USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 58 LYS NZ :NH3+ -177:sc= 1.59 (180deg=0.317) USER MOD Set 1.2: A 62 SER OG : rot 63:sc= 1.85 USER MOD Set 1.3: A 66 TYR OH : rot 180:sc= 0.331 USER MOD Set 2.1: A 48 CYS SG : rot 140:sc= 0.793 USER MOD Set 2.2: A 54 SER OG : rot -179:sc= 1.23 USER MOD Set 2.3: A 71 ASN : amide:sc= -0.296 X(o=1.7,f=1.9) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.815 K(o=1.8,f=-0.98) USER MOD Set 3.2: A 47 TYR OH : rot 0:sc= 0.0781 USER MOD Set 3.3: A 49 ASN : amide:sc= 0.864 K(o=1.8,f=0.14) USER MOD Set 4.1: A 43 THR OG1 : rot -58:sc= 1.31 USER MOD Set 4.2: A 68 HIS : no HD1:sc= 0.933 K(o=2.2,f=-3.9!) USER MOD Single : A 3 HIS : no HE2:sc= 1.31 K(o=1.3,f=-4.1!) USER MOD Single : A 13 TYR OH : rot -9:sc= 1.25 USER MOD Single : A 14 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 15 GLN : amide:sc= 0.956 K(o=0.96,f=-0.035) USER MOD Single : A 17 HIS : no HE2:sc= 0.972 K(o=0.97,f=-3!) USER MOD Single : A 19 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.25) USER MOD Single : A 23 ASN : amide:sc= 1.48 K(o=1.5,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 1.31 (180deg=0.828) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.58 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.23) USER MOD Single : A 41 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.91) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.23) USER MOD Single : A 53 GLN : amide:sc= 1.2 K(o=1.2,f=-5.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 64 MET CE :methyl -171:sc= 0 (180deg=-0.14) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.000535 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -174:sc= 0 (180deg=-0.0364) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 1.67 (180deg=1.64) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 -0.105 0.910 -4.296 1.00 0.00 N ATOM 14 CA GLU A 2 0.591 1.937 -5.054 1.00 0.00 C ATOM 15 C GLU A 2 0.362 1.660 -6.543 1.00 0.00 C ATOM 16 O GLU A 2 0.158 0.506 -6.937 1.00 0.00 O ATOM 17 CB GLU A 2 2.103 1.925 -4.746 1.00 0.00 C ATOM 18 CG GLU A 2 2.483 1.877 -3.256 1.00 0.00 C ATOM 19 CD GLU A 2 4.005 1.973 -3.061 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.695 0.928 -3.096 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.525 3.091 -2.844 1.00 0.00 O ATOM 0 HA GLU A 2 0.205 2.919 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.549 1.063 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.551 2.815 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.995 2.696 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.116 0.950 -2.815 1.00 0.00 H new ATOM 28 N HIS A 3 0.468 2.701 -7.368 1.00 0.00 N ATOM 29 CA HIS A 3 0.472 2.632 -8.827 1.00 0.00 C ATOM 30 C HIS A 3 1.502 3.642 -9.330 1.00 0.00 C ATOM 31 O HIS A 3 1.882 4.554 -8.594 1.00 0.00 O ATOM 32 CB HIS A 3 -0.920 2.964 -9.403 1.00 0.00 C ATOM 33 CG HIS A 3 -1.945 1.870 -9.229 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.709 1.638 -8.111 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.303 0.930 -10.160 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.496 0.579 -8.351 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.290 0.108 -9.596 1.00 0.00 N ATOM 0 H HIS A 3 0.557 3.656 -7.022 1.00 0.00 H new ATOM 0 HA HIS A 3 0.724 1.622 -9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.290 3.871 -8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.817 3.183 -10.466 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.682 2.179 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.896 0.838 -11.156 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.198 0.162 -7.644 1.00 0.00 H new ATOM 45 N TRP A 4 1.904 3.518 -10.595 1.00 0.00 N ATOM 46 CA TRP A 4 2.775 4.466 -11.272 1.00 0.00 C ATOM 47 C TRP A 4 2.083 4.842 -12.575 1.00 0.00 C ATOM 48 O TRP A 4 1.568 3.963 -13.272 1.00 0.00 O ATOM 49 CB TRP A 4 4.152 3.840 -11.537 1.00 0.00 C ATOM 50 CG TRP A 4 4.967 3.514 -10.321 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.926 2.349 -9.635 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.964 4.337 -9.639 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.819 2.391 -8.585 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.500 3.590 -8.546 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.477 5.637 -9.838 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.499 4.101 -7.704 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.479 6.160 -8.998 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.999 5.392 -7.940 1.00 0.00 C ATOM 0 H TRP A 4 1.624 2.736 -11.187 1.00 0.00 H new ATOM 0 HA TRP A 4 2.946 5.351 -10.659 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.009 2.925 -12.111 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.726 4.523 -12.163 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.289 1.511 -9.874 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.959 1.630 -7.920 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.095 6.241 -10.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.879 3.509 -6.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.852 7.159 -9.167 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.780 5.794 -7.312 1.00 0.00 H new ATOM 69 N ILE A 5 2.075 6.127 -12.916 1.00 0.00 N ATOM 70 CA ILE A 5 1.383 6.651 -14.083 1.00 0.00 C ATOM 71 C ILE A 5 2.379 7.539 -14.824 1.00 0.00 C ATOM 72 O ILE A 5 2.983 8.432 -14.223 1.00 0.00 O ATOM 73 CB ILE A 5 0.116 7.443 -13.673 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.802 6.741 -12.645 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.696 7.813 -14.925 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.501 5.454 -13.106 1.00 0.00 C ATOM 0 H ILE A 5 2.559 6.845 -12.377 1.00 0.00 H new ATOM 0 HA ILE A 5 1.039 5.841 -14.726 1.00 0.00 H new ATOM 0 HB ILE A 5 0.489 8.332 -13.165 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.207 6.507 -11.762 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.568 7.451 -12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.586 8.370 -14.630 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.085 8.428 -15.586 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.993 6.904 -15.448 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.113 5.062 -12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.134 5.672 -13.966 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.752 4.713 -13.386 1.00 0.00 H new ATOM 88 N ASP A 6 2.541 7.282 -16.118 1.00 0.00 N ATOM 89 CA ASP A 6 3.248 8.151 -17.047 1.00 0.00 C ATOM 90 C ASP A 6 2.194 9.027 -17.698 1.00 0.00 C ATOM 91 O ASP A 6 1.277 8.504 -18.332 1.00 0.00 O ATOM 92 CB ASP A 6 3.921 7.336 -18.151 1.00 0.00 C ATOM 93 CG ASP A 6 4.394 8.214 -19.322 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.681 9.420 -19.146 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.499 7.655 -20.437 1.00 0.00 O ATOM 0 H ASP A 6 2.173 6.439 -16.560 1.00 0.00 H new ATOM 0 HA ASP A 6 4.011 8.721 -16.518 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.774 6.800 -17.735 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.223 6.586 -18.522 1.00 0.00 H new ATOM 100 N VAL A 7 2.322 10.340 -17.563 1.00 0.00 N ATOM 101 CA VAL A 7 1.325 11.281 -18.085 1.00 0.00 C ATOM 102 C VAL A 7 1.801 12.072 -19.306 1.00 0.00 C ATOM 103 O VAL A 7 1.148 13.048 -19.681 1.00 0.00 O ATOM 104 CB VAL A 7 0.732 12.160 -16.968 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.143 11.307 -15.836 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.779 13.128 -16.402 1.00 0.00 C ATOM 0 H VAL A 7 3.110 10.786 -17.094 1.00 0.00 H new ATOM 0 HA VAL A 7 0.504 10.676 -18.469 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.072 12.743 -17.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.267 11.959 -15.065 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.649 10.672 -16.233 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.926 10.683 -15.405 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.328 13.733 -15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.613 12.561 -15.989 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.141 13.779 -17.198 1.00 0.00 H new ATOM 116 N ARG A 8 2.899 11.681 -19.962 1.00 0.00 N ATOM 117 CA ARG A 8 3.256 12.276 -21.251 1.00 0.00 C ATOM 118 C ARG A 8 2.707 11.434 -22.393 1.00 0.00 C ATOM 119 O ARG A 8 2.063 10.404 -22.188 1.00 0.00 O ATOM 120 CB ARG A 8 4.776 12.502 -21.383 1.00 0.00 C ATOM 121 CG ARG A 8 5.047 14.003 -21.568 1.00 0.00 C ATOM 122 CD ARG A 8 6.505 14.295 -21.921 1.00 0.00 C ATOM 123 NE ARG A 8 6.707 15.749 -22.013 1.00 0.00 N ATOM 124 CZ ARG A 8 7.726 16.409 -22.571 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.723 15.767 -23.175 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.716 17.734 -22.500 1.00 0.00 N ATOM 0 H ARG A 8 3.546 10.967 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 8 2.794 13.262 -21.305 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.289 12.134 -20.495 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.167 11.942 -22.232 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.401 14.391 -22.355 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.785 14.532 -20.652 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.165 13.873 -21.163 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.763 13.821 -22.868 1.00 0.00 H new ATOM 0 HE ARG A 8 5.976 16.327 -21.598 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.721 14.748 -23.220 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.490 16.294 -23.593 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.948 18.214 -22.031 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.477 18.273 -22.914 1.00 0.00 H new ATOM 140 N VAL A 9 2.974 11.905 -23.607 1.00 0.00 N ATOM 141 CA VAL A 9 2.709 11.193 -24.844 1.00 0.00 C ATOM 142 C VAL A 9 3.313 9.777 -24.799 1.00 0.00 C ATOM 143 O VAL A 9 4.391 9.600 -24.220 1.00 0.00 O ATOM 144 CB VAL A 9 3.275 12.010 -26.025 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.363 13.203 -26.342 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.712 12.525 -25.803 1.00 0.00 C ATOM 0 H VAL A 9 3.394 12.822 -23.757 1.00 0.00 H new ATOM 0 HA VAL A 9 1.633 11.078 -24.977 1.00 0.00 H new ATOM 0 HB VAL A 9 3.310 11.315 -26.864 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.779 13.767 -27.177 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.370 12.841 -26.607 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.292 13.849 -25.