USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 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 14 GLN : amide:sc= -0.0594 K(o=2.4,f=0.21) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -175:sc= 2.44 (180deg=2.34) USER MOD Set 2.1: A 58 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0.977) USER MOD Set 2.2: A 62 SER OG : rot 62:sc= 0.609 USER MOD Set 3.1: A 54 SER OG : rot 99:sc= 0.946 USER MOD Set 3.2: A 71 ASN : amide:sc= 1.1 K(o=2,f=-1.4) USER MOD Set 4.1: A 41 ASN : amide:sc= 0.223 X(o=1.4,f=1.4) USER MOD Set 4.2: A 67 THR OG1 : rot 81:sc= 0.0317 USER MOD Set 4.3: A 68 HIS : no HE2:sc= 1.16 K(o=1.4,f=-3!) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.12 (180deg=1.09) USER MOD Single : A 3 HIS : no HE2:sc= 1.04 K(o=1,f=-3.6!) USER MOD Single : A 12 GLN : amide:sc= 0.42 K(o=0.42,f=-3.5!) USER MOD Single : A 13 TYR OH : rot -6:sc= 1.2 USER MOD Single : A 15 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.744 K(o=0.74,f=-3.1!) USER MOD Single : A 19 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.25) USER MOD Single : A 23 ASN : amide:sc= 1.98 K(o=2,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00105) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.05) USER MOD Single : A 35 THR OG1 : rot 41:sc= 0.959 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 101:sc= 1.1 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 1.31 (180deg=1.26) USER MOD Single : A 47 TYR OH : rot 151:sc= 0.356 USER MOD Single : A 48 CYS SG : rot 140:sc= -1.59 USER MOD Single : A 49 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 53 GLN : amide:sc= 1.25 K(o=1.2,f=-8.1!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 64 MET CE :methyl -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 66 TYR OH : rot -172:sc= 1.31 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 172:sc= 0 (180deg=-0.0979) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 1.43 (180deg=1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.704 1.358 -0.749 1.00 0.00 N ATOM 2 CA ALA A 1 -0.783 0.872 -1.796 1.00 0.00 C ATOM 3 C ALA A 1 -0.142 2.076 -2.499 1.00 0.00 C ATOM 4 O ALA A 1 -0.121 3.184 -1.954 1.00 0.00 O ATOM 5 CB ALA A 1 -1.508 -0.087 -2.763 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.205 0.551 -0.326 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.162 1.854 -0.013 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.394 2.012 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 1 0.021 0.287 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.809 -0.432 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.891 -0.943 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.337 0.436 -3.240 1.00 0.00 H new ATOM 13 N GLU A 2 0.418 1.866 -3.691 1.00 0.00 N ATOM 14 CA GLU A 2 0.933 2.897 -4.581 1.00 0.00 C ATOM 15 C GLU A 2 0.602 2.455 -6.008 1.00 0.00 C ATOM 16 O GLU A 2 0.513 1.252 -6.280 1.00 0.00 O ATOM 17 CB GLU A 2 2.460 3.054 -4.431 1.00 0.00 C ATOM 18 CG GLU A 2 2.928 3.559 -3.059 1.00 0.00 C ATOM 19 CD GLU A 2 4.462 3.640 -2.990 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.036 4.676 -3.395 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.106 2.678 -2.510 1.00 0.00 O ATOM 0 H GLU A 2 0.528 0.928 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 2 0.481 3.859 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.930 2.090 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.816 3.744 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.500 4.543 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.561 2.892 -2.279 1.00 0.00 H new ATOM 28 N HIS A 3 0.476 3.417 -6.921 1.00 0.00 N ATOM 29 CA HIS A 3 0.276 3.206 -8.348 1.00 0.00 C ATOM 30 C HIS A 3 1.087 4.264 -9.095 1.00 0.00 C ATOM 31 O HIS A 3 1.302 5.364 -8.577 1.00 0.00 O ATOM 32 CB HIS A 3 -1.218 3.311 -8.696 1.00 0.00 C ATOM 33 CG HIS A 3 -2.008 2.064 -8.372 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.692 1.787 -7.208 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.192 0.992 -9.205 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.263 0.580 -7.337 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.989 0.048 -8.543 1.00 0.00 N ATOM 0 H HIS A 3 0.513 4.406 -6.672 1.00 0.00 H new ATOM 0 HA HIS A 3 0.610 2.210 -8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.649 4.154 -8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.320 3.528 -9.759 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.753 2.394 -6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.791 0.891 -10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.861 0.100 -6.577 1.00 0.00 H new ATOM 45 N TRP A 4 1.508 3.939 -10.318 1.00 0.00 N ATOM 46 CA TRP A 4 2.400 4.755 -11.129 1.00 0.00 C ATOM 47 C TRP A 4 1.794 4.914 -12.514 1.00 0.00 C ATOM 48 O TRP A 4 1.331 3.934 -13.099 1.00 0.00 O ATOM 49 CB TRP A 4 3.774 4.084 -11.233 1.00 0.00 C ATOM 50 CG TRP A 4 4.659 4.278 -10.043 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.781 3.448 -8.983 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.564 