USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 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= 0.0021 USER MOD Set 1.2: A 68 HIS : no HD1:sc=-0.00403 X(o=-0.0019,f=0.0021) USER MOD Set 2.1: A 48 CYS SG : rot -69:sc= 0.88 USER MOD Set 2.2: A 54 SER OG : rot 177:sc= 1.78 USER MOD Set 3.1: A 12 GLN : amide:sc= 0.706 K(o=1.6,f=-1.2) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.859 K(o=1.6,f=-0.52) USER MOD Single : A 1 ALA N :NH3+ -140:sc= 1.13 (180deg=0.209) USER MOD Single : A 3 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0081) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.75 K(o=1.8,f=-0.071) USER MOD Single : A 15 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.833 K(o=0.83,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.58) USER MOD Single : A 23 ASN : amide:sc= 1.37 K(o=1.4,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.18) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 84:sc= 0.664 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.326 USER MOD Single : A 53 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.0285 X(o=0.029,f=-0.19) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.824 (180deg=0.813) USER MOD Single : A 62 SER OG : rot 80:sc= 1.32 USER MOD Single : A 64 MET CE :methyl -163:sc=-0.00419 (180deg=-0.24) USER MOD Single : A 66 TYR OH : rot -162:sc= 1.24 USER MOD Single : A 71 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.1) USER MOD Single : A 80 MET CE :methyl 169:sc=-0.00258 (180deg=-0.17) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 2.33 (180deg=2.22) USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 1.87 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.856 -0.234 1.539 1.00 0.00 N ATOM 2 CA ALA A 1 1.374 -0.111 0.146 1.00 0.00 C ATOM 3 C ALA A 1 1.909 -1.285 -0.674 1.00 0.00 C ATOM 4 O ALA A 1 2.878 -1.123 -1.419 1.00 0.00 O ATOM 5 CB ALA A 1 1.754 1.257 -0.458 1.00 0.00 C ATOM 0 H1 ALA A 1 1.094 0.033 2.195 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.142 -1.217 1.722 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.671 0.396 1.681 1.00 0.00 H new ATOM 0 HA ALA A 1 0.285 -0.153 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.386 1.317 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.306 2.054 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.838 1.368 -0.455 1.00 0.00 H new ATOM 13 N GLU A 2 1.316 -2.480 -0.544 1.00 0.00 N ATOM 14 CA GLU A 2 1.783 -3.685 -1.219 1.00 0.00 C ATOM 15 C GLU A 2 0.697 -4.761 -1.280 1.00 0.00 C ATOM 16 O GLU A 2 -0.216 -4.777 -0.450 1.00 0.00 O ATOM 17 CB GLU A 2 3.072 -4.226 -0.558 1.00 0.00 C ATOM 18 CG GLU A 2 2.947 -4.951 0.788 1.00 0.00 C ATOM 19 CD GLU A 2 2.322 -4.121 1.931 1.00 0.00 C ATOM 20 OE1 GLU A 2 2.648 -2.921 2.091 1.00 0.00 O ATOM 21 OE2 GLU A 2 1.524 -4.684 2.715 1.00 0.00 O ATOM 0 H GLU A 2 0.493 -2.632 0.039 1.00 0.00 H new ATOM 0 HA GLU A 2 2.021 -3.411 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.545 -4.910 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.754 -3.387 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.347 -5.849 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.939 -5.278 1.099 1.00 0.00 H new ATOM 28 N HIS A 3 0.856 -5.687 -2.228 1.00 0.00 N ATOM 29 CA HIS A 3 0.083 -6.910 -2.399 1.00 0.00 C ATOM 30 C HIS A 3 1.054 -8.013 -2.825 1.00 0.00 C ATOM 31 O HIS A 3 2.119 -7.716 -3.376 1.00 0.00 O ATOM 32 CB HIS A 3 -0.977 -6.733 -3.501 1.00 0.00 C ATOM 33 CG HIS A 3 -1.891 -5.546 -3.320 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.833 -5.374 -2.330 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.932 -4.433 -4.116 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.421 -4.181 -2.521 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.909 -3.568 -3.604 1.00 0.00 N ATOM 0 H HIS A 3 1.578 -5.592 -2.942 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.424 -7.158 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.469 -6.639 -4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.585 -7.637 -3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.319 -4.253 -4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.197 -3.771 -1.892 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.178 -2.658 -3.977 1.00 0.00 H new ATOM 45 N TRP A 4 0.658 -9.274 -2.652 1.00 0.00 N ATOM 46 CA TRP A 4 1.390 -10.433 -3.144 1.00 0.00 C ATOM 47 C TRP A 4 0.502 -11.113 -4.179 1.00 0.00 C ATOM 48 O TRP A 4 -0.645 -11.447 -3.865 1.00 0.00 O ATOM 49 CB TRP A 4 1.665 -11.415 -1.997 1.00 0.00 C ATOM 50 CG TRP A 4 2.702 -11.034 -0.988 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.510 -10.239 0.089 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.088 -11.485 -0.905 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.672 -10.166 0.829 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.683 -10.912 0.259 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.902 -12.327 -1.694 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.023 -11.143 0.604 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.242 -12.580 -1.347 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.805 -11.986 -0.204 1.00 0.00 C ATOM 0 H TRP A 4 -0.198 -9.520 -2.155 1.00 0.00 H new ATOM 0 HA TRP A 4 2.345 -10.127 -3.572 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.727 -11.583 -1.467 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.958 -12.369 -2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.586 -9.737 0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.771 -9.628 1.690 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.488 -12.785 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.449 -10.678 1.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.842 -13.234 -1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.836 -12.177 0.053 1.00 0.00 H new ATOM 69 N ILE A 5 1.023 -11.336 -5.385 1.00 0.00 N ATOM 70 CA ILE A 5 0.269 -11.884 -6.503 1.00 0.00 C ATOM 71 C ILE A 5 1.055 -13.088 -7.016 1.00 0.00 C ATOM 72 O ILE A 5 2.125 -12.964 -7.615 1.00 0.00 O ATOM 73 CB ILE A 5 0.004 -10.817 -7.591 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.718 -9.548 -7.070 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.799 -11.430 -8.753 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.137 -9.738 -6.525 1.00 0.00 C ATOM 0 H ILE A 5 1.997 -11.136 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.725 -12.204 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 5 0.986 -10.493 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.107 -9.108 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.760 -8.823 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.979 -10.669 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.234 -12.253 -9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.753 -11.803 -8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.531 -8.777 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.777 -10.141 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.114 -10.431 -5.684 1.00 0.00 H new ATOM 88 N ASP A 6 0.519 -14.266 -6.734 1.00 0.00 N ATOM 89 CA ASP A 6 0.986 -15.532 -7.261 1.00 0.00 C ATOM 90 C ASP A 6 0.601 -15.605 -8.739 1.00 0.00 C ATOM 91 O ASP A 6 -0.584 -15.722 -9.063 1.00 0.00 O ATOM 92 CB ASP A 6 0.320 -16.650 -6.462 1.00 0.00 C ATOM 93 CG ASP A 6 0.742 -18.034 -6.921 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.924 -18.265 -7.242 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.122 -18.936 -6.897 1.00 0.00 O ATOM 0 H ASP A 6 -0.281 -14.366 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 6 2.068 -15.633 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.566 -16.532 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.763 -16.558 -6.550 1.00 0.00 H new ATOM 100 N VAL A 7 1.580 -15.492 -9.637 1.00 0.00 N ATOM 101 CA VAL A 7 1.377 -15.523 -11.090 1.00 0.00 C ATOM 102 C VAL A 7 1.509 -16.940 -11.660 1.00 0.00 C ATOM 103 O VAL A 7 1.367 -17.157 -12.866 1.00 0.00 O ATOM 104 CB VAL A 7 2.307 -14.511 -11.788 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.890 -13.078 -11.423 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.792 -14.724 -11.452 1.00 0.00 C ATOM 0 H VAL A 7 2.558 -15.374 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 7 0.351 -15.217 -11.295 1.00 0.00 H new ATOM 0 HB VAL A 7 2.199 -14.673 -12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.552 -12.369 -11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.864 -12.904 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.958 -12.943 -10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.394 -13.980 -11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.940 -14.621 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.097 -15.722 -11.766 1.00 0.00 H new ATOM 116 N ARG A 8 1.800 -17.907 -10.792 1.00 0.00 N ATOM 117 CA ARG A 8 1.862 -19.336 -11.069 1.00 0.00 C ATOM 118 C ARG A 8 0.504 -19.856 -11.535 1.00 0.00 C ATOM 119 O ARG A 8 -0.531 -19.228 -11.289 1.00 0.00 O ATOM 120 CB ARG A 8 2.204 -19.968 -9.723 1.00 0.00 C ATOM 121 CG ARG A 8 2.697 -21.416 -9.661 1.00 0.00 C ATOM 122 CD ARG A 8 3.070 -21.826 -8.222 1.00 0.00 C ATOM 123 NE ARG A 8 2.270 -21.137 -7.197 1.00 0.00 N ATOM 124 CZ ARG A 8 1.789 -21.640 -6.064 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.097 -22.861 -5.640 1.00 0.00 N ATOM 126 NH2 ARG A 8 0.981 -20.890 -5.343 1.00 0.00 N ATOM 0 H ARG A 8 2.012 -17.698 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 8 2.584 -19.567 -11.852 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.968 -19.345 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.313 -19.902 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.922 -22.082 -10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.565 -21.534 -10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.939 -22.903 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.126 -21.614 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 8 2.059 -20.155 -7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.724 -23.449 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.707 -23.210 -4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.740 -19.950 -5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.596 -21.249 -4.469 1.00 0.00 H new ATOM 140 N VAL A 9 0.499 -21.047 -12.131 1.00 0.00 N ATOM 141 CA VAL A 9 -0.740 -21.740 -12.450 1.00 0.00 C ATOM 142 C VAL A 9 -1.546 -22.025 -11.168 1.00 0.00 C ATOM 143 O VAL A 9 -0.962 -22.358 -10.129 1.00 0.00 O ATOM 144 CB VAL A 9 -0.463 -23.011 -13.285 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.101 -22.637 -14.664 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.495 -24.006 -12.604 1.00 0.00 C ATOM 0 H VAL A 9 1.344 -21.550 -12.402 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.358 -21.093 -13.072 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.427 -23.510 -13.386 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.290 -23.544 -15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.619 -22.015 -15.195 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.033 -22.086 -14.