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 58 LYS NZ :NH3+ -167:sc= 0.779 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 79:sc= 1.93 USER MOD Set 2.1: A 48 CYS SG : rot -63:sc= 1.23 USER MOD Set 2.2: A 54 SER OG : rot 164:sc= 2.05 USER MOD Set 2.3: A 71 ASN : amide:sc= -0.309 X(o=3,f=3) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.264 X(o=1.4,f=1.8) USER MOD Set 3.2: A 67 THR OG1 : rot 167:sc= 0.0484 USER MOD Set 3.3: A 68 HIS : no HE2:sc= 1.06 K(o=1.4,f=-2.9!) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.09 (180deg=1.08) USER MOD Single : A 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 12 GLN : amide:sc= 0.52 K(o=0.52,f=-5.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.12) USER MOD Single : A 15 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.812 K(o=0.81,f=-2.7!) USER MOD Single : A 19 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.46) USER MOD Single : A 23 ASN : amide:sc= 1.79 K(o=1.8,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.32 (180deg=1.01) USER MOD Single : A 35 THR OG1 : rot 26:sc= 0.439 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.17 (180deg=1.12) USER MOD Single : A 43 THR OG1 : rot 100:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.25) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.26 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.94 K(o=0.94,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= 0.795 K(o=0.79,f=-4.8!) USER MOD Single : A 64 MET CE :methyl 176:sc= 0 (180deg=-0.0407) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 145:sc=-0.00514 (180deg=-0.195) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 1.91 (180deg=0.972) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.704 1.455 -0.973 1.00 0.00 N ATOM 2 CA ALA A 1 -0.760 0.902 -1.964 1.00 0.00 C ATOM 3 C ALA A 1 -0.080 2.058 -2.710 1.00 0.00 C ATOM 4 O ALA A 1 -0.055 3.195 -2.227 1.00 0.00 O ATOM 5 CB ALA A 1 -1.470 -0.098 -2.902 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.230 0.678 -0.523 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.177 1.982 -0.248 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.372 2.095 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 1 0.021 0.331 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.754 -0.492 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.882 -0.919 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.276 0.409 -3.431 1.00 0.00 H new ATOM 13 N GLU A 2 0.509 1.778 -3.874 1.00 0.00 N ATOM 14 CA GLU A 2 1.099 2.770 -4.759 1.00 0.00 C ATOM 15 C GLU A 2 0.779 2.381 -6.199 1.00 0.00 C ATOM 16 O GLU A 2 0.710 1.193 -6.532 1.00 0.00 O ATOM 17 CB GLU A 2 2.628 2.837 -4.576 1.00 0.00 C ATOM 18 CG GLU A 2 3.087 3.382 -3.217 1.00 0.00 C ATOM 19 CD GLU A 2 4.620 3.353 -3.098 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.287 4.284 -3.601 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.167 2.413 -2.475 1.00 0.00 O ATOM 0 H GLU A 2 0.588 0.826 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 2 0.686 3.750 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.041 1.837 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.048 3.463 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.729 4.404 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.646 2.789 -2.416 1.00 0.00 H new ATOM 28 N HIS A 3 0.645 3.396 -7.049 1.00 0.00 N ATOM 29 CA HIS A 3 0.554 3.299 -8.494 1.00 0.00 C ATOM 30 C HIS A 3 1.429 4.414 -9.067 1.00 0.00 C ATOM 31 O HIS A 3 1.667 5.430 -8.404 1.00 0.00 O ATOM 32 CB HIS A 3 -0.906 3.452 -8.951 1.00 0.00 C ATOM 33 CG HIS A 3 -1.750 2.224 -8.707 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.495 1.937 -7.584 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.928 1.182 -9.579 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.098 0.754 -7.773 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.785 0.247 -8.981 1.00 0.00 N ATOM 0 H HIS A 3 0.595 4.361 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 3 0.896 2.326 -8.846 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.353 4.299 -8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.922 3.687 -10.015 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.574 2.523 -6.753 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.484 1.096 -10.560 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.746 0.274 -7.055 1.00 0.00 H new ATOM 45 N TRP A 4 1.877 4.234 -10.308 1.00 0.00 N ATOM 46 CA TRP A 4 2.734 5.164 -11.024 1.00 0.00 C ATOM 47 C TRP A 4 2.070 5.410 -12.370 1.00 0.00 C ATOM 48 O TRP A 4 1.571 4.465 -12.983 1.00 0.00 O ATOM 49 CB TRP A 4 4.136 4.567 -11.213 1.00 0.00 C ATOM 50 CG TRP A 4 4.933 4.345 -9.963 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.927 5.144 -9.515 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.842 3.250 -8.998 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.445 4.634 -8.344 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.798 3.477 -7.963 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.053 2.083 -8.894 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.947 2.606 -6.873 1.00 0.00 C ATOM 57 CZ3 TRP A 4 4.188 1.205 -7.801 1.00 0.00 C ATOM 58 CH2 TRP A 4 5.131 1.466 -6.790 1.00 0.00 C ATOM 0 H TRP A 4 1.643 3.407 -10.857 1.00 0.00 H new ATOM 0 HA TRP A 4 2.856 6.095 -10.470 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.035 3.613 -11.730 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.704 5.226 -11.869 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.265 6.047 -10.002 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.212 5.060 -7.823 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.333 1.860 -9.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.681 2.810 -6.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.564 0.326 -7.739 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.227 0.791 -5.952 1.00 0.00 H new ATOM 69 N ILE A 5 2.071 6.651 -12.844 1.00 0.00 N ATOM 70 CA ILE A 5 1.370 7.033 -14.058 1.00 0.00 C ATOM 71 C ILE A 5 2.355 7.824 -14.912 1.00 0.00 C ATOM 72 O ILE A 5 2.895 8.845 -14.474 1.00 0.00 O ATOM 73 CB ILE A 5 0.100 7.864 -13.749 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.753 7.405 -12.541 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.773 7.929 -15.009 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.495 6.069 -12.689 1.00 0.00 C ATOM 0 H ILE A 5 2.562 7.422 -12.392 1.00 0.00 H new ATOM 0 HA ILE A 5 1.025 6.146 -14.590 1.00 0.00 H new ATOM 0 HB ILE A 5 0.472 8.844 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.101 7.337 -11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.488 8.181 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.670 8.512 -14.801 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.213 8.401 -15.816 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.058 6.920 -15.307 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.055 5.861 -11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.183 6.127 -13.532 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.774 5.270 -12.863 1.00 0.00 H new ATOM 88 N ASP A 6 2.598 7.326 -16.121 1.00 0.00 N ATOM 89 CA ASP A 6 3.275 8.073 -17.165 1.00 0.00 C ATOM 90 C ASP A 6 2.196 8.956 -17.775 1.00 0.00 C ATOM 91 O ASP A 6 1.279 8.444 -18.422 1.00 0.00 O ATOM 92 CB ASP A 6 3.837 7.129 -18.235 1.00 0.00 C ATOM 93 CG ASP A 6 4.089 7.836 -19.578 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.331 9.063 -19.611 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.028 7.130 -20.607 1.00 0.00 O ATOM 0 H ASP A 6 2.326 6.384 -16.402 1.00 0.00 H new ATOM 0 HA ASP A 6 4.115 8.644 -16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.771 6.695 -17.877 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.141 6.305 -18.388 1.00 0.00 H new ATOM 100 N VAL A 7 2.287 10.263 -17.551 1.00 0.00 N ATOM 101 CA VAL A 7 1.276 11.207 -18.038 1.00 0.00 C ATOM 102 C VAL A 7 1.693 11.916 -19.334 1.00 0.00 C ATOM 103 O VAL A 7 1.148 12.973 -19.657 1.00 0.00 O ATOM 104 CB VAL A 7 0.760 12.139 -16.921 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.253 11.356 -15.699 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.821 13.144 -16.461 1.00 0.00 C ATOM 0 H VAL A 7 3.051 10.698 -17.034 1.00 0.00 H new ATOM 0 HA VAL A 7 0.405 10.621 -18.332 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.073 12.685 -17.365 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.100 12.054 -14.940 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.566 10.703 -16.000 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.065 10.755 -15.290 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.407 13.775 -15.675 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.688 12.607 -16.077 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.123 13.765 -17.304 1.00 0.00 H new ATOM 116 N ARG A 8 2.628 11.358 -20.110 1.00 0.00 N ATOM 117 CA ARG A 8 3.058 11.936 -21.383 1.00 0.00 C ATOM 118 C ARG A 8 2.605 11.057 -22.546 1.00 0.00 C ATOM 119 O ARG A 8 1.810 10.133 -22.371 1.00 0.00 O ATOM 120 CB ARG A 8 4.581 12.157 -21.370 1.00 0.00 C ATOM 121 CG ARG A 8 4.927 13.513 -22.000 1.00 0.00 C ATOM 122 CD ARG A 8 6.425 13.651 -22.264 1.00 0.00 C ATOM 123 NE ARG A 8 6.729 15.015 -22.728 1.00 0.00 N ATOM 124 CZ ARG A 8 7.583 15.391 -23.686 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.319 14.497 -24.344 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.696 16.683 -23.970 1.00 0.00 N ATOM 0 H ARG A 8 3.108 10.490 -19.870 1.00 0.00 H new ATOM 0 HA ARG A 8 2.588 12.910 -21.521 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.952 12.119 -20.346 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.076 11.356 -21.919 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.381 13.629 -22.936 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.599 14.315 -21.339 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.985 13.434 -21.354 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.740 12.924 -23.013 1.00 0.00 H new ATOM 0 HE ARG A 8 6.225 15.768 -22.260 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.237 13.505 -24.120 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.965 14.804 -25.071 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.137 17.368 -23.461 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.342 16.991 -24.697 1.00 0.00 H new ATOM 140 N VAL A 9 3.065 11.380 -23.753 1.00 0.00 N ATOM 141 CA VAL A 9 2.735 10.629 -24.958 1.00 0.00 C ATOM 142 C VAL A 9 3.354 9.219 -24.892 1.00 0.00 C ATOM 143 O VAL A 9 4.420 9.054 -24.290 1.00 0.00 O ATOM 144 CB VAL A 9 3.201 11.409 -26.208 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.296 12.626 -26.446 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.664 11.886 -26.125 1.00 0.00 C ATOM 0 H VAL A 9 3.681 12.175 -23.921 1.00 0.00 H new ATOM 0 HA VAL A 9 1.654 10.507 -25.028 1.00 0.00 H new ATOM 0 HB VAL A 9 3.133 10.707 -27.039 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.637 13.165 -27.