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.036 13.089 -26.678 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.735 13.171 -24.926 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.382 11.679 -25.648 1.00 0.00 H new ATOM 156 N PRO A 10 2.689 8.784 -25.465 1.00 0.00 N ATOM 157 CA PRO A 10 3.264 7.453 -25.645 1.00 0.00 C ATOM 158 C PRO A 10 4.686 7.473 -26.211 1.00 0.00 C ATOM 159 O PRO A 10 5.456 6.557 -25.940 1.00 0.00 O ATOM 160 CB PRO A 10 2.321 6.709 -26.595 1.00 0.00 C ATOM 161 CG PRO A 10 0.981 7.410 -26.405 1.00 0.00 C ATOM 162 CD PRO A 10 1.377 8.852 -26.098 1.00 0.00 C ATOM 0 HA PRO A 10 3.354 6.963 -24.676 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.662 6.773 -27.628 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.257 5.650 -26.346 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.363 7.345 -27.300 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.408 6.968 -25.590 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.414 9.449 -27.009 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.649 9.324 -25.438 1.00 0.00 H new ATOM 170 N GLU A 11 5.063 8.505 -26.974 1.00 0.00 N ATOM 171 CA GLU A 11 6.387 8.632 -27.561 1.00 0.00 C ATOM 172 C GLU A 11 7.486 8.508 -26.496 1.00 0.00 C ATOM 173 O GLU A 11 8.492 7.845 -26.753 1.00 0.00 O ATOM 174 CB GLU A 11 6.451 9.974 -28.306 1.00 0.00 C ATOM 175 CG GLU A 11 7.693 10.136 -29.188 1.00 0.00 C ATOM 176 CD GLU A 11 7.674 9.207 -30.417 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.083 9.581 -31.456 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.266 8.106 -30.366 1.00 0.00 O ATOM 0 H GLU A 11 4.443 9.283 -27.200 1.00 0.00 H new ATOM 0 HA GLU A 11 6.563 7.820 -28.266 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.561 10.077 -28.927 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.427 10.784 -27.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.765 11.171 -29.521 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.584 9.930 -28.595 1.00 0.00 H new ATOM 185 N GLN A 12 7.300 9.081 -25.294 1.00 0.00 N ATOM 186 CA GLN A 12 8.300 8.952 -24.237 1.00 0.00 C ATOM 187 C GLN A 12 8.342 7.512 -23.710 1.00 0.00 C ATOM 188 O GLN A 12 9.423 6.954 -23.531 1.00 0.00 O ATOM 189 CB GLN A 12 8.100 10.027 -23.152 1.00 0.00 C ATOM 190 CG GLN A 12 7.203 9.677 -21.949 1.00 0.00 C ATOM 191 CD GLN A 12 7.926 8.896 -20.841 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.042 9.237 -20.454 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.310 7.860 -20.301 1.00 0.00 N ATOM 0 H GLN A 12 6.478 9.628 -25.039 1.00 0.00 H new ATOM 0 HA GLN A 12 9.292 9.144 -24.646 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.082 10.302 -22.768 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.686 10.914 -23.632 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.801 10.598 -21.528 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.354 9.090 -22.300 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.384 7.588 -20.632 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.760 7.332 -19.553 1.00 0.00 H new ATOM 202 N TYR A 13 7.170 6.891 -23.532 1.00 0.00 N ATOM 203 CA TYR A 13 7.011 5.523 -23.064 1.00 0.00 C ATOM 204 C TYR A 13 7.741 4.551 -23.993 1.00 0.00 C ATOM 205 O TYR A 13 8.394 3.615 -23.527 1.00 0.00 O ATOM 206 CB TYR A 13 5.505 5.216 -22.983 1.00 0.00 C ATOM 207 CG TYR A 13 5.098 4.035 -22.125 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.813 4.232 -20.761 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.907 2.766 -22.704 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.322 3.176 -19.977 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.423 1.700 -21.925 1.00 0.00 C ATOM 212 CZ TYR A 13 4.119 1.902 -20.558 1.00 0.00 C ATOM 213 OH TYR A 13 3.609 0.879 -19.819 1.00 0.00 O ATOM 0 H TYR A 13 6.279 7.350 -23.719 1.00 0.00 H new ATOM 0 HA TYR A 13 7.453 5.404 -22.075 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.996 6.103 -22.605 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.137 5.045 -23.995 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.973 5.202 -20.314 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.133 2.611 -23.749 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.100 3.336 -18.932 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.283 0.726 -22.371 1.00 0.00 H new ATOM 0 HH TYR A 13 3.572 1.143 -18.876 1.00 0.00 H new ATOM 223 N GLN A 14 7.672 4.799 -25.306 1.00 0.00 N ATOM 224 CA GLN A 14 8.350 4.015 -26.321 1.00 0.00 C ATOM 225 C GLN A 14 9.875 4.204 -26.331 1.00 0.00 C ATOM 226 O GLN A 14 10.551 3.431 -27.012 1.00 0.00 O ATOM 227 CB GLN A 14 7.737 4.305 -27.705 1.00 0.00 C ATOM 228 CG GLN A 14 6.275 3.837 -27.851 1.00 0.00 C ATOM 229 CD GLN A 14 6.048 2.395 -27.389 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.223 2.123 -26.522 1.00 0.00 O ATOM 231 NE2 GLN A 14 6.798 1.446 -27.925 1.00 0.00 N ATOM 0 H GLN A 14 7.128 5.571 -25.692 1.00 0.00 H new ATOM 0 HA GLN A 14 8.193 2.966 -26.069 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.786 5.377 -27.896 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.342 3.817 -28.469 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.630 4.501 -27.275 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.975 3.927 -28.895 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.481 1.681 -28.645 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.693 0.479 -27.618 1.00 0.00 H new ATOM 240 N GLN A 15 10.442 5.181 -25.609 1.00 0.00 N ATOM 241 CA GLN A 15 11.887 5.223 -25.401 1.00 0.00 C ATOM 242 C GLN A 15 12.163 4.253 -24.252 1.00 0.00 C ATOM 243 O GLN A 15 12.635 3.138 -24.476 1.00 0.00 O ATOM 244 CB GLN A 15 12.407 6.650 -25.116 1.00 0.00 C ATOM 245 CG GLN A 15 11.892 7.730 -26.078 1.00 0.00 C ATOM 246 CD GLN A 15 11.987 7.346 -27.557 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.066 7.085 -28.086 1.00 0.00 O ATOM 248 NE2 GLN A 15 10.864 7.304 -28.255 1.00 0.00 N ATOM 0 H GLN A 15 9.926 5.941 -25.166 1.00 0.00 H new ATOM 0 HA GLN A 15 12.424 4.927 -26.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.128 6.926 -24.099 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.496 6.639 -25.155 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.852 7.950 -25.837 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.458 8.647 -25.915 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.975 7.523 -27.805 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.887 7.053 -29.243 1.00 0.00 H new ATOM 257 N GLU A 16 11.766 4.637 -23.039 1.00 0.00 N ATOM 258 CA GLU A 16 11.716 3.793 -21.859 1.00 0.00 C ATOM 259 C GLU A 16 10.780 4.456 -20.854 1.00 0.00 C ATOM 260 O GLU A 16 10.542 5.665 -20.911 1.00 0.00 O ATOM 261 CB GLU A 16 13.113 3.528 -21.258 1.00 0.00 C ATOM 262 CG GLU A 16 13.881 4.771 -20.781 1.00 0.00 C ATOM 263 CD GLU A 16 15.349 4.440 -20.449 1.00 0.00 C ATOM 264 OE1 GLU A 16 16.072 3.905 -21.322 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.800 4.738 -19.321 1.00 0.00 O ATOM 0 H GLU A 16 11.457 5.591 -22.850 1.00 0.00 H new ATOM 0 HA GLU A 16 11.336 2.809 -22.133 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.002 2.847 -20.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.718 3.014 -22.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.847 5.539 -21.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.392 5.185 -19.899 1.00 0.00 H new ATOM 272 N HIS A 17 10.257 3.662 -19.929 1.00 0.00 N ATOM 273 CA HIS A 17 9.256 4.074 -18.961 1.00 0.00 C ATOM 274 C HIS A 17 9.543 3.368 -17.642 1.00 0.00 C ATOM 275 O HIS A 17 10.113 2.274 -17.644 1.00 0.00 O ATOM 276 CB HIS A 17 7.859 3.715 -19.496 1.00 0.00 C ATOM 277 CG HIS A 17 7.727 2.297 -20.010 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.946 1.872 -21.301 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.374 1.193 -19.280 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.738 0.546 -21.344 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.381 0.080 -20.133 1.00 0.00 N ATOM 0 H HIS A 17 10.528 2.684 -19.831 1.00 0.00 H new ATOM 0 HA HIS A 17 9.289 5.151 -18.798 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.129 3.869 -18.701 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.604 4.405 -20.301 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.219 2.461 -22.088 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.132 1.182 -18.228 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.843 -0.063 -22.230 1.00 0.00 H new ATOM 289 N VAL A 18 9.140 3.983 -16.527 1.00 0.00 N ATOM 290 CA VAL A 18 9.180 3.366 -15.203 1.00 0.00 C ATOM 291 C VAL A 18 8.457 2.021 -15.292 1.00 0.00 C ATOM 292 O VAL A 18 7.358 1.941 -15.851 1.00 0.00 O ATOM 293 CB VAL A 18 8.549 4.314 -14.159 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.450 3.669 -12.770 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.361 5.614 -14.040 1.00 0.00 C ATOM 0 H VAL A 18 8.773 4.935 -16.521 1.00 0.00 H new ATOM 0 HA VAL A 18 10.205 3.189 -14.877 1.00 0.00 H new ATOM 0 HB VAL A 18 7.541 4.532 -14.513 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.000 4.375 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.832 2.773 -12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.447 3.400 -12.422 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.898 6.266 -13.299 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.380 5.380 -13.