.00 0.00 O ATOM 0 H TYR A 45 1.127 -5.281 -2.477 1.00 0.00 H new ATOM 0 HA TYR A 45 3.488 -4.249 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.317 -5.913 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.841 -4.604 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.056 -2.444 -4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.201 -5.692 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.262 -1.371 -4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.392 -4.593 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 45 9.668 -2.802 -1.769 1.00 0.00 H new ATOM 790 N ALA A 46 2.736 -2.031 -2.479 1.00 0.00 N ATOM 791 CA ALA A 46 2.075 -0.758 -2.763 1.00 0.00 C ATOM 792 C ALA A 46 3.005 0.171 -3.526 1.00 0.00 C ATOM 793 O ALA A 46 3.713 0.972 -2.916 1.00 0.00 O ATOM 794 CB ALA A 46 1.628 -0.105 -1.450 1.00 0.00 C ATOM 0 H ALA A 46 3.557 -1.935 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 46 1.200 -0.947 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.136 0.844 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.932 -0.766 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.498 0.073 -0.817 1.00 0.00 H new ATOM 800 N LYS A 47 3.007 0.070 -4.857 1.00 0.00 N ATOM 801 CA LYS A 47 3.987 0.763 -5.669 1.00 0.00 C ATOM 802 C LYS A 47 3.452 2.111 -6.139 1.00 0.00 C ATOM 803 O LYS A 47 2.608 2.191 -7.031 1.00 0.00 O ATOM 804 CB LYS A 47 4.535 -0.152 -6.763 1.00 0.00 C ATOM 805 CG LYS A 47 5.446 0.590 -7.752 1.00 0.00 C ATOM 806 CD LYS A 47 6.081 -0.348 -8.786 1.00 0.00 C ATOM 807 CE LYS A 47 7.143 -1.267 -8.170 1.00 0.00 C ATOM 808 NZ LYS A 47 7.787 -2.043 -9.212 1.00 0.00 N ATOM 0 H LYS A 47 2.337 -0.487 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 47 4.858 1.014 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.092 -0.968 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.704 -0.600 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.868 1.356 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.234 1.103 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.302 -0.956 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.535 0.245 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.885 -0.673 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.682 -1.933 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.506 -2.664 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.076 -2.621 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.242 -1.401 -9.892 1.00 0.00 H new ATOM 821 N ASN A 48 3.962 3.170 -5.502 1.00 0.00 N ATOM 822 CA ASN A 48 3.627 4.553 -5.760 1.00 0.00 C ATOM 823 C ASN A 48 4.406 5.068 -6.970 1.00 0.00 C ATOM 824 O ASN A 48 5.542 5.518 -6.824 1.00 0.00 O ATOM 825 CB ASN A 48 3.961 5.360 -4.498 1.00 0.00 C ATOM 826 CG ASN A 48 3.507 6.814 -4.562 1.00 0.00 C ATOM 827 OD1 ASN A 48 2.529 7.185 -3.918 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.229 7.645 -5.316 1.00 0.00 N ATOM 0 H ASN A 48 4.652 3.069 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 48 2.567 4.656 -5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.495 4.881 -3.637 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.038 5.332 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.976 8.631 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.034 7.294 -5.835 1.00 0.00 H new ATOM 835 N LEU A 49 3.786 5.051 -8.154 1.00 0.00 N ATOM 836 CA LEU A 49 4.317 5.701 -9.336 1.00 0.00 C ATOM 837 C LEU A 49 3.920 7.177 -9.230 1.00 0.00 C ATOM 838 O LEU A 49 2.725 7.459 -9.165 1.00 0.00 O ATOM 839 CB LEU A 49 3.738 5.058 -10.601 1.00 0.00 C ATOM 840 CG LEU A 49 3.911 3.529 -10.612 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.597 2.829 -10.243 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.356 3.045 -11.996 1.00 0.00 C ATOM 0 H LEU A 49 2.895 4.580 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 49 5.400 5.598 -9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.678 5.302 -10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.227 5.483 -11.478 1.00 0.00 H new ATOM 0 HG LEU A 49 4.674 3.280 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.744 1.749 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.287 3.140 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.826 3.100 -10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.473 1.961 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.605 3.320 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.308 3.509 -12.255 1.00 0.00 H new ATOM 854 N PRO A 50 4.876 8.118 -9.149 1.00 0.00 N ATOM 855 CA PRO A 50 4.612 9.506 -8.797 1.00 0.00 C ATOM 856 C PRO A 50 4.023 10.281 -9.982 1.00 0.00 C ATOM 857 O PRO A 50 4.676 11.142 -10.566 1.00 0.00 O ATOM 858 CB PRO A 50 5.963 10.052 -8.327 1.00 0.00 C ATOM 859 CG PRO A 50 6.958 9.266 -9.178 1.00 0.00 C ATOM 860 CD PRO A 50 6.307 7.884 -9.243 1.00 0.00 C ATOM 0 HA PRO A 50 3.860 9.607 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.046 11.126 -8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.119 9.883 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.082 9.704 -10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.946 9.229 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.560 7.375 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.654 7.249 -8.428 1.00 0.00 H new ATOM 868 N ASP A 51 2.762 9.979 -10.310 1.00 0.00 N ATOM 869 CA ASP A 51 1.962 10.680 -11.303 1.00 0.00 C ATOM 870 C ASP A 51 0.486 10.586 -10.895 1.00 0.00 C ATOM 871 O ASP A 51 -0.386 10.351 -11.729 1.00 0.00 O ATOM 872 CB ASP A 51 2.233 10.072 -12.688 1.00 0.00 C ATOM 873 CG ASP A 51 1.580 10.871 -13.816 1.00 0.00 C ATOM 874 OD1 ASP A 51 1.742 12.088 -13.867 1.00 0.00 O ATOM 875 OD2 ASP A 51 0.846 10.151 -14.712 1.00 0.00 O ATOM 0 H ASP A 51 2.257 9.209 -9.871 1.00 0.00 H new ATOM 0 HA ASP A 51 2.227 11.736 -11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.309 10.025 -12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.862 9.048 -12.711 1.00 0.00 H new ATOM 881 N GLY A 52 0.215 10.742 -9.592 1.00 0.00 N ATOM 882 CA GLY A 52 -1.108 10.588 -9.008 1.00 0.00 C ATOM 883 C GLY A 52 -1.715 9.207 -9.270 1.00 0.00 C ATOM 884 O GLY A 52 -2.925 9.097 -9.458 1.00 0.00 O ATOM 0 H GLY A 52 0.931 10.984 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.047 10.755 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.770 11.354 -9.413 1.00 0.00 H new ATOM 888 N SER A 53 -0.882 8.159 -9.323 1.00 0.00 N ATOM 889 CA SER A 53 -1.317 6.820 -9.691 1.00 0.00 C ATOM 890 C SER A 53 -0.520 5.778 -8.910 1.00 0.00 C ATOM 891 O SER A 53 0.526 5.331 -9.375 1.00 0.00 O ATOM 892 CB SER A 53 -1.145 6.634 -11.204 1.00 0.00 C ATOM 893 OG SER A 53 -1.850 7.628 -11.917 1.00 0.00 O ATOM 0 H SER A 53 0.113 8.224 -9.110 1.00 0.00 H new ATOM 0 HA SER A 53 -2.370 6.689 -9.441 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.087 6.677 