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.640 -24.872 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.455 -23.522 -12.424 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.069 -24.330 -11.655 1.00 0.00 H new ATOM 156 N PRO A 10 -2.888 -21.946 -11.220 1.00 0.00 N ATOM 157 CA PRO A 10 -3.733 -22.115 -10.042 1.00 0.00 C ATOM 158 C PRO A 10 -3.752 -23.571 -9.548 1.00 0.00 C ATOM 159 O PRO A 10 -4.054 -23.828 -8.383 1.00 0.00 O ATOM 160 CB PRO A 10 -5.113 -21.622 -10.480 1.00 0.00 C ATOM 161 CG PRO A 10 -5.148 -21.938 -11.972 1.00 0.00 C ATOM 162 CD PRO A 10 -3.708 -21.658 -12.393 1.00 0.00 C ATOM 0 HA PRO A 10 -3.361 -21.551 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.911 -22.134 -9.943 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.236 -20.555 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.434 -22.972 -12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.859 -21.307 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.418 -22.285 -13.236 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.587 -20.622 -12.710 1.00 0.00 H new ATOM 170 N GLU A 11 -3.365 -24.523 -10.403 1.00 0.00 N ATOM 171 CA GLU A 11 -3.248 -25.938 -10.060 1.00 0.00 C ATOM 172 C GLU A 11 -2.223 -26.170 -8.933 1.00 0.00 C ATOM 173 O GLU A 11 -2.308 -27.177 -8.227 1.00 0.00 O ATOM 174 CB GLU A 11 -2.877 -26.728 -11.329 1.00 0.00 C ATOM 175 CG GLU A 11 -3.285 -28.210 -11.285 1.00 0.00 C ATOM 176 CD GLU A 11 -4.796 -28.416 -11.518 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.231 -28.469 -12.691 1.00 0.00 O ATOM 178 OE2 GLU A 11 -5.558 -28.552 -10.534 1.00 0.00 O ATOM 0 H GLU A 11 -3.120 -24.324 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.206 -26.292 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.351 -26.257 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.800 -26.663 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.726 -28.760 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.010 -28.630 -10.318 1.00 0.00 H new ATOM 185 N GLN A 12 -1.275 -25.245 -8.724 1.00 0.00 N ATOM 186 CA GLN A 12 -0.318 -25.314 -7.620 1.00 0.00 C ATOM 187 C GLN A 12 -0.740 -24.418 -6.448 1.00 0.00 C ATOM 188 O GLN A 12 -0.395 -24.720 -5.306 1.00 0.00 O ATOM 189 CB GLN A 12 1.081 -24.931 -8.117 1.00 0.00 C ATOM 190 CG GLN A 12 1.683 -25.917 -9.130 1.00 0.00 C ATOM 191 CD GLN A 12 3.110 -25.523 -9.531 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.928 -25.122 -8.703 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.447 -25.609 -10.807 1.00 0.00 N ATOM 0 H GLN A 12 -1.153 -24.427 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.298 -26.340 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.034 -23.942 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.750 -24.855 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.690 -26.919 -8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.053 -25.955 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.769 -25.941 -11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.385 -25.343 -11.106 1.00 0.00 H new ATOM 202 N TYR A 13 -1.510 -23.351 -6.686 1.00 0.00 N ATOM 203 CA TYR A 13 -2.039 -22.479 -5.630 1.00 0.00 C ATOM 204 C TYR A 13 -2.802 -23.266 -4.564 1.00 0.00 C ATOM 205 O TYR A 13 -2.598 -23.043 -3.370 1.00 0.00 O ATOM 206 CB TYR A 13 -2.921 -21.389 -6.251 1.00 0.00 C ATOM 207 CG TYR A 13 -3.565 -20.448 -5.249 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.796 -19.451 -4.622 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.941 -20.550 -4.965 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.400 -18.532 -3.745 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.550 -19.647 -4.075 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.782 -18.627 -3.465 1.00 0.00 C ATOM 213 OH TYR A 13 -5.364 -17.723 -2.628 1.00 0.00 O ATOM 0 H TYR A 13 -1.786 -23.065 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.195 -22.009 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.317 -20.803 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.706 -21.866 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.735 -19.391 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.531 -21.325 -5.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.808 -17.754 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.604 -19.732 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.319 -17.926 -2.540 1.00 0.00 H new ATOM 223 N GLN A 14 -3.626 -24.232 -4.981 1.00 0.00 N ATOM 224 CA GLN A 14 -4.373 -25.089 -4.061 1.00 0.00 C ATOM 225 C GLN A 14 -3.464 -25.968 -3.180 1.00 0.00 C ATOM 226 O GLN A 14 -3.934 -26.502 -2.177 1.00 0.00 O ATOM 227 CB GLN A 14 -5.383 -25.934 -4.862 1.00 0.00 C ATOM 228 CG GLN A 14 -4.706 -27.037 -5.694 1.00 0.00 C ATOM 229 CD GLN A 14 -5.592 -27.624 -6.794 1.00 0.00 C ATOM 230 OE1 GLN A 14 -6.816 -27.691 -6.698 1.00 0.00 O ATOM 231 NE2 GLN A 14 -4.966 -28.055 -7.874 1.00 0.00 N ATOM 0 H GLN A 14 -3.793 -24.440 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.911 -24.446 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.096 -26.389 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.951 -25.282 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.802 -26.631 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.394 -27.840 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.950 -27.991 -7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.499 -28.452 -8.648 1.00 0.00 H new ATOM 240 N GLN A 15 -2.188 -26.144 -3.550 1.00 0.00 N ATOM 241 CA GLN A 15 -1.251 -27.032 -2.869 1.00 0.00 C ATOM 242 C GLN A 15 -0.359 -26.245 -1.907 1.00 0.00 C ATOM 243 O GLN A 15 0.019 -26.771 -0.856 1.00 0.00 O ATOM 244 CB GLN A 15 -0.385 -27.787 -3.897 1.00 0.00 C ATOM 245 CG GLN A 15 -1.202 -28.571 -4.940 1.00 0.00 C ATOM 246 CD GLN A 15 -0.310 -29.347 -5.913 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.535 -30.145 -5.513 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.469 -29.141 -7.212 1.00 0.00 N ATOM 0 H GLN A 15 -1.775 -25.661 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.826 -27.756 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.256 -27.072 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.271 -28.479 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.869 -29.266 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.831 -27.879 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.171 -28.478 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.111 -29.645 -7.883 1.00 0.00 H new ATOM 257 N GLU A 16 -0.025 -24.996 -2.240 1.00 0.00 N ATOM 258 CA GLU A 16 0.834 -24.129 -1.440 1.00 0.00 C ATOM 259 C GLU A 16 0.691 -22.693 -1.937 1.00 0.00 C ATOM 260 O GLU A 16 0.697 -22.483 -3.149 1.00 0.00 O ATOM 261 CB GLU A 16 2.290 -24.607 -1.603 1.00 0.00 C ATOM 262 CG GLU A 16 3.279 -23.979 -0.609 1.00 0.00 C ATOM 263 CD GLU A 16 4.596 -24.768 -0.569 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.556 -25.972 -0.233 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.672 -24.196 -0.869 1.00 0.00 O ATOM 0 H GLU A 16 -0.355 -24.551 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 16 0.552 -24.168 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.319 -25.691 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.622 -24.384 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.479 -22.946 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.835 -23.956 0.386 1.00 0.00 H new ATOM 272 N HIS A 17 0.605 -21.709 -1.041 1.00 0.00 N ATOM 273 CA HIS A 17 0.697 -20.284 -1.352 1.00 0.00 C ATOM 274 C HIS A 17 1.086 -19.511 -0.089 1.00 0.00 C ATOM 275 O HIS A 17 0.910 -20.015 1.023 1.00 0.00 O ATOM 276 CB HIS A 17 -0.619 -19.763 -1.952 1.00 0.00 C ATOM 277 CG HIS A 17 -1.872 -20.031 -1.153 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.699 -21.123 -1.287 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.487 -19.169 -0.284 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.779 -20.927 -0.515 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.700 -19.745 0.122 1.00 0.00 N ATOM 0 H HIS A 17 0.465 -21.889 -0.047 1.00 0.00 H new ATOM 0 HA HIS A 17 1.470 -20.131 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.528 -18.686 -2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.743 -20.205 -2.941 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.522 -21.940 -1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.104 -18.211 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.599 -21.623 -0.418 1.00 0.00 H new ATOM 289 N VAL A 18 1.626 -18.298 -0.247 1.00 0.00 N ATOM 290 CA VAL A 18 1.954 -17.421 0.876 1.00 0.00 C ATOM 291 C VAL A 18 0.638 -17.012 1.542 1.00 0.00 C ATOM 292 O VAL A 18 -0.340 -16.701 0.855 1.00 0.00 O ATOM 293 CB VAL A 18 2.769 -16.195 0.399 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.169 -15.273 1.563 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.062 -16.616 -0.314 1.00 0.00 C ATOM 0 H VAL A 18 1.847 -17.899 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 18 2.583 -17.940 1.599 1.00 0.00 H new ATOM 0 HB VAL A 18 2.111 -15.662 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.739 -14.427 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.272 -14.908 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.780 -15.829 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.607 -15.728 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.682 -17.195 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.816 -17.224 -1.185 1.00 0.00 H new ATOM 305 N GLN A 19 0.611 -17.010 2.876 1.00 0.00 N ATOM 306 CA GLN A 19 -0.560 -16.627 3.652 1.00 0.00 C ATOM 307 C GLN A 19 -1.002 -15.213 3.239 1.00 0.00 C ATOM 308 O GLN A 19 -0.211 -14.269 3.294 1.00 0.00 O ATOM 309 CB GLN A 19 -0.222 -16.758 5.151 1.00 0.00 C ATOM 310 CG GLN A 19 -1.433 -16.666 6.097 1.00 0.00 C ATOM 311 CD GLN A 19 -2.003 -15.252 6.253 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.286 -14.296 6.538 1.00 