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.382 6.119 -15.005 1.00 0.00 H new ATOM 305 N GLN A 19 9.089 0.967 -14.769 1.00 0.00 N ATOM 306 CA GLN A 19 8.590 -0.396 -14.851 1.00 0.00 C ATOM 307 C GLN A 19 7.152 -0.447 -14.322 1.00 0.00 C ATOM 308 O GLN A 19 6.897 -0.116 -13.162 1.00 0.00 O ATOM 309 CB GLN A 19 9.563 -1.326 -14.100 1.00 0.00 C ATOM 310 CG GLN A 19 9.244 -2.826 -14.222 1.00 0.00 C ATOM 311 CD GLN A 19 8.209 -3.311 -13.203 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.521 -3.539 -12.037 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.960 -3.485 -13.608 1.00 0.00 N ATOM 0 H GLN A 19 9.975 1.045 -14.270 1.00 0.00 H new ATOM 0 HA GLN A 19 8.548 -0.745 -15.883 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.572 -1.152 -14.474 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.563 -1.053 -13.045 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.877 -3.032 -15.228 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.164 -3.397 -14.095 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.707 -3.294 -14.577 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.251 -3.810 -12.950 1.00 0.00 H new ATOM 322 N GLY A 20 6.221 -0.875 -15.181 1.00 0.00 N ATOM 323 CA GLY A 20 4.828 -1.111 -14.816 1.00 0.00 C ATOM 324 C GLY A 20 3.974 0.158 -14.778 1.00 0.00 C ATOM 325 O GLY A 20 2.810 0.072 -14.383 1.00 0.00 O ATOM 0 H GLY A 20 6.421 -1.069 -16.162 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.390 -1.811 -15.527 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.795 -1.589 -13.837 1.00 0.00 H new ATOM 329 N ALA A 21 4.513 1.321 -15.167 1.00 0.00 N ATOM 330 CA ALA A 21 3.706 2.537 -15.267 1.00 0.00 C ATOM 331 C ALA A 21 2.609 2.352 -16.316 1.00 0.00 C ATOM 332 O ALA A 21 2.855 1.767 -17.373 1.00 0.00 O ATOM 333 CB ALA A 21 4.552 3.773 -15.602 1.00 0.00 C ATOM 0 H ALA A 21 5.495 1.442 -15.415 1.00 0.00 H new ATOM 0 HA ALA A 21 3.255 2.709 -14.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.907 4.649 -15.665 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.297 3.926 -14.821 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.054 3.622 -16.558 1.00 0.00 H new ATOM 339 N ILE A 22 1.421 2.894 -16.054 1.00 0.00 N ATOM 340 CA ILE A 22 0.348 2.979 -17.040 1.00 0.00 C ATOM 341 C ILE A 22 0.576 4.294 -17.794 1.00 0.00 C ATOM 342 O ILE A 22 0.703 5.339 -17.154 1.00 0.00 O ATOM 343 CB ILE A 22 -1.047 2.944 -16.360 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.161 1.841 -15.277 1.00 0.00 C ATOM 345 CG2 ILE A 22 -2.125 2.744 -17.445 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.509 1.813 -14.544 1.00 0.00 C ATOM 0 H ILE A 22 1.176 3.289 -15.146 1.00 0.00 H new ATOM 0 HA ILE A 22 0.364 2.128 -17.721 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.194 3.894 -15.846 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.995 0.871 -15.745 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.366 1.983 -14.545 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.110 2.718 -16.979 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.082 3.568 -18.157 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.946 1.804 -17.967 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.504 1.013 -13.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.671 2.768 -14.044 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.310 1.638 -15.262 1.00 0.00 H new ATOM 358 N ASN A 23 0.633 4.274 -19.130 1.00 0.00 N ATOM 359 CA ASN A 23 0.640 5.515 -19.906 1.00 0.00 C ATOM 360 C ASN A 23 -0.785 6.068 -19.951 1.00 0.00 C ATOM 361 O ASN A 23 -1.683 5.433 -20.511 1.00 0.00 O ATOM 362 CB ASN A 23 1.205 5.311 -21.318 1.00 0.00 C ATOM 363 CG ASN A 23 1.151 6.628 -22.089 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.244 6.843 -22.884 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.076 7.544 -21.857 1.00 0.00 N ATOM 0 H ASN A 23 0.674 3.422 -19.690 1.00 0.00 H new ATOM 0 HA ASN A 23 1.300 6.233 -19.419 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.233 4.954 -21.261 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.631 4.547 -21.843 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.039 8.441 -22.342 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.827 7.354 -21.193 1.00 0.00 H new ATOM 372 N ILE A 24 -0.993 7.239 -19.350 1.00 0.00 N ATOM 373 CA ILE A 24 -2.263 7.950 -19.269 1.00 0.00 C ATOM 374 C ILE A 24 -1.949 9.436 -19.505 1.00 0.00 C ATOM 375 O ILE A 24 -1.772 10.175 -18.535 1.00 0.00 O ATOM 376 CB ILE A 24 -2.980 7.713 -17.914 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.063 6.224 -17.515 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.386 8.327 -18.001 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.871 5.972 -16.238 1.00 0.00 C ATOM 0 H ILE A 24 -0.238 7.742 -18.883 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.958 7.580 -20.022 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.391 8.193 -17.132 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.511 5.662 -18.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.053 5.837 -17.378 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.910 8.172 -17.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.305 9.396 -18.200 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.942 7.849 -18.807 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.885 4.904 -16.021 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.412 6.505 -15.406 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.892 6.327 -16.377 1.00 0.00 H new ATOM 391 N PRO A 25 -1.804 9.882 -20.766 1.00 0.00 N ATOM 392 CA PRO A 25 -1.391 11.240 -21.090 1.00 0.00 C ATOM 393 C PRO A 25 -2.242 12.298 -20.385 1.00 0.00 C ATOM 394 O PRO A 25 -3.444 12.112 -20.174 1.00 0.00 O ATOM 395 CB PRO A 25 -1.479 11.355 -22.615 1.00 0.00 C ATOM 396 CG PRO A 25 -1.274 9.912 -23.068 1.00 0.00 C ATOM 397 CD PRO A 25 -2.014 9.130 -21.989 1.00 0.00 C ATOM 0 HA PRO A 25 -0.377 11.428 -20.737 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.443 11.748 -22.937 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.714 12.019 -23.017 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.691 9.733 -24.059 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.218 9.645 -23.113 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.075 9.045 -22.222 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.625 8.116 -21.900 1.00 0.00 H new ATOM 405 N LEU A 26 -1.631 13.442 -20.076 1.00 0.00 N ATOM 406 CA LEU A 26 -2.258 14.558 -19.371 1.00 0.00 C ATOM 407 C LEU A 26 -3.557 15.028 -20.041 1.00 0.00 C ATOM 408 O LEU A 26 -4.475 15.469 -19.352 1.00 0.00 O ATOM 409 CB LEU A 26 -1.214 15.680 -19.221 1.00 0.00 C ATOM 410 CG LEU A 26 -1.763 16.919 -18.483 1.00 0.00 C ATOM 411 CD1 LEU A 26 -0.719 17.511 -17.537 1.00 0.00 C ATOM 412 CD2 LEU A 26 -2.213 18.023 -19.450 1.00 0.00 C ATOM 0 H LEU A 26 -0.656 13.622 -20.317 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.573 14.231 -18.380 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.350 15.295 -18.680 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.864 15.978 -20.209 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.626 16.568 -17.917 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.137 18.382 -17.033 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.435 16.764 -16.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.161 17.809 -18.107 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.591 18.873 -18.882 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.366 18.341 -20.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.002 17.640 -20.098 1.00 0.00 H new ATOM 424 N LYS A 27 -3.673 14.882 -21.367 1.00 0.00 N ATOM 425 CA LYS A 27 -4.892 15.201 -22.117 1.00 0.00 C ATOM 426 C LYS A 27 -6.108 14.380 -21.665 1.00 0.00 C ATOM 427 O LYS A 27 -7.237 14.788 -21.935 1.00 0.00 O ATOM 428 CB LYS A 27 -4.655 14.989 -23.624 1.00 0.00 C ATOM 429 CG LYS A 27 -3.576 15.922 -24.195 1.00 0.00 C ATOM 430 CD LYS A 27 -3.419 15.716 -25.710 1.00 0.00 C ATOM 431 CE LYS A 27 -2.304 16.586 -26.313 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.625 18.037 -26.303 1.00 0.00 N ATOM 0 H LYS A 27 -2.915 14.535 -21.954 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.119 16.248 -21.914 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.363 13.954 -23.799 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.590 15.151 -24.160 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.841 16.959 -23.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.625 15.732 -23.698 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.204 14.666 -25.910 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.363 15.947 -26.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.382 16.421 -25.756 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.119 16.268 -27.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.836 18.570 -26.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.489 18.205 -26.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.775 18.353 -25.323 1.00 0.00 H new ATOM 446 N GLU A 28 -5.903 13.239 -21.001 1.00 0.00 N ATOM 447 CA GLU A 28 -6.944 12.260 -20.695 1.00 0.00 C ATOM 448 C GLU A 28 -6.966 11.887 -19.207 1.00 0.00 C ATOM 449 O GLU A 28 -7.966 11.342 -18.732 1.00 0.00 O ATOM 450 CB GLU A 28 -6.707 10.989 -21.524 1.00 0.00 C ATOM 451 CG GLU A 28 -6.564 11.208 -23.038 1.00 0.00 C ATOM 452 CD GLU A 28 -6.468 9.873 -23.799 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.751 8.953 -23.342 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.104 9.740 -24.871 1.00 0.00 O ATOM 0 H GLU A 28 -4.984 12.966 -20.653 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.904 12.712 -20.944 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.805 10.500 -21.158 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.535 10.302 -21.350 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.418 11.776 -23.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.674 11.805 -23.237 1.00 0.00 H new ATOM 461 N VAL A 29 -5.887 12.173 -18.464 1.00 0.00 N ATOM 462 CA VAL A 29 -5.699 11.777 -17.067 1.00 0.00 C ATOM 463 C VAL A 29 -6.906 12.127 -16.182 1.00 0.00 C ATOM 464 O VAL A 29 -7.268 11.336 -15.309 1.00 0.00 O ATOM 465 CB VAL A 29 -4.349 12.346 -16.546 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.405 13.831 -16.153 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.823 11.520 -15.366 1.00 0.00 C ATOM 0 H VAL A 29 -5.098 12.703 -18.834 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.642 10.690 -17.013 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.663 12.271 -17.389 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.425 14.151 -15.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.691 14.426 -17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.139 13.970 -15.