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.504 5.647 -11.496 1.00 0.00 H new ATOM 0 HG SER A 53 -1.374 8.482 -11.845 1.00 0.00 H new ATOM 899 N VAL A 54 -1.019 5.375 -7.737 1.00 0.00 N ATOM 900 CA VAL A 54 -0.412 4.330 -6.919 1.00 0.00 C ATOM 901 C VAL A 54 -1.147 3.015 -7.163 1.00 0.00 C ATOM 902 O VAL A 54 -2.357 2.927 -6.951 1.00 0.00 O ATOM 903 CB VAL A 54 -0.360 4.728 -5.428 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.680 5.272 -4.873 1.00 0.00 C ATOM 905 CG2 VAL A 54 0.084 3.547 -4.552 1.00 0.00 C ATOM 0 H VAL A 54 -1.865 5.772 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 54 0.628 4.195 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 54 0.370 5.536 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.555 5.527 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.969 6.163 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.457 4.514 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.111 3.858 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.621 2.724 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.077 3.220 -4.859 1.00 0.00 H new ATOM 915 N GLU A 55 -0.413 1.988 -7.609 1.00 0.00 N ATOM 916 CA GLU A 55 -0.952 0.643 -7.715 1.00 0.00 C ATOM 917 C GLU A 55 -0.800 -0.043 -6.363 1.00 0.00 C ATOM 918 O GLU A 55 0.203 0.157 -5.678 1.00 0.00 O ATOM 919 CB GLU A 55 -0.270 -0.144 -8.850 1.00 0.00 C ATOM 920 CG GLU A 55 1.085 -0.781 -8.494 1.00 0.00 C ATOM 921 CD GLU A 55 0.960 -2.054 -7.646 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.165 -2.926 -7.983 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.746 -2.124 -6.532 1.00 0.00 O ATOM 0 H GLU A 55 0.560 2.073 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.010 0.684 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.947 -0.932 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.125 0.526 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.619 -1.018 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.689 -0.052 -7.954 1.00 0.00 H new ATOM 931 N VAL A 56 -1.782 -0.865 -5.995 1.00 0.00 N ATOM 932 CA VAL A 56 -1.717 -1.723 -4.826 1.00 0.00 C ATOM 933 C VAL A 56 -2.100 -3.135 -5.255 1.00 0.00 C ATOM 934 O VAL A 56 -3.154 -3.311 -5.860 1.00 0.00 O ATOM 935 CB VAL A 56 -2.678 -1.201 -3.746 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.616 -2.102 -2.508 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.330 0.238 -3.336 1.00 0.00 C ATOM 0 H VAL A 56 -2.657 -0.950 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.711 -1.728 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.684 -1.211 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.300 -1.724 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.903 -3.117 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.601 -2.106 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.028 0.577 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.315 0.268 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.399 0.891 -4.206 1.00 0.00 H new ATOM 947 N VAL A 57 -1.286 -4.132 -4.890 1.00 0.00 N ATOM 948 CA VAL A 57 -1.731 -5.519 -4.812 1.00 0.00 C ATOM 949 C VAL A 57 -1.843 -5.889 -3.334 1.00 0.00 C ATOM 950 O VAL A 57 -1.037 -5.425 -2.528 1.00 0.00 O ATOM 951 CB VAL A 57 -0.818 -6.475 -5.604 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.019 -6.274 -7.107 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.666 -6.317 -5.258 1.00 0.00 C ATOM 0 H VAL A 57 -0.306 -3.996 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.707 -5.624 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.107 -7.486 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.368 -6.955 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.058 -6.478 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.774 -5.246 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.254 -7.018 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.985 -5.299 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.816 -6.522 -4.198 1.00 0.00 H new ATOM 963 N ALA A 58 -2.869 -6.676 -2.982 1.00 0.00 N ATOM 964 CA ALA A 58 -3.191 -7.037 -1.607 1.00 0.00 C ATOM 965 C ALA A 58 -3.768 -8.454 -1.574 1.00 0.00 C ATOM 966 O ALA A 58 -4.741 -8.738 -2.266 1.00 0.00 O ATOM 967 CB ALA A 58 -4.197 -6.040 -1.035 1.00 0.00 C ATOM 0 H ALA A 58 -3.508 -7.085 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.286 -7.009 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.435 -6.313 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.768 -5.038 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.107 -6.056 -1.635 1.00 0.00 H new ATOM 973 N GLU A 59 -3.129 -9.345 -0.809 1.00 0.00 N ATOM 974 CA GLU A 59 -3.190 -10.782 -1.005 1.00 0.00 C ATOM 975 C GLU A 59 -3.647 -11.499 0.260 1.00 0.00 C ATOM 976 O GLU A 59 -2.934 -11.477 1.264 1.00 0.00 O ATOM 977 CB GLU A 59 -1.791 -11.274 -1.389 1.00 0.00 C ATOM 978 CG GLU A 59 -1.249 -10.550 -2.625 1.00 0.00 C ATOM 979 CD GLU A 59 0.112 -11.091 -3.039 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.894 -11.485 -2.177 1.00 0.00 O ATOM 981 OE2 GLU A 59 0.364 -11.099 -4.377 1.00 0.00 O ATOM 0 H GLU A 59 -2.543 -9.072 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.912 -11.001 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.110 -11.121 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.824 -12.346 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.952 -10.662 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.169 -9.483 -2.417 1.00 0.00 H new ATOM 989 N GLY A 60 -4.802 -12.170 0.211 1.00 0.00 N ATOM 990 CA GLY A 60 -5.247 -12.993 1.321 1.00 0.00 C ATOM 991 C GLY A 60 -6.628 -13.590 1.082 1.00 0.00 C ATOM 992 O GLY A 60 -7.177 -13.506 -0.015 1.00 0.00 O ATOM 0 H GLY A 60 -5.438 -12.155 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.530 -13.797 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.266 -12.393 2.231 1.00 0.00 H new ATOM 996 N TYR A 61 -7.177 -14.204 2.135 1.00 0.00 N ATOM 997 CA TYR A 61 -8.526 -14.737 2.161 1.00 0.00 C ATOM 998 C TYR A 61 -9.544 -13.605 2.006 1.00 0.00 C ATOM 999 O TYR A 61 -9.207 -12.432 2.152 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.719 -15.496 3.474 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.024 -16.840 3.555 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -8.612 -17.972 2.960 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -6.846 -16.981 4.313 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -8.040 -19.243 3.149 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.276 -18.251 4.500 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.880 -19.384 3.928 1.00 0.00 C ATOM 1007 OH TYR A 61 -6.340 -20.622 4.122 1.00 0.00 O ATOM 0 H TYR A 61 -6.675 -14.343 3.012 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.682 -15.424 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.361 -14.871 