0.00 O ATOM 313 NE2 GLN A 19 -3.302 -15.079 6.069 1.00 0.00 N ATOM 0 H GLN A 19 1.411 -17.277 3.449 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.407 -17.285 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.277 -17.713 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.490 -15.977 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.219 -17.324 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.142 -17.038 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.894 -15.875 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.711 -14.149 6.164 1.00 0.00 H new ATOM 322 N GLY A 20 -2.264 -15.076 2.819 1.00 0.00 N ATOM 323 CA GLY A 20 -2.890 -13.793 2.514 1.00 0.00 C ATOM 324 C GLY A 20 -2.638 -13.288 1.087 1.00 0.00 C ATOM 325 O GLY A 20 -3.144 -12.220 0.736 1.00 0.00 O ATOM 0 H GLY A 20 -2.888 -15.871 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.965 -13.881 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.525 -13.047 3.220 1.00 0.00 H new ATOM 329 N ALA A 21 -1.872 -14.013 0.262 1.00 0.00 N ATOM 330 CA ALA A 21 -1.656 -13.655 -1.139 1.00 0.00 C ATOM 331 C ALA A 21 -2.923 -13.870 -1.981 1.00 0.00 C ATOM 332 O ALA A 21 -3.866 -14.542 -1.553 1.00 0.00 O ATOM 333 CB ALA A 21 -0.509 -14.498 -1.698 1.00 0.00 C ATOM 0 H ALA A 21 -1.387 -14.863 0.550 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.404 -12.596 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.341 -14.237 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.398 -14.304 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.765 -15.555 -1.625 1.00 0.00 H new ATOM 339 N ILE A 22 -2.904 -13.352 -3.212 1.00 0.00 N ATOM 340 CA ILE A 22 -3.900 -13.617 -4.251 1.00 0.00 C ATOM 341 C ILE A 22 -3.213 -14.506 -5.296 1.00 0.00 C ATOM 342 O ILE A 22 -1.989 -14.447 -5.429 1.00 0.00 O ATOM 343 CB ILE A 22 -4.375 -12.294 -4.923 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.427 -11.045 -4.007 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.738 -12.477 -5.618 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.412 -11.127 -2.834 1.00 0.00 C ATOM 0 H ILE A 22 -2.170 -12.715 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.779 -14.098 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.592 -12.087 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.428 -10.867 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.686 -10.179 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.042 -11.536 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.654 -13.245 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.484 -12.779 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.369 -10.203 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.423 -11.269 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.145 -11.967 -2.193 1.00 0.00 H new ATOM 358 N ASN A 23 -3.977 -15.267 -6.086 1.00 0.00 N ATOM 359 CA ASN A 23 -3.466 -15.927 -7.287 1.00 0.00 C ATOM 360 C ASN A 23 -4.204 -15.344 -8.473 1.00 0.00 C ATOM 361 O ASN A 23 -5.435 -15.257 -8.475 1.00 0.00 O ATOM 362 CB ASN A 23 -3.591 -17.456 -7.251 1.00 0.00 C ATOM 363 CG ASN A 23 -3.288 -18.085 -8.617 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.134 -18.097 -9.503 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.096 -18.613 -8.831 1.00 0.00 N ATOM 0 H ASN A 23 -4.966 -15.441 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.394 -15.740 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.906 -17.859 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.599 -17.731 -6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.879 -19.032 -9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.393 -18.602 -8.092 1.00 0.00 H new ATOM 372 N ILE A 24 -3.425 -14.934 -9.466 1.00 0.00 N ATOM 373 CA ILE A 24 -3.906 -14.424 -10.732 1.00 0.00 C ATOM 374 C ILE A 24 -2.860 -14.932 -11.730 1.00 0.00 C ATOM 375 O ILE A 24 -1.760 -14.377 -11.754 1.00 0.00 O ATOM 376 CB ILE A 24 -4.010 -12.878 -10.725 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.662 -12.258 -9.470 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.712 -12.451 -12.009 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.786 -10.728 -9.482 1.00 0.00 C ATOM 0 H ILE A 24 -2.407 -14.950 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.915 -14.758 -10.975 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.994 -12.484 -10.683 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.657 -12.686 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.081 -12.552 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.800 -11.365 -12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.133 -12.786 -12.869 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.706 -12.896 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.256 -10.394 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.794 -10.283 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.396 -10.419 -10.331 1.00 0.00 H new ATOM 391 N PRO A 25 -3.127 -16.007 -12.493 1.00 0.00 N ATOM 392 CA PRO A 25 -2.103 -16.621 -13.326 1.00 0.00 C ATOM 393 C PRO A 25 -1.659 -15.617 -14.398 1.00 0.00 C ATOM 394 O PRO A 25 -2.431 -14.740 -14.783 1.00 0.00 O ATOM 395 CB PRO A 25 -2.736 -17.909 -13.859 1.00 0.00 C ATOM 396 CG PRO A 25 -4.233 -17.609 -13.869 1.00 0.00 C ATOM 397 CD PRO A 25 -4.413 -16.661 -12.682 1.00 0.00 C ATOM 0 HA PRO A 25 -1.185 -16.881 -12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.371 -18.150 -14.857 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.504 -18.761 -13.221 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.543 -17.144 -14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.825 -18.516 -13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.197 -15.930 -12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.708 -17.208 -11.787 1.00 0.00 H new ATOM 405 N LEU A 26 -0.422 -15.739 -14.884 1.00 0.00 N ATOM 406 CA LEU A 26 0.264 -14.732 -15.705 1.00 0.00 C ATOM 407 C LEU A 26 -0.601 -14.075 -16.792 1.00 0.00 C ATOM 408 O LEU A 26 -0.711 -12.852 -16.839 1.00 0.00 O ATOM 409 CB LEU A 26 1.508 -15.391 -16.331 1.00 0.00 C ATOM 410 CG LEU A 26 2.477 -14.401 -17.008 1.00 0.00 C ATOM 411 CD1 LEU A 26 3.302 -13.666 -15.949 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.418 -15.146 -17.961 1.00 0.00 C ATOM 0 H LEU A 26 0.150 -16.566 -14.713 1.00 0.00 H new ATOM 0 HA LEU A 26 0.530 -13.910 -15.040 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.046 -15.935 -15.555 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.184 -16.125 -17.068 1.00 0.00 H new ATOM 0 HG LEU A 26 1.892 -13.678 -17.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.983 -12.969 -16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.635 -13.116 -15.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.876 -14.389 -15.369 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.097 -14.435 -18.432 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.995 -15.882 -17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.833 -15.652 -18.729 1.00 0.00 H new ATOM 424 N LYS A 27 -1.237 -14.865 -17.662 1.00 0.00 N ATOM 425 CA LYS A 27 -2.059 -14.342 -18.755 1.00 0.00 C ATOM 426 C LYS A 27 -3.254 -13.536 -18.242 1.00 0.00 C ATOM 427 O LYS A 27 -3.690 -12.600 -18.910 1.00 0.00 O ATOM 428 CB LYS A 27 -2.494 -15.479 -19.699 1.00 0.00 C ATOM 429 CG LYS A 27 -3.407 -16.536 -19.049 1.00 0.00 C ATOM 430 CD LYS A 27 -3.747 -17.654 -20.044 1.00 0.00 C ATOM 431 CE LYS A 27 -4.667 -18.689 -19.381 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.027 -19.793 -20.306 1.00 0.00 N ATOM 0 H LYS A 27 -1.196 -15.884 -17.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.445 -13.647 -19.328 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.013 -15.046 -20.554 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.603 -15.975 -20.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.914 -16.960 -18.174 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.325 -16.064 -18.699 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.235 -17.233 -20.923 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.832 -18.136 -20.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.173 -19.101 -18.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.576 -18.196 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.649 -20.468 -19.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.522 -19.405 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.163 -20.281 -20.617 1.00 0.00 H new ATOM 446 N GLU A 28 -3.778 -13.883 -17.065 1.00 0.00 N ATOM 447 CA GLU A 28 -4.851 -13.154 -16.414 1.00 0.00 C ATOM 448 C GLU A 28 -4.314 -11.913 -15.716 1.00 0.00 C ATOM 449 O GLU A 28 -5.010 -10.905 -15.711 1.00 0.00 O ATOM 450 CB GLU A 28 -5.586 -14.058 -15.408 1.00 0.00 C ATOM 451 CG GLU A 28 -6.995 -14.407 -15.899 1.00 0.00 C ATOM 452 CD GLU A 28 -7.676 -15.448 -14.996 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.843 -15.181 -13.785 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.073 -16.525 -15.499 1.00 0.00 O ATOM 0 H GLU A 28 -3.458 -14.693 -16.534 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.560 -12.838 -17.179 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.015 -14.974 -15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.649 -13.556 -14.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.602 -13.502 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.940 -14.791 -16.918 1.00 0.00 H new ATOM 461 N VAL A 29 -3.106 -11.943 -15.140 1.00 0.00 N ATOM 462 CA VAL A 29 -2.596 -10.821 -14.344 1.00 0.00 C ATOM 463 C VAL A 29 -2.542 -9.556 -15.185 1.00 0.00 C ATOM 464 O VAL A 29 -2.920 -8.488 -14.715 1.00 0.00 O ATOM 465 CB VAL A 29 -1.261 -11.166 -13.642 1.00 0.00 C ATOM 466 CG1 VAL A 29 0.037 -10.746 -14.356 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.226 -10.516 -12.250 1.00 0.00 C ATOM 0 H VAL A 29 -2.464 -12.732 -15.211 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.294 -10.624 -13.530 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.264 -12.256 -13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.896 -11.048 -13.757 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.088 -11.229 -15.332 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.047 -9.664 -14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.285 -10.761 -11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.312 -9.434 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.056 -10.892 -11.652 1.00 0.00 H new ATOM 477 N LYS A 30 -2.182 -9.700 -16.459 1.00 0.00 N ATOM 478 CA LYS A 30 -2.114 -8.596 -17.406 1.00 0.00 C ATOM 479 C LYS A 30 -3.477 -7.943 -17.699 1.00 0.00 C ATOM 480 O LYS A 30 -3.525 -6.946 -18.416 1.00 0.00 O ATOM 481 CB LYS A 30 -1.385 -9.077 -18.674 1.00 0.00 C ATOM 482 CG LYS A 30 -0.643 -7.899 -19.327 1.00 0.00 C ATOM 483 CD LYS A 30 0.146 -8.327 -20.568 1.00 0.00 C ATOM 484 CE LYS A 30 0.991 -7.144 -21.067 1.00 0.00 C ATOM 485 NZ LYS A 30 1.780 -7.476 -22.277 1.00 0.00 N ATOM 0 H LYS A 30 -1.926 -10.600 -16.865 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.541 -7.788 -16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.679 -9.868 -18.421 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.101 -9.502 -19.377 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.362 -7.128 -19.