5.391 -9.781 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.697 3.966 -8.089 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.220 5.163 -8.534 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.895 6.571 -10.479 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.168 6.059 -8.016 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.842 7.476 -9.967 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.483 7.220 -8.742 1.00 0.00 C ATOM 0 H TRP A 4 1.227 3.075 -10.781 1.00 0.00 H new ATOM 0 HA TRP A 4 2.526 5.734 -10.667 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.630 3.015 -11.390 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.285 4.470 -12.115 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.243 2.520 -8.855 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.955 3.519 -7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.413 6.783 -11.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.650 5.858 -7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.079 8.374 -10.519 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.216 7.915 -8.360 1.00 0.00 H new ATOM 69 N ILE A 5 1.830 6.132 -13.053 1.00 0.00 N ATOM 70 CA ILE A 5 1.295 6.447 -14.367 1.00 0.00 C ATOM 71 C ILE A 5 2.313 7.357 -15.061 1.00 0.00 C ATOM 72 O ILE A 5 2.794 8.332 -14.478 1.00 0.00 O ATOM 73 CB ILE A 5 -0.111 7.095 -14.249 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.180 6.181 -13.593 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.633 7.483 -15.638 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.335 6.400 -12.085 1.00 0.00 C ATOM 0 H ILE A 5 2.239 6.936 -12.578 1.00 0.00 H new ATOM 0 HA ILE A 5 1.151 5.547 -14.964 1.00 0.00 H new ATOM 0 HB ILE A 5 0.031 7.963 -13.605 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.141 6.355 -14.077 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.916 5.139 -13.775 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.620 7.936 -15.542 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.051 8.196 -16.098 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.702 6.592 -16.263 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.099 5.727 -11.696 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.386 6.197 -11.588 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.630 7.432 -11.896 1.00 0.00 H new ATOM 88 N ASP A 6 2.644 7.014 -16.304 1.00 0.00 N ATOM 89 CA ASP A 6 3.377 7.870 -17.226 1.00 0.00 C ATOM 90 C ASP A 6 2.332 8.769 -17.870 1.00 0.00 C ATOM 91 O ASP A 6 1.435 8.275 -18.557 1.00 0.00 O ATOM 92 CB ASP A 6 4.057 7.034 -18.317 1.00 0.00 C ATOM 93 CG ASP A 6 4.431 7.852 -19.567 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.638 9.083 -19.483 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.499 7.231 -20.649 1.00 0.00 O ATOM 0 H ASP A 6 2.402 6.108 -16.706 1.00 0.00 H new ATOM 0 HA ASP A 6 4.152 8.433 -16.706 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.958 6.578 -17.907 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.393 6.221 -18.609 1.00 0.00 H new ATOM 100 N VAL A 7 2.441 10.074 -17.647 1.00 0.00 N ATOM 101 CA VAL A 7 1.441 11.042 -18.095 1.00 0.00 C ATOM 102 C VAL A 7 1.904 11.849 -19.316 1.00 0.00 C ATOM 103 O VAL A 7 1.382 12.937 -19.560 1.00 0.00 O ATOM 104 CB VAL A 7 0.920 11.891 -16.917 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.322 11.013 -15.808 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.028 12.769 -16.313 1.00 0.00 C ATOM 0 H VAL A 7 3.226 10.494 -17.149 1.00 0.00 H new ATOM 0 HA VAL A 7 0.576 10.489 -18.462 1.00 0.00 H new ATOM 0 HB VAL A 7 0.140 12.533 -17.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.034 11.646 -14.995 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.510 10.436 -16.210 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.086 10.333 -15.430 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.621 13.351 -15.486 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.836 12.135 -15.947 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.414 13.444 -17.077 1.00 0.00 H new ATOM 116 N ARG A 8 2.850 11.348 -20.118 1.00 0.00 N ATOM 117 CA ARG A 8 3.267 12.015 -21.354 1.00 0.00 C ATOM 118 C ARG A 8 2.833 11.212 -22.573 1.00 0.00 C ATOM 119 O ARG A 8 2.117 10.218 -22.458 1.00 0.00 O ATOM 120 CB ARG A 8 4.783 12.275 -21.338 1.00 0.00 C ATOM 121 CG ARG A 8 5.089 13.649 -21.958 1.00 0.00 C ATOM 122 CD ARG A 8 6.589 13.858 -22.139 1.00 0.00 C ATOM 123 NE ARG A 8 6.874 15.287 -22.351 1.00 0.00 N ATOM 124 CZ ARG A 8 7.642 15.858 -23.283 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.322 15.132 -24.167 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.720 17.182 -23.292 1.00 0.00 N ATOM 0 H ARG A 8 3.344 10.476 -19.930 1.00 0.00 H new ATOM 0 HA ARG A 8 2.772 12.984 -21.418 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.156 12.238 -20.314 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.300 11.493 -21.894 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.590 13.733 -22.923 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.685 14.435 -21.320 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.124 13.498 -21.