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.787 -15.648 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.502 -17.865 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.380 -16.111 4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.493 -20.112 2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.373 -18.357 5.083 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.540 -20.546 4.683 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.791 -13.960 1.683 1.00 0.00 N ATOM 1018 CA GLU A 62 -11.804 -12.994 1.284 1.00 0.00 C ATOM 1019 C GLU A 62 -12.491 -12.290 2.451 1.00 0.00 C ATOM 1020 O GLU A 62 -12.971 -11.170 2.283 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.816 -13.609 0.324 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.594 -14.781 0.937 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.614 -15.379 -0.030 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.767 -14.888 -1.146 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -15.304 -16.458 0.438 1.00 0.00 O ATOM 0 H GLU A 62 -11.121 -14.925 1.692 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.263 -12.210 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.520 -12.840 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.296 -13.954 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.893 -15.557 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.107 -14.441 1.836 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.517 -12.913 3.635 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.962 -12.241 4.838 1.00 0.00 C ATOM 1035 C GLU A 63 -11.997 -11.089 5.118 1.00 0.00 C ATOM 1036 O GLU A 63 -12.415 -9.938 5.228 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.024 -13.248 5.993 1.00 0.00 C ATOM 1038 CG GLU A 63 -14.033 -14.368 5.714 1.00 0.00 C ATOM 1039 CD GLU A 63 -14.156 -15.308 6.910 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -15.200 -15.334 7.556 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -13.059 -16.071 7.181 1.00 0.00 O ATOM 0 H GLU A 63 -12.233 -13.883 3.775 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.965 -11.831 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.036 -13.680 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.299 -12.731 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.007 -13.935 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.721 -14.932 4.835 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.694 -11.389 5.157 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.662 -10.390 5.364 1.00 0.00 C ATOM 1051 C ALA A 64 -9.517 -9.446 4.170 1.00 0.00 C ATOM 1052 O ALA A 64 -9.033 -8.330 4.354 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.346 -11.089 5.709 1.00 0.00 C ATOM 0 H ALA A 64 -10.334 -12.337 5.045 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.955 -9.757 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.568 -10.342 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.473 -11.676 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.058 -11.747 4.889 1.00 0.00 H new ATOM 1059 N LEU A 65 -9.965 -9.846 2.968 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.003 -8.919 1.849 1.00 0.00 C ATOM 1061 C LEU A 65 -11.062 -7.863 2.130 1.00 0.00 C ATOM 1062 O LEU A 65 -10.717 -6.693 2.228 1.00 0.00 O ATOM 1063 CB LEU A 65 -10.244 -9.624 0.519 1.00 0.00 C ATOM 1064 CG LEU A 65 -10.236 -8.655 -0.668 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.002 -7.748 -0.731 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -10.272 -9.487 -1.943 1.00 0.00 C ATOM 0 H LEU A 65 -10.297 -10.787 2.759 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.028 -8.441 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.476 -10.383 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.202 -10.142 0.554 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.101 -8.001 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.075 -7.094 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.948 -7.144 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.104 -8.360 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.267 -8.826 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.398 -10.137 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.177 -10.095 -1.955 1.00 0.00 H new ATOM 1078 N SER A 66 -12.331 -8.267 2.274 1.00 0.00 N ATOM 1079 CA SER A 66 -13.452 -7.362 2.507 1.00 0.00 C ATOM 1080 C SER A 66 -13.160 -6.340 3.605 1.00 0.00 C ATOM 1081 O SER A 66 -13.394 -5.156 3.395 1.00 0.00 O ATOM 1082 CB SER A 66 -14.729 -8.165 2.784 1.00 0.00 C ATOM 1083 OG SER A 66 -14.651 -8.866 4.005 1.00 0.00 O ATOM 0 H SER A 66 -12.606 -9.248 2.230 1.00 0.00 H new ATOM 0 HA SER A 66 -13.607 -6.779 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.585 -7.491 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.899 -8.870 1.970 1.00 0.00 H new ATOM 0 HG SER A 66 -13.721 -9.123 4.176 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.609 -6.781 4.743 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.223 -5.885 5.827 1.00 0.00 C ATOM 1091 C LYS A 67 -11.333 -4.734 5.329 1.00 0.00 C ATOM 1092 O LYS A 67 -11.615 -3.578 5.636 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.531 -6.672 6.950 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.487 -7.087 8.080 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.431 -8.226 7.684 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.438 -8.502 8.804 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.286 -9.622 8.441 1.00 0.00 N ATOM 0 H LYS A 67 -12.421 -7.765 4.932 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.132 -5.435 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.070 -7.565 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.728 -6.065 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.902 -7.393 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.078 -6.223 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.960 -7.966 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.855 -9.127 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.911 -8.720 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.048 -7.616 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.967 -9.804 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.800 -9.398 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.699 -10.468 8.292 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.284 -5.046 4.553 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.375 -4.075 3.945 1.00 0.00 C ATOM 1112 C LEU A 68 -10.101 -3.247 2.877 1.00 0.00 C ATOM 1113 O LEU A 68 -10.071 -2.018 2.908 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.149 -4.821 3.385 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.373 -4.108 2.266 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.799 -2.757 2.700 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.228 -5.010 1.798 1.00 0.00 C ATOM 0 H LEU A 68 -10.042 -6.011 4.327 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.026 -3.366 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.461 -5.016 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.479 -5.789 3.009 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.080 -3.913 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.263 -2.305 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.611 -2.099 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.114 -2.904 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.673 -4.511 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.560 -5.214 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.635 -5.949 1.421 1.00 0.00 H new ATOM 1129 N LEU A 69 -10.726 -3.920 1.911 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.375 -3.315 0.767 1.00 0.00 C ATOM 1131 C LEU A 69 -12.339 -2.211 1.226 1.00 0.00 C ATOM 1132 O LEU A 69 -12.278 -1.079 0.754 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.088 -4.466 0.035 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.346 -4.299 -1.463 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -13.308 -3.154 -1.770 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.056 -4.159 -2.283 1.00 0.00 C ATOM 0 H LEU A 69 -10.792 -4.938 1.911 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.671 -2.825 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.497 -5.371 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.047 -4.633 0.525 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.827 -5.227 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.455 -3.081 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.266 -3.344 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.891 -2.219 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.306 -4.044 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.502 -3.284 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.442 -5.050 -2.151 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.195 -2.546 2.197 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.180 -1.662 2.801 1.00 0.00 C ATOM 1150 C GLU A 70 -13.526 -0.543 3.625 1.00 0.00 C ATOM 1151 O GLU A 70 -14.027 0.577 3.610 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.136 -2.501 3.656 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.019 -3.413 2.795 1.00 0.00 C ATOM 1154 CD GLU A 70 -16.909 -4.297 3.662 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.117 -4.077 3.714 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.278 -5.301 4.338 1.00 0.00 O ATOM 0 H GLU A 70 -13.216 -3.484 2.597 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.739 -1.164 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.561 -3.107 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.767 -1.840 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.638 -2.806 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.391 -4.037 2.159 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.415 -0.823 4.322 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.574 0.169 5.008 1.00 0.00 C ATOM 1166 C ARG A 71 -11.279 1.376 4.112 1.00 0.00 C ATOM 1167 O ARG A 71 -11.359 2.521 4.556 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.311 -0.524 5.558 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.941 0.004 5.123 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.535 1.251 5.907 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.330 1.842 5.311 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.333 2.754 4.327 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.460 3.384 3.979 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.197 3.042 3.680 1.00 0.00 N ATOM 0 H ARG A 71 -12.066 -1.776 4.427 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.113 0.582 5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.354 -0.477 6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.364 -1.577 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.191 -0.774 5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.963 0.236 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.348 1.977 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.347 0.992 6.949 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.426 1.537 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.332 3.173 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.447 4.075 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.331 2.568 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.198 3.735 2.932 1.00 0.00 H new ATOM 1188 N ILE A 72 -10.959 1.110 2.845 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.760 2.146 1.838 1.00 0.00 C ATOM 1190 C ILE A 72 -12.061 2.912 1.593 1.00 0.00 C ATOM 1191 O ILE A 72 -12.087 4.127 1.772 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.121 1.574 0.563 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.713 1.029 0.874 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.030 2.648 -0.534 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.307 -0.051 -0.129 1.00 0.00 C ATOM 0 H ILE A 72 -10.830 0.163 2.489 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.043 2.876 2.214 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.752 0.761 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.990 1.844 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.693 0.618 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.574 2.219 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.030 3.008 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.421 3.479 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.310 -0.417 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.018 -0.876 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.304 0.369 -1.135 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.126 2.224 1.171 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.334 2.899 0.710 1.00 0.00 C ATOM 1209 C LYS A 73 -14.970 3.746 1.821 1.00 0.00 C ATOM 1210 O LYS A 73 -15.399 4.870 1.569 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.325 1.878 0.127 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.003 1.506 -1.334 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.801 0.561 -1.471 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.382 0.320 -2.926 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.427 -0.359 -3.667 1.00 0.00 N ATOM 0 H LYS A 73 -13.173 1.206 1.141 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.056 3.591 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.313 0.976 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.334 2.286 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.878 1.036 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.806 2.417 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.957 0.976 