USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 180:sc=-0.00636 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0392 X(o=-0.046,f=-0.0064) USER MOD Set 2.1: A 48 CYS SG : rot 130:sc= 2.34 USER MOD Set 2.2: A 54 SER OG : rot -83:sc= 1.25 USER MOD Set 2.3: A 71 ASN : amide:sc= -0.542 X(o=3,f=3.4) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 170:sc= 1.36 (180deg=0.764) USER MOD Set 3.2: A 66 TYR OH : rot 167:sc= 1.69 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1.3) USER MOD Single : A 13 TYR OH : rot 13:sc= 1.29 USER MOD Single : A 14 GLN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.87 K(o=0.87,f=-0.00038) USER MOD Single : A 17 HIS : no HE2:sc= 0.891 K(o=0.89,f=-3!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.06 K(o=1.1,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 1.17 K(o=1.2,f=-0.027) USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.724 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.21) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.222 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 53 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.8) USER MOD Single : A 56 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.09) USER MOD Single : A 62 SER OG : rot 94:sc= 1.23 USER MOD Single : A 64 MET CE :methyl 174:sc=-3.11e-05 (180deg=-0.0461) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc= 0 (180deg=-0.13) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 1.51 (180deg=0.859) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.189 0.306 1.047 1.00 0.00 N ATOM 2 CA ALA A 1 0.736 0.170 -0.355 1.00 0.00 C ATOM 3 C ALA A 1 1.393 -1.065 -0.989 1.00 0.00 C ATOM 4 O ALA A 1 2.431 -0.953 -1.645 1.00 0.00 O ATOM 5 CB ALA A 1 1.008 1.465 -1.153 1.00 0.00 C ATOM 0 H1 ALA A 1 0.744 1.142 1.476 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.919 -0.543 1.583 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.223 0.415 1.069 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.344 0.021 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.666 1.338 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.473 2.295 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.077 1.676 -1.150 1.00 0.00 H new ATOM 13 N GLU A 2 0.829 -2.260 -0.785 1.00 0.00 N ATOM 14 CA GLU A 2 1.404 -3.541 -1.197 1.00 0.00 C ATOM 15 C GLU A 2 0.267 -4.565 -1.334 1.00 0.00 C ATOM 16 O GLU A 2 -0.690 -4.530 -0.555 1.00 0.00 O ATOM 17 CB GLU A 2 2.411 -3.991 -0.120 1.00 0.00 C ATOM 18 CG GLU A 2 3.171 -5.280 -0.469 1.00 0.00 C ATOM 19 CD GLU A 2 4.134 -5.688 0.661 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.142 -4.983 0.889 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.899 -6.733 1.310 1.00 0.00 O ATOM 0 H GLU A 2 -0.069 -2.364 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 2 1.919 -3.452 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.132 -3.190 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.879 -4.139 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.460 -6.085 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.732 -5.135 -1.392 1.00 0.00 H new ATOM 28 N HIS A 3 0.406 -5.497 -2.279 1.00 0.00 N ATOM 29 CA HIS A 3 -0.411 -6.696 -2.445 1.00 0.00 C ATOM 30 C HIS A 3 0.529 -7.827 -2.875 1.00 0.00 C ATOM 31 O HIS A 3 1.638 -7.553 -3.333 1.00 0.00 O ATOM 32 CB HIS A 3 -1.476 -6.507 -3.538 1.00 0.00 C ATOM 33 CG HIS A 3 -2.425 -5.353 -3.347 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.303 -5.160 -2.302 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.623 -4.331 -4.234 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.000 -4.038 -2.550 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.626 -3.497 -3.725 1.00 0.00 N ATOM 0 H HIS A 3 1.135 -5.429 -2.989 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.924 -6.916 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.968 -6.378 -4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.061 -7.424 -3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.096 -4.191 -5.167 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.756 -3.627 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.998 -2.651 -4.157 1.00 0.00 H new ATOM 45 N TRP A 4 0.075 -9.079 -2.804 1.00 0.00 N ATOM 46 CA TRP A 4 0.831 -10.244 -3.248 1.00 0.00 C ATOM 47 C TRP A 4 -0.057 -11.041 -4.187 1.00 0.00 C ATOM 48 O TRP A 4 -1.106 -11.531 -3.762 1.00 0.00 O ATOM 49 CB TRP A 4 1.246 -11.109 -2.051 1.00 0.00 C ATOM 50 CG TRP A 4 2.356 -10.580 -1.197 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.275 -9.519 -0.364 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.721 -11.086 -1.060 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.484 -9.321 0.264 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.406 -10.278 -0.102 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.450 -12.149 -1.645 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.738 -10.521 0.268 1.00 0.00 C ATOM 57 CZ3 TRP A 4 5.782 -12.403 -1.274 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.428 -11.590 -0.327 1.00 0.00 C ATOM 0 H TRP A 4 -0.845 -9.313 -2.429 1.00 0.00 H new ATOM 0 HA TRP A 4 1.741 -9.927 -3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.371 -11.259 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.541 -12.090 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.392 -8.915 -0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.674 -8.562 0.918 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.976 -12.774 -2.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.226 -9.895 1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.314 -13.230 -1.721 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.455 -11.787 -0.057 1.00 0.00 H new ATOM 69 N ILE A 5 0.350 -11.159 -5.450 1.00 0.00 N ATOM 70 CA ILE A 5 -0.381 -11.905 -6.460 1.00 0.00 C ATOM 71 C ILE A 5 0.586 -12.974 -6.963 1.00 0.00 C ATOM 72 O ILE A 5 1.616 -12.680 -7.573 1.00 0.00 O ATOM 73 CB ILE A 5 -0.922 -11.002 -7.599 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.976 -9.939 -7.201 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.629 -11.900 -8.632 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.536 -8.851 -6.218 1.00 0.00 C ATOM 0 H ILE A 5 1.208 -10.732 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.280 -12.356 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.041 -10.468 -7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.324 -9.451 -8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.832 -10.457 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.018 -11.285 -9.443 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.918 -12.622 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.452 -12.429 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.369 -8.175 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.221 -9.312 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.704 -8.290 -6.644 1.00 0.00 H new ATOM 88 N ASP A 6 0.258 -14.224 -6.666 1.00 0.00 N ATOM 89 CA ASP A 6 0.900 -15.392 -7.235 1.00 0.00 C ATOM 90 C ASP A 6 0.537 -15.462 -8.718 1.00 0.00 C ATOM 91 O ASP A 6 -0.653 -15.457 -9.046 1.00 0.00 O ATOM 92 CB ASP A 6 0.353 -16.628 -6.521 1.00 0.00 C ATOM 93 CG ASP A 6 0.993 -17.922 -7.002 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.065 -17.893 -7.635 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.385 -18.990 -6.759 1.00 0.00 O ATOM 0 H ASP A 6 -0.483 -14.456 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 6 1.983 -15.342 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.517 -16.524 -5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.725 -16.683 -6.675 1.00 0.00 H new ATOM 100 N VAL A 7 1.526 -15.532 -9.610 1.00 0.00 N ATOM 101 CA VAL A 7 1.304 -15.611 -11.056 1.00 0.00 C ATOM 102 C VAL A 7 1.514 -17.035 -11.589 1.00 0.00 C ATOM 103 O VAL A 7 1.375 -17.277 -12.791 1.00 0.00 O ATOM 104 CB VAL A 7 2.130 -14.545 -11.805 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.791 -13.126 -11.319 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.646 -14.771 -11.709 1.00 0.00 C ATOM 0 H VAL A 7 2.512 -15.536 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 7 0.257 -15.379 -11.252 1.00 0.00 H new ATOM 0 HB VAL A 7 1.849 -14.648 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.391 -12.400 -11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.733 -12.926 -11.490 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.008 -13.045 -10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.166 -13.986 -12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.952 -14.747 -10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.897 -15.741 -12.138 1.00 0.00 H new ATOM 116 N ARG A 8 1.841 -17.976 -10.698 1.00 0.00 N ATOM 117 CA ARG A 8 1.933 -19.405 -10.977 1.00 0.00 C ATOM 118 C ARG A 8 0.590 -19.937 -11.465 1.00 0.00 C ATOM 119 O ARG A 8 -0.453 -19.322 -11.220 1.00 0.00 O ATOM 120 CB ARG A 8 2.283 -20.062 -9.644 1.00 0.00 C ATOM 121 CG ARG A 8 2.811 -21.494 -9.604 1.00 0.00 C ATOM 122 CD ARG A 8 3.225 -21.889 -8.169 1.00 0.00 C ATOM 123 NE ARG A 8 2.414 -21.236 -7.121 1.00 0.00 N ATOM 124 CZ ARG A 8 2.100 -21.707 -5.916 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.502 -22.900 -5.492 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.359 -20.956 -5.125 1.00 0.00 N ATOM 0 H ARG A 8 2.056 -17.751 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 8 2.674 -19.613 -11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.027 -19.430 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.387 -20.032 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.045 -22.179 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.666 -21.589 -10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.142 -22.970 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.274 -21.633 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 8 2.050 -20.311 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.072 -23.491 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.240 -23.225 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.042 -20.040 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.103 -21.291 -4.196 1.00 0.00 H new ATOM 140 N VAL A 9 0.597 -21.124 -12.067 1.00 0.00 N ATOM 141 CA VAL A 9 -0.640 -21.829 -12.376 1.00 0.00 C ATOM 142 C VAL A 9 -1.446 -22.084 -11.084 1.00 0.00 C ATOM 143 O VAL A 9 -0.854 -22.361 -10.035 1.00 0.00 O ATOM 144 CB VAL A 9 -0.356 -23.115 -13.184 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.198 -22.766 -14.574 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.617 -24.081 -12.486 1.00 0.00 C ATOM 0 H VAL A 9 1.445 -21.615 -12.349 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.262 -21.204 -13.016 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.315 -23.626 -13.269 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.392 -23.684 -15.