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.270 12.292 -26.598 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.338 13.286 -25.579 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.923 12.426 -27.036 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.783 12.546 -25.266 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.322 11.024 -26.015 1.00 0.00 H new ATOM 156 N PRO A 10 2.759 8.213 -25.563 1.00 0.00 N ATOM 157 CA PRO A 10 3.340 6.877 -25.703 1.00 0.00 C ATOM 158 C PRO A 10 4.774 6.852 -26.244 1.00 0.00 C ATOM 159 O PRO A 10 5.469 5.857 -26.055 1.00 0.00 O ATOM 160 CB PRO A 10 2.407 6.111 -26.647 1.00 0.00 C ATOM 161 CG PRO A 10 1.061 6.798 -26.450 1.00 0.00 C ATOM 162 CD PRO A 10 1.445 8.253 -26.194 1.00 0.00 C ATOM 0 HA PRO A 10 3.420 6.427 -24.713 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.743 6.175 -27.682 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.359 5.052 -26.392 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.426 6.698 -27.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.511 6.373 -25.610 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.476 8.819 -27.125 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.716 8.742 -25.548 1.00 0.00 H new ATOM 170 N GLU A 11 5.238 7.919 -26.904 1.00 0.00 N ATOM 171 CA GLU A 11 6.587 7.992 -27.457 1.00 0.00 C ATOM 172 C GLU A 11 7.665 7.830 -26.376 1.00 0.00 C ATOM 173 O GLU A 11 8.738 7.314 -26.694 1.00 0.00 O ATOM 174 CB GLU A 11 6.790 9.301 -28.237 1.00 0.00 C ATOM 175 CG GLU A 11 5.828 9.432 -29.427 1.00 0.00 C ATOM 176 CD GLU A 11 6.151 10.667 -30.287 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.010 10.577 -31.194 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.534 11.737 -30.084 1.00 0.00 O ATOM 0 H GLU A 11 4.682 8.758 -27.068 1.00 0.00 H new ATOM 0 HA GLU A 11 6.695 7.156 -28.148 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.648 10.147 -27.564 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.817 9.350 -28.598 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.886 8.534 -30.043 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.804 9.501 -29.061 1.00 0.00 H new ATOM 185 N GLN A 12 7.410 8.217 -25.113 1.00 0.00 N ATOM 186 CA GLN A 12 8.332 7.851 -24.035 1.00 0.00 C ATOM 187 C GLN A 12 8.109 6.386 -23.651 1.00 0.00 C ATOM 188 O GLN A 12 9.068 5.624 -23.573 1.00 0.00 O ATOM 189 CB GLN A 12 8.282 8.803 -22.819 1.00 0.00 C ATOM 190 CG GLN A 12 7.004 8.824 -21.963 1.00 0.00 C ATOM 191 CD GLN A 12 7.248 9.534 -20.633 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.318 10.759 -20.575 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.437 8.793 -19.548 1.00 0.00 N ATOM 0 H GLN A 12 6.600 8.765 -24.824 1.00 0.00 H new ATOM 0 HA GLN A 12 9.347 7.965 -24.415 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.117 8.551 -22.165 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.456 9.816 -23.182 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.206 9.328 -22.507 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.669 7.803 -21.778 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.377 7.777 -19.608 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.643 9.240 -18.655 1.00 0.00 H new ATOM 202 N TYR A 13 6.849 5.974 -23.479 1.00 0.00 N ATOM 203 CA TYR A 13 6.479 4.674 -22.932 1.00 0.00 C ATOM 204 C TYR A 13 7.094 3.526 -23.729 1.00 0.00 C ATOM 205 O TYR A 13 7.575 2.551 -23.147 1.00 0.00 O ATOM 206 CB TYR A 13 4.949 4.560 -22.904 1.00 0.00 C ATOM 207 CG TYR A 13 4.411 3.436 -22.041 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.267 3.627 -20.653 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.007 2.220 -22.627 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.700 2.621 -19.853 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.438 1.208 -21.833 1.00 0.00 C ATOM 212 CZ TYR A 13 3.272 1.409 -20.442 1.00 0.00 C ATOM 213 OH TYR A 13 2.676 0.457 -19.669 1.00 0.00 O ATOM 0 H TYR A 13 6.044 6.551 -23.723 1.00 0.00 H new ATOM 0 HA TYR A 13 6.872 4.599 -21.918 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.535 5.503 -22.547 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.590 4.420 -23.924 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.594 4.552 -20.201 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.135 2.065 -23.688 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.591 2.773 -18.789 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.128 0.277 -22.285 1.00 0.00 H new ATOM 0 HH TYR A 13 2.440 -0.315 -20.225 1.00 0.00 H new ATOM 223 N GLN A 14 7.095 3.665 -25.058 1.00 0.00 N ATOM 224 CA GLN A 14 7.646 2.687 -25.978 1.00 0.00 C ATOM 225 C GLN A 14 9.150 2.502 -25.761 1.00 0.00 C ATOM 226 O GLN A 14 9.602 1.359 -25.693 1.00 0.00 O ATOM 227 CB GLN A 14 7.347 3.125 -27.423 1.00 0.00 C ATOM 228 CG GLN A 14 5.867 2.961 -27.814 1.00 0.00 C ATOM 229 CD GLN A 14 5.383 1.508 -27.763 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.036 0.592 -28.258 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.235 1.254 -27.152 1.00 0.00 N ATOM 0 H GLN A 14 6.702 4.481 -25.527 1.00 0.00 H new ATOM 0 HA GLN A 14 7.175 1.722 -25.790 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.635 4.169 -27.546 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.963 2.542 -28.107 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.253 3.565 -27.146 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.719 3.351 -28.821 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.696 2.017 -26.742 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.891 0.296 -27.091 1.00 0.00 H new ATOM 240 N GLN A 15 9.924 3.589 -25.648 1.00 0.00 N ATOM 241 CA GLN A 15 11.376 3.481 -25.537 1.00 0.00 C ATOM 242 C GLN A 15 11.778 3.067 -24.119 1.00 0.00 C ATOM 243 O GLN A 15 12.532 2.104 -23.980 1.00 0.00 O ATOM 244 CB GLN A 15 12.092 4.744 -26.054 1.00 0.00 C ATOM 245 CG GLN A 15 11.731 6.062 -25.356 1.00 0.00 C ATOM 246 CD GLN A 15 12.334 7.267 -26.076 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.535 7.522 -26.011 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.517 8.032 -26.782 1.00 0.00 N ATOM 0 H GLN A 15 9.568 4.545 -25.632 1.00 0.00 H new ATOM 0 HA GLN A 15 11.718 2.683 -26.196 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.167 4.590 -25.961 1.00 0.00 H new ATOM 0 HB3 GLN A 15 11.876 4.849 -27.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.647 6.167 -25.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.087 6.038 -24.326 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.523 7.810 -26.828 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.882 8.844 -27.280 1.00 0.00 H new ATOM 257 N GLU A 16 11.243 3.713 -23.075 1.00 0.00 N ATOM 258 CA GLU A 16 11.375 3.261 -21.693 1.00 0.00 C ATOM 259 C GLU A 16 10.346 3.968 -20.805 1.00 0.00 C ATOM 260 O GLU A 16 10.099 5.167 -20.948 1.00 0.00 O ATOM 261 CB GLU A 16 12.809 3.441 -21.145 1.00 0.00 C ATOM 262 CG GLU A 16 13.253 4.893 -20.904 1.00 0.00 C ATOM 263 CD GLU A 16 14.785 5.003 -20.793 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.358 4.603 -19.756 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.432 5.506 -21.740 1.00 0.00 O ATOM 0 H GLU A 16 10.702 4.572 -23.172 1.00 0.00 H new ATOM 0 HA GLU A 16 11.175 2.190 -21.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.890 2.895 -20.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.506 2.979 -21.844 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.900 5.523 -21.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.793 5.268 -19.990 1.00 0.00 H new ATOM 272 N HIS A 17 9.794 3.242 -19.837 1.00 0.00 N ATOM 273 CA HIS A 17 8.948 3.771 -18.779 1.00 0.00 C ATOM 274 C HIS A 17 9.389 3.147 -17.460 1.00 0.00 C ATOM 275 O HIS A 17 9.980 2.064 -17.440 1.00 0.00 O ATOM 276 CB HIS A 17 7.464 3.496 -19.070 1.00 0.00 C ATOM 277 CG HIS A 17 7.104 2.049 -19.315 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.125 1.386 -20.523 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.619 1.168 -18.383 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.676 0.137 -20.315 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.350 -0.048 -19.023 1.00 0.00 N ATOM 0 H HIS A 17 9.930 2.233 -19.768 1.00 0.00 H new ATOM 0 HA HIS A 17 9.055 4.854 -18.720 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.874 3.861 -18.230 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.170 4.078 -19.943 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.428 1.775 -21.416 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.470 1.376 -17.334 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.588 -0.618 -21.083 1.00 0.00 H new ATOM 289 N VAL A 18 9.111 3.846 -16.361 1.00 0.00 N ATOM 290 CA VAL A 18 9.376 3.383 -15.006 1.00 0.00 C ATOM 291 C VAL A 18 8.637 2.058 -14.809 1.00 0.00 C ATOM 292 O VAL A 18 7.449 1.955 -15.124 1.00 0.00 O ATOM 293 CB VAL A 18 8.943 4.489 -14.020 1.00 0.00 C ATOM 294 CG1 VAL A 18 9.010 4.038 -12.555 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.834 5.730 -14.195 1.00 0.00 C ATOM 0 H VAL A 18 8.685 4.772 -16.392 1.00 0.00 H new ATOM 0 HA VAL A 18 10.434 3.195 -14.824 1.00 0.00 H new ATOM 0 HB VAL A 18 7.904 4.723 -14.253 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.695 4.856 -11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.350 3.183 -12.407 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.033 3.754 -12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.521 6.505 -13.495 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.872 5.463 -13.999 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.741 6.104 -15.215 1.00 0.00 H new ATOM 305 N GLN A 19 9.339 1.039 -14.310 1.00 0.00 N ATOM 306 CA GLN A 19 8.762 -0.273 -14.068 1.00 0.00 C ATOM 307 C GLN A 19 7.653 -0.108 -13.018 1.00 0.00 C ATOM 308 O GLN A 19 7.926 0.280 -11.880 1.00 0.00 O ATOM 309 CB GLN A 19 9.876 -1.256 -13.650 1.00 0.00 C ATOM 310 CG GLN A 19 9.532 -2.735 -13.891 1.00 0.00 C ATOM 311 CD GLN A 19 8.309 -3.209 -13.104 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.369 -3.430 -11.898 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.167 -3.346 -13.761 1.00 0.00 N ATOM 0 H GLN A 19 10.326 1.107 -14.063 1.00 0.00 H new ATOM 0 HA GLN A 19 8.310 -0.698 -14.965 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.786 -1.012 -14.199 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.094 -1.113 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.353 -2.890 -14.955 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.390 -3.349 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.130 -3.159 -14.763 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.325 -3.638 -13.265 1.00 0.00 H new ATOM 322 N GLY A 20 6.407 -0.363 -13.424 1.00 0.00 N ATOM 323 CA GLY A 20 5.214 -0.229 -12.593 1.00 0.00 C ATOM 324 C GLY A 20 4.273 0.858 -13.115 1.00 0.00 C ATOM 325 O GLY A 20 3.127 0.929 -12.667 1.00 0.00 O ATOM 0 H GLY A 20 6.197 -0.678 -14.371 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.685 -1.182 -12.561 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.509 0.007 -11.570 1.00 0.00 H new ATOM 329 N ALA A 21 4.734 1.704 -14.045 1.00 0.00 N ATOM 330 CA ALA A 21 3.914 2.759 -14.630 1.00 0.00 C ATOM 331 C ALA A 21 2.982 2.218 -15.707 1.00 0.00 C ATOM 332 O ALA A 21 3.191 1.134 -16.257 1.00 0.00 O ATOM 333 CB ALA A 21 4.790 3.884 -15.196 1.00 0.00 C ATOM 0 H ALA A 21 5.686 1.672 -14.409 1.00 0.00 H new ATOM 0 HA ALA A 21 3.296 3.168 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.155 4.658 -15.