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.044 -0.395 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.154 1.273 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.469 -0.276 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.002 -0.917 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.951 -0.991 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.079 0.344 -4.070 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.006 3.213 3.048 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.496 3.901 4.234 1.00 0.00 C ATOM 1230 C GLN A 74 -14.552 5.035 4.639 1.00 0.00 C ATOM 1231 O GLN A 74 -15.015 6.130 4.950 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.649 2.885 5.375 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.280 3.514 6.622 1.00 0.00 C ATOM 1234 CD GLN A 74 -16.489 2.472 7.718 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -17.622 2.148 8.066 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -15.392 1.943 8.265 1.00 0.00 N ATOM 0 H GLN A 74 -14.685 2.265 3.242 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.466 4.347 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.265 2.051 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.671 2.476 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.639 4.313 6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.236 3.968 6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.469 2.240 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.476 1.242 9.001 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.239 4.762 4.659 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.204 5.694 5.084 1.00 0.00 C ATOM 1247 C GLY A 75 -11.341 6.128 3.898 1.00 0.00 C ATOM 1248 O GLY A 75 -10.232 5.617 3.746 1.00 0.00 O ATOM 0 H GLY A 75 -12.865 3.858 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.663 6.569 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.577 5.226 5.843 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.811 7.065 3.057 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.057 7.553 1.912 1.00 0.00 C ATOM 1254 C PRO A 76 -9.867 8.405 2.375 1.00 0.00 C ATOM 1255 O PRO A 76 -9.884 8.934 3.486 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.054 8.384 1.097 1.00 0.00 C ATOM 1257 CG PRO A 76 -13.018 8.904 2.160 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.101 7.731 3.133 1.00 0.00 C ATOM 0 HA PRO A 76 -10.638 6.741 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.561 9.198 0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.566 7.779 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.642 9.806 2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.992 9.151 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.304 8.077 4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.909 7.052 2.860 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.833 8.552 1.533 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.674 9.383 1.825 1.00 0.00 C ATOM 1268 C PRO A 77 -8.037 10.866 1.787 1.00 0.00 C ATOM 1269 O PRO A 77 -9.082 11.246 1.260 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.655 9.041 0.741 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.525 8.629 -0.443 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.717 7.945 0.218 1.00 0.00 C ATOM 0 HA PRO A 77 -7.283 9.195 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.024 9.896 0.498 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.992 8.234 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.833 9.491 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.996 7.954 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.627 8.093 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.559 6.869 0.295 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.152 11.707 2.333 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.378 13.138 2.468 1.00 0.00 C ATOM 1282 C ALA A 78 -6.995 13.885 1.185 1.00 0.00 C ATOM 1283 O ALA A 78 -6.379 14.947 1.250 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.604 13.653 3.687 1.00 0.00 C ATOM 0 H ALA A 78 -6.249 11.402 2.696 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.440 13.325 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.768 14.725 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.953 13.140 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.540 13.461 3.550 1.00 0.00 H new ATOM 1290 N ALA A 79 -7.367 13.337 0.020 1.00 0.00 N ATOM 1291 CA ALA A 79 -7.148 13.955 -1.276 1.00 0.00 C ATOM 1292 C ALA A 79 -8.267 13.566 -2.237 1.00 0.00 C ATOM 1293 O ALA A 79 -9.087 12.698 -1.940 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.806 13.512 -1.843 1.00 0.00 C ATOM 0 H ALA A 79 -7.837 12.434 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.145 15.038 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.649 13.980 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.008 13.811 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.799 12.428 -1.957 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.260 14.206 -3.409 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.143 13.894 -4.517 1.00 0.00 C ATOM 1302 C GLU A 80 -8.757 12.540 -5.117 1.00 0.00 C ATOM 1303 O GLU A 80 -7.995 12.480 -6.081 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.071 15.014 -5.564 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.591 16.345 -5.010 1.00 0.00 C ATOM 1306 CD GLU A 80 -9.564 17.436 -6.075 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -8.761 18.361 -5.976 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.464 17.297 -7.092 1.00 0.00 O ATOM 0 H GLU A 80 -7.620 14.974 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.172 13.826 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.040 15.136 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.656 14.731 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.610 16.216 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.983 16.650 -4.159 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.306 11.461 -4.546 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.231 10.108 -5.074 1.00 0.00 C ATOM 1318 C VAL A 81 -10.091 10.008 -6.334 1.00 0.00 C ATOM 1319 O VAL A 81 -11.230 9.548 -6.301 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.553 9.090 -3.962 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.952 9.197 -3.335 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.305 7.653 -4.441 1.00 0.00 C ATOM 0 H VAL A 81 -9.831 11.516 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.220 9.857 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.862 9.354 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.066 8.432 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.076 10.183 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.708 9.051 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.540 6.956 