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.531 -22.162 -15.115 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.126 -22.204 -14.465 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.768 -24.960 -13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.572 -23.582 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.201 -24.386 -11.526 1.00 0.00 H new ATOM 156 N PRO A 10 -2.789 -22.014 -11.131 1.00 0.00 N ATOM 157 CA PRO A 10 -3.625 -22.030 -9.932 1.00 0.00 C ATOM 158 C PRO A 10 -3.695 -23.412 -9.272 1.00 0.00 C ATOM 159 O PRO A 10 -4.047 -23.522 -8.097 1.00 0.00 O ATOM 160 CB PRO A 10 -5.001 -21.557 -10.405 1.00 0.00 C ATOM 161 CG PRO A 10 -5.055 -22.009 -11.861 1.00 0.00 C ATOM 162 CD PRO A 10 -3.613 -21.803 -12.317 1.00 0.00 C ATOM 0 HA PRO A 10 -3.211 -21.385 -9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.803 -22.004 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.105 -20.476 -10.317 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.366 -23.050 -11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.756 -21.414 -12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.348 -22.505 -13.107 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.469 -20.801 -12.720 1.00 0.00 H new ATOM 170 N GLU A 11 -3.360 -24.480 -10.000 1.00 0.00 N ATOM 171 CA GLU A 11 -3.314 -25.835 -9.456 1.00 0.00 C ATOM 172 C GLU A 11 -2.281 -25.927 -8.329 1.00 0.00 C ATOM 173 O GLU A 11 -2.524 -26.605 -7.330 1.00 0.00 O ATOM 174 CB GLU A 11 -2.989 -26.843 -10.569 1.00 0.00 C ATOM 175 CG GLU A 11 -4.102 -26.921 -11.625 1.00 0.00 C ATOM 176 CD GLU A 11 -3.802 -27.999 -12.682 1.00 0.00 C ATOM 177 OE1 GLU A 11 -3.166 -27.689 -13.714 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.217 -29.168 -12.503 1.00 0.00 O ATOM 0 H GLU A 11 -3.112 -24.426 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.293 -26.077 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.053 -26.560 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.837 -27.829 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.052 -27.142 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.211 -25.952 -12.113 1.00 0.00 H new ATOM 185 N GLN A 12 -1.149 -25.222 -8.455 1.00 0.00 N ATOM 186 CA GLN A 12 -0.077 -25.279 -7.468 1.00 0.00 C ATOM 187 C GLN A 12 -0.394 -24.383 -6.265 1.00 0.00 C ATOM 188 O GLN A 12 -0.025 -24.727 -5.143 1.00 0.00 O ATOM 189 CB GLN A 12 1.256 -24.917 -8.134 1.00 0.00 C ATOM 190 CG GLN A 12 1.697 -25.975 -9.164 1.00 0.00 C ATOM 191 CD GLN A 12 3.029 -25.640 -9.846 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.912 -25.011 -9.270 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.209 -26.047 -11.092 1.00 0.00 N ATOM 0 H GLN A 12 -0.957 -24.601 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 12 0.009 -26.295 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.163 -23.949 -8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.026 -24.813 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.784 -26.941 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.923 -26.076 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.474 -26.570 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.083 -25.838 -11.576 1.00 0.00 H new ATOM 202 N TYR A 13 -1.137 -23.285 -6.459 1.00 0.00 N ATOM 203 CA TYR A 13 -1.647 -22.454 -5.365 1.00 0.00 C ATOM 204 C TYR A 13 -2.497 -23.280 -4.402 1.00 0.00 C ATOM 205 O TYR A 13 -2.387 -23.127 -3.185 1.00 0.00 O ATOM 206 CB TYR A 13 -2.429 -21.270 -5.951 1.00 0.00 C ATOM 207 CG TYR A 13 -3.071 -20.332 -4.943 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.351 -19.234 -4.434 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.420 -20.510 -4.576 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.980 -18.294 -3.598 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.050 -19.587 -3.722 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.336 -18.466 -3.238 1.00 0.00 C ATOM 213 OH TYR A 13 -4.973 -17.552 -2.455 1.00 0.00 O ATOM 0 H TYR A 13 -1.401 -22.948 -7.385 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.811 -22.062 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.754 -20.689 -6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.211 -21.663 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.308 -19.113 -4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.972 -21.359 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.427 -17.442 -3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.081 -19.734 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.428 -16.740 -2.391 1.00 0.00 H new ATOM 223 N GLN A 14 -3.294 -24.209 -4.933 1.00 0.00 N ATOM 224 CA GLN A 14 -4.116 -25.105 -4.127 1.00 0.00 C ATOM 225 C GLN A 14 -3.276 -26.134 -3.347 1.00 0.00 C ATOM 226 O GLN A 14 -3.827 -26.801 -2.471 1.00 0.00 O ATOM 227 CB GLN A 14 -5.159 -25.777 -5.037 1.00 0.00 C ATOM 228 CG GLN A 14 -6.197 -24.765 -5.552 1.00 0.00 C ATOM 229 CD GLN A 14 -6.980 -25.316 -6.741 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.956 -26.048 -6.589 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.566 -24.975 -7.951 1.00 0.00 N ATOM 0 H GLN A 14 -3.386 -24.359 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.631 -24.519 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.656 -26.246 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.665 -26.570 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.887 -24.511 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.693 -23.843 -5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.754 -24.367 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.059 -25.320 -8.775 1.00 0.00 H new ATOM 240 N GLN A 15 -1.968 -26.264 -3.619 1.00 0.00 N ATOM 241 CA GLN A 15 -1.082 -27.153 -2.870 1.00 0.00 C ATOM 242 C GLN A 15 -0.338 -26.369 -1.788 1.00 0.00 C ATOM 243 O GLN A 15 -0.294 -26.812 -0.642 1.00 0.00 O ATOM 244 CB GLN A 15 -0.086 -27.882 -3.793 1.00 0.00 C ATOM 245 CG GLN A 15 -0.682 -28.486 -5.075 1.00 0.00 C ATOM 246 CD GLN A 15 -1.991 -29.253 -4.879 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.073 -30.201 -4.102 1.00 0.00 O ATOM 248 NE2 GLN A 15 -3.037 -28.865 -5.594 1.00 0.00 N ATOM 0 H GLN A 15 -1.499 -25.752 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.701 -27.914 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.699 -27.181 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.390 -28.681 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.853 -27.683 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.053 -29.158 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.952 -28.076 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.927 -29.355 -5.504 1.00 0.00 H new ATOM 257 N GLU A 16 0.203 -25.196 -2.126 1.00 0.00 N ATOM 258 CA GLU A 16 0.886 -24.298 -1.197 1.00 0.00 C ATOM 259 C GLU A 16 0.839 -22.880 -1.767 1.00 0.00 C ATOM 260 O GLU A 16 1.008 -22.700 -2.976 1.00 0.00 O ATOM 261 CB GLU A 16 2.349 -24.747 -1.005 1.00 0.00 C ATOM 262 CG GLU A 16 3.083 -23.978 0.107 1.00 0.00 C ATOM 263 CD GLU A 16 4.556 -24.405 0.227 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.835 -25.571 0.590 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.444 -23.555 -0.012 1.00 0.00 O ATOM 0 H GLU A 16 0.176 -24.837 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 16 0.391 -24.322 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.367 -25.812 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.888 -24.616 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.031 -22.908 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.578 -24.146 1.058 1.00 0.00 H new ATOM 272 N HIS A 17 0.676 -21.869 -0.914 1.00 0.00 N ATOM 273 CA HIS A 17 0.788 -20.459 -1.272 1.00 0.00 C ATOM 274 C HIS A 17 1.230 -19.641 -0.058 1.00 0.00 C ATOM 275 O HIS A 17 1.075 -20.088 1.081 1.00 0.00 O ATOM 276 CB HIS A 17 -0.550 -19.961 -1.837 1.00 0.00 C ATOM 277 CG HIS A 17 -1.779 -20.199 -0.991 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.594 -21.306 -1.044 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.394 -19.292 -0.169 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.664 -21.078 -0.267 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.590 -19.857 0.295 1.00 0.00 N ATOM 0 H HIS A 17 0.456 -22.014 0.071 1.00 0.00 H new ATOM 0 HA HIS A 17 1.547 -20.336 -2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.464 -18.889 -2.018 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.707 -20.436 -2.805 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.416 -22.154 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.021 -18.309 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.473 -21.777 -0.114 1.00 0.00 H new ATOM 289 N VAL A 18 1.787 -18.448 -0.292 1.00 0.00 N ATOM 290 CA VAL A 18 2.086 -17.487 0.769 1.00 0.00 C ATOM 291 C VAL A 18 0.756 -17.083 1.412 1.00 0.00 C ATOM 292 O VAL A 18 -0.217 -16.803 0.706 1.00 0.00 O ATOM 293 CB VAL A 18 2.848 -16.258 0.216 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.242 -15.281 1.336 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.134 -16.666 -0.516 1.00 0.00 C ATOM 0 H VAL A 18 2.043 -18.123 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 18 2.740 -17.938 1.515 1.00 0.00 H new ATOM 0 HB VAL A 18 2.161 -15.774 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.775 -14.432 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.344 -14.928 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.887 -15.790 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.639 -15.775 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.793 -17.195 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.885 -17.319 -1.353 1.00 0.00 H new ATOM 305 N GLN A 19 0.719 -17.051 2.745 1.00 0.00 N ATOM 306 CA GLN A 19 -0.465 -16.707 3.518 1.00 0.00 C ATOM 307 C GLN A 19 -1.045 -15.366 3.043 1.00 0.00 C ATOM 308 O GLN A 19 -0.358 -14.342 3.063 1.00 0.00 O ATOM 309 CB GLN A 19 -0.083 -16.700 5.009 1.00 0.00 C ATOM 310 CG GLN A 19 -1.275 -16.459 5.946 1.00 0.00 C ATOM 311 CD GLN A 19 -0.851 -16.573 7.412 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.016 -17.612 8.047 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.283 -15.522 7.982 1.00 0.00 N ATOM 0 H GLN A 19 1.530 -17.269 3.325 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.253 -17.445 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.380 -17.654 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.666 -15.927 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.694 -15.470 5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.061 -17.183 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.149 -14.663 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.021 -15.571 8.954 1.00 0.00 H new ATOM 322 N GLY A 20 -2.315 -15.380 2.626 1.00 0.00 N ATOM 323 CA GLY A 20 -3.087 -14.186 2.295 1.00 0.00 C ATOM 324 C GLY A 20 -2.876 -13.663 0.869 1.00 0.00 C ATOM 325 O GLY A 20 -3.563 -12.715 0.480 1.00 0.00 O ATOM 0 H GLY A 20 -2.844 -16.244 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.146 -14.404 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.828 -13.396 3.000 1.00 0.00 H new ATOM 329 N ALA A 21 -1.956 -14.236 0.084 1.00 0.00 N ATOM 330 CA ALA A 21 -1.745 -13.824 -1.301 1.00 0.00 C ATOM 331 C ALA A 21 -2.920 -14.266 -2.182 1.00 0.00 C ATOM 332 O ALA A 21 -3.516 -15.320 -1.939 1.00 0.00 O ATOM 333 CB ALA A 21 -0.447 -14.438 -1.825 1.00 0.00 C ATOM 0 H ALA A 21 -1.344 -14.992 0.391 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.676 -12.737 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.290 -14.130 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.389 -14.098 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.513 -15.525 -1.776 1.00 0.00 H new ATOM 339 N ILE A 22 -3.221 -13.492 -3.228 1.00 0.00 N ATOM 340 CA ILE A 22 -4.141 -13.913 -4.288 1.00 0.00 C ATOM 341 C ILE A 22 -3.350 -14.809 -5.251 1.00 0.00 C ATOM 342 O ILE A 22 -2.118 -14.818 -5.228 1.00 0.00 O ATOM 343 CB ILE A 22 -4.754 -12.714 -5.084 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.603 -11.329 -4.409 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.233 -13.022 -5.396 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.331 -10.173 -5.111 1.00 0.00 C ATOM 0 H ILE A 22 -2.835 -12.558 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.979 -14.437 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.174 -12.626 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.971 -11.400 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.542 -11.086 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.668 -12.191 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.297 -13.931 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.780 -13.162 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.162 -9.248 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.949 -10.065 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.400 -10.384 -5.147 1.00 0.00 H new ATOM 358 N ASN A 23 -4.047 -15.495 -6.158 1.00 0.00 N ATOM 359 CA ASN A 23 -3.442 -16.118 -7.328 1.00 0.00 C ATOM 360 C ASN A 23 -4.245 -15.640 -8.517 1.00 0.00 C ATOM 361 O ASN A 23 -5.476 -15.724 -8.516 1.00 0.00 O ATOM 362 CB ASN A 23 -3.395 -17.649 -7.270 1.00 0.00 C ATOM 363 CG ASN A 23 -2.921 -18.253 -8.596 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.657 -18.274 -9.575 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.703 -18.759 -8.679 1.00 0.00 N ATOM 0 H ASN A 23 -5.056 -15.633 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.394 -15.826 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.727 -17.962 -6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.385 -18.034 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.378 -19.165 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.088 -18.743 -7.866 1.00 0.00 H new ATOM 372 N ILE A 24 -3.532 -15.123 -9.507 1.00 0.00 N ATOM 373 CA ILE A 24 -4.075 -14.760 -10.798 1.00 0.00 C ATOM 374 C ILE A 24 -2.959 -15.185 -11.755 1.00 0.00 C ATOM 375 O ILE A 24 -1.898 -14.558 -11.724 1.00 0.00 O ATOM 376 CB ILE A 24 -4.401 -13.248 -10.891 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.213 -12.691 -9.698 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.114 -13.017 -12.224 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.452 -11.176 -9.725 1.00 0.00 C ATOM 0 H ILE A 24 -2.532 -14.941 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.030 -15.237 -11.019 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.465 -12.691 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.179 -13.195 -9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.693 -12.945 -8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.361 -11.960 -12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.461 -13.318 -13.043 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.030 -13.608 -12.254 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.029 -10.883 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.494 -10.656 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.003 -10.911 -10.627 1.00 0.00 H new ATOM 391 N PRO A 25 -3.128 -16.259 -12.544 1.00 0.00 N ATOM 392 CA PRO A 25 -2.033 -16.802 -13.332 1.00 0.00 C ATOM 393 C PRO A 25 -1.586 -15.759 -14.359 1.00 0.00 C ATOM 394 O PRO A 25 -2.388 -14.921 -14.779 1.00 0.00 O ATOM 395 CB PRO A 25 -2.575 -18.096 -13.945 1.00 0.00 C ATOM 396 CG PRO A 25 -4.082 -17.856 -14.026 1.00 0.00 C ATOM 397 CD PRO A 25 -4.360 -16.990 -12.797 1.00 0.00 C ATOM 0 HA PRO A 25 -1.140 -17.032 -12.751 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.146 -18.283 -14.929 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.340 -18.961 -13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.360 -17.348 -14.949 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.642 -18.791 -13.996 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.190 -16.307 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.634 -17.604 -11.939 1.00 0.00 H new ATOM 405 N LEU A 26 -0.317 -15.804 -14.774 1.00 0.00 N ATOM 406 CA LEU A 26 0.314 -14.747 -15.573 1.00 0.00 C ATOM 407 C LEU A 26 -0.501 -14.356 -16.817 1.00 0.00 C ATOM 408 O LEU A 26 -0.632 -13.171 -17.125 1.00 0.00 O ATOM 409 CB LEU A 26 1.745 -15.191 -15.936 1.00 0.00 C ATOM 410 CG LEU A 26 2.596 -14.152 -16.698 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.622 -12.785 -16.006 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.036 -14.672 -16.814 1.00 0.00 C ATOM 0 H LEU A 26 0.308 -16.582 -14.563 1.00 0.00 H new ATOM 0 HA LEU A 26 0.352 -13.839 -14.971 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.267 -15.457 -15.017 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.682 -16.096 -16.541 1.00 0.00 H new ATOM 0 HG LEU A 26 2.140 -14.017 -17.679 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.235 -12.095 -16.586 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.607 -12.395 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.043 -12.891 -15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.644 -13.944 -17.351 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.449 -14.825 -15.817 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.039 -15.617 -17.356 1.00 0.00 H new ATOM 424 N LYS A 27 -1.099 -15.337 -17.502 1.00 0.00 N ATOM 425 CA LYS A 27 -1.939 -15.100 -18.676 1.00 0.00 C ATOM 426 C LYS A 27 -3.159 -14.224 -18.369 1.00 0.00 C ATOM 427 O LYS A 27 -3.590 -13.469 -19.239 1.00 0.00 O ATOM 428 CB LYS A 27 -2.345 -16.436 -19.325 1.00 0.00 C ATOM 429 CG LYS A 27 -3.225 -17.338 -18.438 1.00 0.00 C ATOM 430 CD LYS A 27 -3.540 -18.664 -19.144 1.00 0.00 C ATOM 431 CE LYS A 27 -4.429 -19.543 -18.253 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.775 -20.831 -18.903 1.00 0.00 N ATOM 0 H LYS A 27 -1.012 -16.323 -17.254 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.341 -14.536 -19.392 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.880 -16.227 -20.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.442 -16.983 -19.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.715 -17.536 -17.495 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.154 -16.821 -18.196 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.042 -18.469 -20.092 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.614 -19.189 -19.376 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.916 -19.739 -17.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.344 -19.003 -18.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.376 -21.391 -18.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.288 -20.646 -19.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.904 -21.360 -19.111 1.00 0.00 H new ATOM 446 N GLU A 28 -3.717 -14.312 -17.159 1.00 0.00 N ATOM 447 CA GLU A 28 -4.845 -13.497 -16.729 1.00 0.00 C ATOM 448 C GLU A 28 -4.359 -12.178 -16.150 1.00 0.00 C ATOM 449 O GLU A 28 -4.932 -11.137 -16.458 1.00 0.00 O ATOM 450 CB GLU A 28 -5.680 -14.233 -15.662 1.00 0.00 C ATOM 451 CG GLU A 28 -7.042 -14.665 -16.211 1.00 0.00 C ATOM 452 CD GLU A 28 -7.884 -15.377 -15.138 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.241 -14.735 -14.124 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.216 -16.572 -15.317 1.00 0.00 O ATOM 0 H GLU A 28 -3.390 -14.962 -16.444 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.467 -13.307 -17.604 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.134 -15.109 -15.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.825 -13.582 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.581 -13.791 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.898 -15.330 -17.062 1.00 0.00 H new ATOM 461 N VAL A 29 -3.319 -12.204 -15.312 1.00 0.00 N ATOM 462 CA VAL A 29 -2.916 -11.050 -14.505 1.00 0.00 C ATOM 463 C VAL A 29 -2.620 -9.835 -15.378 1.00 0.00 C ATOM 464 O VAL A 29 -2.967 -8.717 -15.014 1.00 0.00 O ATOM 465 CB VAL A 29 -1.751 -11.439 -13.568 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.344 -11.227 -14.142 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.842 -10.700 -12.226 1.00 0.00 C ATOM 0 H VAL A 29 -2.732 -13.027 -15.174 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.747 -10.750 -13.867 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.879 -12.514 -13.437 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.399 -11.531 -13.405 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.225 -11.826 -15.045 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.205 -10.173 -14.384 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.008 -10.996 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.802 -9.625 -12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.781 -10.954 -11.734 1.00 0.00 H new ATOM 477 N LYS A 30 -2.056 -10.065 -16.563 1.00 0.00 N ATOM 478 CA LYS A 30 -1.709 -9.018 -17.518 1.00 0.00 C ATOM 479 C LYS A 30 -2.916 -8.194 -17.991 1.00 0.00 C ATOM 480 O LYS A 30 -2.730 -7.110 -18.539 1.00 0.00 O ATOM 481 CB LYS A 30 -0.939 -9.679 -18.677 1.00 0.00 C ATOM 482 CG LYS A 30 -0.123 -8.678 -19.505 1.00 0.00 C ATOM 483 CD LYS A 30 0.654 -9.388 -20.622 1.00 0.00 C ATOM 484 CE LYS A 30 1.391 -8.360 -21.493 1.00 0.00 C ATOM 485 NZ LYS A 30 2.121 -8.995 -22.619 1.00 0.00 N ATOM 0 H LYS A 30 -1.824 -11.003 -16.891 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.075 -8.280 -17.