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.393 4.313 -14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.445 3.481 -15.968 1.00 0.00 H new ATOM 339 N ILE A 22 1.990 3.042 -16.038 1.00 0.00 N ATOM 340 CA ILE A 22 1.004 2.832 -17.084 1.00 0.00 C ATOM 341 C ILE A 22 0.811 4.178 -17.792 1.00 0.00 C ATOM 342 O ILE A 22 0.853 5.227 -17.142 1.00 0.00 O ATOM 343 CB ILE A 22 -0.305 2.267 -16.479 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.852 3.102 -15.293 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.104 0.793 -16.079 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.183 2.595 -14.729 1.00 0.00 C ATOM 0 H ILE A 22 1.849 3.927 -15.550 1.00 0.00 H new ATOM 0 HA ILE A 22 1.333 2.092 -17.814 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.067 2.332 -17.255 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.110 3.107 -14.494 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.978 4.135 -15.618 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.029 0.402 -15.654 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.165 0.210 -16.960 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.694 0.722 -15.339 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.495 3.234 -13.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.942 2.616 -15.511 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.061 1.573 -14.370 1.00 0.00 H new ATOM 358 N ASN A 23 0.662 4.160 -19.119 1.00 0.00 N ATOM 359 CA ASN A 23 0.546 5.376 -19.922 1.00 0.00 C ATOM 360 C ASN A 23 -0.882 5.910 -19.840 1.00 0.00 C ATOM 361 O ASN A 23 -1.808 5.263 -20.338 1.00 0.00 O ATOM 362 CB ASN A 23 0.929 5.111 -21.385 1.00 0.00 C ATOM 363 CG ASN A 23 0.762 6.387 -22.203 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.208 6.546 -22.934 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.679 7.326 -22.067 1.00 0.00 N ATOM 0 H ASN A 23 0.619 3.300 -19.666 1.00 0.00 H new ATOM 0 HA ASN A 23 1.236 6.120 -19.524 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.961 4.764 -21.443 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.302 4.320 -21.797 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.588 8.205 -22.576 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.479 7.173 -21.453 1.00 0.00 H new ATOM 372 N ILE A 24 -1.059 7.085 -19.239 1.00 0.00 N ATOM 373 CA ILE A 24 -2.330 7.799 -19.142 1.00 0.00 C ATOM 374 C ILE A 24 -2.022 9.292 -19.366 1.00 0.00 C ATOM 375 O ILE A 24 -1.803 10.011 -18.391 1.00 0.00 O ATOM 376 CB ILE A 24 -3.053 7.537 -17.796 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.131 6.041 -17.415 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.461 8.143 -17.888 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.939 5.756 -16.143 1.00 0.00 C ATOM 0 H ILE A 24 -0.292 7.585 -18.789 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.026 7.440 -19.900 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.471 8.007 -17.003 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.574 5.489 -18.244 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.119 5.658 -17.282 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.992 7.972 -16.952 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.385 9.215 -18.072 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.007 7.673 -18.706 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.944 4.684 -15.948 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.486 6.277 -15.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.963 6.105 -16.277 1.00 0.00 H new ATOM 391 N PRO A 25 -1.933 9.759 -20.627 1.00 0.00 N ATOM 392 CA PRO A 25 -1.500 11.110 -20.969 1.00 0.00 C ATOM 393 C PRO A 25 -2.273 12.203 -20.224 1.00 0.00 C ATOM 394 O PRO A 25 -3.451 12.035 -19.906 1.00 0.00 O ATOM 395 CB PRO A 25 -1.686 11.242 -22.485 1.00 0.00 C ATOM 396 CG PRO A 25 -1.597 9.802 -22.980 1.00 0.00 C ATOM 397 CD PRO A 25 -2.242 9.021 -21.840 1.00 0.00 C ATOM 0 HA PRO A 25 -0.462 11.252 -20.667 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.646 11.694 -22.734 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.914 11.869 -22.931 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.130 9.662 -23.920 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.565 9.494 -23.150 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.319 8.939 -21.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.849 8.006 -21.790 1.00 0.00 H new ATOM 405 N LEU A 26 -1.639 13.364 -20.037 1.00 0.00 N ATOM 406 CA LEU A 26 -2.210 14.542 -19.379 1.00 0.00 C ATOM 407 C LEU A 26 -3.584 14.925 -19.946 1.00 0.00 C ATOM 408 O LEU A 26 -4.463 15.347 -19.197 1.00 0.00 O ATOM 409 CB LEU A 26 -1.208 15.707 -19.523 1.00 0.00 C ATOM 410 CG LEU A 26 -1.655 17.028 -18.862 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.754 16.886 -17.342 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.659 18.145 -19.188 1.00 0.00 C ATOM 0 H LEU A 26 -0.680 13.515 -20.351 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.376 14.311 -18.327 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.255 15.404 -19.090 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.033 15.888 -20.583 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.640 17.275 -19.259 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.071 17.834 -16.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.482 16.113 -17.095 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.780 16.610 -16.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.985 19.072 -18.716 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.328 17.874 -18.812 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.610 18.285 -20.268 1.00 0.00 H new ATOM 424 N LYS A 27 -3.787 14.749 -21.257 1.00 0.00 N ATOM 425 CA LYS A 27 -5.049 15.062 -21.933 1.00 0.00 C ATOM 426 C LYS A 27 -6.206 14.156 -21.493 1.00 0.00 C ATOM 427 O LYS A 27 -7.359 14.485 -21.772 1.00 0.00 O ATOM 428 CB LYS A 27 -4.866 14.977 -23.459 1.00 0.00 C ATOM 429 CG LYS A 27 -3.822 15.980 -23.983 1.00 0.00 C ATOM 430 CD LYS A 27 -3.764 16.045 -25.517 1.00 0.00 C ATOM 431 CE LYS A 27 -3.301 14.720 -26.143 1.00 0.00 C ATOM 432 NZ LYS A 27 -3.201 14.805 -27.622 1.00 0.00 N ATOM 0 H LYS A 27 -3.071 14.381 -21.884 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.316 16.079 -21.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.562 13.966 -23.730 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.822 15.164 -23.948 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.051 16.971 -23.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.839 15.706 -23.600 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.750 16.302 -25.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.085 16.843 -25.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.331 14.444 -25.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.000 13.928 -25.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.886 13.890 -28.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.132 15.043 -28.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.515 15.542 -27.882 1.00 0.00 H new ATOM 446 N GLU A 28 -5.930 13.029 -20.832 1.00 0.00 N ATOM 447 CA GLU A 28 -6.909 11.982 -20.545 1.00 0.00 C ATOM 448 C GLU A 28 -6.916 11.589 -19.063 1.00 0.00 C ATOM 449 O GLU A 28 -7.896 11.007 -18.595 1.00 0.00 O ATOM 450 CB GLU A 28 -6.608 10.740 -21.395 1.00 0.00 C ATOM 451 CG GLU A 28 -6.459 10.997 -22.903 1.00 0.00 C ATOM 452 CD GLU A 28 -6.360 9.684 -23.702 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.717 8.720 -23.228 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.923 9.615 -24.820 1.00 0.00 O ATOM 0 H GLU A 28 -4.999 12.816 -20.474 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.893 12.381 -20.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.689 10.283 -21.028 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.407 10.014 -21.244 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.312 11.575 -23.259 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.568 11.599 -23.082 1.00 0.00 H new ATOM 461 N VAL A 29 -5.856 11.912 -18.310 1.00 0.00 N ATOM 462 CA VAL A 29 -5.710 11.600 -16.889 1.00 0.00 C ATOM 463 C VAL A 29 -6.942 12.033 -16.075 1.00 0.00 C ATOM 464 O VAL A 29 -7.331 11.321 -15.153 1.00 0.00 O ATOM 465 CB VAL A 29 -4.358 12.170 -16.368 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.407 13.662 -16.006 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.849 11.364 -15.166 1.00 0.00 C ATOM 0 H VAL A 29 -5.053 12.414 -18.689 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.670 10.519 -16.753 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.664 12.073 -17.203 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.427 13.983 -15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.682 14.241 -16.