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.940 7.442 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.259 7.540 -4.725 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.508 10.483 -7.441 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.073 10.554 -8.776 1.00 0.00 C ATOM 1334 C GLU A 82 -10.908 9.317 -9.092 1.00 0.00 C ATOM 1335 O GLU A 82 -12.122 9.431 -9.256 1.00 0.00 O ATOM 1336 CB GLU A 82 -8.918 10.753 -9.769 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.351 10.852 -11.237 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.466 11.871 -11.457 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -11.562 11.489 -11.860 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -10.153 13.169 -11.181 1.00 0.00 O ATOM 0 H GLU A 82 -8.558 10.853 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.759 11.398 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.377 11.661 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.219 9.923 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.490 11.125 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.687 9.873 -11.579 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.259 8.148 -9.164 1.00 0.00 N ATOM 1349 CA LYS A 83 -10.918 6.882 -9.453 1.00 0.00 C ATOM 1350 C LYS A 83 -10.151 5.743 -8.807 1.00 0.00 C ATOM 1351 O LYS A 83 -8.933 5.789 -8.717 1.00 0.00 O ATOM 1352 CB LYS A 83 -10.962 6.606 -10.962 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.815 7.585 -11.767 1.00 0.00 C ATOM 1354 CD LYS A 83 -13.318 7.417 -11.524 1.00 0.00 C ATOM 1355 CE LYS A 83 -14.086 8.461 -12.338 1.00 0.00 C ATOM 1356 NZ LYS A 83 -15.513 8.298 -12.138 1.00 0.00 N ATOM 0 H LYS A 83 -9.253 8.061 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.933 6.949 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.944 6.628 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.343 5.597 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.524 8.604 -11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.608 7.450 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.633 6.413 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.541 7.531 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.781 9.464 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.845 8.358 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.025 9.011 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.800 7.347 -12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.738 8.419 -11.130 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.872 4.706 -8.390 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.274 3.473 -7.896 1.00 0.00 C ATOM 1371 C VAL A 84 -10.842 2.304 -8.697 1.00 0.00 C ATOM 1372 O VAL A 84 -11.811 1.667 -8.288 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.430 3.367 -6.369 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.844 3.639 -5.848 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.892 2.021 -5.866 1.00 0.00 C ATOM 0 H VAL A 84 -11.892 4.699 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.195 3.459 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.827 4.174 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.857 3.541 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.146 4.649 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.537 2.920 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.010 1.963 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.447 1.209 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.836 1.933 -6.121 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.248 2.037 -9.866 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.730 1.006 -10.774 1.00 0.00 C ATOM 1387 C ASP A 85 -10.098 -0.318 -10.365 1.00 0.00 C ATOM 1388 O ASP A 85 -9.243 -0.853 -11.070 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.406 1.388 -12.225 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.949 0.366 -13.224 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.081 -0.089 -13.075 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.107 0.019 -14.239 1.00 0.00 O ATOM 0 H ASP A 85 -9.422 2.532 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.814 0.907 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.829 2.368 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.326 1.473 -12.345 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.502 -0.827 -9.196 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.918 -2.040 -8.654 1.00 0.00 C ATOM 1400 C TYR A 86 -10.405 -3.266 -9.420 1.00 0.00 C ATOM 1401 O TYR A 86 -11.419 -3.217 -10.117 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.185 -2.180 -7.148 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.544 -2.745 -6.774 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.680 -1.917 -6.789 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.675 -4.105 -6.423 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.939 -2.439 -6.451 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.933 -4.623 -6.069 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.065 -3.789 -6.079 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.287 -4.284 -5.729 1.00 0.00 O ATOM 0 H TYR A 86 -11.230 -0.412 -8.614 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.838 -1.969 -8.781 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.414 -2.820 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.079 -1.199 -6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.584 -0.876 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.808 -4.749 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.811 -1.803 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.030 -5.662 -5.789 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.202 -5.233 -5.500 1.00 0.00 H new ATOM 1419 N SER A 87 -9.683 -4.374 -9.254 1.00 0.00 N ATOM 1420 CA SER A 87 -10.051 -5.666 -9.801 1.00 0.00 C ATOM 1421 C SER A 87 -9.577 -6.763 -8.857 1.00 0.00 C ATOM 1422 O SER A 87 -8.433 -6.760 -8.409 1.00 0.00 O ATOM 1423 CB SER A 87 -9.449 -5.843 -11.198 1.00 0.00 C ATOM 1424 OG SER A 87 -9.902 -7.048 -11.781 1.00 0.00 O ATOM 0 H SER A 87 -8.811 -4.392 -8.725 1.00 0.00 H new ATOM 0 HA SER A 87 -11.135 -5.728 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.726 -4.999 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.361 -5.849 -11.134 1.00 0.00 H new ATOM 0 HG SER A 87 -9.511 -7.147 -12.674 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.471 -7.712 -8.583 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.181 -8.943 -7.871 1.00 0.00 C ATOM 1432 C PHE A 88 -9.629 -9.955 -8.882 1.00 0.00 C ATOM 1433 O PHE A 88 -10.156 -10.060 -9.990 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.468 -9.398 -7.158 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.860 -10.848 -7.370 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.175 -11.878 -6.700 