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.038 -7.454 -18.601 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.790 -9.173 -20.329 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.537 -8.657 -21.351 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.336 -6.301 -21.285 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.667 -6.825 -20.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.500 -6.742 -22.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.246 -8.396 -22.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.148 -7.522 -23.102 1.00 0.00 H new ATOM 499 N GLU A 31 -4.579 -8.448 -17.144 1.00 0.00 N ATOM 500 CA GLU A 31 -5.877 -7.784 -17.179 1.00 0.00 C ATOM 501 C GLU A 31 -6.389 -7.582 -15.751 1.00 0.00 C ATOM 502 O GLU A 31 -6.713 -6.464 -15.355 1.00 0.00 O ATOM 503 CB GLU A 31 -6.870 -8.600 -18.024 1.00 0.00 C ATOM 504 CG GLU A 31 -6.492 -8.633 -19.512 1.00 0.00 C ATOM 505 CD GLU A 31 -7.568 -9.346 -20.351 1.00 0.00 C ATOM 506 OE1 GLU A 31 -7.492 -10.582 -20.531 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.495 -8.673 -20.859 1.00 0.00 O ATOM 0 H GLU A 31 -4.593 -9.341 -16.652 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.774 -6.805 -17.647 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.914 -9.620 -17.642 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.868 -8.175 -17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.359 -7.615 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.536 -9.143 -19.635 1.00 0.00 H new ATOM 514 N ARG A 32 -6.410 -8.646 -14.947 1.00 0.00 N ATOM 515 CA ARG A 32 -6.977 -8.654 -13.600 1.00 0.00 C ATOM 516 C ARG A 32 -6.229 -7.759 -12.625 1.00 0.00 C ATOM 517 O ARG A 32 -6.837 -7.331 -11.644 1.00 0.00 O ATOM 518 CB ARG A 32 -7.066 -10.087 -13.060 1.00 0.00 C ATOM 519 CG ARG A 32 -8.377 -10.743 -13.513 1.00 0.00 C ATOM 520 CD ARG A 32 -8.519 -12.160 -12.954 1.00 0.00 C ATOM 521 NE ARG A 32 -8.635 -12.182 -11.481 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.316 -13.205 -10.673 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.902 -14.371 -11.161 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.404 -13.053 -9.355 1.00 0.00 N ATOM 0 H ARG A 32 -6.023 -9.549 -15.223 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.981 -8.239 -13.688 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.217 -10.671 -13.415 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.013 -10.077 -11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.221 -10.136 -13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.411 -10.775 -14.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.399 -12.632 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.656 -12.754 -13.255 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.992 -11.337 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.821 -14.502 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.665 -15.134 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.712 -12.163 -8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.163 -13.826 -8.735 1.00 0.00 H new ATOM 538 N ILE A 33 -4.955 -7.434 -12.866 1.00 0.00 N ATOM 539 CA ILE A 33 -4.260 -6.480 -12.003 1.00 0.00 C ATOM 540 C ILE A 33 -4.982 -5.128 -12.031 1.00 0.00 C ATOM 541 O ILE A 33 -5.043 -4.465 -11.002 1.00 0.00 O ATOM 542 CB ILE A 33 -2.758 -6.364 -12.350 1.00 0.00 C ATOM 543 CG1 ILE A 33 -1.951 -5.740 -11.189 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.533 -5.571 -13.650 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.747 -6.710 -10.019 1.00 0.00 C ATOM 0 H ILE A 33 -4.397 -7.808 -13.633 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.291 -6.854 -10.980 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.393 -7.379 -12.508 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.979 -5.417 -11.561 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.467 -4.849 -10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.465 -5.512 -13.860 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.037 -6.074 -14.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.937 -4.565 -13.537 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.174 -6.217 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.717 -7.014 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.205 -7.590 -10.366 1.00 0.00 H new ATOM 557 N ALA A 34 -5.592 -4.741 -13.160 1.00 0.00 N ATOM 558 CA ALA A 34 -6.347 -3.498 -13.232 1.00 0.00 C ATOM 559 C ALA A 34 -7.550 -3.526 -12.285 1.00 0.00 C ATOM 560 O ALA A 34 -7.896 -2.505 -11.696 1.00 0.00 O ATOM 561 CB ALA A 34 -6.800 -3.238 -14.671 1.00 0.00 C ATOM 0 H ALA A 34 -5.573 -5.274 -14.029 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.694 -2.684 -12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.364 -2.306 -14.712 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.927 -3.163 -15.319 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.432 -4.060 -15.007 1.00 0.00 H new ATOM 567 N THR A 35 -8.179 -4.688 -12.124 1.00 0.00 N ATOM 568 CA THR A 35 -9.306 -4.884 -11.223 1.00 0.00 C ATOM 569 C THR A 35 -8.828 -4.878 -9.763 1.00 0.00 C ATOM 570 O THR A 35 -9.465 -4.271 -8.900 1.00 0.00 O ATOM 571 CB THR A 35 -10.013 -6.210 -11.583 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.061 -6.388 -12.992 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.444 -6.252 -11.037 1.00 0.00 C ATOM 0 H THR A 35 -7.912 -5.534 -12.627 1.00 0.00 H new ATOM 0 HA THR A 35 -10.019 -4.067 -11.335 1.00 0.00 H new ATOM 0 HB THR A 35 -9.433 -7.012 -11.126 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.511 -7.234 -13.200 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.910 -7.199 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.422 -6.158 -9.951 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.020 -5.429 -11.461 1.00 0.00 H new ATOM 581 N ALA A 36 -7.705 -5.549 -9.486 1.00 0.00 N ATOM 582 CA ALA A 36 -7.227 -5.799 -8.129 1.00 0.00 C ATOM 583 C ALA A 36 -6.437 -4.617 -7.550 1.00 0.00 C ATOM 584 O ALA A 36 -6.475 -4.387 -6.341 1.00 0.00 O ATOM 585 CB ALA A 36 -6.362 -7.066 -8.135 1.00 0.00 C ATOM 0 H ALA A 36 -7.098 -5.937 -10.208 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.097 -5.932 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.999 -7.263 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.958 -7.912 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.514 -6.924 -8.805 1.00 0.00 H new ATOM 591 N VAL A 37 -5.720 -3.881 -8.401 1.00 0.00 N ATOM 592 CA VAL A 37 -4.745 -2.856 -8.038 1.00 0.00 C ATOM 593 C VAL A 37 -4.836 -1.692 -9.053 1.00 0.00 C ATOM 594 O VAL A 37 -3.852 -1.383 -9.728 1.00 0.00 O ATOM 595 CB VAL A 37 -3.318 -3.472 -7.954 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.362 -2.537 -7.193 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.247 -4.859 -7.292 1.00 0.00 C ATOM 0 H VAL A 37 -5.809 -3.990 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.966 -2.455 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.020 -3.594 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.371 -2.989 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.301 -1.580 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.736 -2.379 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.213 -5.204 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.619 -4.794 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.858 -5.563 -7.856 1.00 0.00 H new ATOM 607 N PRO A 38 -5.992 -1.018 -9.210 1.00 0.00 N ATOM 608 CA PRO A 38 -6.120 0.109 -10.137 1.00 0.00 C ATOM 609 C PRO A 38 -5.243 1.309 -9.737 1.00 0.00 C ATOM 610 O PRO A 38 -4.981 2.188 -10.558 1.00 0.00 O ATOM 611 CB PRO A 38 -7.608 0.485 -10.127 1.00 0.00 C ATOM 612 CG PRO A 38 -8.103 -0.012 -8.769 1.00 0.00 C ATOM 613 CD PRO A 38 -7.246 -1.249 -8.510 1.00 0.00 C ATOM 0 HA PRO A 38 -5.775 -0.173 -11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.749 1.560 -10.235 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.146 0.009 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.967 0.740 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.165 -0.257 -8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.077 -1.391 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.738 -2.149 -8.877 1.00 0.00 H new ATOM 621 N ASP A 39 -4.805 1.359 -8.475 1.00 0.00 N ATOM 622 CA ASP A 39 -3.997 2.431 -7.899 1.00 0.00 C ATOM 623 C ASP A 39 -2.595 2.545 -8.525 1.00 0.00 C ATOM 624 O ASP A 39 -2.053 3.647 -8.608 1.00 0.00 O ATOM 625 CB ASP A 39 -3.895 2.168 -6.392 1.00 0.00 C ATOM 626 CG ASP A 39 -2.865 3.084 -5.727 1.00 0.00 C ATOM 627 OD1 ASP A 39 -3.224 4.204 -5.295 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.696 2.656 -5.643 1.00 0.00 O ATOM 0 H ASP A 39 -5.014 0.622 -7.802 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.483 3.384 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.870 2.320 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.620 1.127 -6.222 1.00 0.00 H new ATOM 633 N LYS A 40 -2.026 1.426 -8.990 1.00 0.00 N ATOM 634 CA LYS A 40 -0.681 1.268 -9.575 1.00 0.00 C ATOM 635 C LYS A 40 0.529 1.682 -8.719 1.00 0.00 C ATOM 636 O LYS A 40 1.635 1.246 -9.049 1.00 0.00 O ATOM 637 CB LYS A 40 -0.592 1.904 -10.977 1.00 0.00 C ATOM 638 CG LYS A 40 -1.630 1.348 -11.964 1.00 0.00 C ATOM 639 CD LYS A 40 -1.192 1.543 -13.422 1.00 0.00 C ATOM 640 CE LYS A 40 -2.237 0.929 -14.363 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.859 1.072 -15.791 1.00 0.00 N ATOM 0 H LYS A 40 -2.528 0.539 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.588 0.184 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.726 2.982 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.407 1.739 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.784 