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.147 13.822 -15.222 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.903 11.783 -14.821 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.582 11.410 -14.360 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.700 10.325 -15.461 1.00 0.00 H new ATOM 477 N LYS A 30 -7.603 13.141 -16.448 1.00 0.00 N ATOM 478 CA LYS A 30 -8.777 13.673 -15.749 1.00 0.00 C ATOM 479 C LYS A 30 -10.002 12.748 -15.823 1.00 0.00 C ATOM 480 O LYS A 30 -10.976 12.969 -15.107 1.00 0.00 O ATOM 481 CB LYS A 30 -9.095 15.088 -16.276 1.00 0.00 C ATOM 482 CG LYS A 30 -9.942 15.902 -15.280 1.00 0.00 C ATOM 483 CD LYS A 30 -9.932 17.408 -15.585 1.00 0.00 C ATOM 484 CE LYS A 30 -10.492 18.170 -14.374 1.00 0.00 C ATOM 485 NZ LYS A 30 -10.431 19.641 -14.544 1.00 0.00 N ATOM 0 H LYS A 30 -7.330 13.699 -17.257 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.529 13.731 -14.689 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.163 15.617 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.627 15.010 -17.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.969 15.538 -15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.566 15.737 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.917 17.741 -15.802 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.532 17.616 -16.471 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.527 17.870 -14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.932 17.888 -13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.474 20.100 -13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.541 19.899 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.235 19.957 -15.123 1.00 0.00 H new ATOM 499 N GLU A 31 -9.985 11.718 -16.669 1.00 0.00 N ATOM 500 CA GLU A 31 -11.071 10.765 -16.813 1.00 0.00 C ATOM 501 C GLU A 31 -10.527 9.363 -16.529 1.00 0.00 C ATOM 502 O GLU A 31 -11.033 8.663 -15.652 1.00 0.00 O ATOM 503 CB GLU A 31 -11.621 10.919 -18.241 1.00 0.00 C ATOM 504 CG GLU A 31 -12.747 9.941 -18.580 1.00 0.00 C ATOM 505 CD GLU A 31 -14.052 10.253 -17.824 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.840 11.108 -18.289 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.317 9.634 -16.769 1.00 0.00 O ATOM 0 H GLU A 31 -9.195 11.524 -17.284 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.885 10.939 -16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.986 11.938 -18.371 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.806 10.779 -18.951 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.937 9.970 -19.653 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.427 8.927 -18.341 1.00 0.00 H new ATOM 514 N ARG A 32 -9.452 8.967 -17.220 1.00 0.00 N ATOM 515 CA ARG A 32 -8.942 7.596 -17.194 1.00 0.00 C ATOM 516 C ARG A 32 -8.454 7.156 -15.814 1.00 0.00 C ATOM 517 O ARG A 32 -8.432 5.954 -15.551 1.00 0.00 O ATOM 518 CB ARG A 32 -7.814 7.452 -18.222 1.00 0.00 C ATOM 519 CG ARG A 32 -8.306 7.427 -19.679 1.00 0.00 C ATOM 520 CD ARG A 32 -7.136 7.305 -20.667 1.00 0.00 C ATOM 521 NE ARG A 32 -6.422 6.020 -20.537 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.202 5.758 -21.024 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.607 6.587 -21.876 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.558 4.665 -20.633 1.00 0.00 N ATOM 0 H ARG A 32 -8.910 9.594 -17.815 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.776 6.941 -17.447 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.114 8.278 -18.098 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.263 6.534 -18.018 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.990 6.590 -19.819 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.868 8.337 -19.890 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.511 7.408 -21.685 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.437 8.125 -20.501 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.897 5.270 -20.035 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.080 7.441 -22.171 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.678 6.369 -22.235 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.992 4.029 -19.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.629 4.461 -21.001 1.00 0.00 H new ATOM 538 N ILE A 33 -8.082 8.082 -14.921 1.00 0.00 N ATOM 539 CA ILE A 33 -7.684 7.727 -13.561 1.00 0.00 C ATOM 540 C ILE A 33 -8.792 6.926 -12.857 1.00 0.00 C ATOM 541 O ILE A 33 -8.490 5.964 -12.149 1.00 0.00 O ATOM 542 CB ILE A 33 -7.261 8.993 -12.781 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.588 8.657 -11.433 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.448 9.951 -12.558 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.244 7.930 -11.571 1.00 0.00 C ATOM 0 H ILE A 33 -8.050 9.082 -15.120 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.813 7.072 -13.599 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.523 9.497 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.434 9.581 -10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.265 8.038 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.109 10.828 -12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.851 10.262 -13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.225 9.441 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.835 7.729 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.392 6.988 -12.100 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.548 8.555 -12.131 1.00 0.00 H new ATOM 557 N ALA A 34 -10.069 7.249 -13.110 1.00 0.00 N ATOM 558 CA ALA A 34 -11.211 6.606 -12.468 1.00 0.00 C ATOM 559 C ALA A 34 -11.357 5.126 -12.856 1.00 0.00 C ATOM 560 O ALA A 34 -12.125 4.406 -12.219 1.00 0.00 O ATOM 561 CB ALA A 34 -12.489 7.379 -12.813 1.00 0.00 C ATOM 0 H ALA A 34 -10.335 7.974 -13.776 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.040 6.627 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.344 6.901 -12.335 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.401 8.405 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.632 7.381 -13.894 1.00 0.00 H new ATOM 567 N THR A 35 -10.624 4.665 -13.870 1.00 0.00 N ATOM 568 CA THR A 35 -10.637 3.303 -14.381 1.00 0.00 C ATOM 569 C THR A 35 -9.239 2.662 -14.268 1.00 0.00 C ATOM 570 O THR A 35 -9.004 1.592 -14.833 1.00 0.00 O ATOM 571 CB THR A 35 -11.199 3.336 -15.821 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.740 4.459 -16.561 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.730 3.413 -15.810 1.00 0.00 C ATOM 0 H THR A 35 -9.975 5.265 -14.379 1.00 0.00 H new ATOM 0 HA THR A 35 -11.288 2.664 -13.784 1.00 0.00 H new ATOM 0 HB THR A 35 -10.849 2.417 -16.290 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.881 4.760 -16.199 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.101 3.435 -16.835 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.134 2.541 -15.297 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.045 4.318 -15.291 1.00 0.00 H new ATOM 581 N ALA A 36 -8.316 3.291 -13.524 1.00 0.00 N ATOM 582 CA ALA A 36 -6.943 2.828 -13.339 1.00 0.00 C ATOM 583 C ALA A 36 -6.557 2.799 -11.857 1.00 0.00 C ATOM 584 O ALA A 36 -5.898 1.855 -11.422 1.00 0.00 O ATOM 585 CB ALA A 36 -5.997 3.740 -14.125 1.00 0.00 C ATOM 0 H ALA A 36 -8.515 4.157 -13.024 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.863 1.807 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.970 3.400 -13.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.256 3.707 -15.183 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.091 4.763 -13.760 1.00 0.00 H new ATOM 591 N VAL A 37 -7.007 3.784 -11.074 1.00 0.00 N ATOM 592 CA VAL A 37 -6.839 3.851 -9.627 1.00 0.00 C ATOM 593 C VAL A 37 -8.185 4.339 -9.054 1.00 0.00 C ATOM 594 O VAL A 37 -8.312 5.503 -8.674 1.00 0.00 O ATOM 595 CB VAL A 37 -5.625 4.722 -9.227 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.303 4.502 -7.742 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.350 4.434 -10.040 1.00 0.00 C ATOM 0 H VAL A 37 -7.517 4.584 -11.449 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.601 2.875 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.917 5.751 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.447 5.116 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.165 4.782 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.067 3.451 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.546 5.086 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.057 3.393 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.543 4.619 -11.097 1.00 0.00 H new ATOM 607 N PRO A 38 -9.234 3.491 -9.064 1.00 0.00 N ATOM 608 CA PRO A 38 -10.590 3.917 -8.733 1.00 0.00 C ATOM 609 C PRO A 38 -10.730 4.356 -7.267 1.00 0.00 C ATOM 610 O PRO A 38 -11.559 5.217 -6.967 1.00 0.00 O ATOM 611 CB PRO A 38 -11.491 2.723 -9.069 1.00 0.00 C ATOM 612 CG PRO A 38 -10.558 1.518 -8.968 1.00 0.00 C ATOM 613 CD PRO A 38 -9.218 2.083 -9.437 1.00 0.00 C ATOM 0 HA PRO A 38 -10.872 4.801 -9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.324 2.643 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.919 2.814 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.501 1.136 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.892 0.694 -9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.386 1.562 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.098 1.964 -10.514 1.00 0.00 H new ATOM 621 N ASP A 39 -9.929 3.796 -6.352 1.00 0.00 N ATOM 622 CA ASP A 39 -9.840 4.278 -4.976 1.00 0.00 C ATOM 623 C ASP A 39 -8.958 5.525 -4.943 1.00 0.00 C ATOM 624 O ASP A 39 -7.729 5.429 -4.899 1.00 0.00 O ATOM 625 CB ASP A 39 -9.290 3.204 -4.028 1.00 0.00 C ATOM 626 CG ASP A 39 -9.068 3.760 -2.606 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.639 4.818 -2.255 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.338 3.111 -1.822 1.00 0.00 O ATOM 0 H ASP A 39 -9.326 2.997 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.844 4.523 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.984 2.365 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.348 2.820 -4.420 1.00 0.00 H new ATOM 633 N LYS A 40 -9.580 6.707 -4.967 1.00 0.00 N ATOM 634 CA LYS A 40 -8.856 7.975 -4.976 1.00 0.00 C ATOM 635 C LYS A 40 -8.020 8.233 -3.718 1.00 0.00 C ATOM 636 O LYS A 40 -7.232 9.180 -3.715 1.00 0.00 O ATOM 637 CB LYS A 40 -9.803 9.143 -5.295 1.00 0.00 C ATOM 638 CG LYS A 40 -10.854 9.451 -4.214 1.00 0.00 C ATOM 639 CD LYS A 40 -11.599 10.766 -4.500 1.00 0.00 C ATOM 640 CE LYS A 40 -12.408 10.719 -5.806 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.079 12.011 -6.095 1.00 0.00 N ATOM 0 H LYS A 40 -10.595 6.809 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.122 7.898 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.205 10.039 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.320 8.925 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.571 