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.835 -11.166 -8.335 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.454 -13.222 -7.012 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -13.124 -12.508 -8.633 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.427 -13.536 -7.976 1.00 0.00 C ATOM 0 H PHE A 88 -11.449 -7.637 -8.863 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.421 -8.822 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.349 -9.226 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.290 -8.766 -7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.437 -11.638 -5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.362 -10.375 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.919 -14.014 -6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.880 -12.749 -9.365 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.639 -14.568 -8.212 1.00 0.00 H new ATOM 1450 N SER A 89 -8.557 -10.673 -8.513 1.00 0.00 N ATOM 1451 CA SER A 89 -7.903 -11.672 -9.353 1.00 0.00 C ATOM 1452 C SER A 89 -7.718 -12.982 -8.581 1.00 0.00 C ATOM 1453 O SER A 89 -8.152 -13.095 -7.437 1.00 0.00 O ATOM 1454 CB SER A 89 -6.566 -11.126 -9.873 1.00 0.00 C ATOM 1455 OG SER A 89 -6.716 -9.810 -10.365 1.00 0.00 O ATOM 0 H SER A 89 -8.115 -10.568 -7.600 1.00 0.00 H new ATOM 0 HA SER A 89 -8.535 -11.887 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.828 -11.137 -9.071 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.187 -11.773 -10.664 1.00 0.00 H new ATOM 0 HG SER A 89 -5.852 -9.482 -10.689 1.00 0.00 H new ATOM 1461 N GLU A 90 -7.083 -13.977 -9.213 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.885 -15.307 -8.643 1.00 0.00 C ATOM 1463 C GLU A 90 -5.576 -15.381 -7.862 1.00 0.00 C ATOM 1464 O GLU A 90 -4.708 -14.523 -8.012 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.906 -16.356 -9.769 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.543 -16.537 -10.452 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.671 -17.270 -11.784 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -5.319 -18.444 -11.865 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.175 -16.537 -12.817 1.00 0.00 O ATOM 0 H GLU A 90 -6.688 -13.875 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.696 -15.514 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.230 -17.313 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.644 -16.063 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.086 -15.561 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.877 -17.094 -9.793 1.00 0.00 H new ATOM 1477 N TYR A 91 -5.416 -16.449 -7.075 1.00 0.00 N ATOM 1478 CA TYR A 91 -4.140 -16.834 -6.489 1.00 0.00 C ATOM 1479 C TYR A 91 -3.075 -17.011 -7.582 1.00 0.00 C ATOM 1480 O TYR A 91 -3.002 -18.070 -8.203 1.00 0.00 O ATOM 1481 CB TYR A 91 -4.325 -18.140 -5.704 1.00 0.00 C ATOM 1482 CG TYR A 91 -3.015 -18.702 -5.190 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -2.255 -17.951 -4.277 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -2.426 -19.795 -5.853 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -0.902 -18.263 -4.061 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.073 -20.105 -5.642 1.00 0.00 C ATOM 1487 CZ TYR A 91 -0.310 -19.340 -4.743 1.00 0.00 C ATOM 1488 OH TYR A 91 1.007 -19.632 -4.538 1.00 0.00 O ATOM 0 H TYR A 91 -6.182 -17.075 -6.827 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.800 -16.048 -5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.995 -17.962 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.807 -18.879 -6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.712 -17.133 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.017 -20.398 -6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.316 -17.675 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.619 -20.931 -6.170 1.00 0.00 H new ATOM 0 HH TYR A 91 1.260 -20.405 -5.084 1.00 0.00 H new ATOM 1498 N LYS A 92 -2.256 -15.980 -7.820 1.00 0.00 N ATOM 1499 CA LYS A 92 -1.196 -16.013 -8.821 1.00 0.00 C ATOM 1500 C LYS A 92 0.157 -16.276 -8.154 1.00 0.00 C ATOM 1501 O LYS A 92 0.847 -17.225 -8.521 1.00 0.00 O ATOM 1502 CB LYS A 92 -1.200 -14.706 -9.625 1.00 0.00 C ATOM 1503 CG LYS A 92 -0.362 -14.791 -10.910 1.00 0.00 C ATOM 1504 CD LYS A 92 -1.208 -15.020 -12.170 1.00 0.00 C ATOM 1505 CE LYS A 92 -1.955 -16.358 -12.163 1.00 0.00 C ATOM 1506 NZ LYS A 92 -2.638 -16.549 -13.427 1.00 0.00 N ATOM 0 H LYS A 92 -2.315 -15.095 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.376 -16.832 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.227 -14.448 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.816 -13.900 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.208 -13.869 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.360 -15.602 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.930 -14.209 -12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.561 -14.977 -13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.254 -17.175 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.674 -16.378 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.142 -17.458 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.319 -15.777 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.943 -16.549 -14.201 1.00 0.00 H new ATOM 1519 N GLY A 93 0.545 -15.428 -7.190 1.00 0.00 N ATOM 1520 CA GLY A 93 1.844 -15.510 -6.539 1.00 0.00 C ATOM 1521 C GLY A 93 1.878 -14.654 -5.275 1.00 0.00 C ATOM 1522 O GLY A 93 1.411 -13.515 -5.281 1.00 0.00 O ATOM 0 H GLY A 93 -0.041 -14.667 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.063 -16.547 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.621 -15.179 -7.228 1.00 0.00 H new ATOM 1526 N GLU A 94 2.435 -15.212 -4.194 1.00 0.00 N ATOM 1527 CA GLU A 94 2.536 -14.576 -2.893 1.00 0.00 C ATOM 1528 C GLU A 94 3.731 -13.619 -2.851 1.00 0.00 C ATOM 1529 O GLU A 94 4.874 -14.031 -2.660 1.00 0.00 O ATOM 1530 CB GLU A 94 2.547 -15.617 -1.762 1.00 0.00 C ATOM 1531 CG GLU A 94 3.563 -16.759 -1.914 1.00 0.00 C ATOM 1532 CD GLU A 94 3.558 -17.659 -0.683 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.093 -18.794 -0.764 1.00 0.00 O ATOM 1534 OE2 GLU A 94 4.084 -17.118 0.454 1.00 0.00 O ATOM 0 H GLU A 94 2.838 -16.149 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 94 1.646 -13.968 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.745 -15.102 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.550 -16.051 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.325 -17.347 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.561 -16.346 -2.064 1.00 0.00 H new ATOM 1542 N PHE A 95 3.449 -12.323 -3.005 1.00 0.00 N ATOM 1543 CA PHE A 95 4.390 -11.237 -2.790 1.00 0.00 C ATOM 1544 C PHE A 95 4.538 -11.058 -1.276 1.00 0.00 C ATOM 1545 O PHE A 95 3.996 -10.112 -0.705 1.00 0.00 O ATOM 1546 CB PHE A 95 3.857 -9.955 -3.449 