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.270 -10.439 -18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.646 -10.191 -19.330 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.789 -7.932 -19.939 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.572 -8.146 -18.856 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.369 -10.088 -20.189 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.031 -9.972 -21.237 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.673 -7.641 -21.888 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.095 -7.802 -20.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.602 -8.262 -23.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.825 -9.662 -22.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.448 -9.506 -23.225 1.00 0.00 H new ATOM 499 N GLU A 31 -4.145 -8.652 -17.750 1.00 0.00 N ATOM 500 CA GLU A 31 -5.351 -7.854 -17.946 1.00 0.00 C ATOM 501 C GLU A 31 -6.055 -7.655 -16.604 1.00 0.00 C ATOM 502 O GLU A 31 -6.442 -6.541 -16.258 1.00 0.00 O ATOM 503 CB GLU A 31 -6.272 -8.536 -18.971 1.00 0.00 C ATOM 504 CG GLU A 31 -5.670 -8.543 -20.384 1.00 0.00 C ATOM 505 CD GLU A 31 -6.653 -9.133 -21.412 1.00 0.00 C ATOM 506 OE1 GLU A 31 -7.454 -8.372 -22.002 1.00 0.00 O ATOM 507 OE2 GLU A 31 -6.624 -10.360 -21.660 1.00 0.00 O ATOM 0 H GLU A 31 -4.331 -9.596 -17.410 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.085 -6.873 -18.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.465 -9.561 -18.656 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.233 -8.022 -18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.406 -7.526 -20.673 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.748 -9.124 -20.385 1.00 0.00 H new ATOM 514 N ARG A 32 -6.187 -8.722 -15.815 1.00 0.00 N ATOM 515 CA ARG A 32 -6.982 -8.742 -14.593 1.00 0.00 C ATOM 516 C ARG A 32 -6.403 -7.855 -13.494 1.00 0.00 C ATOM 517 O ARG A 32 -7.173 -7.355 -12.673 1.00 0.00 O ATOM 518 CB ARG A 32 -7.173 -10.201 -14.148 1.00 0.00 C ATOM 519 CG ARG A 32 -8.103 -10.329 -12.933 1.00 0.00 C ATOM 520 CD ARG A 32 -8.549 -11.784 -12.746 1.00 0.00 C ATOM 521 NE ARG A 32 -9.021 -12.038 -11.374 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.086 -13.240 -10.783 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.790 -14.352 -11.450 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.452 -13.321 -9.507 1.00 0.00 N ATOM 0 H ARG A 32 -5.734 -9.614 -16.014 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.960 -8.309 -14.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.582 -10.779 -14.977 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.202 -10.633 -13.905 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.589 -9.982 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.976 -9.690 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.346 -12.014 -13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.718 -12.451 -12.974 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.324 -11.232 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.508 -14.300 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.845 -15.257 -10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.680 -12.474 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.505 -14.231 -9.048 1.00 0.00 H new ATOM 538 N ILE A 33 -5.090 -7.597 -13.475 1.00 0.00 N ATOM 539 CA ILE A 33 -4.501 -6.682 -12.495 1.00 0.00 C ATOM 540 C ILE A 33 -5.169 -5.311 -12.599 1.00 0.00 C ATOM 541 O ILE A 33 -5.401 -4.680 -11.575 1.00 0.00 O ATOM 542 CB ILE A 33 -2.961 -6.593 -12.620 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.297 -5.982 -11.360 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.530 -5.813 -13.872 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.243 -6.973 -10.192 1.00 0.00 C ATOM 0 H ILE A 33 -4.419 -8.008 -14.125 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.691 -7.083 -11.499 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.612 -7.621 -12.716 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.286 -5.658 -11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.851 -5.094 -11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.442 -5.775 -13.920 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.915 -6.311 -14.762 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.927 -4.799 -13.823 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.769 -6.498 -9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.255 -7.277 -9.926 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.666 -7.850 -10.485 1.00 0.00 H new ATOM 557 N ALA A 34 -5.570 -4.887 -13.804 1.00 0.00 N ATOM 558 CA ALA A 34 -6.240 -3.604 -13.994 1.00 0.00 C ATOM 559 C ALA A 34 -7.581 -3.487 -13.251 1.00 0.00 C ATOM 560 O ALA A 34 -8.075 -2.372 -13.083 1.00 0.00 O ATOM 561 CB ALA A 34 -6.431 -3.339 -15.490 1.00 0.00 C ATOM 0 H ALA A 34 -5.439 -5.420 -14.663 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.592 -2.845 -13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.931 -2.381 -15.629 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.459 -3.315 -15.982 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.039 -4.132 -15.925 1.00 0.00 H new ATOM 567 N THR A 35 -8.160 -4.602 -12.795 1.00 0.00 N ATOM 568 CA THR A 35 -9.396 -4.625 -12.016 1.00 0.00 C ATOM 569 C THR A 35 -9.099 -5.017 -10.559 1.00 0.00 C ATOM 570 O THR A 35 -9.771 -4.536 -9.645 1.00 0.00 O ATOM 571 CB THR A 35 -10.393 -5.583 -12.701 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.508 -5.279 -14.082 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.801 -5.511 -12.102 1.00 0.00 C ATOM 0 H THR A 35 -7.773 -5.531 -12.962 1.00 0.00 H new ATOM 0 HA THR A 35 -9.849 -3.634 -11.982 1.00 0.00 H new ATOM 0 HB THR A 35 -9.991 -6.584 -12.544 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.143 -5.897 -14.501 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.455 -6.208 -12.626 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.761 -5.776 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.190 -4.498 -12.208 1.00 0.00 H new ATOM 581 N ALA A 36 -8.076 -5.847 -10.323 1.00 0.00 N ATOM 582 CA ALA A 36 -7.702 -6.294 -8.982 1.00 0.00 C ATOM 583 C ALA A 36 -6.946 -5.202 -8.211 1.00 0.00 C ATOM 584 O ALA A 36 -7.086 -5.089 -6.993 1.00 0.00 O ATOM 585 CB ALA A 36 -6.844 -7.561 -9.087 1.00 0.00 C ATOM 0 H ALA A 36 -7.484 -6.227 -11.062 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.615 -6.513 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.565 -7.895 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.413 -8.345 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.944 -7.344 -9.662 1.00 0.00 H new ATOM 591 N VAL A 37 -6.150 -4.407 -8.926 1.00 0.00 N ATOM 592 CA VAL A 37 -5.246 -3.384 -8.423 1.00 0.00 C ATOM 593 C VAL A 37 -5.276 -2.239 -9.452 1.00 0.00 C ATOM 594 O VAL A 37 -4.347 -2.094 -10.248 1.00 0.00 O ATOM 595 CB VAL A 37 -3.821 -3.963 -8.217 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.926 -2.956 -7.490 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.781 -5.298 -7.457 1.00 0.00 C ATOM 0 H VAL A 37 -6.121 -4.469 -9.944 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.554 -3.015 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.451 -4.158 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.932 -3.383 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.852 -2.042 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.356 -2.725 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.747 -5.630 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.216 -5.166 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.351 -6.047 -8.007 1.00 0.00 H new ATOM 607 N PRO A 38 -6.361 -1.449 -9.528 1.00 0.00 N ATOM 608 CA PRO A 38 -6.435 -0.350 -10.483 1.00 0.00 C ATOM 609 C PRO A 38 -5.380 0.724 -10.174 1.00 0.00 C ATOM 610 O PRO A 38 -4.799 1.296 -11.101 1.00 0.00 O ATOM 611 CB PRO A 38 -7.869 0.182 -10.385 1.00 0.00 C ATOM 612 CG PRO A 38 -8.332 -0.237 -8.989 1.00 0.00 C ATOM 613 CD PRO A 38 -7.577 -1.541 -8.737 1.00 0.00 C ATOM 0 HA PRO A 38 -6.216 -0.673 -11.501 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.901 1.265 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.506 -0.245 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.088 0.518 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.411 -0.385 -8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.347 -1.663 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.174 -2.403 -9.035 1.00 0.00 H new ATOM 621 N ASP A 39 -5.110 0.979 -8.888 1.00 0.00 N ATOM 622 CA ASP A 39 -4.129 1.966 -8.443 1.00 0.00 C ATOM 623 C ASP A 39 -2.716 1.462 -8.749 1.00 0.00 C ATOM 624 O ASP A 39 -2.293 0.418 -8.249 1.00 0.00 O ATOM 625 CB ASP A 39 -4.299 2.252 -6.946 1.00 0.00 C ATOM 626 CG ASP A 39 -3.403 3.417 -6.496 1.00 0.00 C ATOM 627 OD1 ASP A 39 -2.167 3.344 -6.672 1.00 0.00 O ATOM 628 OD2 ASP A 39 -3.939 4.415 -5.963 1.00 0.00 O ATOM 0 H ASP A 39 -5.576 0.497 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.289 2.900 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.342 2.489 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.053 1.358 -6.372 1.00 0.00 H new ATOM 633 N LYS A 40 -1.985 2.196 -9.590 1.00 0.00 N ATOM 634 CA LYS A 40 -0.687 1.763 -10.110 1.00 0.00 C ATOM 635 C LYS A 40 0.422 1.764 -9.052 1.00 0.00 C ATOM 636 O LYS A 40 1.466 1.161 -9.307 1.00 0.00 O ATOM 637 CB LYS A 40 -0.303 2.648 -11.312 1.00 0.00 C ATOM 638 CG LYS A 40 -1.267 2.488 -12.503 1.00 0.00 C ATOM 639 CD LYS A 40 -1.102 1.154 -13.251 1.00 0.00 C ATOM 640 CE LYS A 40 -2.290 0.879 -14.187 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.483 0.353 -13.471 1.00 0.00 N ATOM 0 H LYS A 40 -2.278 3.112 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.789 0.725 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.289 3.692 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.708 2.398 -11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.293 2.569 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.108 3.309 -13.