8.632 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.367 9.513 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.270 10.986 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.879 11.582 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.746 10.462 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.156 9.929 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.719 11.896 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.626 12.312 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.363 12.732 -6.318 1.00 0.00 H new ATOM 655 N ASN A 41 -8.179 7.438 -2.652 1.00 0.00 N ATOM 656 CA ASN A 41 -7.332 7.574 -1.472 1.00 0.00 C ATOM 657 C ASN A 41 -5.942 6.965 -1.693 1.00 0.00 C ATOM 658 O ASN A 41 -5.027 7.240 -0.917 1.00 0.00 O ATOM 659 CB ASN A 41 -7.999 6.945 -0.240 1.00 0.00 C ATOM 660 CG ASN A 41 -7.214 7.247 1.037 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.974 8.402 1.379 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.811 6.227 1.779 1.00 0.00 N ATOM 0 H ASN A 41 -8.882 6.701 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.203 8.642 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.016 7.325 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.073 5.866 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.296 6.397 2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.015 5.271 1.486 1.00 0.00 H new ATOM 669 N ASP A 42 -5.768 6.109 -2.705 1.00 0.00 N ATOM 670 CA ASP A 42 -4.507 5.403 -2.939 1.00 0.00 C ATOM 671 C ASP A 42 -3.401 6.354 -3.423 1.00 0.00 C ATOM 672 O ASP A 42 -3.694 7.428 -3.955 1.00 0.00 O ATOM 673 CB ASP A 42 -4.722 4.270 -3.947 1.00 0.00 C ATOM 674 CG ASP A 42 -3.494 3.358 -3.998 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.029 2.955 -2.909 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.008 3.048 -5.106 1.00 0.00 O ATOM 0 H ASP A 42 -6.497 5.887 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.178 4.981 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.602 3.690 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.914 4.687 -4.936 1.00 0.00 H new ATOM 681 N THR A 43 -2.130 5.979 -3.248 1.00 0.00 N ATOM 682 CA THR A 43 -0.996 6.808 -3.652 1.00 0.00 C ATOM 683 C THR A 43 -0.853 6.783 -5.183 1.00 0.00 C ATOM 684 O THR A 43 -0.856 5.704 -5.780 1.00 0.00 O ATOM 685 CB THR A 43 0.297 6.326 -2.964 1.00 0.00 C ATOM 686 OG1 THR A 43 0.057 5.872 -1.644 1.00 0.00 O ATOM 687 CG2 THR A 43 1.368 7.420 -2.917 1.00 0.00 C ATOM 0 H THR A 43 -1.861 5.092 -2.822 1.00 0.00 H new ATOM 0 HA THR A 43 -1.175 7.837 -3.339 1.00 0.00 H new ATOM 0 HB THR A 43 0.660 5.496 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.013 4.893 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.260 7.035 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.619 7.728 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.988 8.277 -2.362 1.00 0.00 H new ATOM 695 N VAL A 44 -0.666 7.945 -5.820 1.00 0.00 N ATOM 696 CA VAL A 44 -0.562 8.068 -7.277 1.00 0.00 C ATOM 697 C VAL A 44 0.659 8.926 -7.592 1.00 0.00 C ATOM 698 O VAL A 44 0.608 10.155 -7.540 1.00 0.00 O ATOM 699 CB VAL A 44 -1.877 8.614 -7.888 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.807 8.655 -9.421 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.091 7.747 -7.525 1.00 0.00 C ATOM 0 H VAL A 44 -0.582 8.836 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.422 7.091 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.994 9.616 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.745 9.043 -9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.987 9.303 -9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.639 7.649 -9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.988 8.170 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.940 6.734 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.208 7.720 -6.442 1.00 0.00 H new ATOM 711 N LYS A 45 1.784 8.276 -7.886 1.00 0.00 N ATOM 712 CA LYS A 45 2.987 8.964 -8.330 1.00 0.00 C ATOM 713 C LYS A 45 2.826 9.306 -9.807 1.00 0.00 C ATOM 714 O LYS A 45 2.459 8.439 -10.602 1.00 0.00 O ATOM 715 CB LYS A 45 4.216 8.087 -8.049 1.00 0.00 C ATOM 716 CG LYS A 45 4.585 8.204 -6.560 1.00 0.00 C ATOM 717 CD LYS A 45 5.657 7.198 -6.129 1.00 0.00 C ATOM 718 CE LYS A 45 6.061 7.498 -4.680 1.00 0.00 C ATOM 719 NZ LYS A 45 6.920 6.442 -4.098 1.00 0.00 N ATOM 0 H LYS A 45 1.883 7.263 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 45 3.137 9.895 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.004 7.049 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.054 8.403 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.940 9.214 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.690 8.054 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.275 6.181 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.525 7.267 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.588 8.451 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.163 7.607 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.261 6.747 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.371 5.565 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.733 6.271 -4.724 1.00 0.00 H new ATOM 733 N VAL A 46 3.121 10.545 -10.189 1.00 0.00 N ATOM 734 CA VAL A 46 3.006 11.019 -11.568 1.00 0.00 C ATOM 735 C VAL A 46 4.346 11.607 -12.022 1.00 0.00 C ATOM 736 O VAL A 46 4.980 12.372 -11.283 1.00 0.00 O ATOM 737 CB VAL A 46 1.808 11.990 -11.720 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.479 11.312 -11.351 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.908 13.272 -10.878 1.00 0.00 C ATOM 0 H VAL A 46 3.452 11.260 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 46 2.787 10.185 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 46 1.840 12.268 -12.774 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.338 12.024 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.313 10.456 -12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.518 10.974 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.026 13.889 -11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.968 13.010 -9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.801 13.827 -11.165 1.00 0.00 H new ATOM 749 N TYR A 47 4.774 11.257 -13.240 1.00 0.00 N ATOM 750 CA TYR A 47 6.019 11.691 -13.866 1.00 0.00 C ATOM 751 C TYR A 47 5.801 11.785 -15.388 1.00 0.00 C ATOM 752 O TYR A 47 4.834 11.235 -15.925 1.00 0.00 O ATOM 753 CB TYR A 47 7.163 10.723 -13.509 1.00 0.00 C ATOM 754 CG TYR A 47 7.126 9.430 -14.298 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.236 8.403 -13.936 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.940 9.286 -15.436 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.157 7.236 -14.712 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.873 8.117 -16.207 1.00 0.00 C ATOM 759 CZ TYR A 47 6.984 7.085 -15.848 1.00 0.00 C ATOM 760 OH TYR A 47 6.951 5.957 -16.609 1.00 0.00 O ATOM 0 H TYR A 47 4.234 10.634 -13.841 1.00 0.00 H new ATOM 0 HA TYR A 47 6.306 12.675 -13.494 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.117 11.220 -13.684 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.115 10.492 -12.445 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.613 8.512 -13.061 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.618 10.078 -15.717 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.464 6.453 -14.441 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.504 8.008 -17.077 1.00 0.00 H new ATOM 0 HH TYR A 47 7.403 6.125 -17.462 1.00 0.00 H new ATOM 770 N CYS A 48 6.690 12.502 -16.080 1.00 0.00 N ATOM 771 CA CYS A 48 6.727 12.628 -17.535 1.00 0.00 C ATOM 772 C CYS A 48 8.166 12.957 -17.934 1.00 0.00 C ATOM 773 O CYS A 48 8.946 13.387 -17.087 1.00 0.00 O ATOM 774 CB CYS A 48 5.772 13.751 -17.979 1.00 0.00 C ATOM 775 SG CYS A 48 6.295 15.357 -17.307 1.00 0.00 S ATOM 0 H CYS A 48 7.432 13.031 -15.622 1.00 0.00 H new ATOM 0 HA CYS A 48 6.409 11.703 -18.016 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.744 13.800 -19.068 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.759 13.525 -17.644 1.00 0.00 H new ATOM 0 HG CYS A 48 6.233 15.325 -16.009 1.00 0.00 H new ATOM 781 N ASN A 49 8.532 12.845 -19.208 1.00 0.00 N ATOM 782 CA ASN A 49 9.871 13.205 -19.690 1.00 0.00 C ATOM 783 C ASN A 49 10.275 14.642 -19.324 1.00 0.00 C ATOM 784 O ASN A 49 11.456 14.908 -19.102 1.00 0.00 O ATOM 785 CB ASN A 49 9.948 13.010 -21.211 1.00 0.00 C ATOM 786 CG ASN A 49 11.364 13.273 -21.723 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.307 12.583 -21.349 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.547 14.264 -22.582 1.00 0.00 N ATOM 0 H ASN A 49 7.910 12.502 -19.940 1.00 0.00 H new ATOM 0 HA ASN A 49 10.577 12.542 -19.190 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.647 11.994 -21.467 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.248 13.684 -21.704 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.481 14.462 -22.941 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.754 14.830 -22.884 1.00 0.00 H new ATOM 795 N ALA A 50 9.305 15.563 -19.253 1.00 0.00 N ATOM 796 CA ALA A 50 9.557 16.982 -19.019 1.00 0.00 C ATOM 797 C ALA A 50 9.690 17.357 -17.531 1.00 0.00 C ATOM 798 O ALA A 50 10.158 18.459 -17.244 1.00 0.00 O ATOM 799 CB ALA A 50 8.428 17.793 -19.671 1.00 0.00 C ATOM 0 H ALA A 50 8.316 15.337 -19.358 1.00 0.00 H new ATOM 0 HA ALA A 50 10.522 17.217 -19.467 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.601 18.856 -19.505 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.407 17.591 -20.