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.878 11.939 -15.021 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.549 11.544 -14.553 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.668 10.489 -15.684 1.00 0.00 H new ATOM 477 N LYS A 30 -7.564 13.269 -16.434 1.00 0.00 N ATOM 478 CA LYS A 30 -8.687 13.747 -15.629 1.00 0.00 C ATOM 479 C LYS A 30 -9.849 12.751 -15.614 1.00 0.00 C ATOM 480 O LYS A 30 -10.564 12.676 -14.619 1.00 0.00 O ATOM 481 CB LYS A 30 -9.142 15.132 -16.135 1.00 0.00 C ATOM 482 CG LYS A 30 -9.985 15.862 -15.076 1.00 0.00 C ATOM 483 CD LYS A 30 -10.237 17.337 -15.419 1.00 0.00 C ATOM 484 CE LYS A 30 -11.082 17.974 -14.306 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.148 19.452 -14.412 1.00 0.00 N ATOM 0 H LYS A 30 -7.326 13.888 -17.209 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.347 13.842 -14.598 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.269 15.734 -16.387 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.724 15.015 -17.049 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.942 15.352 -14.967 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.480 15.800 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.290 17.866 -15.522 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.753 17.418 -16.376 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.092 17.566 -14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.664 17.702 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.006 19.796 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.310 19.870 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.175 19.727 -15.415 1.00 0.00 H new ATOM 499 N GLU A 31 -10.036 11.977 -16.686 1.00 0.00 N ATOM 500 CA GLU A 31 -11.113 11.005 -16.793 1.00 0.00 C ATOM 501 C GLU A 31 -10.553 9.597 -16.585 1.00 0.00 C ATOM 502 O GLU A 31 -11.091 8.829 -15.785 1.00 0.00 O ATOM 503 CB GLU A 31 -11.775 11.176 -18.169 1.00 0.00 C ATOM 504 CG GLU A 31 -12.937 10.199 -18.366 1.00 0.00 C ATOM 505 CD GLU A 31 -13.686 10.463 -19.685 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.321 9.876 -20.729 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.664 11.245 -19.690 1.00 0.00 O ATOM 0 H GLU A 31 -9.435 12.012 -17.509 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.870 11.163 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.138 12.198 -18.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.032 11.020 -18.952 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.558 9.177 -18.361 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.631 10.286 -17.530 1.00 0.00 H new ATOM 514 N ARG A 32 -9.447 9.259 -17.263 1.00 0.00 N ATOM 515 CA ARG A 32 -8.898 7.901 -17.259 1.00 0.00 C ATOM 516 C ARG A 32 -8.426 7.449 -15.878 1.00 0.00 C ATOM 517 O ARG A 32 -8.306 6.241 -15.665 1.00 0.00 O ATOM 518 CB ARG A 32 -7.762 7.782 -18.284 1.00 0.00 C ATOM 519 CG ARG A 32 -8.267 7.693 -19.735 1.00 0.00 C ATOM 520 CD ARG A 32 -7.115 7.549 -20.742 1.00 0.00 C ATOM 521 NE ARG A 32 -6.377 6.278 -20.591 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.168 6.019 -21.108 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.605 6.840 -21.990 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.500 4.939 -20.720 1.00 0.00 N ATOM 0 H ARG A 32 -8.911 9.919 -17.827 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.712 7.233 -17.541 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.101 8.644 -18.187 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.167 6.897 -18.057 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.941 6.842 -19.832 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.845 8.586 -19.972 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.513 7.614 -21.754 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.423 8.382 -20.617 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.824 5.538 -20.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.094 7.685 -22.285 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.684 6.625 -22.372 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.907 4.308 -20.030 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.580 4.740 -21.112 1.00 0.00 H new ATOM 538 N ILE A 33 -8.186 8.365 -14.933 1.00 0.00 N ATOM 539 CA ILE A 33 -7.875 7.999 -13.555 1.00 0.00 C ATOM 540 C ILE A 33 -8.932 7.045 -12.987 1.00 0.00 C ATOM 541 O ILE A 33 -8.565 6.084 -12.316 1.00 0.00 O ATOM 542 CB ILE A 33 -7.683 9.262 -12.681 1.00 0.00 C ATOM 543 CG1 ILE A 33 -7.219 8.931 -11.242 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.952 10.140 -12.618 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.863 8.218 -11.173 1.00 0.00 C ATOM 0 H ILE A 33 -8.203 9.370 -15.104 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.928 7.459 -13.544 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.893 9.826 -13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.161 9.856 -10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.972 8.305 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.761 11.012 -11.992 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.219 10.467 -13.623 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.773 9.562 -12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.608 8.021 -10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.919 7.275 -11.718 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.096 8.850 -11.621 1.00 0.00 H new ATOM 557 N ALA A 34 -10.222 7.266 -13.273 1.00 0.00 N ATOM 558 CA ALA A 34 -11.300 6.497 -12.663 1.00 0.00 C ATOM 559 C ALA A 34 -11.243 5.032 -13.103 1.00 0.00 C ATOM 560 O ALA A 34 -11.409 4.131 -12.280 1.00 0.00 O ATOM 561 CB ALA A 34 -12.650 7.122 -13.031 1.00 0.00 C ATOM 0 H ALA A 34 -10.540 7.979 -13.930 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.181 6.522 -11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.454 6.546 -12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.687 8.149 -12.667 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.770 7.117 -14.114 1.00 0.00 H new ATOM 567 N THR A 35 -10.995 4.792 -14.392 1.00 0.00 N ATOM 568 CA THR A 35 -10.865 3.454 -14.949 1.00 0.00 C ATOM 569 C THR A 35 -9.553 2.795 -14.501 1.00 0.00 C ATOM 570 O THR A 35 -9.535 1.591 -14.235 1.00 0.00 O ATOM 571 CB THR A 35 -10.989 3.539 -16.487 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.422 4.733 -17.005 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.463 3.549 -16.906 1.00 0.00 C ATOM 0 H THR A 35 -10.878 5.534 -15.083 1.00 0.00 H new ATOM 0 HA THR A 35 -11.666 2.817 -14.574 1.00 0.00 H new ATOM 0 HB THR A 35 -10.460 2.670 -16.878 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.632 4.976 -16.478 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.532 3.609 -17.992 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.945 2.634 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.962 4.411 -16.462 1.00 0.00 H new ATOM 581 N ALA A 36 -8.462 3.565 -14.393 1.00 0.00 N ATOM 582 CA ALA A 36 -7.153 3.035 -14.033 1.00 0.00 C ATOM 583 C ALA A 36 -7.085 2.649 -12.553 1.00 0.00 C ATOM 584 O ALA A 36 -6.557 1.586 -12.225 1.00 0.00 O ATOM 585 CB ALA A 36 -6.081 4.076 -14.361 1.00 0.00 C ATOM 0 H ALA A 36 -8.469 4.572 -14.554 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.978 2.128 -14.612 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.100 3.684 -14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.104 4.299 -15.428 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.274 4.988 -13.796 1.00 0.00 H new ATOM 591 N VAL A 37 -7.612 3.498 -11.665 1.00 0.00 N ATOM 592 CA VAL A 37 -7.505 3.354 -10.219 1.00 0.00 C ATOM 593 C VAL A 37 -8.848 3.775 -9.595 1.00 0.00 C ATOM 594 O VAL A 37 -9.100 4.970 -9.425 1.00 0.00 O ATOM 595 CB VAL A 37 -6.299 4.120 -9.651 1.00 0.00 C ATOM 596 CG1 VAL A 37 -6.019 3.639 -8.219 1.00 0.00 C ATOM 597 CG2 VAL A 37 -5.000 3.980 -10.467 1.00 0.00 C ATOM 0 H VAL A 37 -8.138 4.326 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.312 2.313 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.580 5.172 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.164 4.181 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.894 3.823 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.800 2.571 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.206 4.554 -9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.711 2.930 -10.513 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.162 4.356 -11.477 1.00 0.00 H new ATOM 607 N PRO A 38 -9.734 2.817 -9.261 1.00 0.00 N ATOM 608 CA PRO A 38 -11.037 3.082 -8.647 1.00 0.00 C ATOM 609 C PRO A 38 -11.017 3.842 -7.307 1.00 0.00 C ATOM 610 O PRO A 38 -12.087 4.226 -6.828 1.00 0.00 O ATOM 611 CB PRO A 38 -11.690 1.707 -8.465 1.00 0.00 C ATOM 612 CG PRO A 38 -11.046 0.853 -9.550 1.00 0.00 C ATOM 613 CD PRO A 38 -9.625 1.406 -9.608 1.00 0.00 C ATOM 0 HA PRO A 38 -11.587 3.756 -9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.499 1.302 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.772 1.759 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.059 -0.206 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.560 0.956 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.972 0.881 -8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.196 1.280 -10.602 1.00 0.00 H new ATOM 621 N ASP A 39 -9.855 4.047 -6.675 1.00 0.00 N ATOM 622 CA ASP A 39 -9.729 4.644 -5.346 1.00 0.00 C ATOM 623 C ASP A 39 -8.612 5.687 -5.341 1.00 0.00 C ATOM 624 O ASP A 39 -7.432 5.353 -5.451 1.00 0.00 O ATOM 625 CB ASP A 39 -9.458 3.556 -4.297 1.00 0.00 C ATOM 626 CG ASP A 39 -9.172 4.147 -2.905 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.572 5.301 -2.633 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.564 3.440 -2.072 1.00 0.00 O ATOM 0 H ASP A 39 -8.956 3.795 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.666 5.140 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.319 2.890 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.608 2.952 -4.614 1.00 0.00 H new ATOM 633 N LYS A 40 -8.983 6.962 -5.204 1.00 0.00 N ATOM 634 CA LYS A 40 -8.054 8.096 -5.199 1.00 0.00 C ATOM 635 C LYS A 40 -7.150 8.116 -3.958 1.00 0.00 C ATOM 636 O LYS A 40 -6.187 8.890 -3.933 1.00 0.00 O ATOM 637 CB LYS A 40 -8.842 9.415 -5.287 1.00 0.00 C ATOM 638 CG LYS A 40 -9.768 9.509 -6.514 1.00 0.00 C ATOM 639 CD LYS A 40 -10.680 10.740 -6.427 1.00 0.00 C ATOM 640 CE LYS A 40 -11.713 10.705 -7.564 1.00 0.00 C ATOM 641 NZ LYS A 40 -12.774 11.725 -7.383 1.00 0.00 N ATOM 0 H LYS A 40 -9.957 7.241 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.406 7.984 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.440 9.530 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.138 10.247 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.168 9.561 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.376 8.607 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.188 10.760 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.084 11.650 