1.00 0.00 C ATOM 1547 CG PHE A 95 3.886 -9.849 -4.968 1.00 0.00 C ATOM 1548 CD1 PHE A 95 4.059 -10.973 -5.803 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.795 -8.568 -5.548 1.00 0.00 C ATOM 1550 CE1 PHE A 95 4.151 -10.811 -7.197 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.901 -8.406 -6.940 1.00 0.00 C ATOM 1552 CZ PHE A 95 4.079 -9.528 -7.766 1.00 0.00 C ATOM 0 H PHE A 95 2.526 -11.997 -3.293 1.00 0.00 H new ATOM 0 HA PHE A 95 5.360 -11.457 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.824 -9.823 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.425 -9.116 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.121 -11.961 -5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.643 -7.704 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.277 -11.675 -7.832 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.846 -7.419 -7.375 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.160 -9.405 -8.836 1.00 0.00 H new ATOM 1562 N GLU A 96 5.225 -12.013 -0.634 1.00 0.00 N ATOM 1563 CA GLU A 96 5.252 -12.215 0.806 1.00 0.00 C ATOM 1564 C GLU A 96 6.109 -11.176 1.541 1.00 0.00 C ATOM 1565 O GLU A 96 7.151 -11.497 2.107 1.00 0.00 O ATOM 1566 CB GLU A 96 5.609 -13.676 1.131 1.00 0.00 C ATOM 1567 CG GLU A 96 6.933 -14.177 0.534 1.00 0.00 C ATOM 1568 CD GLU A 96 7.150 -15.649 0.866 1.00 0.00 C ATOM 1569 OE1 GLU A 96 7.083 -16.488 -0.029 1.00 0.00 O ATOM 1570 OE2 GLU A 96 7.405 -15.933 2.176 1.00 0.00 O ATOM 0 H GLU A 96 5.800 -12.691 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 96 4.249 -12.042 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.652 -13.790 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.803 -14.318 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.925 -14.040 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.761 -13.585 0.924 1.00 0.00 H new ATOM 1578 N ASP A 97 5.618 -9.932 1.539 1.00 0.00 N ATOM 1579 CA ASP A 97 6.210 -8.721 2.098 1.00 0.00 C ATOM 1580 C ASP A 97 5.408 -7.555 1.524 1.00 0.00 C ATOM 1581 O ASP A 97 5.755 -7.036 0.464 1.00 0.00 O ATOM 1582 CB ASP A 97 7.703 -8.589 1.735 1.00 0.00 C ATOM 1583 CG ASP A 97 8.259 -7.200 2.054 1.00 0.00 C ATOM 1584 OD1 ASP A 97 8.726 -6.513 1.149 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.189 -6.809 3.359 1.00 0.00 O ATOM 0 H ASP A 97 4.716 -9.734 1.107 1.00 0.00 H new ATOM 0 HA ASP A 97 6.169 -8.742 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.275 -9.340 2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.836 -8.796 0.673 1.00 0.00 H new ATOM 1591 N PHE A 98 4.328 -7.146 2.203 1.00 0.00 N ATOM 1592 CA PHE A 98 3.506 -6.049 1.722 1.00 0.00 C ATOM 1593 C PHE A 98 4.177 -4.738 2.104 1.00 0.00 C ATOM 1594 O PHE A 98 3.837 -4.165 3.134 1.00 0.00 O ATOM 1595 CB PHE A 98 2.085 -6.148 2.281 1.00 0.00 C ATOM 1596 CG PHE A 98 1.001 -5.313 1.612 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.291 -4.273 0.706 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.340 -5.640 1.873 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.247 -3.602 0.046 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.382 -4.953 1.232 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.090 -3.930 0.320 1.00 0.00 C ATOM 0 H PHE A 98 4.012 -7.560 3.080 1.00 0.00 H new ATOM 0 HA PHE A 98 3.416 -6.097 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.779 -7.193 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.119 -5.871 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.317 -3.991 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.571 -6.428 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.475 -2.831 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.409 -5.213 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.891 -3.396 -0.170 1.00 0.00 H new ATOM 1611 N GLU A 99 5.133 -4.282 1.287 1.00 0.00 N ATOM 1612 CA GLU A 99 5.864 -3.049 1.544 1.00 0.00 C ATOM 1613 C GLU A 99 5.573 -2.033 0.445 1.00 0.00 C ATOM 1614 O GLU A 99 5.119 -2.396 -0.639 1.00 0.00 O ATOM 1615 CB GLU A 99 7.354 -3.357 1.715 1.00 0.00 C ATOM 1616 CG GLU A 99 8.131 -2.115 2.179 1.00 0.00 C ATOM 1617 CD GLU A 99 9.555 -2.447 2.622 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.942 -3.615 2.628 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.318 -1.383 3.001 1.00 0.00 O ATOM 0 H GLU A 99 5.417 -4.761 0.432 1.00 0.00 H new ATOM 0 HA GLU A 99 5.531 -2.596 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.481 -4.160 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.765 -3.714 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.167 -1.389 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.598 -1.644 3.005 1.00 0.00 H new ATOM 1627 N THR A 100 5.798 -0.754 0.748 1.00 0.00 N ATOM 1628 CA THR A 100 5.453 0.344 -0.133 1.00 0.00 C ATOM 1629 C THR A 100 6.692 0.827 -0.890 1.00 0.00 C ATOM 1630 O THR A 100 7.775 0.928 -0.314 1.00 0.00 O ATOM 1631 CB THR A 100 4.734 1.465 0.645 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.608 2.511 1.016 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.032 0.953 1.910 1.00 0.00 C ATOM 0 H THR A 100 6.230 -0.456 1.623 1.00 0.00 H new ATOM 0 HA THR A 100 4.745 -0.003 -0.885 1.00 0.00 H new ATOM 0 HB THR A 100 3.986 1.847 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.108 3.198 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.543 1.785 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.286 0.207 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.767 0.503 2.577 1.00 0.00 H new ATOM 1641 N TYR A 101 6.515 1.135 -2.178 1.00 0.00 N ATOM 1642 CA TYR A 101 7.500 1.863 -2.973 1.00 0.00 C ATOM 1643 C TYR A 101 7.405 3.355 -2.654 1.00 0.00 C ATOM 1644 O TYR A 101 6.320 3.772 -2.188 1.00 0.00 O ATOM 1645 CB TYR A 101 7.211 1.645 -4.458 1.00 0.00 C ATOM 1646 CG TYR A 101 8.361 1.862 -5.409 1.00 0.00 C ATOM 1647 CD1 TYR A 101 9.336 0.859 -5.536 1.00 0.00 C ATOM 1648 CD2 TYR A 101 8.330 2.932 -6.322 1.00 0.00 C ATOM 1649 CE1 TYR A 101 10.349 0.982 -6.502 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.343 3.057 -7.288 1.00 0.00 C ATOM 1651 CZ TYR A 101 10.357 2.085 -7.373 1.00 0.00 C ATOM 1652 OH TYR A 101 11.343 2.201 -8.308 1.00 0.00 O ATOM 1653 OXT TYR A 101 8.401 4.064 -2.913 1.00 0.00 O ATOM 0 H TYR A 101 5.676 0.883 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 101 8.501 1.501 -2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.849 0.625 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.399 2.311 -4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 101 9.307 -0.007 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.529 3.656 -6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 101 11.121 0.230 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.343 3.899 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 101 11.204 3.018 -8.831 1.00 0.00 H new TER 1663 TYR A 101