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.179 1.173 -13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.010 0.341 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.560 1.800 -14.703 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.986 0.163 -14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.299 0.346 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.292 -0.616 -13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.692 0.960 -12.653 1.00 0.00 H new ATOM 655 N ASN A 41 0.228 2.424 -7.902 1.00 0.00 N ATOM 656 CA ASN A 41 1.279 2.638 -6.905 1.00 0.00 C ATOM 657 C ASN A 41 1.228 1.620 -5.766 1.00 0.00 C ATOM 658 O ASN A 41 2.146 1.593 -4.948 1.00 0.00 O ATOM 659 CB ASN A 41 1.282 4.095 -6.387 1.00 0.00 C ATOM 660 CG ASN A 41 0.837 4.261 -4.931 1.00 0.00 C ATOM 661 OD1 ASN A 41 1.631 4.602 -4.058 1.00 0.00 O ATOM 662 ND2 ASN A 41 -0.434 4.052 -4.638 1.00 0.00 N ATOM 0 H ASN A 41 -0.671 2.827 -7.638 1.00 0.00 H new ATOM 0 HA ASN A 41 2.230 2.473 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.288 4.501 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.628 4.693 -7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.763 4.174 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.086 3.769 -5.369 1.00 0.00 H new ATOM 669 N ASP A 42 0.189 0.784 -5.684 1.00 0.00 N ATOM 670 CA ASP A 42 0.216 -0.351 -4.765 1.00 0.00 C ATOM 671 C ASP A 42 1.279 -1.317 -5.275 1.00 0.00 C ATOM 672 O ASP A 42 1.221 -1.734 -6.431 1.00 0.00 O ATOM 673 CB ASP A 42 -1.144 -1.051 -4.651 1.00 0.00 C ATOM 674 CG ASP A 42 -1.967 -0.491 -3.480 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.559 -0.700 -2.316 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.996 0.181 -3.717 1.00 0.00 O ATOM 0 H ASP A 42 -0.666 0.871 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 42 0.451 0.002 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.699 -0.925 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.993 -2.122 -4.513 1.00 0.00 H new ATOM 681 N THR A 43 2.252 -1.648 -4.426 1.00 0.00 N ATOM 682 CA THR A 43 3.353 -2.542 -4.748 1.00 0.00 C ATOM 683 C THR A 43 2.789 -3.917 -5.090 1.00 0.00 C ATOM 684 O THR A 43 2.378 -4.652 -4.190 1.00 0.00 O ATOM 685 CB THR A 43 4.353 -2.601 -3.575 1.00 0.00 C ATOM 686 OG1 THR A 43 4.771 -1.304 -3.200 1.00 0.00 O ATOM 687 CG2 THR A 43 5.573 -3.457 -3.917 1.00 0.00 C ATOM 0 H THR A 43 2.293 -1.290 -3.472 1.00 0.00 H new ATOM 0 HA THR A 43 3.900 -2.170 -5.614 1.00 0.00 H new ATOM 0 HB THR A 43 3.833 -3.063 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.099 -0.901 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.255 -3.475 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.252 -4.473 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.083 -3.034 -4.782 1.00 0.00 H new ATOM 695 N VAL A 44 2.765 -4.277 -6.371 1.00 0.00 N ATOM 696 CA VAL A 44 2.382 -5.619 -6.771 1.00 0.00 C ATOM 697 C VAL A 44 3.591 -6.518 -6.507 1.00 0.00 C ATOM 698 O VAL A 44 4.526 -6.555 -7.312 1.00 0.00 O ATOM 699 CB VAL A 44 1.893 -5.669 -8.238 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.150 -6.993 -8.472 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.931 -4.522 -8.588 1.00 0.00 C ATOM 0 H VAL A 44 3.006 -3.657 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 44 1.528 -5.971 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 44 2.776 -5.576 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.801 -7.037 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.825 -7.828 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.296 -7.055 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.623 -4.611 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.053 -4.574 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.434 -3.567 -8.439 1.00 0.00 H new ATOM 711 N LYS A 45 3.631 -7.190 -5.352 1.00 0.00 N ATOM 712 CA LYS A 45 4.592 -8.266 -5.157 1.00 0.00 C ATOM 713 C LYS A 45 4.134 -9.387 -6.079 1.00 0.00 C ATOM 714 O LYS A 45 2.944 -9.724 -6.083 1.00 0.00 O ATOM 715 CB LYS A 45 4.626 -8.779 -3.710 1.00 0.00 C ATOM 716 CG LYS A 45 5.089 -7.749 -2.671 1.00 0.00 C ATOM 717 CD LYS A 45 6.505 -8.037 -2.150 1.00 0.00 C ATOM 718 CE LYS A 45 6.755 -7.222 -0.875 1.00 0.00 C ATOM 719 NZ LYS A 45 8.097 -7.465 -0.298 1.00 0.00 N ATOM 0 H LYS A 45 3.020 -7.009 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 45 5.599 -7.910 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.628 -9.124 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.287 -9.644 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.064 -6.754 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.391 -7.743 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.619 -9.101 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.243 -7.780 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.647 -6.161 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.995 -7.470 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.149 -7.042 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.266 -8.489 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.821 -7.035 -0.909 1.00 0.00 H new ATOM 733 N VAL A 46 5.060 -9.995 -6.809 1.00 0.00 N ATOM 734 CA VAL A 46 4.762 -11.122 -7.681 1.00 0.00 C ATOM 735 C VAL A 46 5.686 -12.272 -7.309 1.00 0.00 C ATOM 736 O VAL A 46 6.878 -12.064 -7.061 1.00 0.00 O ATOM 737 CB VAL A 46 4.835 -10.717 -9.171 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.681 -9.773 -9.541 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.159 -10.049 -9.578 1.00 0.00 C ATOM 0 H VAL A 46 6.042 -9.719 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 46 3.735 -11.457 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 46 4.760 -11.657 -9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.755 -9.503 -10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.730 -10.273 -9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.738 -8.872 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.128 -9.796 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.303 -9.141 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.985 -10.736 -9.393 1.00 0.00 H new ATOM 749 N TYR A 47 5.136 -13.486 -7.274 1.00 0.00 N ATOM 750 CA TYR A 47 5.879 -14.719 -7.065 1.00 0.00 C ATOM 751 C TYR A 47 5.266 -15.813 -7.943 1.00 0.00 C ATOM 752 O TYR A 47 4.180 -15.627 -8.496 1.00 0.00 O ATOM 753 CB TYR A 47 5.926 -15.097 -5.575 1.00 0.00 C ATOM 754 CG TYR A 47 4.688 -15.754 -5.003 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.653 -14.958 -4.478 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.598 -17.157 -4.942 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.546 -15.563 -3.863 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.480 -17.768 -4.351 1.00 0.00 C ATOM 759 CZ TYR A 47 2.462 -16.973 -3.789 1.00 0.00 C ATOM 760 OH TYR A 47 1.402 -17.577 -3.183 1.00 0.00 O ATOM 0 H TYR A 47 4.135 -13.638 -7.394 1.00 0.00 H new ATOM 0 HA TYR A 47 6.919 -14.586 -7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.770 -15.769 -5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.128 -14.193 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.711 -13.882 -4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.391 -17.766 -5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.759 -14.952 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.401 -18.845 -4.327 1.00 0.00 H new ATOM 0 HH TYR A 47 1.382 -18.525 -3.429 1.00 0.00 H new ATOM 770 N CYS A 48 5.986 -16.918 -8.128 1.00 0.00 N ATOM 771 CA CYS A 48 5.572 -18.082 -8.898 1.00 0.00 C ATOM 772 C CYS A 48 6.217 -19.305 -8.241 1.00 0.00 C ATOM 773 O CYS A 48 6.553 -19.241 -7.060 1.00 0.00 O ATOM 774 CB CYS A 48 5.930 -17.896 -10.381 1.00 0.00 C ATOM 775 SG CYS A 48 7.726 -17.828 -10.619 1.00 0.00 S ATOM 0 H CYS A 48 6.917 -17.028 -7.725 1.00 0.00 H new ATOM 0 HA CYS A 48 4.491 -18.222 -8.890 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.514 -18.718 -10.964 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.476 -16.978 -10.755 1.00 0.00 H new ATOM 0 HG CYS A 48 8.070 -18.654 -11.562 1.00 0.00 H new ATOM 781 N ASN A 49 6.411 -20.421 -8.951 1.00 0.00 N ATOM 782 CA ASN A 49 7.001 -21.609 -8.330 1.00 0.00 C ATOM 783 C ASN A 49 8.498 -21.441 -8.046 1.00 0.00 C ATOM 784 O ASN A 49 8.943 -21.762 -6.944 1.00 0.00 O ATOM 785 CB ASN A 49 6.771 -22.848 -9.207 1.00 0.00 C ATOM 786 CG ASN A 49 7.228 -24.119 -8.491 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.950 -24.326 -7.313 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.937 -24.996 -9.180 1.00 0.00 N ATOM 0 H ASN A 49 6.173 -20.526 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 49 6.499 -21.744 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.714 -22.928 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.315 -22.740 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.259 -25.855 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.162 -24.814 -10.158 1.00 0.00 H new ATOM 795 N ALA A 50 9.267 -20.907 -9.008 1.00 0.00 N ATOM 796 CA ALA A 50 10.736 -20.925 -8.957 1.00 0.00 C ATOM 797 C ALA A 50 11.413 -19.585 -9.295 1.00 0.00 C ATOM 798 O ALA A 50 12.620 -19.459 -9.083 1.00 0.00 O ATOM 799 CB ALA A 50 11.241 -22.036 -9.887 1.00 0.00 C ATOM 0 H ALA A 50 8.889 -20.453 -9.839 1.00 0.00 H new ATOM 0 HA ALA A 50 11.013 -21.116 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.330 -22.064 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.845 -22.996 -9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.906 -21.838 -10.905 1.00 0.00 H new ATOM 805 N GLY A 51 10.672 -18.588 -9.792 1.00 0.00 N ATOM 806 CA GLY A 51 11.139 -17.207 -9.942 1.00 0.00 C ATOM 807 C GLY A 51 11.086 -16.681 -11.377 1.00 0.00 C ATOM 808 O GLY A 51 10.941 -15.477 -11.578 1.00 0.00 O ATOM 0 H GLY A 51 9.711 -18.723 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.534 -16.560 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.165 -17.141 -9.580 1.00 0.00 H new ATOM 812 N ARG A 52 11.196 -17.543 -12.398 1.00 0.00 N ATOM 813 CA ARG A 52 11.292 -17.068 -13.786 1.00 0.00 C ATOM 814 C ARG A 52 9.999 -16.397 -14.255 1.00 0.00 C ATOM 815 O ARG A 52 10.046 -15.319 -14.850 1.00 0.00 O ATOM 816 CB ARG A 52 11.772 -18.187 -14.733 1.00 0.00 C ATOM 817 CG ARG A 52 10.832 -19.398 -14.876 1.00 0.00 C ATOM 818 CD ARG A 52 11.467 -20.475 -15.765 1.00 0.00 C ATOM 819 NE ARG A 52 10.578 -21.643 -15.920 1.00 0.00 N ATOM 820 CZ ARG A 52 9.618 -21.798 -16.842 1.00 0.00 C ATOM 821 NH1 ARG A 52 9.373 -20.848 -17.742 1.00 0.00 N ATOM 822 NH2 ARG A 52 8.897 -22.915 -16.857 1.00 0.00 N ATOM 0 H ARG A 52 11.221 -18.557 -12.292 1.00 0.00 H new ATOM 0 HA ARG A 52 12.055 -16.291 -13.816 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.931 -17.756 -15.722 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.740 -18.543 -14.381 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.614 -19.814 -13.892 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.882 -19.079 -15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.690 -20.054 -16.745 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.415 -20.793 -15.332 1.00 0.00 H new ATOM 0 HE ARG A 52 10.707 -22.409 -15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.920 -19.987 -17.736 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.639 -20.981 -18.437 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.076 -23.647 -16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.165 -23.040 -17.556 1.00 0.00 H new ATOM 836 N GLN A 53 8.843 -16.999 -13.959 1.00 0.00 N ATOM 837 CA GLN A 53 7.550 -16.489 -14.405 1.00 0.00 C ATOM 838 C GLN A 53 7.225 -15.184 -13.674 1.00 0.00 C ATOM 839 O GLN A 53 6.718 -14.254 -14.296 1.00 0.00 O ATOM 840 CB GLN A 53 6.488 -17.581 -14.183 1.00 0.00 C ATOM 841 CG GLN A 53 5.089 -17.284 -14.735 1.00 0.00 C ATOM 842 CD GLN A 53 4.115 -18.446 -14.501 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.232 -19.201 -13.539 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.141 -18.636 -15.378 1.00 0.00 N ATOM 0 H GLN A 53 8.781 -17.852 -13.404 1.00 0.00 H new ATOM 0 HA GLN A 53 7.569 -16.252 -15.469 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.846 -18.505 -14.636 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.402 -17.764 -13.112 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.697 -16.383 -14.262 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.158 -17.079 -15.803 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.044 -18.009 -16.177 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.488 -19.409 -15.255 1.00 0.00 H new ATOM 853 N SER A 54 7.554 -15.070 -12.384 1.00 0.00 N ATOM 854 CA SER A 54 7.352 -13.837 -11.637 1.00 0.00 C ATOM 855 C SER A 54 8.361 -12.765 -12.048 1.00 0.00 C ATOM 856 O SER A 54 8.052 -11.578 -11.953 1.00 0.00 O ATOM 857 CB SER A 54 7.398 -14.128 -10.136 1.00 0.00 C ATOM 858 OG SER A 54 8.566 -14.856 -9.795 1.00 0.00 O ATOM 0 H SER A 54 7.964 -15.827 -11.837 1.00 0.00 H new ATOM 0 HA SER A 54 6.366 -13.437 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.374 -13.191 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.514 -14.695 -9.845 1.00 0.00 H new ATOM 0 HG SER A 54 8.416 -15.811 -9.958 1.00 0.00 H new ATOM 864 N GLY A 55 9.558 -13.146 -12.502 1.00 0.00 N ATOM 865 CA GLY A 55 10.549 -12.216 -13.024 1.00 0.00 C ATOM 866 C GLY A 55 10.018 -11.551 -14.286 1.00 0.00 C ATOM 867 O GLY A 55 10.006 -10.324 -14.388 1.00 0.00 O ATOM 0 H GLY A 55 9.864 -14.119 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.782 -11.460 -12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.477 -12.744 -13.243 1.00 0.00 H new ATOM 871 N GLN A 56 9.494 -12.355 -15.216 1.00 0.00 N ATOM 872 CA GLN A 56 8.808 -11.835 -16.390 1.00 0.00 C ATOM 873 C GLN A 56 7.595 -11.004 -15.973 1.00 0.00 C ATOM 874 O GLN A 56 7.432 -9.897 -16.481 1.00 0.00 O ATOM 875 CB GLN A 56 8.425 -12.987 -17.332 1.00 0.00 C ATOM 876 CG GLN A 56 9.644 -13.594 -18.049 1.00 0.00 C ATOM 877 CD GLN A 56 10.283 -12.612 -19.037 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.862 -12.502 -20.187 1.00 0.00 O ATOM 879 NE2 GLN A 56 11.295 -11.864 -18.621 1.00 0.00 N ATOM 0 H GLN A 56 9.535 -13.373 -15.173 1.00 0.00 H new ATOM 0 HA GLN A 56 9.479 -11.174 -16.938 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.919 -13.765 -16.761 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.715 -12.624 -18.075 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.385 -13.896 -17.309 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.339 -14.495 -18.581 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.641 -11.959 -17.666 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.728 -11.193 -19.256 1.00 0.00 H new ATOM 888 N ALA A 57 6.790 -11.474 -15.013 1.00 0.00 N ATOM 889 CA ALA A 57 5.640 -10.722 -14.525 1.00 0.00 C ATOM 890 C ALA A 57 6.046 -9.352 -13.987 1.00 0.00 C ATOM 891 O ALA A 57 5.347 -8.378 -14.260 1.00 0.00 O ATOM 892 CB ALA A 57 4.889 -11.505 -13.449 1.00 0.00 C ATOM 0 H ALA A 57 6.920 -12.378 -14.559 1.00 0.00 H new ATOM 0 HA ALA A 57 4.976 -10.568 -15.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.036 -10.921 -13.103 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.537 -12.449 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.557 -11.704 -12.611 1.00 0.00 H new ATOM 898 N LYS A 58 7.170 -9.249 -13.261 1.00 0.00 N ATOM 899 CA LYS A 58 7.626 -7.964 -12.747 1.00 0.00 C ATOM 900 C LYS A 58 7.799 -6.992 -13.915 1.00 0.00 C ATOM 901 O LYS A 58 7.311 -5.862 -13.861 1.00 0.00 O ATOM 902 CB LYS A 58 8.906 -8.074 -11.896 1.00 0.00 C ATOM 903 CG LYS A 58 9.566 -6.687 -11.746 1.00 0.00 C ATOM 904 CD LYS A 58 10.571 -6.582 -10.601 1.00 0.00 C ATOM 905 CE LYS A 58 11.357 -5.263 -10.688 1.00 0.00 C ATOM 906 NZ LYS A 58 12.360 -5.254 -11.786 1.00 0.00 N ATOM 0 H LYS A 58 7.771 -10.038 -13.022 1.00 0.00 H new ATOM 0 HA LYS A 58 6.865 -7.581 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.664 -8.478 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.604 -8.768 -12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.071 -6.436 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.785 -5.942 -11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.049 -6.638 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.261 -7.425 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.658 -4.439 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.864 -5.085 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.881 -4.354 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.026 -6.041 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.875 -5.360 -12.700 1.00 0.00 H new ATOM 920 N GLU A 59 8.509 -7.420 -14.956 1.00 0.00 N ATOM 921 CA GLU A 59 8.884 -6.537 -16.050 1.00 0.00 C ATOM 922 C GLU A 59 7.647 -6.193 -16.872 1.00 0.00 C ATOM 923 O GLU A 59 7.465 -5.036 -17.241 1.00 0.00 O ATOM 924 CB GLU A 59 9.980 -7.187 -16.909 1.00 0.00 C ATOM 925 CG GLU A 59 11.308 -7.371 -16.152 1.00 0.00 C ATOM 926 CD GLU A 59 11.919 -6.039 -15.679 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.524 -5.318 -16.506 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.818 -5.716 -14.473 1.00 0.00 O ATOM 0 H GLU A 59 8.837 -8.380 -15.062 1.00 0.00 H new ATOM 0 HA GLU A 59 9.294 -5.610 -15.651 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.631 -8.158 -17.260 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.154 -6.572 -17.792 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.142 -8.015 -15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.021 -7.882 -16.799 1.00 0.00 H new ATOM 935 N ILE A 60 6.762 -7.167 -17.087 1.00 0.00 N ATOM 936 CA ILE A 60 5.479 -6.988 -17.748 1.00 0.00 C ATOM 937 C ILE A 60 4.685 -5.890 -17.033 1.00 0.00 C ATOM 938 O ILE A 60 4.268 -4.927 -17.676 1.00 0.00 O ATOM 939 CB ILE A 60 4.770 -8.365 -17.809 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.403 -9.223 -18.930 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.253 -8.247 -18.004 1.00 0.00 C ATOM 942 CD1 ILE A 60 5.012 -10.707 -18.882 1.00 0.00 C ATOM 0 H ILE A 60 6.928 -8.130 -16.795 1.00 0.00 H new ATOM 0 HA ILE A 60 5.588 -6.644 -18.777 1.00 0.00 H new ATOM 0 HB ILE A 60 4.915 -8.852 -16.845 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.110 -8.812 -19.896 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.488 -9.142 -18.865 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.812 -9.243 -18.039 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.822 -7.688 -17.173 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.046 -7.725 -18.938 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.497 -11.238 -19.701 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.330 -11.137 -17.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.930 -10.802 -18.979 1.00 0.00 H new ATOM 954 N LEU A 61 4.503 -5.989 -15.712 1.00 0.00 N ATOM 955 CA LEU A 61 3.696 -5.022 -14.975 1.00 0.00 C ATOM 956 C LEU A 61 4.376 -3.653 -14.932 1.00 0.00 C ATOM 957 O LEU A 61 3.696 -2.626 -14.996 1.00 0.00 O ATOM 958 CB LEU A 61 3.408 -5.525 -13.554 1.00 0.00 C ATOM 959 CG LEU A 61 2.493 -6.763 -13.473 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.167 -7.041 -12.003 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.191 -6.610 -14.267 1.00 0.00 C ATOM 0 H LEU A 61 4.904 -6.729 -15.136 1.00 0.00 H new ATOM 0 HA LEU A 61 2.748 -4.911 -15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.356 -5.760 -13.069 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.951 -4.716 -12.984 1.00 0.00 H new ATOM 0 HG LEU A 61 3.034 -7.596 -13.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.520 -7.915 -11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.090 -7.228 -11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.659 -6.178 -11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.595 -7.517 -14.167 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.627 -5.761 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.424 -6.443 -15.319 1.00 0.00 H new ATOM 973 N SER A 62 5.707 -3.622 -14.854 1.00 0.00 N ATOM 974 CA SER A 62 6.463 -2.379 -14.878 1.00 0.00 C ATOM 975 C SER A 62 6.267 -1.669 -16.224 1.00 0.00 C ATOM 976 O SER A 62 5.984 -0.471 -16.247 1.00 0.00 O ATOM 977 CB SER A 62 7.944 -2.662 -14.596 1.00 0.00 C ATOM 978 OG SER A 62 8.105 -3.343 -13.362 1.00 0.00 O ATOM 0 H SER A 62 6.286 -4.458 -14.773 1.00 0.00 H new ATOM 0 HA SER A 62 6.096 -1.714 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.364 -3.261 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.499 -1.724 -14.573 1.00 0.00 H new ATOM 0 HG SER A 62 8.129 -4.309 -13.522 1.00 0.00 H new ATOM 984 N GLU A 63 6.340 -2.397 -17.345 1.00 0.00 N ATOM 985 CA GLU A 63 6.119 -1.852 -18.680 1.00 0.00 C ATOM 986 C GLU A 63 4.656 -1.430 -18.873 1.00 0.00 C ATOM 987 O GLU A 63 4.391 -0.445 -19.564 1.00 0.00 O ATOM 988 CB GLU A 63 6.532 -2.879 -19.749 1.00 0.00 C ATOM 989 CG GLU A 63 8.056 -3.040 -19.884 1.00 0.00 C ATOM 990 CD GLU A 63 8.726 -1.797 -20.499 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.730 -1.654 -21.743 1.00 0.00 O ATOM 992 OE2 GLU A 63 9.276 -0.958 -19.750 1.00 0.00 O ATOM 0 H GLU A 63 6.557 -3.394 -17.345 1.00 0.00 H new ATOM 0 HA GLU A 63 6.739 -0.962 -18.