0.287 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.587 1.844 -11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.074 2.605 -13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.221 1.075 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.361 -0.128 -14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.201 1.408 -14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.610 0.674 -16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.733 2.079 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.969 0.564 -15.967 1.00 0.00 H new ATOM 655 N ASN A 41 0.371 2.470 -7.652 1.00 0.00 N ATOM 656 CA ASN A 41 1.468 2.865 -6.768 1.00 0.00 C ATOM 657 C ASN A 41 1.691 1.818 -5.675 1.00 0.00 C ATOM 658 O ASN A 41 2.818 1.645 -5.217 1.00 0.00 O ATOM 659 CB ASN A 41 1.186 4.235 -6.137 1.00 0.00 C ATOM 660 CG ASN A 41 2.366 4.708 -5.297 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.376 5.155 -5.831 1.00 0.00 O ATOM 662 ND2 ASN A 41 2.262 4.653 -3.978 1.00 0.00 N ATOM 0 H ASN A 41 -0.532 2.855 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 41 2.375 2.936 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.979 4.964 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.294 4.175 -5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.028 4.985 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.416 4.279 -3.548 1.00 0.00 H new ATOM 669 N ASP A 42 0.634 1.113 -5.261 1.00 0.00 N ATOM 670 CA ASP A 42 0.708 -0.074 -4.405 1.00 0.00 C ATOM 671 C ASP A 42 1.711 -1.055 -5.023 1.00 0.00 C ATOM 672 O ASP A 42 1.642 -1.352 -6.220 1.00 0.00 O ATOM 673 CB ASP A 42 -0.672 -0.746 -4.275 1.00 0.00 C ATOM 674 CG ASP A 42 -1.426 -0.315 -3.008 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.892 -0.524 -1.897 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.551 0.226 -3.112 1.00 0.00 O ATOM 0 H ASP A 42 -0.322 1.359 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 42 1.031 0.220 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.274 -0.503 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.545 -1.829 -4.266 1.00 0.00 H new ATOM 681 N THR A 43 2.645 -1.549 -4.212 1.00 0.00 N ATOM 682 CA THR A 43 3.639 -2.535 -4.614 1.00 0.00 C ATOM 683 C THR A 43 2.935 -3.820 -5.065 1.00 0.00 C ATOM 684 O THR A 43 1.903 -4.194 -4.500 1.00 0.00 O ATOM 685 CB THR A 43 4.613 -2.772 -3.439 1.00 0.00 C ATOM 686 OG1 THR A 43 5.188 -1.557 -3.000 1.00 0.00 O ATOM 687 CG2 THR A 43 5.720 -3.812 -3.644 1.00 0.00 C ATOM 0 H THR A 43 2.731 -1.267 -3.236 1.00 0.00 H new ATOM 0 HA THR A 43 4.222 -2.176 -5.462 1.00 0.00 H new ATOM 0 HB THR A 43 3.964 -3.207 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.577 -1.112 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.329 -3.877 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.272 -4.784 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.347 -3.515 -4.485 1.00 0.00 H new ATOM 695 N VAL A 44 3.518 -4.540 -6.024 1.00 0.00 N ATOM 696 CA VAL A 44 3.002 -5.828 -6.472 1.00 0.00 C ATOM 697 C VAL A 44 4.162 -6.814 -6.430 1.00 0.00 C ATOM 698 O VAL A 44 5.056 -6.768 -7.276 1.00 0.00 O ATOM 699 CB VAL A 44 2.331 -5.729 -7.860 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.616 -7.054 -8.155 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.294 -4.596 -7.943 1.00 0.00 C ATOM 0 H VAL A 44 4.363 -4.243 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 44 2.207 -6.178 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 44 3.116 -5.516 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.137 -6.999 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.341 -7.868 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.861 -7.238 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.856 -4.576 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.509 -4.766 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.781 -3.642 -7.741 1.00 0.00 H new ATOM 711 N LYS A 45 4.163 -7.667 -5.404 1.00 0.00 N ATOM 712 CA LYS A 45 5.168 -8.697 -5.180 1.00 0.00 C ATOM 713 C LYS A 45 4.760 -9.908 -6.011 1.00 0.00 C ATOM 714 O LYS A 45 3.904 -10.686 -5.579 1.00 0.00 O ATOM 715 CB LYS A 45 5.274 -9.021 -3.677 1.00 0.00 C ATOM 716 CG LYS A 45 5.602 -7.776 -2.840 1.00 0.00 C ATOM 717 CD LYS A 45 5.672 -8.118 -1.349 1.00 0.00 C ATOM 718 CE LYS A 45 6.098 -6.926 -0.479 1.00 0.00 C ATOM 719 NZ LYS A 45 7.568 -6.729 -0.444 1.00 0.00 N ATOM 0 H LYS A 45 3.439 -7.656 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 45 6.160 -8.365 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.334 -9.452 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.046 -9.775 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.554 -7.356 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.843 -7.012 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.696 -8.473 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.376 -8.937 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.625 -6.020 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.733 -7.076 0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.791 -5.882 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.019 -7.560 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.925 -6.607 -1.413 1.00 0.00 H new ATOM 733 N VAL A 46 5.283 -10.028 -7.229 1.00 0.00 N ATOM 734 CA VAL A 46 4.962 -11.156 -8.098 1.00 0.00 C ATOM 735 C VAL A 46 5.790 -12.366 -7.656 1.00 0.00 C ATOM 736 O VAL A 46 6.991 -12.223 -7.407 1.00 0.00 O ATOM 737 CB VAL A 46 5.162 -10.798 -9.587 1.00 0.00 C ATOM 738 CG1 VAL A 46 4.128 -9.748 -10.021 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.563 -10.277 -9.946 1.00 0.00 C ATOM 0 H VAL A 46 5.933 -9.356 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 46 3.906 -11.410 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 46 5.032 -11.740 -10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.278 -9.503 -11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.123 -10.147 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.248 -8.848 -9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.606 -10.053 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.771 -9.371 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.307 -11.037 -9.705 1.00 0.00 H new ATOM 749 N TYR A 47 5.178 -13.552 -7.571 1.00 0.00 N ATOM 750 CA TYR A 47 5.887 -14.788 -7.243 1.00 0.00 C ATOM 751 C TYR A 47 5.253 -16.003 -7.937 1.00 0.00 C ATOM 752 O TYR A 47 4.142 -15.905 -8.463 1.00 0.00 O ATOM 753 CB TYR A 47 5.982 -14.967 -5.720 1.00 0.00 C ATOM 754 CG TYR A 47 4.735 -15.478 -5.027 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.718 -14.585 -4.636 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.605 -16.852 -4.753 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.595 -15.061 -3.934 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.476 -17.333 -4.073 1.00 0.00 C ATOM 759 CZ TYR A 47 2.482 -16.439 -3.635 1.00 0.00 C ATOM 760 OH TYR A 47 1.417 -16.932 -2.941 1.00 0.00 O ATOM 0 H TYR A 47 4.178 -13.679 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 47 6.904 -14.712 -7.627 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.799 -15.656 -5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.250 -14.007 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.800 -13.535 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.377 -17.539 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.820 -14.375 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.370 -18.391 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 47 1.386 -17.907 -3.038 1.00 0.00 H new ATOM 770 N CYS A 48 5.946 -17.148 -7.943 1.00 0.00 N ATOM 771 CA CYS A 48 5.473 -18.423 -8.460 1.00 0.00 C ATOM 772 C CYS A 48 6.150 -19.559 -7.680 1.00 0.00 C ATOM 773 O CYS A 48 6.376 -19.426 -6.477 1.00 0.00 O ATOM 774 CB CYS A 48 5.657 -18.482 -9.994 1.00 0.00 C ATOM 775 SG CYS A 48 7.405 -18.516 -10.490 1.00 0.00 S ATOM 0 H CYS A 48 6.893 -17.206 -7.569 1.00 0.00 H new ATOM 0 HA CYS A 48 4.401 -18.542 -8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.156 -19.369 -10.382 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.172 -17.618 -10.448 1.00 0.00 H new ATOM 0 HG CYS A 48 7.954 -17.368 -10.224 1.00 0.00 H new ATOM 781 N ASN A 49 6.457 -20.687 -8.330 1.00 0.00 N ATOM 782 CA ASN A 49 7.061 -21.848 -7.670 1.00 0.00 C ATOM 783 C ASN A 49 8.475 -21.521 -7.178 1.00 0.00 C ATOM 784 O ASN A 49 8.798 -21.796 -6.021 1.00 0.00 O ATOM 785 CB ASN A 49 7.067 -23.046 -8.635 1.00 0.00 C ATOM 786 CG ASN A 49 7.527 -24.328 -7.944 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.708 -24.517 -7.669 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.612 -25.242 -7.662 1.00 0.00 N ATOM 0 H ASN A 49 6.294 -20.820 -9.328 1.00 0.00 H new ATOM 0 HA ASN A 49 6.466 -22.110 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.066 -23.191 -9.041 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.724 -22.831 -9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.885 -26.115 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.634 -25.073 -7.896 1.00 0.00 H new ATOM 795 N ALA A 50 9.292 -20.872 -8.022 1.00 0.00 N ATOM 796 CA ALA A 50 10.691 -20.569 -7.710 1.00 0.00 C ATOM 797 C ALA A 50 11.184 -19.213 -8.243 1.00 0.00 C ATOM 798 O ALA A 50 12.131 -18.672 -7.671 1.00 0.00 O ATOM 799 CB ALA A 50 11.577 -21.697 -8.252 1.00 0.00 C ATOM 0 H ALA A 50 8.997 -20.543 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 50 10.758 -20.497 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.621 -21.481 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.292 -22.640 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.449 -21.773 -9.332 1.00 0.00 H new ATOM 805 N GLY A 51 10.574 -18.643 -9.294 1.00 0.00 N ATOM 806 CA GLY A 51 10.948 -17.313 -9.791 1.00 0.00 C ATOM 807 C GLY A 51 10.739 -17.098 -11.289 1.00 0.00 C ATOM 808 O GLY A 51 10.593 -15.951 -11.711 1.00 0.00 O ATOM 0 H GLY A 51 9.818 -19.085 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.371 -16.564 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.998 -17.137 -9.558 1.00 0.00 H new ATOM 812 N ARG A 52 10.715 -18.165 -12.099 1.00 0.00 N ATOM 813 CA ARG A 52 10.682 -18.068 -13.565 1.00 0.00 C ATOM 814 C ARG A 52 9.539 -17.178 -14.051 1.00 0.00 C ATOM 815 O ARG A 52 9.780 -16.181 -14.734 1.00 0.00 O ATOM 816 CB ARG A 52 10.617 -19.487 -14.165 1.00 0.00 C ATOM 817 CG ARG A 52 10.452 -19.493 -15.694 1.00 0.00 C ATOM 818 CD ARG A 52 10.548 -20.921 -16.248 1.00 0.00 C ATOM 819 NE ARG A 52 10.353 -20.949 -17.710 1.00 0.00 N ATOM 820 CZ ARG A 52 11.298 -20.773 -18.644 1.00 0.00 C ATOM 821 NH1 ARG A 52 12.563 -20.538 -18.301 1.00 0.00 N ATOM 822 NH2 ARG A 52 10.968 -20.830 -19.930 1.00 0.00 N ATOM 0 H ARG A 52 10.718 -19.125 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 52 11.597 -17.587 -13.911 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.527 -20.027 -13.902 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.784 -20.027 -13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.489 -19.058 -15.962 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.221 -18.869 -16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.522 -21.343 -16.002 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.798 -21.550 -15.768 1.00 0.00 H new ATOM 0 HE ARG A 52 9.404 -21.119 -18.043 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.824 -20.490 -17.316 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.271 -20.406 -19.023 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.001 -21.007 -20.201 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.682 -20.697 -20.646 1.00 0.00 H new ATOM 836 N GLN A 53 8.300 -17.527 -13.701 1.00 0.00 N ATOM 837 CA GLN A 53 7.133 -16.799 -14.189 1.00 0.00 C ATOM 838 C GLN A 53 7.025 -15.434 -13.500 1.00 0.00 C ATOM 839 O GLN A 53 6.560 -14.481 -14.120 1.00 0.00 O ATOM 840 CB GLN A 53 5.885 -17.682 -14.035 1.00 0.00 C ATOM 841 CG GLN A 53 4.661 -17.154 -14.794 1.00 0.00 C ATOM 842 CD GLN A 53 3.847 -18.290 -15.426 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.273 -18.907 -16.399 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.668 -18.601 -14.909 1.00 0.00 N ATOM 0 H GLN A 53 8.081 -18.308 -13.083 1.00 0.00 H new ATOM 0 HA GLN A 53 7.233 -16.579 -15.252 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.115 -18.687 -14.389 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.638 -17.765 -12.977 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.026 -16.589 -14.111 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.986 -16.464 -15.572 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.314 -18.089 -14.101 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.114 -19.353 -15.319 1.00 0.00 H new ATOM 853 N SER A 54 7.523 -15.303 -12.268 1.00 0.00 N ATOM 854 CA SER A 54 7.643 -14.034 -11.560 1.00 0.00 C ATOM 855 C SER A 54 8.516 -13.047 -12.339 1.00 0.00 C ATOM 856 O SER A 54 8.221 -11.853 -12.370 1.00 0.00 O ATOM 857 CB SER A 54 8.254 -14.273 -10.172 1.00 0.00 C ATOM 858 OG SER A 54 7.915 -15.549 -9.665 1.00 0.00 O ATOM 0 H SER A 54 7.861 -16.098 -11.725 1.00 0.00 H new ATOM 0 HA SER A 54 6.646 -13.605 -11.458 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.339 -14.181 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.906 -13.503 -9.483 1.00 0.00 H new ATOM 0 HG SER A 54 8.365 -15.690 -8.806 1.00 0.00 H new ATOM 864 N GLY A 55 9.605 -13.520 -12.954 1.00 0.00 N ATOM 865 CA GLY A 55 10.512 -12.683 -13.727 1.00 0.00 C ATOM 866 C GLY A 55 9.787 -12.095 -14.930 1.00 0.00 C ATOM 867 O GLY A 55 9.811 -10.881 -15.139 1.00 0.00 O ATOM 0 H GLY A 55 9.879 -14.502 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.902 -11.881 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.367 -13.271 -14.060 1.00 0.00 H new ATOM 871 N GLN A 56 9.071 -12.942 -15.677 1.00 0.00 N ATOM 872 CA GLN A 56 8.282 -12.489 -16.814 1.00 0.00 C ATOM 873 C GLN A 56 7.174 -11.536 -16.351 1.00 0.00 C ATOM 874 O GLN A 56 6.939 -10.517 -17.005 1.00 0.00 O ATOM 875 CB GLN A 56 7.726 -13.706 -17.577 1.00 0.00 C ATOM 876 CG GLN A 56 7.009 -13.361 -18.891 1.00 0.00 C ATOM 877 CD GLN A 56 7.860 -12.550 -19.873 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.520 -13.100 -20.751 1.00 0.00 O ATOM 879 NE2 GLN A 56 7.866 -11.230 -19.751 1.00 0.00 N ATOM 0 H GLN A 56 9.026 -13.947 -15.509 1.00 0.00 H new ATOM 0 HA GLN A 56 8.916 -11.928 -17.501 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.547 -14.389 -17.794 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.031 -14.239 -16.928 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.696 -14.286 -19.376 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.103 -12.799 -18.662 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.314 -10.783 -19.019 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.422 -10.661 -20.390 1.00 0.00 H new ATOM 888 N ALA A 57 6.520 -11.839 -15.223 1.00 0.00 N ATOM 889 CA ALA A 57 5.469 -11.006 -14.658 1.00 0.00 C ATOM 890 C ALA A 57 5.985 -9.629 -14.264 1.00 0.00 C ATOM 891 O ALA A 57 5.270 -8.650 -14.471 1.00 0.00 O ATOM 892 CB ALA A 57 4.848 -11.677 -13.436 1.00 0.00 C ATOM 0 H ALA A 57 6.713 -12.679 -14.677 1.00 0.00 H new ATOM 0 HA ALA A 57 4.713 -10.882 -15.433 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.065 -11.038 -13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.419 -12.636 -13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.616 -11.837 -12.679 1.00 0.00 H new ATOM 898 N LYS A 58 7.203 -9.528 -13.712 1.00 0.00 N ATOM 899 CA LYS A 58 7.735 -8.230 -13.313 1.00 0.00 C ATOM 900 C LYS A 58 7.785 -7.307 -14.531 1.00 0.00 C ATOM 901 O LYS A 58 7.339 -6.160 -14.465 1.00 0.00 O ATOM 902 CB LYS A 58 9.093 -8.340 -12.592 1.00 0.00 C ATOM 903 CG LYS A 58 9.761 -6.954 -12.499 1.00 0.00 C ATOM 904 CD LYS A 58 10.866 -6.836 -11.446 1.00 0.00 C ATOM 905 CE LYS A 58 11.714 -5.580 -11.710 1.00 0.00 C ATOM 906 NZ LYS A 58 12.578 -5.705 -12.916 1.00 0.00 N ATOM 0 H LYS A 58 7.824 -10.318 -13.537 1.00 0.00 H new ATOM 0 HA LYS A 58 7.063 -7.792 -12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.950 -8.750 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.743 -9.030 -13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.181 -6.704 -13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.993 -6.211 -12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.426 -6.785 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.499 -7.723 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.054 -4.721 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.340 -5.381 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.199 -4.873 -12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.158 -6.565 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.981 -5.764 -13.766 1.00 0.00 H new ATOM 920 N GLU A 59 8.310 -7.797 -15.651 1.00 0.00 N ATOM 921 CA GLU A 59 8.499 -6.960 -16.827 1.00 0.00 C ATOM 922 C GLU A 59 7.143 -6.655 -17.471 1.00 0.00 C ATOM 923 O GLU A 59 6.916 -5.534 -17.919 1.00 0.00 O ATOM 924 CB GLU A 59 9.476 -7.633 -17.803 1.00 0.00 C ATOM 925 CG GLU A 59 10.882 -7.835 -17.205 1.00 0.00 C ATOM 926 CD GLU A 59 11.547 -6.521 -16.745 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.942 -5.704 -17.608 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.701 -6.308 -15.520 1.00 0.00 O ATOM 0 H GLU A 59 8.610 -8.765 -15.767 1.00 0.00 H new ATOM 0 HA GLU A 59 8.943 -6.008 -16.537 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.073 -8.600 -18.103 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.555 -7.027 -18.705 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.813 -8.515 -16.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.519 -8.315 -17.948 1.00 0.00 H new ATOM 935 N ILE A 60 6.210 -7.612 -17.444 1.00 0.00 N ATOM 936 CA ILE A 60 4.834 -7.427 -17.899 1.00 0.00 C ATOM 937 C ILE A 60 4.148 -6.312 -17.101 1.00 0.00 C ATOM 938 O ILE A 60 3.530 -5.431 -17.697 1.00 0.00 O ATOM 939 CB ILE A 60 4.109 -8.796 -17.825 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.455 -9.610 -19.091 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.590 -8.682 -17.637 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.005 -11.075 -19.033 1.00 0.00 C ATOM 0 H ILE A 60 6.396 -8.553 -17.098 1.00 0.00 H new ATOM 0 HA ILE A 60 4.802 -7.094 -18.936 1.00 0.00 H new ATOM 0 HB ILE A 60 4.466 -9.311 -16.933 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.993 -9.133 -19.955 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.533 -9.578 -19.248 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.153 -9.680 -17.594 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.377 -8.152 -16.708 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.160 -8.133 -18.475 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.284 -11.578 -19.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.487 -11.571 -18.190 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.923 -11.119 -18.909 1.00 0.00 H new ATOM 954 N LEU A 61 4.243 -6.310 -15.770 1.00 0.00 N ATOM 955 CA LEU A 61 3.574 -5.285 -14.974 1.00 0.00 C ATOM 956 C LEU A 61 4.293 -3.940 -15.095 1.00 0.00 C ATOM 957 O LEU A 61 3.648 -2.893 -15.007 1.00 0.00 O ATOM 958 CB LEU A 61 3.444 -5.723 -13.510 1.00 0.00 C ATOM 959 CG LEU A 61 2.470 -6.895 -13.270 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.311 -7.097 -11.760 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.085 -6.660 -13.890 1.00 0.00 C ATOM 0 H LEU A 61 4.769 -6.996 -15.229 1.00 0.00 H new ATOM 0 HA LEU A 61 2.566 -5.155 -15.369 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.430 -6.007 -13.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.116 -4.869 -12.918 1.00 0.00 H new ATOM 0 HG LEU A 61 2.893 -7.777 -13.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.625 -7.923 -11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.281 -7.325 -11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.914 -6.187 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.445 -7.519 -13.687 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.639 -5.765 -13.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.186 -6.529 -14.967 1.00 0.00 H new ATOM 973 N SER A 62 5.603 -3.947 -15.344 1.00 0.00 N ATOM 974 CA SER A 62 6.345 -2.728 -15.636 1.00 0.00 C ATOM 975 C SER A 62 5.859 -2.129 -16.965 1.00 0.00 C ATOM 976 O SER A 62 5.639 -0.921 -17.048 1.00 0.00 O ATOM 977 CB SER A 62 7.850 -3.022 -15.652 1.00 0.00 C ATOM 978 OG SER A 62 8.263 -3.616 -14.430 1.00 0.00 O ATOM 0 H SER A 62 6.173 -4.793 -15.348 1.00 0.00 H new ATOM 0 HA SER A 62 6.165 -1.989 -14.855 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.086 -3.687 -16.482 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.404 -2.098 -15.817 1.00 0.00 H new ATOM 0 HG SER A 62 8.047 -4.572 -14.442 1.00 0.00 H new ATOM 984 N GLU A 63 5.607 -2.962 -17.982 1.00 0.00 N ATOM 985 CA GLU A 63 5.012 -2.553 -19.252 1.00 0.00 C ATOM 986 C GLU A 63 3.589 -2.006 -19.035 1.00 0.00 C ATOM 987 O GLU A 63 3.207 -1.017 -19.662 1.00 0.00 O ATOM 988 CB GLU A 63 5.061 -3.742 -20.230 1.00 0.00 C ATOM 989 CG GLU A 63 4.410 -3.449 -21.586 1.00 0.00 C ATOM 990 CD GLU A 63 4.583 -4.622 -22.564 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.584 -4.654 -23.316 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.701 -5.510 -22.606 1.00 0.00 O ATOM 0 H GLU A 63 5.817 -3.959 -17.940 1.00 0.00 H new ATOM 0 HA GLU A 63 5.582 -1.735 -19.693 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.101 -4.027 -20.