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.473 17.508 -19.229 1.00 0.00 H new ATOM 805 N GLY A 51 9.266 16.505 -16.584 1.00 0.00 N ATOM 806 CA GLY A 51 9.175 16.864 -15.167 1.00 0.00 C ATOM 807 C GLY A 51 8.308 18.108 -14.924 1.00 0.00 C ATOM 808 O GLY A 51 8.634 18.928 -14.063 1.00 0.00 O ATOM 0 H GLY A 51 8.977 15.547 -16.784 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.761 16.024 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.177 17.043 -14.777 1.00 0.00 H new ATOM 812 N ARG A 52 7.241 18.286 -15.716 1.00 0.00 N ATOM 813 CA ARG A 52 6.404 19.494 -15.732 1.00 0.00 C ATOM 814 C ARG A 52 4.953 19.115 -15.972 1.00 0.00 C ATOM 815 O ARG A 52 4.091 19.448 -15.163 1.00 0.00 O ATOM 816 CB ARG A 52 6.933 20.448 -16.825 1.00 0.00 C ATOM 817 CG ARG A 52 6.042 21.656 -17.174 1.00 0.00 C ATOM 818 CD ARG A 52 5.950 22.730 -16.078 1.00 0.00 C ATOM 819 NE ARG A 52 4.901 22.455 -15.075 1.00 0.00 N ATOM 820 CZ ARG A 52 5.055 22.340 -13.749 1.00 0.00 C ATOM 821 NH1 ARG A 52 6.265 22.304 -13.195 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.973 22.268 -12.982 1.00 0.00 N ATOM 0 H ARG A 52 6.929 17.577 -16.379 1.00 0.00 H new ATOM 0 HA ARG A 52 6.453 20.004 -14.770 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.907 20.822 -16.509 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.094 19.869 -17.734 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.422 22.119 -18.085 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.037 21.296 -17.395 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.913 22.808 -15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.754 23.697 -16.542 1.00 0.00 H new ATOM 0 HE ARG A 52 3.953 22.340 -15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.097 22.364 -13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.360 22.216 -12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.045 22.301 -13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.070 22.180 -11.970 1.00 0.00 H new ATOM 836 N GLN A 53 4.680 18.369 -17.044 1.00 0.00 N ATOM 837 CA GLN A 53 3.337 17.883 -17.363 1.00 0.00 C ATOM 838 C GLN A 53 2.810 16.980 -16.235 1.00 0.00 C ATOM 839 O GLN A 53 1.611 16.937 -15.977 1.00 0.00 O ATOM 840 CB GLN A 53 3.368 17.159 -18.722 1.00 0.00 C ATOM 841 CG GLN A 53 3.852 18.069 -19.866 1.00 0.00 C ATOM 842 CD GLN A 53 3.944 17.325 -21.197 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.034 17.005 -21.666 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.823 17.024 -21.833 1.00 0.00 N ATOM 0 H GLN A 53 5.389 18.083 -17.719 1.00 0.00 H new ATOM 0 HA GLN A 53 2.647 18.723 -17.443 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.022 16.290 -18.652 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.370 16.788 -18.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.170 18.913 -19.970 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.830 18.479 -19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.923 17.294 -21.436 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.859 16.522 -22.720 1.00 0.00 H new ATOM 853 N SER A 54 3.704 16.317 -15.503 1.00 0.00 N ATOM 854 CA SER A 54 3.402 15.575 -14.294 1.00 0.00 C ATOM 855 C SER A 54 2.945 16.479 -13.152 1.00 0.00 C ATOM 856 O SER A 54 1.984 16.143 -12.465 1.00 0.00 O ATOM 857 CB SER A 54 4.642 14.765 -13.941 1.00 0.00 C ATOM 858 OG SER A 54 5.846 15.497 -14.177 1.00 0.00 O ATOM 0 H SER A 54 4.693 16.285 -15.750 1.00 0.00 H new ATOM 0 HA SER A 54 2.558 14.907 -14.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.596 14.471 -12.892 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.655 13.847 -14.529 1.00 0.00 H new ATOM 0 HG SER A 54 6.589 15.066 -13.706 1.00 0.00 H new ATOM 864 N GLY A 55 3.560 17.650 -12.980 1.00 0.00 N ATOM 865 CA GLY A 55 3.071 18.670 -12.061 1.00 0.00 C ATOM 866 C GLY A 55 1.654 19.102 -12.437 1.00 0.00 C ATOM 867 O GLY A 55 0.798 19.230 -11.562 1.00 0.00 O ATOM 0 H GLY A 55 4.411 17.915 -13.476 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.080 18.283 -11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.737 19.533 -12.080 1.00 0.00 H new ATOM 871 N GLN A 56 1.368 19.254 -13.735 1.00 0.00 N ATOM 872 CA GLN A 56 0.025 19.612 -14.190 1.00 0.00 C ATOM 873 C GLN A 56 -0.970 18.504 -13.839 1.00 0.00 C ATOM 874 O GLN A 56 -2.024 18.782 -13.270 1.00 0.00 O ATOM 875 CB GLN A 56 -0.023 19.900 -15.690 1.00 0.00 C ATOM 876 CG GLN A 56 0.977 20.982 -16.107 1.00 0.00 C ATOM 877 CD GLN A 56 0.819 22.305 -15.359 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.670 22.663 -14.548 1.00 0.00 O ATOM 879 NE2 GLN A 56 -0.250 23.046 -15.596 1.00 0.00 N ATOM 0 H GLN A 56 2.049 19.134 -14.485 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.253 20.530 -13.672 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.187 18.983 -16.241 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.030 20.214 -15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.988 20.607 -15.948 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.870 21.167 -17.176 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.947 22.734 -16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.378 23.929 -15.102 1.00 0.00 H new ATOM 888 N ALA A 57 -0.624 17.243 -14.123 1.00 0.00 N ATOM 889 CA ALA A 57 -1.465 16.106 -13.766 1.00 0.00 C ATOM 890 C ALA A 57 -1.679 16.037 -12.256 1.00 0.00 C ATOM 891 O ALA A 57 -2.760 15.658 -11.809 1.00 0.00 O ATOM 892 CB ALA A 57 -0.854 14.798 -14.272 1.00 0.00 C ATOM 0 H ALA A 57 0.240 16.988 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.434 16.246 -14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.498 13.964 -13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.758 14.837 -15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.131 14.660 -13.826 1.00 0.00 H new ATOM 898 N LYS A 58 -0.678 16.431 -11.465 1.00 0.00 N ATOM 899 CA LYS A 58 -0.809 16.434 -10.010 1.00 0.00 C ATOM 900 C LYS A 58 -1.910 17.412 -9.618 1.00 0.00 C ATOM 901 O LYS A 58 -2.767 17.060 -8.808 1.00 0.00 O ATOM 902 CB LYS A 58 0.548 16.723 -9.331 1.00 0.00 C ATOM 903 CG LYS A 58 0.566 16.363 -7.835 1.00 0.00 C ATOM 904 CD LYS A 58 0.052 17.472 -6.902 1.00 0.00 C ATOM 905 CE LYS A 58 -0.344 16.866 -5.548 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.016 17.854 -4.670 1.00 0.00 N ATOM 0 H LYS A 58 0.228 16.751 -11.808 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.102 15.447 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.330 16.162 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.787 17.780 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.039 15.469 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.587 16.110 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.824 18.229 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.806 17.971 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.007 16.017 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.546 16.484 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.068 17.479 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.475 18.742 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.977 18.035 -5.023 1.00 0.00 H new ATOM 920 N GLU A 59 -1.927 18.611 -10.200 1.00 0.00 N ATOM 921 CA GLU A 59 -2.961 19.602 -9.921 1.00 0.00 C ATOM 922 C GLU A 59 -4.336 19.099 -10.376 1.00 0.00 C ATOM 923 O GLU A 59 -5.305 19.273 -9.638 1.00 0.00 O ATOM 924 CB GLU A 59 -2.619 20.947 -10.585 1.00 0.00 C ATOM 925 CG GLU A 59 -1.392 21.641 -9.973 1.00 0.00 C ATOM 926 CD GLU A 59 -1.623 22.071 -8.513 1.00 0.00 C ATOM 927 OE1 GLU A 59 -2.251 23.128 -8.278 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.161 21.369 -7.585 1.00 0.00 O ATOM 0 H GLU A 59 -1.227 18.920 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.001 19.758 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.441 20.783 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.479 21.611 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.537 20.966 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.139 22.517 -10.570 1.00 0.00 H new ATOM 935 N ILE A 60 -4.432 18.432 -11.535 1.00 0.00 N ATOM 936 CA ILE A 60 -5.688 17.843 -12.010 1.00 0.00 C ATOM 937 C ILE A 60 -6.215 16.862 -10.958 1.00 0.00 C ATOM 938 O ILE A 60 -7.364 16.968 -10.531 1.00 0.00 O ATOM 939 CB ILE A 60 -5.497 17.159 -13.390 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.233 18.210 -14.492 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.717 16.301 -13.771 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.935 17.596 -15.868 1.00 0.00 C ATOM 0 H ILE A 60 -3.644 18.287 -12.166 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.426 18.632 -12.151 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.630 16.503 -13.307 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.102 18.863 -14.575 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.392 18.835 -14.192 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.547 15.838 -14.743 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.865 15.525 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.604 16.932 -13.820 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.760 18.392 -16.592 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.048 16.965 -15.801 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.785 16.994 -16.190 1.00 0.00 H new ATOM 954 N LEU A 61 -5.388 15.907 -10.530 1.00 0.00 N ATOM 955 CA LEU A 61 -5.837 14.864 -9.618 1.00 0.00 C ATOM 956 C LEU A 61 -6.126 15.440 -8.227 1.00 0.00 C ATOM 957 O LEU A 61 -7.022 14.948 -7.538 1.00 0.00 O ATOM 958 CB LEU A 61 -4.813 13.719 -9.583 1.00 0.00 C ATOM 959 CG LEU A 61 -4.639 12.961 -10.920 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.712 11.757 -10.725 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.966 12.477 -11.513 1.00 0.00 C ATOM 0 H LEU A 61 -4.407 15.838 -10.802 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.777 14.449 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.847 14.124 -9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.112 13.007 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.205 13.672 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.596 11.230 -11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.737 12.101 -10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.142 11.082 -9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.776 11.953 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.453 11.800 -10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.614 13.333 -11.701 1.00 0.00 H new ATOM 973 N SER A 62 -5.437 16.514 -7.832 1.00 0.00 N ATOM 974 CA SER A 62 -5.742 17.243 -6.606 1.00 0.00 C ATOM 975 C SER A 62 -7.122 17.907 -6.699 1.00 0.00 C ATOM 976 O SER A 62 -7.884 17.853 -5.734 1.00 0.00 O ATOM 977 CB SER A 62 -4.658 18.288 -6.322 1.00 0.00 C ATOM 978 OG SER A 62 -3.378 17.682 -6.274 1.00 0.00 O ATOM 0 H SER A 62 -4.652 16.900 -8.356 1.00 0.00 H new ATOM 0 HA SER A 62 -5.762 16.533 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.674 19.055 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.866 18.786 -5.375 1.00 0.00 H new ATOM 0 HG SER A 62 -3.060 17.517 -7.186 1.00 0.00 H new ATOM 984 N GLU A 63 -7.486 18.483 -7.851 1.00 0.00 N ATOM 985 CA GLU A 63 -8.813 19.059 -8.075 1.00 0.00 C ATOM 986 C GLU A 63 -9.884 17.959 -8.009 1.00 0.00 C ATOM 987 O GLU A 63 -10.961 18.174 -7.449 1.00 0.00 O ATOM 988 CB GLU A 63 -8.835 19.811 -9.418 1.00 0.00 C ATOM 989 CG GLU A 63 -10.148 20.571 -9.649 1.00 0.00 C ATOM 990 CD GLU