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.209 10.871 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.166 9.715 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.421 11.701 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.305 11.522 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.341 12.668 -7.313 1.00 0.00 H new ATOM 655 N ASN A 41 -7.450 7.306 -2.933 1.00 0.00 N ATOM 656 CA ASN A 41 -6.624 7.181 -1.734 1.00 0.00 C ATOM 657 C ASN A 41 -5.519 6.137 -1.930 1.00 0.00 C ATOM 658 O ASN A 41 -4.695 5.935 -1.039 1.00 0.00 O ATOM 659 CB ASN A 41 -7.493 6.822 -0.518 1.00 0.00 C ATOM 660 CG ASN A 41 -6.720 6.957 0.793 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.127 7.994 1.075 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.727 5.934 1.633 1.00 0.00 N ATOM 0 H ASN A 41 -8.282 6.716 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.148 8.144 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.368 7.472 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.858 5.800 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.236 6.003 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.223 5.077 1.389 1.00 0.00 H new ATOM 669 N ASP A 42 -5.495 5.441 -3.070 1.00 0.00 N ATOM 670 CA ASP A 42 -4.360 4.607 -3.444 1.00 0.00 C ATOM 671 C ASP A 42 -3.155 5.509 -3.733 1.00 0.00 C ATOM 672 O ASP A 42 -3.332 6.660 -4.146 1.00 0.00 O ATOM 673 CB ASP A 42 -4.711 3.772 -4.674 1.00 0.00 C ATOM 674 CG ASP A 42 -3.630 2.723 -4.908 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.716 1.654 -4.265 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.699 2.976 -5.702 1.00 0.00 O ATOM 0 H ASP A 42 -6.255 5.442 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.114 3.927 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.677 3.287 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.802 4.416 -5.549 1.00 0.00 H new ATOM 681 N THR A 43 -1.934 5.018 -3.518 1.00 0.00 N ATOM 682 CA THR A 43 -0.714 5.794 -3.703 1.00 0.00 C ATOM 683 C THR A 43 -0.355 5.849 -5.195 1.00 0.00 C ATOM 684 O THR A 43 0.587 5.202 -5.660 1.00 0.00 O ATOM 685 CB THR A 43 0.407 5.243 -2.809 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.100 4.962 -1.515 1.00 0.00 O ATOM 687 CG2 THR A 43 1.564 6.236 -2.662 1.00 0.00 C ATOM 0 H THR A 43 -1.766 4.061 -3.208 1.00 0.00 H new ATOM 0 HA THR A 43 -0.867 6.826 -3.386 1.00 0.00 H new ATOM 0 HB THR A 43 0.779 4.337 -3.287 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.476 5.779 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.334 5.805 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.986 6.451 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.196 7.160 -2.216 1.00 0.00 H new ATOM 695 N VAL A 44 -1.153 6.581 -5.969 1.00 0.00 N ATOM 696 CA VAL A 44 -0.941 6.794 -7.391 1.00 0.00 C ATOM 697 C VAL A 44 0.224 7.772 -7.549 1.00 0.00 C ATOM 698 O VAL A 44 0.051 8.985 -7.420 1.00 0.00 O ATOM 699 CB VAL A 44 -2.248 7.289 -8.048 1.00 0.00 C ATOM 700 CG1 VAL A 44 -2.097 7.372 -9.570 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.431 6.359 -7.741 1.00 0.00 C ATOM 0 H VAL A 44 -1.984 7.052 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.679 5.868 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.446 8.276 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.031 7.723 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.295 8.067 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.858 6.385 -9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.330 6.744 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.216 5.360 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.587 6.313 -6.663 1.00 0.00 H new ATOM 711 N LYS A 45 1.424 7.247 -7.790 1.00 0.00 N ATOM 712 CA LYS A 45 2.597 8.049 -8.103 1.00 0.00 C ATOM 713 C LYS A 45 2.526 8.450 -9.573 1.00 0.00 C ATOM 714 O LYS A 45 2.142 7.646 -10.425 1.00 0.00 O ATOM 715 CB LYS A 45 3.870 7.250 -7.790 1.00 0.00 C ATOM 716 CG LYS A 45 4.028 7.042 -6.274 1.00 0.00 C ATOM 717 CD LYS A 45 5.250 6.174 -5.961 1.00 0.00 C ATOM 718 CE LYS A 45 5.407 5.903 -4.458 1.00 0.00 C ATOM 719 NZ LYS A 45 5.974 7.054 -3.712 1.00 0.00 N ATOM 0 H LYS A 45 1.607 6.244 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 45 2.623 8.953 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.830 6.283 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.740 7.777 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.128 8.008 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.131 6.570 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.164 5.226 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.148 6.667 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.434 5.650 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.051 5.035 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.914 6.869 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.970 7.186 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.436 7.914 -3.940 1.00 0.00 H new ATOM 733 N VAL A 46 2.926 9.678 -9.882 1.00 0.00 N ATOM 734 CA VAL A 46 2.760 10.284 -11.197 1.00 0.00 C ATOM 735 C VAL A 46 4.099 10.885 -11.624 1.00 0.00 C ATOM 736 O VAL A 46 4.664 11.705 -10.890 1.00 0.00 O ATOM 737 CB VAL A 46 1.630 11.329 -11.142 1.00 0.00 C ATOM 738 CG1 VAL A 46 1.298 11.868 -12.536 1.00 0.00 C ATOM 739 CG2 VAL A 46 0.327 10.791 -10.525 1.00 0.00 C ATOM 0 H VAL A 46 3.385 10.293 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 46 2.470 9.543 -11.942 1.00 0.00 H new ATOM 0 HB VAL A 46 2.017 12.122 -10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.497 12.603 -12.461 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.183 12.339 -12.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.978 11.047 -13.177 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.425 11.580 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.035 9.950 -11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.517 10.462 -9.503 1.00 0.00 H new ATOM 749 N TYR A 47 4.587 10.516 -12.811 1.00 0.00 N ATOM 750 CA TYR A 47 5.793 11.052 -13.427 1.00 0.00 C ATOM 751 C TYR A 47 5.523 11.331 -14.915 1.00 0.00 C ATOM 752 O TYR A 47 4.485 10.948 -15.460 1.00 0.00 O ATOM 753 CB TYR A 47 7.000 10.107 -13.232 1.00 0.00 C ATOM 754 CG TYR A 47 7.137 9.051 -14.314 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.292 7.928 -14.320 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.031 9.256 -15.384 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.338 7.020 -15.391 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.059 8.367 -16.470 1.00 0.00 C ATOM 759 CZ TYR A 47 7.225 7.233 -16.471 1.00 0.00 C ATOM 760 OH TYR A 47 7.296 6.354 -17.512 1.00 0.00 O ATOM 0 H TYR A 47 4.132 9.808 -13.388 1.00 0.00 H new ATOM 0 HA TYR A 47 6.054 11.989 -12.936 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.913 10.702 -13.201 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.909 9.612 -12.265 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.607 7.763 -13.501 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.700 10.104 -15.368 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.692 6.154 -15.389 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.720 8.553 -17.304 1.00 0.00 H new ATOM 0 HH TYR A 47 6.665 5.619 -17.363 1.00 0.00 H new ATOM 770 N CYS A 48 6.455 12.020 -15.573 1.00 0.00 N ATOM 771 CA CYS A 48 6.492 12.193 -17.017 1.00 0.00 C ATOM 772 C CYS A 48 7.959 12.336 -17.424 1.00 0.00 C ATOM 773 O CYS A 48 8.844 12.381 -16.566 1.00 0.00 O ATOM 774 CB CYS A 48 5.659 13.420 -17.432 1.00 0.00 C ATOM 775 SG CYS A 48 6.434 14.968 -16.880 1.00 0.00 S ATOM 0 H CYS A 48 7.227 12.486 -15.097 1.00 0.00 H new ATOM 0 HA CYS A 48 6.054 11.334 -17.526 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.546 13.435 -18.516 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.658 13.342 -17.008 1.00 0.00 H new ATOM 0 HG CYS A 48 6.317 15.868 -17.811 1.00 0.00 H new ATOM 781 N ASN A 49 8.241 12.475 -18.718 1.00 0.00 N ATOM 782 CA ASN A 49 9.619 12.599 -19.197 1.00 0.00 C ATOM 783 C ASN A 49 10.339 13.863 -18.696 1.00 0.00 C ATOM 784 O ASN A 49 11.568 13.871 -18.652 1.00 0.00 O ATOM 785 CB ASN A 49 9.648 12.582 -20.732 1.00 0.00 C ATOM 786 CG ASN A 49 11.019 12.146 -21.239 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.816 12.957 -21.701 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.311 10.857 -21.171 1.00 0.00 N ATOM 0 H ASN A 49 7.535 12.505 -19.454 1.00 0.00 H new ATOM 0 HA ASN A 49 10.155 11.743 -18.788 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.883 11.903 -21.108 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.411 13.574 -21.116 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.213 10.520 -21.506 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.634 10.200 -20.783 1.00 0.00 H new ATOM 795 N ALA A 50 9.597 14.918 -18.319 1.00 0.00 N ATOM 796 CA ALA A 50 10.149 16.254 -18.070 1.00 0.00 C ATOM 797 C ALA A 50 10.018 16.751 -16.619 1.00 0.00 C ATOM 798 O ALA A 50 10.575 17.802 -16.298 1.00 0.00 O ATOM 799 CB ALA A 50 9.489 17.238 -19.046 1.00 0.00 C ATOM 0 H ALA A 50 8.588 14.863 -18.178 1.00 0.00 H new ATOM 0 HA ALA A 50 11.224 16.190 -18.235 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.886 18.239 -18.877 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.701 16.931 -20.070 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.411 17.243 -18.884 1.00 0.00 H new ATOM 805 N GLY A 51 9.314 16.034 -15.734 1.00 0.00 N ATOM 806 CA GLY A 51 9.234 16.376 -14.312 1.00 0.00 C ATOM 807 C GLY A 51 8.540 17.709 -14.014 1.00 0.00 C ATOM 808 O GLY A 51 8.872 18.359 -13.021 1.00 0.00 O ATOM 0 H GLY A 51 8.784 15.200 -15.986 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.703 15.580 -13.790 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.244 16.408 -13.902 1.00 0.00 H new ATOM 812 N ARG A 52 7.583 18.121 -14.854 1.00 0.00 N ATOM 813 CA ARG A 52 6.708 19.272 -14.588 1.00 0.00 C ATOM 814 C ARG A 52 5.279 18.943 -14.969 1.00 0.00 C ATOM 815 O ARG A 52 4.368 19.238 -14.196 1.00 0.00 O ATOM 816 CB ARG A 52 7.196 20.532 -15.341 1.00 0.00 C ATOM 817 CG ARG A 52 6.185 21.701 -15.312 1.00 0.00 C ATOM 818 CD ARG A 52 5.925 22.220 -13.887 1.00 0.00 C ATOM 819 NE ARG A 52 4.753 23.115 -13.810 1.00 0.00 N ATOM 820 CZ ARG A 52 3.582 22.833 -13.217 1.00 0.00 C ATOM 821 NH1 ARG A 52 3.283 21.611 -12.795 1.00 0.00 N ATOM 822 NH2 ARG A 52 2.661 23.768 -13.032 1.00 0.00 N ATOM 0 H ARG A 52 7.392 17.662 -15.745 1.00 0.00 H new ATOM 0 HA ARG A 52 6.746 19.488 -13.520 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.137 20.865 -14.903 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.403 20.268 -16.378 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.560 22.517 -15.930 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.244 21.374 -15.