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.562 -4.597 -19.774 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.348 -3.247 -21.444 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.851 -2.549 -22.015 1.00 0.00 H new ATOM 999 N MET A 64 2.827 -2.592 -18.103 1.00 0.00 N ATOM 1000 CA MET A 64 1.512 -2.101 -17.676 1.00 0.00 C ATOM 1001 C MET A 64 1.592 -0.784 -16.880 1.00 0.00 C ATOM 1002 O MET A 64 0.550 -0.226 -16.527 1.00 0.00 O ATOM 1003 CB MET A 64 0.788 -3.179 -16.852 1.00 0.00 C ATOM 1004 CG MET A 64 0.377 -4.404 -17.679 1.00 0.00 C ATOM 1005 SD MET A 64 -1.093 -4.165 -18.711 1.00 0.00 S ATOM 1006 CE MET A 64 -2.365 -4.140 -17.416 1.00 0.00 C ATOM 0 H MET A 64 3.115 -3.440 -17.614 1.00 0.00 H new ATOM 0 HA MET A 64 0.944 -1.886 -18.581 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.437 -3.501 -16.038 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.101 -2.742 -16.397 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.211 -4.689 -18.320 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.196 -5.238 -17.001 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.345 -4.304 -17.865 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.162 -4.928 -16.691 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.353 -3.173 -16.913 1.00 0.00 H new ATOM 1016 N GLY A 65 2.789 -0.265 -16.587 1.00 0.00 N ATOM 1017 CA GLY A 65 2.973 1.057 -16.001 1.00 0.00 C ATOM 1018 C GLY A 65 2.844 1.076 -14.478 1.00 0.00 C ATOM 1019 O GLY A 65 2.674 2.153 -13.904 1.00 0.00 O ATOM 0 H GLY A 65 3.665 -0.761 -16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.957 1.434 -16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.238 1.740 -16.428 1.00 0.00 H new ATOM 1023 N TYR A 66 2.896 -0.081 -13.812 1.00 0.00 N ATOM 1024 CA TYR A 66 2.957 -0.143 -12.354 1.00 0.00 C ATOM 1025 C TYR A 66 4.316 0.401 -11.906 1.00 0.00 C ATOM 1026 O TYR A 66 5.339 0.095 -12.525 1.00 0.00 O ATOM 1027 CB TYR A 66 2.717 -1.584 -11.884 1.00 0.00 C ATOM 1028 CG TYR A 66 1.253 -1.971 -11.928 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.617 -2.218 -13.160 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.505 -1.987 -10.738 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.775 -2.399 -13.216 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.885 -2.172 -10.787 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.538 -2.338 -12.029 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.895 -2.366 -12.095 1.00 0.00 O ATOM 0 H TYR A 66 2.897 -0.994 -14.267 1.00 0.00 H new ATOM 0 HA TYR A 66 2.177 0.469 -11.902 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.289 -2.268 -12.511 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.089 -1.698 -10.866 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.202 -2.269 -14.066 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.000 -1.857 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.260 -2.584 -14.163 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.458 -2.188 -9.872 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.270 -2.035 -11.252 1.00 0.00 H new ATOM 1044 N THR A 67 4.342 1.198 -10.836 1.00 0.00 N ATOM 1045 CA THR A 67 5.530 1.958 -10.440 1.00 0.00 C ATOM 1046 C THR A 67 6.285 1.312 -9.271 1.00 0.00 C ATOM 1047 O THR A 67 7.402 1.732 -8.959 1.00 0.00 O ATOM 1048 CB THR A 67 5.112 3.412 -10.144 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.978 3.437 -9.296 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.748 4.156 -11.434 1.00 0.00 C ATOM 0 H THR A 67 3.541 1.335 -10.220 1.00 0.00 H new ATOM 0 HA THR A 67 6.242 1.954 -11.265 1.00 0.00 H new ATOM 0 HB THR A 67 5.960 3.899 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.725 4.366 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.457 5.179 -11.194 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.610 4.171 -12.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.918 3.648 -11.925 1.00 0.00 H new ATOM 1058 N HIS A 68 5.718 0.269 -8.655 1.00 0.00 N ATOM 1059 CA HIS A 68 6.308 -0.463 -7.536 1.00 0.00 C ATOM 1060 C HIS A 68 6.173 -1.975 -7.776 1.00 0.00 C ATOM 1061 O HIS A 68 5.851 -2.748 -6.872 1.00 0.00 O ATOM 1062 CB HIS A 68 5.682 -0.004 -6.207 1.00 0.00 C ATOM 1063 CG HIS A 68 6.133 1.348 -5.710 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.951 1.570 -4.624 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.747 2.576 -6.179 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.061 2.897 -4.447 1.00 0.00 C ATOM 1067 NE2 HIS A 68 6.354 3.558 -5.382 1.00 0.00 N ATOM 0 H HIS A 68 4.808 -0.098 -8.932 1.00 0.00 H new ATOM 0 HA HIS A 68 7.374 -0.244 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.598 0.014 -6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.909 -0.747 -5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.090 2.757 -7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.636 3.368 -3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.275 4.569 -5.490 1.00 0.00 H new ATOM 1075 N VAL A 69 6.368 -2.426 -9.015 1.00 0.00 N ATOM 1076 CA VAL A 69 6.491 -3.858 -9.263 1.00 0.00 C ATOM 1077 C VAL A 69 7.725 -4.342 -8.498 1.00 0.00 C ATOM 1078 O VAL A 69 8.759 -3.665 -8.496 1.00 0.00 O ATOM 1079 CB VAL A 69 6.620 -4.154 -10.765 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.573 -5.665 -11.009 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.487 -3.503 -11.562 1.00 0.00 C ATOM 0 H VAL A 69 6.443 -1.835 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 69 5.598 -4.382 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 69 7.573 -3.743 -11.097 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.665 -5.864 -12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.395 -6.145 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.625 -6.063 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.609 -3.732 -12.621 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.529 -3.890 -11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.516 -2.423 -11.419 1.00 0.00 H new ATOM 1091 N GLU A 70 7.637 -5.514 -7.876 1.00 0.00 N ATOM 1092 CA GLU A 70 8.744 -6.112 -7.163 1.00 0.00 C ATOM 1093 C GLU A 70 8.733 -7.604 -7.462 1.00 0.00 C ATOM 1094 O GLU A 70 7.717 -8.278 -7.290 1.00 0.00 O ATOM 1095 CB GLU A 70 8.609 -5.805 -5.665 1.00 0.00 C ATOM 1096 CG GLU A 70 9.873 -6.250 -4.930 1.00 0.00 C ATOM 1097 CD GLU A 70 9.903 -5.732 -3.483 1.00 0.00 C ATOM 1098 OE1 GLU A 70 9.073 -6.180 -2.662 1.00 0.00 O ATOM 1099 OE2 GLU A 70 10.770 -4.889 -3.154 1.00 0.00 O ATOM 0 H GLU A 70 6.785 -6.074 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 70 9.703 -5.703 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.447 -4.737 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.739 -6.319 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.928 -7.339 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.751 -5.887 -5.464 1.00 0.00 H new ATOM 1106 N ASN A 71 9.861 -8.126 -7.940 1.00 0.00 N ATOM 1107 CA ASN A 71 10.012 -9.562 -8.093 1.00 0.00 C ATOM 1108 C ASN A 71 10.246 -10.166 -6.714 1.00 0.00 C ATOM 1109 O ASN A 71 11.112 -9.677 -5.983 1.00 0.00 O ATOM 1110 CB ASN A 71 11.196 -9.881 -9.004 1.00 0.00 C ATOM 1111 CG ASN A 71 11.219 -11.372 -9.268 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.827 -12.148 -8.539 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.493 -11.810 -10.278 1.00 0.00 N ATOM 0 H ASN A 71 10.673 -7.578 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 71 9.113 -9.980 -8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.109 -9.333 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.128 -9.566 -8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.430 -12.811 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.995 -11.148 -10.873 1.00 0.00 H new ATOM 1120 N ALA A 72 9.518 -11.230 -6.370 1.00 0.00 N ATOM 1121 CA ALA A 72 9.599 -11.863 -5.061 1.00 0.00 C ATOM 1122 C ALA A 72 9.939 -13.357 -5.168 1.00 0.00 C ATOM 1123 O ALA A 72 9.641 -14.123 -4.251 1.00 0.00 O ATOM 1124 CB ALA A 72 8.312 -11.577 -4.278 1.00 0.00 C ATOM 0 H ALA A 72 8.852 -11.677 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 72 10.427 -11.431 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.370 -12.050 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.192 -10.501 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.458 -11.977 -4.824 1.00 0.00 H new ATOM 1130 N GLY A 73 10.585 -13.774 -6.265 1.00 0.00 N ATOM 1131 CA GLY A 73 11.078 -15.135 -6.427 1.00 0.00 C ATOM 1132 C GLY A 73 9.916 -16.119 -6.459 1.00 0.00 C ATOM 1133 O GLY A 73 8.994 -15.961 -7.264 1.00 0.00 O ATOM 0 H GLY A 73 10.778 -13.170 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.654 -15.213 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.752 -15.385 -5.608 1.00 0.00 H new ATOM 1137 N GLY A 74 9.942 -17.138 -5.605 1.00 0.00 N ATOM 1138 CA GLY A 74 8.870 -18.108 -5.532 1.00 0.00 C ATOM 1139 C GLY A 74 8.919 -18.894 -4.237 1.00 0.00 C ATOM 1140 O GLY A 74 9.856 -18.763 -3.452 1.00 0.00 O ATOM 0 H GLY A 74 10.705 -17.308 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.910 -17.598 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.939 -18.793 -6.377 1.00 0.00 H new ATOM 1144 N LEU A 75 7.894 -19.708 -4.003 1.00 0.00 N ATOM 1145 CA LEU A 75 7.632 -20.377 -2.729 1.00 0.00 C ATOM 1146 C LEU A 75 8.788 -21.226 -2.212 1.00 0.00 C ATOM 1147 O LEU A 75 8.888 -21.415 -1.000 1.00 0.00 O ATOM 1148 CB LEU A 75 6.395 -21.273 -2.874 1.00 0.00 C ATOM 1149 CG LEU A 75 5.094 -20.470 -2.965 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.011 -21.338 -3.592 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.625 -19.975 -1.593 1.00 0.00 C ATOM 0 H LEU A 75 7.199 -19.928 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 75 7.479 -19.581 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.500 -21.890 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.340 -21.951 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 75 5.285 -19.593 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.083 -20.770 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.322 -21.643 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.852 -22.223 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.699 -19.411 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.451 -20.829 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.390 -19.333 -1.157 1.00 0.00 H new ATOM 1163 N LYS A 76 9.645 -21.750 -3.091 1.00 0.00 N ATOM 1164 CA LYS A 76 10.794 -22.566 -2.693 1.00 0.00 C ATOM 1165 C LYS A 76 12.047 -21.718 -2.429 1.00 0.00 C ATOM 1166 O LYS A 76 13.129 -22.271 -2.229 1.00 0.00 O ATOM 1167 CB LYS A 76 11.001 -23.692 -3.726 1.00 0.00 C ATOM 1168 CG LYS A 76 9.780 -24.627 -3.873 1.00 0.00 C ATOM 1169 CD LYS A 76 9.385 -25.332 -2.560 1.00 0.00 C ATOM 1170 CE LYS A 76 8.233 -26.334 -2.733 1.00 0.00 C ATOM 1171 NZ LYS A 76 6.908 -25.682 -2.898 1.00 0.00 N ATOM 0 H LYS A 76 9.562 -21.620 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 76 10.588 -23.039 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.227 -23.248 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.869 -24.284 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.930 -24.048 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.998 -25.381 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.254 -25.854 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.097 -24.581 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.433 -26.961 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.201 -26.993 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.190 -26.404 -3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.652 -25.188 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.953 -24.997 -3.679 1.00 0.00 H new ATOM 1185 N ASP A 77 11.905 -20.392 -2.380 1.00 0.00 N ATOM 1186 CA ASP A 77 12.936 -19.434 -1.972 1.00 0.00 C ATOM 1187 C ASP A 77 12.399 -18.452 -0.918 1.00 0.00 C ATOM 1188 O ASP A 77 13.155 -18.008 -0.053 1.00 0.00 O ATOM 1189 CB ASP A 77 13.443 -18.668 -3.200 1.00 0.00 C ATOM 1190 CG ASP A 77 14.489 -17.613 -2.806 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.640 -17.987 -2.488 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.178 -16.402 -2.849 1.00 0.00 O ATOM 0 H ASP A 77 11.029 -19.936 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 77 13.761 -19.987 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.879 -19.367 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.605 -18.183 -3.701 1.00 0.00 H new ATOM 1197 N ILE A 78 11.094 -18.153 -0.945 1.00 0.00 N ATOM 1198 CA ILE A 78 10.381 -17.400 0.089 1.00 0.00 C ATOM 1199 C ILE A 78 10.531 -18.134 1.437 1.00 0.00 C ATOM 1200 O ILE A 78 10.572 -19.367 1.486 1.00 0.00 O ATOM 1201 CB ILE A 78 8.901 -17.203 -0.349 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.817 -16.267 -1.579 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.012 -16.641 0.775 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.442 -16.222 -2.258 1.00 0.00 C ATOM 0 H ILE A 78 10.487 -18.439 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 78 10.804 -16.404 0.220 1.00 0.00 H new ATOM 0 HB ILE A 78 8.526 -18.194 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.087 -15.257 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.559 -16.585 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.992 -16.526 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.018 -17.328 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.396 -15.671 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.478 -15.541 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.174 -17.220 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.695 -15.872 -1.545 1.00 0.00 H new ATOM 1216 N ALA A 79 10.569 -17.367 2.533 1.00 0.00 N ATOM 1217 CA ALA A 79 10.727 -17.847 3.904 1.00 0.00 C ATOM 1218 C ALA A 79 9.716 -17.111 4.796 1.00 0.00 C ATOM 1219 O ALA A 79 10.083 -16.354 5.698 1.00 0.00 O ATOM 1220 CB ALA A 79 12.187 -17.664 4.349 1.00 0.00 C ATOM 0 H ALA A 79 10.487 -16.352 2.482 1.00 0.00 H new ATOM 0 HA ALA A 79 10.516 -18.913 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.303 -18.022 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.843 -18.232 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.452 -16.608 4.302 1.00 0.00 H new ATOM 1226 N MET A 80 8.430 -17.282 4.479 1.00 0.00 N ATOM 1227 CA MET A 80 7.286 -16.606 5.094 1.00 0.00 C ATOM 1228 C MET A 80 6.148 -17.625 5.266 1.00 0.00 C ATOM 1229 O MET A 80 6.192 -18.678 4.619 1.00 0.00 O ATOM 1230 CB MET A 80 6.851 -15.432 4.194 1.00 0.00 C ATOM 1231 CG MET A 80 7.809 -14.243 4.329 1.00 0.00 C ATOM 1232 SD MET A 80 7.378 -12.774 3.357 1.00 0.00 S ATOM 1233 CE MET A 80 5.809 -12.287 4.132 1.00 0.00 C ATOM 0 H MET A 80 8.144 -17.931 3.746 1.00 0.00 H new ATOM 0 HA MET A 80 7.551 -16.207 6.073 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.819 -15.760 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.841 -15.121 4.461 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.861 -13.959 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.807 -14.569 4.038 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.520 -11.297 3.778 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.034 -13.007 3.868 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.930 -12.264 5.215 1.00 0.00 H new ATOM 1243 N PRO A 81 5.144 -17.355 6.126 1.00 0.00 N ATOM 1244 CA PRO A 81 4.073 -18.305 6.410 1.00 0.00 C ATOM 1245 C PRO A 81 3.274 -18.674 5.157 1.00 0.00 C ATOM 1246 O PRO A 81 3.115 -17.878 4.224 1.00 0.00 O ATOM 1247 CB PRO A 81 3.201 -17.666 7.499 1.00 0.00 C ATOM 1248 CG PRO A 81 3.539 -16.180 7.420 1.00 0.00 C ATOM 1249 CD PRO A 81 5.002 -16.186 6.986 1.00 0.00 C ATOM 0 HA PRO A 81 4.482 -19.254 6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.141 -17.844 7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.429 -18.075 8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.906 -15.659 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.405 -15.683 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.257 -15.271 6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.667 -16.248 7.847 1.00 0.00 H new ATOM 1257 N LYS A 82 2.730 -19.891 5.168 1.00 0.00 N ATOM 1258 CA LYS A 82 2.099 -20.535 4.023 1.00 0.00 C ATOM 1259 C LYS A 82 0.740 -21.086 4.421 1.00 0.00 C ATOM 1260 O LYS A 82 0.464 -21.324 5.598 1.00 0.00 O ATOM 1261 CB LYS A 82 2.999 -21.684 3.516 1.00 0.00 C ATOM 1262 CG LYS A 82 4.073 -21.188 2.543 1.00 0.00 C ATOM 1263 CD LYS A 82 5.162 -22.242 2.297 1.00 0.00 C ATOM 1264 CE LYS A 82 6.272 -21.654 1.412 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.203 -22.690 0.903 1.00 0.00 N ATOM 0 H LYS A 82 2.718 -20.473 6.005 1.00 0.00 H new ATOM 0 HA LYS A 82 1.965 -19.801 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.477 -22.171 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.383 -22.436 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.607 -20.921 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.530 -20.281 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.580 -22.573 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.729 -23.119 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.821 -21.130 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.834 -20.915 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.881 -22.255 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.718 -23.115 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.664 -23.428 0.406 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.069 -21.345 3.405 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.313 -22.087 3.468 1.00 0.00 C ATOM 1281 C VAL A 83 -1.143 -23.160 2.393 1.00 0.00 C ATOM 1282 O VAL A 83 -0.508 -22.915 1.361 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.500 -21.135 3.220 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.846 -21.875 3.190 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.579 -20.042 4.301 1.00 0.00 C ATOM 0 H VAL A 83 0.140 -21.023 2.460 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.525 -22.542 4.435 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.318 -20.685 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.650 -21.161 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.836 -22.616 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.008 -22.374 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.427 -19.388 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.707 -20.506 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.660 -19.457 4.294 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.640 -24.368 2.651 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.371 -25.544 1.831 1.00 0.00 C ATOM 1297 C LYS A 84 -2.615 -26.422 1.758 1.00 0.00 C ATOM 1298 O LYS A 84 -3.523 -26.287 2.585 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.190 -26.337 2.426 1.00 0.00 C ATOM 1300 CG LYS A 84 1.172 -25.638 2.244 1.00 0.00 C ATOM 1301 CD LYS A 84 2.363 -26.512 2.669 1.00 0.00 C ATOM 1302 CE LYS A 84 2.464 -27.870 1.948 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.537 -27.748 0.469 1.00 0.00 N ATOM 0 H LYS A 84 -2.249 -24.558 3.447 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.108 -25.226 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.369 -26.497 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.150 -27.321 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.292 -25.356 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.180 -24.716 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.284 -25.955 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.298 -26.691 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.348 -28.398 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.600 -28.479 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.654 -28.692 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.660 -27.317 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.347 -27.150 0.210 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.642 -27.317 0.768 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.673 -28.336 0.625 1.00 0.00 C ATOM 1319 C GLY A 85 -3.750 -29.185 1.889 1.00 0.00 C ATOM 1320 O GLY A 85 -2.690 -29.634 2.373 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.870 -29.410 2.390 1.00 0.00 O ATOM 0 H GLY A 85 -1.935 -27.351 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.637 -27.865 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.453 -28.969 -0.235 1.00 0.00 H new TER 1325 GLY A 85