A 63 -10.123 21.359 -10.970 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.493 20.793 -12.024 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.756 22.558 -10.963 1.00 0.00 O ATOM 0 H GLU A 63 -6.864 18.562 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.040 19.780 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.003 20.514 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.683 19.100 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.979 19.866 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.323 21.256 -8.820 1.00 0.00 H new ATOM 999 N MET A 64 -9.570 16.757 -8.509 1.00 0.00 N ATOM 1000 CA MET A 64 -10.423 15.572 -8.392 1.00 0.00 C ATOM 1001 C MET A 64 -10.458 15.003 -6.960 1.00 0.00 C ATOM 1002 O MET A 64 -11.188 14.042 -6.706 1.00 0.00 O ATOM 1003 CB MET A 64 -9.970 14.493 -9.387 1.00 0.00 C ATOM 1004 CG MET A 64 -10.117 14.926 -10.850 1.00 0.00 C ATOM 1005 SD MET A 64 -9.544 13.682 -12.036 1.00 0.00 S ATOM 1006 CE MET A 64 -10.906 12.487 -11.939 1.00 0.00 C ATOM 0 H MET A 64 -8.702 16.580 -9.014 1.00 0.00 H new ATOM 0 HA MET A 64 -11.439 15.884 -8.632 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.928 14.241 -9.192 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.553 13.587 -9.222 1.00 0.00 H new ATOM 0 HG2 MET A 64 -11.165 15.151 -11.050 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.558 15.849 -11.005 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.743 11.690 -12.664 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.947 12.062 -10.936 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.848 12.990 -12.158 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.698 15.564 -6.017 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.762 15.213 -4.605 1.00 0.00 C ATOM 1018 C GLY A 65 -8.976 13.949 -4.253 1.00 0.00 C ATOM 1019 O GLY A 65 -9.220 13.372 -3.192 1.00 0.00 O ATOM 0 H GLY A 65 -9.009 16.288 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.379 16.045 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.805 15.073 -4.321 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.061 13.492 -5.115 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.156 12.396 -4.781 1.00 0.00 C ATOM 1025 C TYR A 66 -6.220 12.910 -3.680 1.00 0.00 C ATOM 1026 O TYR A 66 -5.618 13.978 -3.825 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.390 11.919 -6.025 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.194 11.086 -7.015 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.325 11.626 -7.658 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.828 9.749 -7.270 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.130 10.825 -8.486 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.617 8.945 -8.113 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.790 9.470 -8.701 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.602 8.663 -9.442 1.00 0.00 O ATOM 0 H TYR A 66 -7.930 13.869 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.705 11.526 -4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.000 12.793 -6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.531 11.333 -5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.576 12.666 -7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.938 9.340 -6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.007 11.244 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.326 7.924 -8.311 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.215 7.764 -9.489 1.00 0.00 H new ATOM 1044 N THR A 67 -6.114 12.183 -2.569 1.00 0.00 N ATOM 1045 CA THR A 67 -5.468 12.671 -1.350 1.00 0.00 C ATOM 1046 C THR A 67 -3.951 12.444 -1.326 1.00 0.00 C ATOM 1047 O THR A 67 -3.247 13.159 -0.608 1.00 0.00 O ATOM 1048 CB THR A 67 -6.139 11.993 -0.141 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.291 10.613 -0.401 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.532 12.573 0.125 1.00 0.00 C ATOM 0 H THR A 67 -6.476 11.233 -2.488 1.00 0.00 H new ATOM 0 HA THR A 67 -5.599 13.752 -1.312 1.00 0.00 H new ATOM 0 HB THR A 67 -5.504 12.166 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.524 10.147 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.977 12.072 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.449 13.640 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.163 12.420 -0.751 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.433 11.492 -2.112 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.046 11.028 -2.023 1.00 0.00 C ATOM 1060 C HIS A 68 -1.385 10.989 -3.405 1.00 0.00 C ATOM 1061 O HIS A 68 -0.600 10.092 -3.721 1.00 0.00 O ATOM 1062 CB HIS A 68 -1.994 9.686 -1.271 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.513 9.766 0.145 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.649 9.163 0.631 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.960 10.470 1.182 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.786 9.499 1.922 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.772 10.296 2.313 1.00 0.00 N ATOM 0 H HIS A 68 -3.973 11.018 -2.836 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.457 11.738 -1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.577 8.948 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.964 9.329 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.280 8.563 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.055 11.058 1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.596 9.176 2.559 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.726 11.950 -4.262 1.00 0.00 N ATOM 1076 CA VAL A 69 -0.992 12.159 -5.504 1.00 0.00 C ATOM 1077 C VAL A 69 0.380 12.730 -5.121 1.00 0.00 C ATOM 1078 O VAL A 69 0.477 13.516 -4.173 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.735 13.118 -6.457 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.245 12.929 -7.901 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.255 12.934 -6.447 1.00 0.00 C ATOM 0 H VAL A 69 -2.504 12.593 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.891 11.216 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.512 14.120 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.780 13.614 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.176 13.137 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.431 11.902 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.712 13.641 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.500 11.917 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.637 13.113 -5.442 1.00 0.00 H new ATOM 1091 N GLU A 70 1.429 12.395 -5.868 1.00 0.00 N ATOM 1092 CA GLU A 70 2.760 12.942 -5.668 1.00 0.00 C ATOM 1093 C GLU A 70 3.397 13.128 -7.039 1.00 0.00 C ATOM 1094 O GLU A 70 3.458 12.188 -7.832 1.00 0.00 O ATOM 1095 CB GLU A 70 3.575 11.990 -4.774 1.00 0.00 C ATOM 1096 CG GLU A 70 4.984 12.531 -4.491 1.00 0.00 C ATOM 1097 CD GLU A 70 5.729 11.665 -3.460 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.601 11.921 -2.240 1.00 0.00 O ATOM 1099 OE2 GLU A 70 6.470 10.740 -3.859 1.00 0.00 O ATOM 0 H GLU A 70 1.374 11.728 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 70 2.725 13.907 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.049 11.839 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.651 11.016 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.555 12.564 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.914 13.555 -4.124 1.00 0.00 H new ATOM 1106 N ASN A 71 3.868 14.338 -7.344 1.00 0.00 N ATOM 1107 CA ASN A 71 4.704 14.535 -8.518 1.00 0.00 C ATOM 1108 C ASN A 71 6.083 13.977 -8.176 1.00 0.00 C ATOM 1109 O ASN A 71 6.871 14.643 -7.503 1.00 0.00 O ATOM 1110 CB ASN A 71 4.771 16.009 -8.945 1.00 0.00 C ATOM 1111 CG ASN A 71 5.850 16.236 -10.004 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.601 17.203 -9.938 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.967 15.360 -10.993 1.00 0.00 N ATOM 0 H ASN A 71 3.686 15.182 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 71 4.280 14.013 -9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.803 16.320 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.977 16.632 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.686 15.488 -11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.338 14.558 -11.041 1.00 0.00 H new ATOM 1120 N ALA A 72 6.351 12.740 -8.604 1.00 0.00 N ATOM 1121 CA ALA A 72 7.634 12.084 -8.385 1.00 0.00 C ATOM 1122 C ALA A 72 8.767 12.870 -9.060 1.00 0.00 C ATOM 1123 O ALA A 72 9.880 12.915 -8.537 1.00 0.00 O ATOM 1124 CB ALA A 72 7.567 10.647 -8.913 1.00 0.00 C ATOM 0 H ALA A 72 5.678 12.167 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 72 7.847 12.056 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.526 10.154 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.785 10.102 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.343 10.661 -9.980 1.00 0.00 H new ATOM 1130 N GLY A 73 8.471 13.508 -10.197 1.00 0.00 N ATOM 1131 CA GLY A 73 9.365 14.390 -10.925 1.00 0.00 C ATOM 1132 C GLY A 73 9.136 14.144 -12.395 1.00 0.00 C ATOM 1133 O GLY A 73 8.028 14.369 -12.895 1.00 0.00 O ATOM 0 H GLY A 73 7.561 13.414 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.166 15.432 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.403 14.191 -10.659 1.00 0.00 H new ATOM 1137 N GLY A 74 10.161 13.631 -13.063 1.00 0.00 N ATOM 1138 CA GLY A 74 10.107 13.262 -14.458 1.00 0.00 C ATOM 1139 C GLY A 74 10.941 12.019 -14.712 1.00 0.00 C ATOM 1140 O GLY A 74 11.646 11.544 -13.821 1.00 0.00 O ATOM 0 H GLY A 74 11.070 13.459 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.073 13.080 -14.752 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.473 14.085 -15.072 1.00 0.00 H new ATOM 1144 N LEU A 75 10.860 11.480 -15.929 1.00 0.00 N ATOM 1145 CA LEU A 75 11.497 10.207 -16.283 1.00 0.00 C ATOM 1146 C LEU A 75 13.021 10.296 -16.165 1.00 0.00 C ATOM 1147 O LEU A 75 13.668 9.318 -15.793 1.00 0.00 O ATOM 1148 CB LEU A 75 11.088 9.810 -17.717 1.00 0.00 C ATOM 1149 CG LEU A 75 11.751 8.526 -18.262 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.483 7.291 -17.392 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.243 8.268 -19.684 1.00 0.00 C ATOM 0 H LEU A 75 10.351 11.913 -16.699 1.00 0.00 H new ATOM 0 HA LEU A 75 11.158 9.442 -15.584 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.006 9.681 -17.746 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.328 10.635 -18.387 1.00 0.00 H new ATOM 0 HG LEU A 75 12.829 8.690 -18.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.976 6.423 -17.830 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.872 7.462 -16.