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.774 21.373 -13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.807 22.753 -13.532 1.00 0.00 H new ATOM 0 HE ARG A 52 4.841 24.032 -14.248 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.952 20.851 -12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.384 21.431 -12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.835 24.724 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.778 23.532 -12.579 1.00 0.00 H new ATOM 836 N GLN A 53 5.072 18.345 -16.142 1.00 0.00 N ATOM 837 CA GLN A 53 3.735 17.988 -16.605 1.00 0.00 C ATOM 838 C GLN A 53 3.133 16.884 -15.721 1.00 0.00 C ATOM 839 O GLN A 53 1.917 16.779 -15.602 1.00 0.00 O ATOM 840 CB GLN A 53 3.763 17.625 -18.097 1.00 0.00 C ATOM 841 CG GLN A 53 4.377 18.742 -18.960 1.00 0.00 C ATOM 842 CD GLN A 53 4.245 18.448 -20.451 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.170 17.934 -21.078 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.107 18.756 -21.050 1.00 0.00 N ATOM 0 H GLN A 53 5.819 18.097 -16.791 1.00 0.00 H new ATOM 0 HA GLN A 53 3.076 18.851 -16.509 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.335 16.707 -18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.748 17.422 -18.438 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.886 19.688 -18.732 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.430 18.860 -18.705 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.349 19.182 -20.517 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.987 18.568 -22.045 1.00 0.00 H new ATOM 853 N SER A 54 3.962 16.108 -15.022 1.00 0.00 N ATOM 854 CA SER A 54 3.529 15.199 -13.975 1.00 0.00 C ATOM 855 C SER A 54 2.922 15.967 -12.801 1.00 0.00 C ATOM 856 O SER A 54 1.858 15.603 -12.303 1.00 0.00 O ATOM 857 CB SER A 54 4.745 14.374 -13.584 1.00 0.00 C ATOM 858 OG SER A 54 5.896 15.188 -13.390 1.00 0.00 O ATOM 0 H SER A 54 4.970 16.098 -15.175 1.00 0.00 H new ATOM 0 HA SER A 54 2.736 14.536 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.531 13.823 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.948 13.636 -14.360 1.00 0.00 H new ATOM 0 HG SER A 54 6.659 14.623 -13.147 1.00 0.00 H new ATOM 864 N GLY A 55 3.550 17.080 -12.416 1.00 0.00 N ATOM 865 CA GLY A 55 2.988 18.038 -11.480 1.00 0.00 C ATOM 866 C GLY A 55 1.661 18.585 -12.001 1.00 0.00 C ATOM 867 O GLY A 55 0.697 18.631 -11.246 1.00 0.00 O ATOM 0 H GLY A 55 4.477 17.339 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.836 17.562 -10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.690 18.858 -11.325 1.00 0.00 H new ATOM 871 N GLN A 56 1.558 18.926 -13.291 1.00 0.00 N ATOM 872 CA GLN A 56 0.303 19.422 -13.863 1.00 0.00 C ATOM 873 C GLN A 56 -0.798 18.361 -13.793 1.00 0.00 C ATOM 874 O GLN A 56 -1.939 18.688 -13.475 1.00 0.00 O ATOM 875 CB GLN A 56 0.474 19.855 -15.320 1.00 0.00 C ATOM 876 CG GLN A 56 1.426 21.032 -15.540 1.00 0.00 C ATOM 877 CD GLN A 56 1.461 21.486 -17.003 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.529 20.678 -17.925 1.00 0.00 O ATOM 879 NE2 GLN A 56 1.422 22.785 -17.254 1.00 0.00 N ATOM 0 H GLN A 56 2.328 18.867 -13.957 1.00 0.00 H new ATOM 0 HA GLN A 56 0.015 20.287 -13.266 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.835 19.003 -15.896 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.504 20.119 -15.721 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.119 21.867 -14.910 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.430 20.748 -15.226 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.365 23.452 -16.484 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.448 23.119 -18.217 1.00 0.00 H new ATOM 888 N ALA A 57 -0.485 17.087 -14.049 1.00 0.00 N ATOM 889 CA ALA A 57 -1.461 16.017 -13.878 1.00 0.00 C ATOM 890 C ALA A 57 -1.863 15.883 -12.411 1.00 0.00 C ATOM 891 O ALA A 57 -3.017 15.586 -12.117 1.00 0.00 O ATOM 892 CB ALA A 57 -0.914 14.695 -14.406 1.00 0.00 C ATOM 0 H ALA A 57 0.431 16.777 -14.373 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.349 16.274 -14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.659 13.912 -14.268 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.684 14.794 -15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.007 14.433 -13.861 1.00 0.00 H new ATOM 898 N LYS A 58 -0.943 16.139 -11.480 1.00 0.00 N ATOM 899 CA LYS A 58 -1.290 16.140 -10.059 1.00 0.00 C ATOM 900 C LYS A 58 -2.211 17.322 -9.760 1.00 0.00 C ATOM 901 O LYS A 58 -3.165 17.155 -9.005 1.00 0.00 O ATOM 902 CB LYS A 58 -0.026 16.083 -9.178 1.00 0.00 C ATOM 903 CG LYS A 58 -0.336 15.877 -7.683 1.00 0.00 C ATOM 904 CD LYS A 58 -0.533 17.197 -6.917 1.00 0.00 C ATOM 905 CE LYS A 58 -1.150 16.930 -5.538 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.661 18.176 -4.915 1.00 0.00 N ATOM 0 H LYS A 58 0.036 16.346 -11.680 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.847 15.237 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.614 15.272 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.537 17.008 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.236 15.270 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.478 15.316 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.425 17.704 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.179 17.863 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.964 16.212 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.403 16.477 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.024 17.965 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.890 18.871 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.427 18.567 -5.499 1.00 0.00 H new ATOM 920 N GLU A 59 -1.980 18.496 -10.348 1.00 0.00 N ATOM 921 CA GLU A 59 -2.857 19.655 -10.201 1.00 0.00 C ATOM 922 C GLU A 59 -4.257 19.318 -10.741 1.00 0.00 C ATOM 923 O GLU A 59 -5.246 19.579 -10.059 1.00 0.00 O ATOM 924 CB GLU A 59 -2.254 20.890 -10.901 1.00 0.00 C ATOM 925 CG GLU A 59 -0.990 21.428 -10.207 1.00 0.00 C ATOM 926 CD GLU A 59 -0.259 22.480 -11.063 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.699 23.653 -11.098 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.779 22.156 -11.687 1.00 0.00 O ATOM 0 H GLU A 59 -1.171 18.670 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.952 19.902 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.012 20.632 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.004 21.680 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.264 21.869 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.313 20.600 -9.996 1.00 0.00 H new ATOM 935 N ILE A 60 -4.354 18.661 -11.904 1.00 0.00 N ATOM 936 CA ILE A 60 -5.616 18.164 -12.460 1.00 0.00 C ATOM 937 C ILE A 60 -6.296 17.236 -11.448 1.00 0.00 C ATOM 938 O ILE A 60 -7.476 17.403 -11.143 1.00 0.00 O ATOM 939 CB ILE A 60 -5.351 17.463 -13.818 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.063 18.507 -14.917 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.514 16.554 -14.252 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.514 17.889 -16.211 1.00 0.00 C ATOM 0 H ILE A 60 -3.546 18.458 -12.492 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.296 18.995 -12.650 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.477 16.828 -13.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.981 19.050 -15.142 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.347 19.236 -14.538 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.275 16.089 -15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.670 15.780 -13.501 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.422 17.149 -14.354 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.333 18.677 -16.942 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.580 17.370 -15.998 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.239 17.181 -16.612 1.00 0.00 H new ATOM 954 N LEU A 61 -5.571 16.254 -10.911 1.00 0.00 N ATOM 955 CA LEU A 61 -6.154 15.287 -9.986 1.00 0.00 C ATOM 956 C LEU A 61 -6.472 15.928 -8.629 1.00 0.00 C ATOM 957 O LEU A 61 -7.324 15.418 -7.901 1.00 0.00 O ATOM 958 CB LEU A 61 -5.263 14.034 -9.887 1.00 0.00 C ATOM 959 CG LEU A 61 -5.193 13.237 -11.216 1.00 0.00 C ATOM 960 CD1 LEU A 61 -4.264 12.027 -11.083 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.567 12.759 -11.699 1.00 0.00 C ATOM 0 H LEU A 61 -4.580 16.109 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.115 14.954 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.256 14.332 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.644 13.384 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.798 13.931 -11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.233 11.486 -12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.260 12.365 -10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.636 11.367 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.453 12.208 -12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.011 12.109 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.215 13.620 -11.863 1.00 0.00 H new ATOM 973 N SER A 62 -5.878 17.078 -8.308 1.00 0.00 N ATOM 974 CA SER A 62 -6.275 17.871 -7.157 1.00 0.00 C ATOM 975 C SER A 62 -7.673 18.464 -7.381 1.00 0.00 C ATOM 976 O SER A 62 -8.476 18.463 -6.448 1.00 0.00 O ATOM 977 CB SER A 62 -5.224 18.943 -6.838 1.00 0.00 C ATOM 978 OG SER A 62 -3.933 18.362 -6.698 1.00 0.00 O ATOM 0 H SER A 62 -5.108 17.481 -8.842 1.00 0.00 H new ATOM 0 HA SER A 62 -6.332 17.225 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.207 19.689 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.495 19.462 -5.919 1.00 0.00 H new ATOM 0 HG SER A 62 -3.662 17.958 -7.549 1.00 0.00 H new ATOM 984 N GLU A 63 -8.024 18.873 -8.611 1.00 0.00 N ATOM 985 CA GLU A 63 -9.395 19.283 -8.941 1.00 0.00 C ATOM 986 C GLU A 63 -10.355 18.098 -8.767 1.00 0.00 C ATOM 987 O GLU A 63 -11.483 18.273 -8.306 1.00 0.00 O ATOM 988 CB GLU A 63 -9.531 19.815 -10.381 1.00 0.00 C ATOM 989 CG GLU A 63 -8.529 20.908 -10.773 1.00 0.00 C ATOM 990 CD GLU A 63 -8.847 21.514 -12.154 