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.092 -3.846 -19.503 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.119 -2.577 -20.711 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.487 -3.233 -18.901 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.273 -3.910 -20.503 1.00 0.00 H new ATOM 999 N MET A 64 3.708 -2.126 -18.232 1.00 0.00 N ATOM 1000 CA MET A 64 2.298 -1.727 -18.202 1.00 0.00 C ATOM 1001 C MET A 64 2.079 -0.422 -17.420 1.00 0.00 C ATOM 1002 O MET A 64 1.014 0.186 -17.548 1.00 0.00 O ATOM 1003 CB MET A 64 1.431 -2.844 -17.606 1.00 0.00 C ATOM 1004 CG MET A 64 1.244 -4.017 -18.573 1.00 0.00 C ATOM 1005 SD MET A 64 0.598 -5.527 -17.805 1.00 0.00 S ATOM 1006 CE MET A 64 -0.930 -4.923 -17.039 1.00 0.00 C ATOM 0 H MET A 64 3.900 -2.986 -17.718 1.00 0.00 H new ATOM 0 HA MET A 64 1.998 -1.549 -19.235 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.890 -3.205 -16.686 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.455 -2.439 -17.338 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.566 -3.711 -19.369 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.203 -4.243 -19.040 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.485 -5.763 -16.622 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.685 -4.220 -16.243 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.540 -4.422 -17.790 1.00 0.00 H new ATOM 1016 N GLY A 65 3.059 0.027 -16.630 1.00 0.00 N ATOM 1017 CA GLY A 65 3.044 1.328 -15.977 1.00 0.00 C ATOM 1018 C GLY A 65 2.728 1.251 -14.487 1.00 0.00 C ATOM 1019 O GLY A 65 2.451 2.291 -13.891 1.00 0.00 O ATOM 0 H GLY A 65 3.897 -0.517 -16.426 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.015 1.806 -16.111 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.306 1.964 -16.466 1.00 0.00 H new ATOM 1023 N TYR A 66 2.735 0.062 -13.870 1.00 0.00 N ATOM 1024 CA TYR A 66 2.653 -0.037 -12.417 1.00 0.00 C ATOM 1025 C TYR A 66 3.929 0.575 -11.847 1.00 0.00 C ATOM 1026 O TYR A 66 5.036 0.134 -12.164 1.00 0.00 O ATOM 1027 CB TYR A 66 2.435 -1.485 -11.959 1.00 0.00 C ATOM 1028 CG TYR A 66 0.992 -1.928 -12.107 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.457 -2.205 -13.381 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.159 -1.970 -10.973 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.920 -2.446 -13.530 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.211 -2.244 -11.113 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.762 -2.438 -12.397 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.110 -2.527 -12.561 1.00 0.00 O ATOM 0 H TYR A 66 2.796 -0.834 -14.354 1.00 0.00 H new ATOM 0 HA TYR A 66 1.788 0.510 -12.043 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.077 -2.147 -12.540 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.737 -1.583 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.106 -2.232 -14.244 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.575 -1.791 -9.992 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.333 -2.637 -14.510 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.842 -2.306 -10.239 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.533 -2.717 -11.698 1.00 0.00 H new ATOM 1044 N THR A 67 3.773 1.630 -11.052 1.00 0.00 N ATOM 1045 CA THR A 67 4.871 2.448 -10.564 1.00 0.00 C ATOM 1046 C THR A 67 5.579 1.771 -9.385 1.00 0.00 C ATOM 1047 O THR A 67 6.716 2.128 -9.070 1.00 0.00 O ATOM 1048 CB THR A 67 4.320 3.843 -10.216 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.196 3.733 -9.364 1.00 0.00 O ATOM 1050 CG2 THR A 67 3.852 4.572 -11.480 1.00 0.00 C ATOM 0 H THR A 67 2.859 1.944 -10.724 1.00 0.00 H new ATOM 0 HA THR A 67 5.633 2.563 -11.335 1.00 0.00 H new ATOM 0 HB THR A 67 5.125 4.394 -9.729 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.858 4.628 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.466 5.555 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.691 4.686 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.065 3.993 -11.963 1.00 0.00 H new ATOM 1058 N HIS A 68 4.946 0.763 -8.771 1.00 0.00 N ATOM 1059 CA HIS A 68 5.532 -0.070 -7.737 1.00 0.00 C ATOM 1060 C HIS A 68 5.202 -1.525 -8.068 1.00 0.00 C ATOM 1061 O HIS A 68 4.039 -1.931 -8.088 1.00 0.00 O ATOM 1062 CB HIS A 68 4.994 0.320 -6.354 1.00 0.00 C ATOM 1063 CG HIS A 68 5.451 1.665 -5.839 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.319 1.876 -4.790 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.056 2.900 -6.283 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.450 3.202 -4.615 1.00 0.00 C ATOM 1067 NE2 HIS A 68 5.699 3.874 -5.508 1.00 0.00 N ATOM 0 H HIS A 68 3.985 0.505 -8.993 1.00 0.00 H new ATOM 0 HA HIS A 68 6.613 0.068 -7.706 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.905 0.315 -6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.292 -0.445 -5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.367 3.090 -7.092 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.071 3.664 -3.862 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.615 4.886 -5.601 1.00 0.00 H new ATOM 1075 N VAL A 69 6.240 -2.316 -8.312 1.00 0.00 N ATOM 1076 CA VAL A 69 6.190 -3.753 -8.545 1.00 0.00 C ATOM 1077 C VAL A 69 7.434 -4.293 -7.842 1.00 0.00 C ATOM 1078 O VAL A 69 8.459 -3.604 -7.802 1.00 0.00 O ATOM 1079 CB VAL A 69 6.219 -4.054 -10.063 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.174 -5.562 -10.343 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.056 -3.400 -10.821 1.00 0.00 C ATOM 0 H VAL A 69 7.191 -1.951 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 69 5.278 -4.214 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 69 7.159 -3.632 -10.418 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.196 -5.733 -11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.036 -6.044 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.258 -5.982 -9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.128 -3.646 -11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.110 -3.771 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.102 -2.318 -10.695 1.00 0.00 H new ATOM 1091 N GLU A 70 7.371 -5.504 -7.291 1.00 0.00 N ATOM 1092 CA GLU A 70 8.516 -6.105 -6.631 1.00 0.00 C ATOM 1093 C GLU A 70 8.502 -7.604 -6.911 1.00 0.00 C ATOM 1094 O GLU A 70 7.485 -8.273 -6.721 1.00 0.00 O ATOM 1095 CB GLU A 70 8.476 -5.760 -5.133 1.00 0.00 C ATOM 1096 CG GLU A 70 9.827 -6.063 -4.480 1.00 0.00 C ATOM 1097 CD GLU A 70 9.906 -5.579 -3.025 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.046 -4.358 -2.785 1.00 0.00 O ATOM 1099 OE2 GLU A 70 9.867 -6.429 -2.109 1.00 0.00 O ATOM 0 H GLU A 70 6.533 -6.086 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 70 9.457 -5.711 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.230 -4.706 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.690 -6.334 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.008 -7.137 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.620 -5.590 -5.059 1.00 0.00 H new ATOM 1106 N ASN A 71 9.620 -8.140 -7.404 1.00 0.00 N ATOM 1107 CA ASN A 71 9.741 -9.572 -7.623 1.00 0.00 C ATOM 1108 C ASN A 71 10.102 -10.215 -6.292 1.00 0.00 C ATOM 1109 O ASN A 71 11.209 -10.001 -5.790 1.00 0.00 O ATOM 1110 CB ASN A 71 10.803 -9.897 -8.679 1.00 0.00 C ATOM 1111 CG ASN A 71 10.819 -11.402 -8.875 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.694 -12.110 -8.390 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.799 -11.915 -9.538 1.00 0.00 N ATOM 0 H ASN A 71 10.449 -7.602 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 71 8.795 -9.963 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.575 -9.392 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.782 -9.544 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.725 -12.925 -9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.085 -11.301 -9.931 1.00 0.00 H new ATOM 1120 N ALA A 72 9.170 -10.961 -5.699 1.00 0.00 N ATOM 1121 CA ALA A 72 9.412 -11.595 -4.413 1.00 0.00 C ATOM 1122 C ALA A 72 10.304 -12.830 -4.563 1.00 0.00 C ATOM 1123 O ALA A 72 11.135 -13.083 -3.689 1.00 0.00 O ATOM 1124 CB ALA A 72 8.084 -11.956 -3.750 1.00 0.00 C ATOM 0 H ALA A 72 8.245 -11.138 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 72 9.940 -10.887 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.275 -12.430 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.495 -11.051 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.533 -12.644 -4.391 1.00 0.00 H new ATOM 1130 N GLY A 73 10.153 -13.585 -5.657 1.00 0.00 N ATOM 1131 CA GLY A 73 10.958 -14.764 -5.947 1.00 0.00 C ATOM 1132 C GLY A 73 10.071 -15.890 -6.453 1.00 0.00 C ATOM 1133 O GLY A 73 9.076 -15.646 -7.145 1.00 0.00 O ATOM 0 H GLY A 73 9.455 -13.386 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.714 -14.523 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.487 -15.083 -5.049 1.00 0.00 H new ATOM 1137 N GLY A 74 10.422 -17.120 -6.080 1.00 0.00 N ATOM 1138 CA GLY A 74 9.602 -18.300 -6.285 1.00 0.00 C ATOM 1139 C GLY A 74 9.306 -18.936 -4.934 1.00 0.00 C ATOM 1140 O GLY A 74 10.101 -18.828 -3.998 1.00 0.00 O ATOM 0 H GLY A 74 11.308 -17.322 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.672 -18.031 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.118 -19.010 -6.931 1.00 0.00 H new ATOM 1144 N LEU A 75 8.158 -19.599 -4.820 1.00 0.00 N ATOM 1145 CA LEU A 75 7.613 -20.086 -3.561 1.00 0.00 C ATOM 1146 C LEU A 75 8.544 -21.076 -2.862 1.00 0.00 C ATOM 1147 O LEU A 75 8.554 -21.139 -1.633 1.00 0.00 O ATOM 1148 CB LEU A 75 6.244 -20.730 -3.827 1.00 0.00 C ATOM 1149 CG LEU A 75 5.476 -21.069 -2.537 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.186 -19.818 -1.702 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.154 -21.731 -2.911 1.00 0.00 C ATOM 0 H LEU A 75 7.568 -19.817 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 75 7.506 -19.236 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.642 -20.053 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.384 -21.641 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 75 6.095 -21.738 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.643 -20.100 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.125 -19.340 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.583 -19.122 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.601 -21.976 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.565 -21.047 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.350 -22.643 -3.474 1.00 0.00 H new ATOM 1163 N LYS A 76 9.333 -21.834 -3.631 1.00 0.00 N ATOM 1164 CA LYS A 76 10.302 -22.772 -3.072 1.00 0.00 C ATOM 1165 C LYS A 76 11.434 -22.068 -2.317 1.00 0.00 C ATOM 1166 O LYS A 76 12.032 -22.677 -1.430 1.00 0.00 O ATOM 1167 CB LYS A 76 10.834 -23.697 -4.184 1.00 0.00 C ATOM 1168 CG LYS A 76 11.721 -22.981 -5.223 1.00 0.00 C ATOM 1169 CD LYS A 76 11.988 -23.835 -6.474 1.00 0.00 C ATOM 1170 CE LYS A 76 12.693 -25.176 -6.201 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.089 -25.016 -5.718 1.00 0.00 N ATOM 0 H LYS A 76 9.316 -21.812 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 76 9.791 -23.383 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.406 -24.505 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.988 -24.155 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.241 -22.049 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.672 -22.716 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.038 -24.034 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.596 -23.256 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.121 -25.736 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.698 -25.769 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.509 -25.953 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.648 -24.508 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.089 -24.475 -4.830 1.00 0.00 H new ATOM 1185 N ASP A 77 11.739 -20.812 -2.656 1.00 0.00 N ATOM 1186 CA ASP A 77 12.776 -20.021 -1.993 1.00 0.00 C ATOM 1187 C ASP A 77 12.173 -19.137 -0.900 1.00 0.00 C ATOM 1188 O ASP A 77 12.811 -18.907 0.128 1.00 0.00 O ATOM 1189 CB ASP A 77 13.500 -19.146 -3.023 1.00 0.00 C ATOM 1190 CG ASP A 77 14.569 -18.268 -2.350 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.627 -18.801 -1.947 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.375 -17.036 -2.254 1.00 0.00 O ATOM 0 H ASP A 77 11.266 -20.311 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 77 13.487 -20.706 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.967 -19.778 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.778 -18.514 -3.539 1.00 0.00 H new ATOM 1197 N ILE A 78 10.938 -18.664 -1.100 1.00 0.00 N ATOM 1198 CA ILE A 78 10.208 -17.854 -0.128 1.00 0.00 C ATOM 1199 C ILE A 78 9.933 -18.731 1.103 1.00 0.00 C ATOM 1200 O ILE A 78 9.402 -19.838 0.978 1.00 0.00 O ATOM 1201 CB ILE A 78 8.922 -17.282 -0.781 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.288 -16.279 -1.905 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.008 -16.595 0.253 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.117 -15.909 -2.824 1.00 0.00 C ATOM 0 H ILE A 78 10.412 -18.838 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 78 10.788 -16.990 0.197 1.00 0.00 H new ATOM 0 HB ILE A 78 8.374 -18.123 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.680 -15.369 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.089 -16.704 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.119 -16.209 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.712 -17.317 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.546 -15.772 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.458 -15.204 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.737 -16.808 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.322 -15.452 -2.235 1.00 0.00 H new ATOM 1216 N ALA A 79 10.242 -18.212 2.296 1.00 0.00 N ATOM 1217 CA ALA A 79 10.089 -18.914 3.573 1.00 0.00 C ATOM 1218 C ALA A 79 9.198 -18.132 4.548 1.00 0.00 C ATOM 1219 O ALA A 79 9.299 -18.272 5.768 1.00 0.00 O ATOM 1220 CB ALA A 79 11.476 -19.242 4.144 1.00 0.00 C ATOM 0 H ALA A 79 10.615 -17.268 2.402 1.00 0.00 H new ATOM 0 HA ALA A 79 9.569 -19.858 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.364 -19.764 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.017 -19.877 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.033 -18.318 4.301 1.00 0.00 H new ATOM 1226 N MET A 80 8.331 -17.290 3.987 1.00 0.00 N ATOM 1227 CA MET A 80 7.242 -16.634 4.709 1.00 0.00 C ATOM 1228 C MET A 80 6.175 -17.682 5.073 1.00 0.00 C ATOM 1229 O MET A 80 6.165 -18.757 4.463 1.00 0.00 O ATOM 1230 CB MET A 80 6.643 -15.525 3.828 1.00 0.00 C ATOM 1231 CG MET A 80 7.581 -14.314 3.771 1.00 0.00 C ATOM 1232 SD MET A 80 7.023 -12.953 2.711 1.00 0.00 S ATOM 1233 CE MET A 80 5.481 -12.461 3.535 1.00 0.00 C ATOM 0 H MET A 80 8.367 -17.040 2.999 1.00 0.00 H new ATOM 0 HA MET A 80 7.616 -16.182 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.471 -15.906 2.821 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.674 -15.222 4.224 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.717 -13.932 4.783 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.558 -14.648 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.111 -11.537 3.092 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.736 -13.247 3.412 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.670 -12.304 4.597 1.00 0.00 H new ATOM 1243 N PRO A 81 5.271 -17.391 6.031 1.00 0.00 N ATOM 1244 CA PRO A 81 4.153 -18.263 6.374 1.00 0.00 C ATOM 1245 C PRO A 81 3.403 -18.761 5.136 1.00 0.00 C ATOM 1246 O PRO A 81 3.082 -17.981 4.232 1.00 0.00 O ATOM 1247 CB PRO A 81 3.250 -17.438 7.296 1.00 0.00 C ATOM 1248 CG PRO A 81 4.235 -16.497 7.983 1.00 0.00 C ATOM 1249 CD PRO A 81 5.255 -16.207 6.884 1.00 0.00 C ATOM 0 HA PRO A 81 4.503 -19.169 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.492 -16.891 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.723 -18.067 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.747 -15.587 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.699 -16.963 8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.975 -15.320 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.241 -16.017 7.307 1.00 0.00 H new ATOM 1257 N LYS A 82 3.100 -20.060 5.112 1.00 0.00 N ATOM 1258 CA LYS A 82 2.397 -20.704 4.009 1.00 0.00 C ATOM 1259 C LYS A 82 1.009 -21.128 4.468 1.00 0.00 C ATOM 1260 O LYS A 82 0.748 -21.283 5.664 1.00 0.00 O ATOM 1261 CB LYS A 82 3.158 -21.954 3.510 1.00 0.00 C ATOM 1262 CG LYS A 82 4.631 -21.768 3.112 1.00 0.00 C ATOM 1263 CD LYS A 82 4.832 -20.761 1.967 1.00 0.00 C ATOM 1264 CE LYS A 82 6.308 -20.478 1.624 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.058 -21.652 1.116 1.00 0.00 N ATOM 0 H LYS A 82 3.340 -20.700 5.869 1.00 0.00 H new ATOM 0 HA LYS A 82 2.327 -19.987 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.113 -22.712 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.623 -22.353 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.196 -21.434 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.044 -22.732 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.329 -21.137 1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.347 -19.822 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.349 -19.686 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.809 -20.101 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.937 -21.332 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.289 -22.286 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.475 -22.163 0.422 1.00 0.00 H new ATOM 1279 N VAL A 83 0.152 -21.388 3.494 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.130 -22.054 3.633 1.00 0.00 C ATOM 1281 C VAL A 83 -1.066 -23.161 2.579 1.00 0.00 C ATOM 1282 O VAL A 83 -0.438 -22.986 1.530 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.277 -21.043 3.431 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.659 -21.713 3.427 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.274 -19.976 4.539 1.00 0.00 C ATOM 0 H VAL A 83 0.346 -21.123 2.528 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.325 -22.475 4.619 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.100 -20.586 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.430 -20.956 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.708 -22.441 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.821 -22.218 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.093 -19.276 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.400 -20.458 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.327 -19.437 4.522 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.648 -24.323 2.875 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.477 -25.542 2.088 1.00 0.00 C ATOM 1297 C LYS A 84 -2.818 -26.254 1.932 1.00 0.00 C ATOM 1298 O LYS A 84 -3.778 -25.941 2.643 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.441 -26.457 2.772 1.00 0.00 C ATOM 1300 CG LYS A 84 0.999 -25.913 2.695 1.00 0.00 C ATOM 1301 CD LYS A 84 2.035 -26.863 3.317 1.00 0.00 C ATOM 1302 CE LYS A 84 1.851 -27.010 4.835 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.882 -27.890 5.442 1.00 0.00 N ATOM 0 H LYS A 84 -2.261 -24.445 3.681 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.111 -25.287 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.717 -26.588 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.475 -27.443 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.259 -25.735 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.045 -24.950 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.955 -27.843 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.038 -26.490 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.895 -26.026 5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.861 -27.417 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.719 -27.960 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.824 -28.837 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.826 -27.490 5.268 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.879 -27.225 1.024 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.052 -28.047 0.772 1.00 0.00 C ATOM 1319 C GLY A 85 -3.651 -29.300 0.002 1.00 0.00 C ATOM 1320 O GLY A 85 -2.438 -29.586 -0.098 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.556 -30.015 -0.471 1.00 0.00 O ATOM 0 H GLY A 85 -2.088 -27.466 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.522 -28.324 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.789 -27.480 0.203 1.00 0.00 H new