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.410 7.110 -17.339 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.706 7.363 -20.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.160 8.144 -19.667 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.501 9.114 -20.322 1.00 0.00 H new ATOM 1163 N LYS A 76 13.601 11.460 -16.474 1.00 0.00 N ATOM 1164 CA LYS A 76 15.030 11.701 -16.305 1.00 0.00 C ATOM 1165 C LYS A 76 15.401 11.712 -14.819 1.00 0.00 C ATOM 1166 O LYS A 76 16.490 11.264 -14.460 1.00 0.00 O ATOM 1167 CB LYS A 76 15.383 13.031 -16.996 1.00 0.00 C ATOM 1168 CG LYS A 76 16.898 13.282 -17.031 1.00 0.00 C ATOM 1169 CD LYS A 76 17.288 14.518 -17.858 1.00 0.00 C ATOM 1170 CE LYS A 76 16.750 15.821 -17.247 1.00 0.00 C ATOM 1171 NZ LYS A 76 17.182 17.018 -18.011 1.00 0.00 N ATOM 0 H LYS A 76 13.089 12.259 -16.848 1.00 0.00 H new ATOM 0 HA LYS A 76 15.607 10.899 -16.766 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.994 13.024 -18.014 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.892 13.852 -16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.263 13.405 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.396 12.405 -17.444 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.374 14.575 -17.932 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.905 14.409 -18.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.661 15.784 -17.218 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.094 15.906 -16.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.796 17.874 -17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.221 17.069 -18.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.832 16.951 -18.988 1.00 0.00 H new ATOM 1185 N ASP A 77 14.518 12.236 -13.963 1.00 0.00 N ATOM 1186 CA ASP A 77 14.795 12.399 -12.540 1.00 0.00 C ATOM 1187 C ASP A 77 14.644 11.079 -11.785 1.00 0.00 C ATOM 1188 O ASP A 77 15.489 10.780 -10.939 1.00 0.00 O ATOM 1189 CB ASP A 77 13.874 13.455 -11.920 1.00 0.00 C ATOM 1190 CG ASP A 77 14.215 13.652 -10.434 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.222 14.328 -10.127 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.466 13.155 -9.565 1.00 0.00 O ATOM 0 H ASP A 77 13.591 12.558 -14.242 1.00 0.00 H new ATOM 0 HA ASP A 77 15.829 12.732 -12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.981 14.400 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.834 13.147 -12.024 1.00 0.00 H new ATOM 1197 N ILE A 78 13.608 10.277 -12.082 1.00 0.00 N ATOM 1198 CA ILE A 78 13.421 8.987 -11.418 1.00 0.00 C ATOM 1199 C ILE A 78 14.618 8.070 -11.721 1.00 0.00 C ATOM 1200 O ILE A 78 15.113 8.039 -12.851 1.00 0.00 O ATOM 1201 CB ILE A 78 12.062 8.392 -11.852 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.930 9.266 -11.271 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.882 6.935 -11.386 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.594 9.020 -11.961 1.00 0.00 C ATOM 0 H ILE A 78 12.894 10.502 -12.774 1.00 0.00 H new ATOM 0 HA ILE A 78 13.390 9.102 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 78 12.029 8.386 -12.941 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.828 9.062 -10.205 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.199 10.318 -11.370 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.912 6.565 -11.717 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.671 6.316 -11.813 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.936 6.892 -10.298 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.831 9.659 -11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.685 9.250 -13.023 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.308 7.975 -11.839 1.00 0.00 H new ATOM 1216 N ALA A 79 15.033 7.271 -10.728 1.00 0.00 N ATOM 1217 CA ALA A 79 16.139 6.314 -10.830 1.00 0.00 C ATOM 1218 C ALA A 79 15.716 4.900 -10.400 1.00 0.00 C ATOM 1219 O ALA A 79 16.535 4.082 -9.976 1.00 0.00 O ATOM 1220 CB ALA A 79 17.348 6.848 -10.048 1.00 0.00 C ATOM 0 H ALA A 79 14.595 7.274 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 79 16.434 6.216 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.172 6.138 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.656 7.807 -10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.075 6.979 -9.001 1.00 0.00 H new ATOM 1226 N MET A 80 14.415 4.627 -10.502 1.00 0.00 N ATOM 1227 CA MET A 80 13.838 3.288 -10.386 1.00 0.00 C ATOM 1228 C MET A 80 14.211 2.475 -11.640 1.00 0.00 C ATOM 1229 O MET A 80 14.625 3.073 -12.640 1.00 0.00 O ATOM 1230 CB MET A 80 12.305 3.401 -10.293 1.00 0.00 C ATOM 1231 CG MET A 80 11.822 3.965 -8.952 1.00 0.00 C ATOM 1232 SD MET A 80 10.031 4.267 -8.855 1.00 0.00 S ATOM 1233 CE MET A 80 9.378 2.586 -9.078 1.00 0.00 C ATOM 0 H MET A 80 13.716 5.350 -10.672 1.00 0.00 H new ATOM 0 HA MET A 80 14.222 2.794 -9.494 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.945 4.040 -11.099 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.864 2.416 -10.445 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.103 3.272 -8.159 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.346 4.901 -8.757 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.480 2.461 -8.473 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.134 2.427 -10.128 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.129 1.860 -8.766 1.00 0.00 H new ATOM 1243 N PRO A 81 14.050 1.137 -11.632 1.00 0.00 N ATOM 1244 CA PRO A 81 14.133 0.322 -12.841 1.00 0.00 C ATOM 1245 C PRO A 81 13.207 0.858 -13.941 1.00 0.00 C ATOM 1246 O PRO A 81 12.133 1.401 -13.654 1.00 0.00 O ATOM 1247 CB PRO A 81 13.733 -1.096 -12.415 1.00 0.00 C ATOM 1248 CG PRO A 81 14.083 -1.131 -10.930 1.00 0.00 C ATOM 1249 CD PRO A 81 13.781 0.295 -10.474 1.00 0.00 C ATOM 0 HA PRO A 81 15.137 0.341 -13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.672 -1.282 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.281 -1.854 -12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.482 -1.863 -10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.128 -1.394 -10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.745 0.393 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.408 0.578 -9.628 1.00 0.00 H new ATOM 1257 N LYS A 82 13.592 0.671 -15.205 1.00 0.00 N ATOM 1258 CA LYS A 82 12.848 1.139 -16.374 1.00 0.00 C ATOM 1259 C LYS A 82 12.873 0.032 -17.420 1.00 0.00 C ATOM 1260 O LYS A 82 13.844 -0.727 -17.490 1.00 0.00 O ATOM 1261 CB LYS A 82 13.477 2.432 -16.936 1.00 0.00 C ATOM 1262 CG LYS A 82 13.356 3.627 -15.978 1.00 0.00 C ATOM 1263 CD LYS A 82 14.256 4.806 -16.371 1.00 0.00 C ATOM 1264 CE LYS A 82 14.290 5.794 -15.194 1.00 0.00 C ATOM 1265 NZ LYS A 82 15.146 6.978 -15.446 1.00 0.00 N ATOM 0 H LYS A 82 14.451 0.178 -15.449 1.00 0.00 H new ATOM 0 HA LYS A 82 11.819 1.370 -16.097 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.530 2.252 -17.152 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.996 2.682 -17.882 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.319 3.962 -15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.611 3.303 -14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.262 4.456 -16.603 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.874 5.295 -17.267 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.275 6.128 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.650 5.277 -14.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.540 7.319 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.922 6.715 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.577 7.731 -15.882 1.00 0.00 H new ATOM 1279 N VAL A 83 11.822 -0.061 -18.228 1.00 0.00 N ATOM 1280 CA VAL A 83 11.583 -1.139 -19.171 1.00 0.00 C ATOM 1281 C VAL A 83 10.960 -0.545 -20.437 1.00 0.00 C ATOM 1282 O VAL A 83 10.270 0.473 -20.367 1.00 0.00 O ATOM 1283 CB VAL A 83 10.652 -2.181 -18.515 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.417 -3.098 -17.548 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.452 -1.576 -17.764 1.00 0.00 C ATOM 0 H VAL A 83 11.085 0.644 -18.241 1.00 0.00 H new ATOM 0 HA VAL A 83 12.512 -1.640 -19.443 1.00 0.00 H new ATOM 0 HB VAL A 83 10.261 -2.754 -19.356 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.727 -3.817 -17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.198 -3.630 -18.092 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.870 -2.498 -16.759 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.851 -2.377 -17.334 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.812 -0.925 -16.967 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.843 -0.997 -18.458 1.00 0.00 H new ATOM 1295 N LYS A 84 11.214 -1.154 -21.600 1.00 0.00 N ATOM 1296 CA LYS A 84 10.588 -0.745 -22.860 1.00 0.00 C ATOM 1297 C LYS A 84 9.095 -1.097 -22.870 1.00 0.00 C ATOM 1298 O LYS A 84 8.635 -1.894 -22.047 1.00 0.00 O ATOM 1299 CB LYS A 84 11.339 -1.348 -24.064 1.00 0.00 C ATOM 1300 CG LYS A 84 11.356 -2.888 -24.099 1.00 0.00 C ATOM 1301 CD LYS A 84 11.941 -3.445 -25.409 1.00 0.00 C ATOM 1302 CE LYS A 84 13.402 -3.051 -25.690 1.00 0.00 C ATOM 1303 NZ LYS A 84 14.367 -3.672 -24.746 1.00 0.00 N ATOM 0 H LYS A 84 11.856 -1.941 -21.694 1.00 0.00 H new ATOM 0 HA LYS A 84 10.659 0.339 -22.947 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.881 -0.981 -24.983 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.367 -0.986 -24.054 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.940 -3.260 -23.258 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.340 -3.262 -23.972 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.872 -4.533 -25.386 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.323 -3.104 -26.239 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.661 -3.342 -26.708 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.496 -1.966 -25.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.332 -3.369 -24.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.143 -3.375 -23.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.302 -4.708 -24.815 1.00 0.00 H new ATOM 1317 N GLY A 85 8.357 -0.508 -23.814 1.00 0.00 N ATOM 1318 CA GLY A 85 6.956 -0.809 -24.083 1.00 0.00 C ATOM 1319 C GLY A 85 6.753 -2.310 -24.257 1.00 0.00 C ATOM 1320 O GLY A 85 7.480 -2.919 -25.069 1.00 0.00 O ATOM 1321 OXT GLY A 85 5.853 -2.871 -23.600 1.00 0.00 O ATOM 0 H GLY A 85 8.733 0.213 -24.429 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.337 -0.446 -23.263 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.632 -0.286 -24.983 1.00 0.00 H new TER 1325 GLY A 85