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.066 20.760 -13.131 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.876 22.761 -12.274 1.00 0.00 O ATOM 0 H GLU A 63 -7.373 18.928 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.647 20.093 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.420 18.979 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.540 20.206 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.539 21.696 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.522 20.490 -10.783 1.00 0.00 H new ATOM 999 N MET A 64 -9.895 16.886 -9.105 1.00 0.00 N ATOM 1000 CA MET A 64 -10.662 15.648 -8.959 1.00 0.00 C ATOM 1001 C MET A 64 -10.791 15.197 -7.497 1.00 0.00 C ATOM 1002 O MET A 64 -11.455 14.191 -7.243 1.00 0.00 O ATOM 1003 CB MET A 64 -10.052 14.524 -9.819 1.00 0.00 C ATOM 1004 CG MET A 64 -10.079 14.835 -11.322 1.00 0.00 C ATOM 1005 SD MET A 64 -11.730 15.080 -12.040 1.00 0.00 S ATOM 1006 CE MET A 64 -12.409 13.404 -11.875 1.00 0.00 C ATOM 0 H MET A 64 -8.964 16.739 -9.494 1.00 0.00 H new ATOM 0 HA MET A 64 -11.670 15.862 -9.314 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.021 14.355 -9.507 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.597 13.598 -9.636 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.487 15.733 -11.500 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.588 14.019 -11.853 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.356 13.340 -12.412 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.706 12.684 -12.293 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.574 13.180 -10.821 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.197 15.902 -6.528 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.346 15.570 -5.118 1.00 0.00 C ATOM 1018 C GLY A 65 -9.522 14.341 -4.738 1.00 0.00 C ATOM 1019 O GLY A 65 -10.040 13.430 -4.088 1.00 0.00 O ATOM 0 H GLY A 65 -9.604 16.713 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.035 16.419 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.397 15.386 -4.896 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.258 14.297 -5.178 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.264 13.316 -4.745 1.00 0.00 C ATOM 1025 C TYR A 66 -7.228 13.119 -3.221 1.00 0.00 C ATOM 1026 O TYR A 66 -7.569 14.029 -2.458 1.00 0.00 O ATOM 1027 CB TYR A 66 -5.861 13.727 -5.232 1.00 0.00 C ATOM 1028 CG TYR A 66 -5.126 14.788 -4.413 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -5.737 16.014 -4.074 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -3.811 14.537 -3.969 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -5.044 16.982 -3.328 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -3.112 15.495 -3.217 1.00 0.00 C ATOM 1033 CZ TYR A 66 -3.724 16.727 -2.900 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.010 17.675 -2.230 1.00 0.00 O ATOM 0 H TYR A 66 -7.893 14.960 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.562 12.367 -5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.238 12.833 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.951 14.091 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.750 16.211 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.336 13.597 -4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.521 17.919 -3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.106 15.289 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.121 17.323 -2.014 1.00 0.00 H new ATOM 1044 N THR A 67 -6.702 11.971 -2.783 1.00 0.00 N ATOM 1045 CA THR A 67 -6.465 11.691 -1.368 1.00 0.00 C ATOM 1046 C THR A 67 -5.079 11.071 -1.122 1.00 0.00 C ATOM 1047 O THR A 67 -4.515 11.324 -0.055 1.00 0.00 O ATOM 1048 CB THR A 67 -7.629 10.861 -0.782 1.00 0.00 C ATOM 1049 OG1 THR A 67 -8.205 10.019 -1.764 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.752 11.761 -0.257 1.00 0.00 C ATOM 0 H THR A 67 -6.429 11.209 -3.404 1.00 0.00 H new ATOM 0 HA THR A 67 -6.447 12.637 -0.826 1.00 0.00 H new ATOM 0 HB THR A 67 -7.200 10.272 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.937 9.505 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.554 11.144 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.362 12.409 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.140 12.371 -1.072 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.464 10.363 -2.088 1.00 0.00 N ATOM 1059 CA HIS A 68 -3.058 9.948 -1.972 1.00 0.00 C ATOM 1060 C HIS A 68 -2.317 9.879 -3.318 1.00 0.00 C ATOM 1061 O HIS A 68 -1.309 9.184 -3.456 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.946 8.646 -1.151 1.00 0.00 C ATOM 1063 CG HIS A 68 -1.687 8.544 -0.322 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -0.792 7.495 -0.295 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.255 9.457 0.604 1.00 0.00 C ATOM 1066 CE1 HIS A 68 0.161 7.781 0.606 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -0.076 8.973 1.187 1.00 0.00 N ATOM 0 H HIS A 68 -4.918 10.069 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.537 10.734 -1.425 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.810 8.571 -0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.990 7.796 -1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.741 10.391 0.844 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.002 7.143 0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.487 9.430 1.904 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.800 10.626 -4.311 1.00 0.00 N ATOM 1076 CA VAL A 69 -2.062 10.842 -5.558 1.00 0.00 C ATOM 1077 C VAL A 69 -0.808 11.661 -5.202 1.00 0.00 C ATOM 1078 O VAL A 69 -0.869 12.529 -4.326 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.953 11.551 -6.604 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -2.240 11.737 -7.948 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.268 10.791 -6.869 1.00 0.00 C ATOM 0 H VAL A 69 -3.705 11.095 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.765 9.897 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.174 12.525 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.908 12.239 -8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.344 12.341 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.960 10.763 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.857 11.331 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.042 9.792 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.836 10.712 -5.942 1.00 0.00 H new ATOM 1091 N GLU A 70 0.320 11.413 -5.870 1.00 0.00 N ATOM 1092 CA GLU A 70 1.604 12.019 -5.547 1.00 0.00 C ATOM 1093 C GLU A 70 2.383 12.254 -6.841 1.00 0.00 C ATOM 1094 O GLU A 70 2.555 11.333 -7.638 1.00 0.00 O ATOM 1095 CB GLU A 70 2.356 11.066 -4.600 1.00 0.00 C ATOM 1096 CG GLU A 70 3.752 11.575 -4.217 1.00 0.00 C ATOM 1097 CD GLU A 70 4.409 10.664 -3.168 1.00 0.00 C ATOM 1098 OE1 GLU A 70 4.801 9.527 -3.512 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.555 11.087 -1.997 1.00 0.00 O ATOM 0 H GLU A 70 0.363 10.774 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 70 1.477 12.982 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.767 10.924 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.450 10.090 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.381 11.622 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.677 12.589 -3.825 1.00 0.00 H new ATOM 1106 N ASN A 71 2.878 13.474 -7.062 1.00 0.00 N ATOM 1107 CA ASN A 71 3.830 13.722 -8.140 1.00 0.00 C ATOM 1108 C ASN A 71 5.196 13.222 -7.671 1.00 0.00 C ATOM 1109 O ASN A 71 5.804 13.828 -6.787 1.00 0.00 O ATOM 1110 CB ASN A 71 3.889 15.210 -8.517 1.00 0.00 C ATOM 1111 CG ASN A 71 5.068 15.522 -9.440 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.756 16.521 -9.260 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.335 14.694 -10.440 1.00 0.00 N ATOM 0 H ASN A 71 2.636 14.298 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 71 3.516 13.192 -9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.959 15.497 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.969 15.810 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.117 14.886 -11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.758 13.865 -10.584 1.00 0.00 H new ATOM 1120 N ALA A 72 5.660 12.109 -8.242 1.00 0.00 N ATOM 1121 CA ALA A 72 6.947 11.521 -7.902 1.00 0.00 C ATOM 1122 C ALA A 72 8.101 12.391 -8.417 1.00 0.00 C ATOM 1123 O ALA A 72 9.089 12.565 -7.703 1.00 0.00 O ATOM 1124 CB ALA A 72 7.029 10.107 -8.483 1.00 0.00 C ATOM 0 H ALA A 72 5.148 11.591 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 72 7.037 11.467 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.992 9.665 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.228 9.496 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.925 10.152 -9.567 1.00 0.00 H new ATOM 1130 N GLY A 73 7.981 12.939 -9.632 1.00 0.00 N ATOM 1131 CA GLY A 73 9.022 13.737 -10.266 1.00 0.00 C ATOM 1132 C GLY A 73 8.935 13.598 -11.776 1.00 0.00 C ATOM 1133 O GLY A 73 7.834 13.570 -12.335 1.00 0.00 O ATOM 0 H GLY A 73 7.144 12.836 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.913 14.784 -9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.003 13.413 -9.918 1.00 0.00 H new ATOM 1137 N GLY A 74 10.093 13.494 -12.425 1.00 0.00 N ATOM 1138 CA GLY A 74 10.226 13.169 -13.838 1.00 0.00 C ATOM 1139 C GLY A 74 11.103 11.935 -13.991 1.00 0.00 C ATOM 1140 O GLY A 74 11.772 11.534 -13.040 1.00 0.00 O ATOM 0 H GLY A 74 10.991 13.639 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.244 12.988 -14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.664 14.009 -14.376 1.00 0.00 H new ATOM 1144 N LEU A 75 11.110 11.328 -15.179 1.00 0.00 N ATOM 1145 CA LEU A 75 11.695 10.004 -15.423 1.00 0.00 C ATOM 1146 C LEU A 75 13.131 9.862 -14.908 1.00 0.00 C ATOM 1147 O LEU A 75 13.484 8.815 -14.365 1.00 0.00 O ATOM 1148 CB LEU A 75 11.637 9.704 -16.935 1.00 0.00 C ATOM 1149 CG LEU A 75 12.220 8.334 -17.350 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.464 7.155 -16.725 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.180 8.199 -18.873 1.00 0.00 C ATOM 0 H LEU A 75 10.703 11.748 -16.014 1.00 0.00 H new ATOM 0 HA LEU A 75 11.105 9.280 -14.861 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.598 9.754 -17.261 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.176 10.488 -17.467 1.00 0.00 H new ATOM 0 HG LEU A 75 13.246 8.300 -16.984 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.917 6.219 -17.051 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.516 7.224 -15.638 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.421 7.183 -17.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.592 7.232 -19.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.149 8.273 -19.218 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.771 8.996 -19.325 1.00 0.00 H new ATOM 1163 N LYS A 76 13.959 10.898 -15.074 1.00 0.00 N ATOM 1164 CA LYS A 76 15.354 10.872 -14.633 1.00 0.00 C ATOM 1165 C LYS A 76 15.464 10.841 -13.106 1.00 0.00 C ATOM 1166 O LYS A 76 16.461 10.343 -12.582 1.00 0.00 O ATOM 1167 CB LYS A 76 16.112 12.088 -15.193 1.00 0.00 C ATOM 1168 CG LYS A 76 16.194 12.076 -16.729 1.00 0.00 C ATOM 1169 CD LYS A 76 17.000 13.274 -17.248 1.00 0.00 C ATOM 1170 CE LYS A 76 17.062 13.241 -18.782 1.00 0.00 C ATOM 1171 NZ LYS A 76 17.833 14.381 -19.337 1.00 0.00 N ATOM 0 H LYS A 76 13.681 11.774 -15.516 1.00 0.00 H new ATOM 0 HA LYS A 76 15.805 9.958 -15.018 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.617 13.002 -14.866 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.120 12.106 -14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.658 11.149 -17.064 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.189 12.100 -17.150 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.540 14.204 -16.914 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.008 13.251 -16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.517 12.305 -19.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.049 13.259 -19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.848 14.317 -20.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.385 15.275 -19.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.807 14.351 -18.974 1.00 0.00 H new ATOM 1185 N ASP A 77 14.476 11.385 -12.392 1.00 0.00 N ATOM 1186 CA ASP A 77 14.481 11.479 -10.938 1.00 0.00 C ATOM 1187 C ASP A 77 13.920 10.214 -10.289 1.00 0.00 C ATOM 1188 O ASP A 77 14.443 9.807 -9.250 1.00 0.00 O ATOM 1189 CB ASP A 77 13.674 12.696 -10.473 1.00 0.00 C ATOM 1190 CG ASP A 77 13.749 12.840 -8.943 1.00 0.00 C ATOM 1191 OD1 ASP A 77 14.804 13.271 -8.426 1.00 0.00 O ATOM 1192 OD2 ASP A 77 12.746 12.555 -8.254 1.00 0.00 O ATOM 0 H ASP A 77 13.637 11.778 -12.819 1.00 0.00 H new ATOM 0 HA ASP A 77 15.519 11.592 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.059 13.598 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.635 12.591 -10.784 1.00 0.00 H new ATOM 1197 N ILE A 78 12.900 9.565 -10.878 1.00 0.00 N ATOM 1198 CA ILE A 78 12.397 8.294 -10.355 1.00 0.00 C ATOM 1199 C ILE A 78 13.538 7.269 -10.456 1.00 0.00 C ATOM 1200 O ILE A 78 14.002 6.954 -11.554 1.00 0.00 O ATOM 1201 CB ILE A 78 11.097 7.847 -11.079 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.856 8.668 -10.658 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.770 6.378 -10.753 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.810 10.085 -11.220 1.00 0.00 C ATOM 0 H ILE A 78 12.415 9.901 -11.710 1.00 0.00 H new ATOM 0 HA ILE A 78 12.104 8.395 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 78 11.296 7.998 -12.140 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.960 8.136 -10.977 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.825 8.722 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.856 6.085 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.592 5.741 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.630 6.266 -9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.906 10.585 -10.873 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.685 10.640 -10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.806 10.044 -12.309 1.00 0.00 H new ATOM 1216 N ALA A 79 13.966 6.709 -9.319 1.00 0.00 N ATOM 1217 CA ALA A 79 15.091 5.772 -9.238 1.00 0.00 C ATOM 1218 C ALA A 79 14.637 4.306 -9.271 1.00 0.00 C ATOM 1219 O ALA A 79 15.337 3.408 -8.796 1.00 0.00 O ATOM 1220 CB ALA A 79 15.935 6.105 -7.999 1.00 0.00 C ATOM 0 H ALA A 79 13.533 6.898 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 79 15.714 5.892 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.773 5.412 -7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.313 7.124 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.319 6.016 -7.104 1.00 0.00 H new ATOM 1226 N MET A 80 13.449 4.072 -9.822 1.00 0.00 N ATOM 1227 CA MET A 80 12.912 2.736 -10.074 1.00 0.00 C ATOM 1228 C MET A 80 13.507 2.183 -11.376 1.00 0.00 C ATOM 1229 O MET A 80 13.932 2.977 -12.228 1.00 0.00 O ATOM 1230 CB MET A 80 11.382 2.797 -10.212 1.00 0.00 C ATOM 1231 CG MET A 80 10.672 3.171 -8.908 1.00 0.00 C ATOM 1232 SD MET A 80 10.791 1.951 -7.568 1.00 0.00 S ATOM 1233 CE MET A 80 9.688 0.659 -8.206 1.00 0.00 C ATOM 0 H MET A 80 12.819 4.820 -10.112 1.00 0.00 H new ATOM 0 HA MET A 80 13.174 2.088 -9.238 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.122 3.524 -10.981 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.016 1.828 -10.552 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.081 4.116 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.618 3.342 -9.126 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.565 -0.119 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.716 1.094 -8.441 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.119 0.225 -9.108 1.00 0.00 H new ATOM 1243 N PRO A 81 13.505 0.847 -11.563 1.00 0.00 N ATOM 1244 CA PRO A 81 13.806 0.214 -12.842 1.00 0.00 C ATOM 1245 C PRO A 81 12.947 0.785 -13.974 1.00 0.00 C ATOM 1246 O PRO A 81 11.827 1.262 -13.749 1.00 0.00 O ATOM 1247 CB PRO A 81 13.527 -1.282 -12.646 1.00 0.00 C ATOM 1248 CG PRO A 81 13.707 -1.486 -11.146 1.00 0.00 C ATOM 1249 CD PRO A 81 13.199 -0.169 -10.564 1.00 0.00 C ATOM 0 HA PRO A 81 14.841 0.397 -13.131 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.520 -1.548 -12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.219 -1.898 -13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.133 -2.338 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.749 -1.669 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.128 -0.215 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.688 0.054 -9.616 1.00 0.00 H new ATOM 1257 N LYS A 82 13.446 0.693 -15.207 1.00 0.00 N ATOM 1258 CA LYS A 82 12.788 1.202 -16.400 1.00 0.00 C ATOM 1259 C LYS A 82 12.882 0.118 -17.464 1.00 0.00 C ATOM 1260 O LYS A 82 13.803 -0.705 -17.429 1.00 0.00 O ATOM 1261 CB LYS A 82 13.471 2.505 -16.863 1.00 0.00 C ATOM 1262 CG LYS A 82 13.343 3.634 -15.827 1.00 0.00 C ATOM 1263 CD LYS A 82 14.303 4.797 -16.112 1.00 0.00 C ATOM 1264 CE LYS A 82 14.246 5.841 -14.984 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.818 5.353 -13.703 1.00 0.00 N ATOM 0 H LYS A 82 14.343 0.250 -15.404 1.00 0.00 H new ATOM 0 HA LYS A 82 11.742 1.440 -16.204 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.526 2.310 -17.056 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.029 2.829 -17.805 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.318 4.005 -15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.543 3.236 -14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.320 4.419 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.042 5.266 -17.061 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.785 6.735 -15.298 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.209 6.135 -14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.674 6.069 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.345 4.469 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.836 5.178 -13.822 1.00 0.00 H new ATOM 1279 N VAL A 83 11.949 0.119 -18.408 1.00 0.00 N ATOM 1280 CA VAL A 83 11.846 -0.891 -19.454 1.00 0.00 C ATOM 1281 C VAL A 83 11.716 -0.132 -20.773 1.00 0.00 C ATOM 1282 O VAL A 83 11.080 0.923 -20.818 1.00 0.00 O ATOM 1283 CB VAL A 83 10.651 -1.830 -19.164 1.00 0.00 C ATOM 1284 CG1 VAL A 83 10.587 -2.997 -20.161 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.715 -2.434 -17.748 1.00 0.00 C ATOM 0 H VAL A 83 11.227 0.837 -18.469 1.00 0.00 H new ATOM 0 HA VAL A 83 12.721 -1.539 -19.500 1.00 0.00 H new ATOM 0 HB VAL A 83 9.764 -1.204 -19.259 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.734 -3.633 -19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.477 -2.606 -21.172 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.505 -3.582 -20.096 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.855 -3.086 -17.591 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.633 -3.012 -17.640 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.702 -1.632 -17.010 1.00 0.00 H new ATOM 1295 N LYS A 84 12.364 -0.632 -21.831 1.00 0.00 N ATOM 1296 CA LYS A 84 12.309 -0.026 -23.160 1.00 0.00 C ATOM 1297 C LYS A 84 10.894 -0.137 -23.736 1.00 0.00 C ATOM 1298 O LYS A 84 10.102 -0.978 -23.298 1.00 0.00 O ATOM 1299 CB LYS A 84 13.321 -0.704 -24.105 1.00 0.00 C ATOM 1300 CG LYS A 84 14.796 -0.633 -23.665 1.00 0.00 C ATOM 1301 CD LYS A 84 15.310 0.806 -23.516 1.00 0.00 C ATOM 1302 CE LYS A 84 16.813 0.825 -23.208 1.00 0.00 C ATOM 1303 NZ LYS A 84 17.342 2.207 -23.111 1.00 0.00 N ATOM 0 H LYS A 84 12.942 -1.471 -21.786 1.00 0.00 H new ATOM 0 HA LYS A 84 12.570 1.028 -23.069 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.043 -1.752 -24.213 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.232 -0.247 -25.091 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.911 -1.154 -22.715 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.412 -1.159 -24.394 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.116 1.362 -24.433 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.765 1.309 -22.717 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.998 0.299 -22.271 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.350 0.285 -23.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.360 2.175 -22.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.189 2.701 -24.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.848 2.715 -22.350 1.00 0.00 H new ATOM 1317 N GLY A 85 10.595 0.693 -24.738 1.00 0.00 N ATOM 1318 CA GLY A 85 9.387 0.572 -25.544 1.00 0.00 C ATOM 1319 C GLY A 85 9.228 -0.847 -26.083 1.00 0.00 C ATOM 1320 O GLY A 85 10.226 -1.417 -26.574 1.00 0.00 O ATOM 1321 OXT GLY A 85 8.097 -1.372 -26.047 1.00 0.00 O ATOM 0 H GLY A 85 11.192 1.473 -25.012 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.517 0.836 -24.943 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.427 1.278 -26.374 1.00 0.00 H new