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.946 13.277 -22.989 1.00 0.00 H new ATOM 0 HE ARG A 8 6.424 15.928 -21.697 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.264 14.114 -24.143 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.901 15.594 -24.868 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.204 17.728 -22.602 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.296 17.654 -23.989 1.00 0.00 H new ATOM 140 N VAL A 9 3.237 11.672 -23.754 1.00 0.00 N ATOM 141 CA VAL A 9 2.996 10.989 -25.016 1.00 0.00 C ATOM 142 C VAL A 9 3.660 9.598 -24.997 1.00 0.00 C ATOM 143 O VAL A 9 4.698 9.435 -24.347 1.00 0.00 O ATOM 144 CB VAL A 9 3.498 11.866 -26.185 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.477 12.970 -26.495 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.866 12.526 -25.920 1.00 0.00 C ATOM 0 H VAL A 9 3.751 12.547 -23.860 1.00 0.00 H new ATOM 0 HA VAL A 9 1.927 10.833 -25.159 1.00 0.00 H new ATOM 0 HB VAL A 9 3.618 11.190 -27.032 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.842 13.581 -27.320 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.525 12.518 -26.772 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.339 13.596 -25.613 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.154 13.126 -26.783 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.797 13.166 -25.040 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.616 11.753 -25.749 1.00 0.00 H new ATOM 156 N PRO A 10 3.110 8.603 -25.723 1.00 0.00 N ATOM 157 CA PRO A 10 3.654 7.247 -25.779 1.00 0.00 C ATOM 158 C PRO A 10 5.130 7.155 -26.172 1.00 0.00 C ATOM 159 O PRO A 10 5.771 6.158 -25.850 1.00 0.00 O ATOM 160 CB PRO A 10 2.798 6.491 -26.801 1.00 0.00 C ATOM 161 CG PRO A 10 1.466 7.230 -26.782 1.00 0.00 C ATOM 162 CD PRO A 10 1.866 8.672 -26.483 1.00 0.00 C ATOM 0 HA PRO A 10 3.615 6.823 -24.776 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.251 6.509 -27.792 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.678 5.444 -26.524 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.947 7.147 -27.737 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.797 6.832 -26.019 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.005 9.236 -27.405 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.089 9.181 -25.912 1.00 0.00 H new ATOM 170 N GLU A 11 5.683 8.146 -26.880 1.00 0.00 N ATOM 171 CA GLU A 11 7.039 8.056 -27.409 1.00 0.00 C ATOM 172 C GLU A 11 8.109 7.915 -26.316 1.00 0.00 C ATOM 173 O GLU A 11 9.142 7.312 -26.608 1.00 0.00 O ATOM 174 CB GLU A 11 7.346 9.198 -28.392 1.00 0.00 C ATOM 175 CG GLU A 11 7.219 10.600 -27.789 1.00 0.00 C ATOM 176 CD GLU A 11 7.663 11.685 -28.787 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.845 12.119 -29.631 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.834 12.124 -28.734 1.00 0.00 O ATOM 0 H GLU A 11 5.206 9.021 -27.098 1.00 0.00 H new ATOM 0 HA GLU A 11 7.083 7.126 -27.977 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.359 9.070 -28.774 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.671 9.119 -29.244 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.185 10.778 -27.493 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.825 10.665 -26.885 1.00 0.00 H new ATOM 185 N GLN A 12 7.894 8.392 -25.073 1.00 0.00 N ATOM 186 CA GLN A 12 8.825 8.035 -23.997 1.00 0.00 C ATOM 187 C GLN A 12 8.680 6.542 -23.668 1.00 0.00 C ATOM 188 O GLN A 12 9.666 5.807 -23.713 1.00 0.00 O ATOM 189 CB GLN A 12 8.738 8.950 -22.754 1.00 0.00 C ATOM 190 CG GLN A 12 7.404 9.052 -21.994 1.00 0.00 C ATOM 191 CD GLN A 12 7.618 9.646 -20.594 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.662 10.863 -20.415 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.820 8.807 -19.583 1.00 0.00 N ATOM 0 H GLN A 12 7.119 8.998 -24.802 1.00 0.00 H new ATOM 0 HA GLN A 12 9.836 8.211 -24.364 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.495 8.615 -22.045 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.016 9.956 -23.066 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.707 9.674 -22.555 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.952 8.064 -21.909 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.782 7.800 -19.741 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.013 9.170 -18.650 1.00 0.00 H new ATOM 202 N TYR A 13 7.447 6.074 -23.437 1.00 0.00 N ATOM 203 CA TYR A 13 7.127 4.703 -23.038 1.00 0.00 C ATOM 204 C TYR A 13 7.687 3.685 -24.038 1.00 0.00 C ATOM 205 O TYR A 13 8.199 2.634 -23.644 1.00 0.00 O ATOM 206 CB TYR A 13 5.597 4.575 -22.910 1.00 0.00 C ATOM 207 CG TYR A 13 5.106 3.466 -21.997 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.885 3.732 -20.631 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.818 2.189 -22.512 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.401 2.727 -19.776 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.319 1.181 -21.666 1.00 0.00 C ATOM 212 CZ TYR A 13 4.121 1.439 -20.290 1.00 0.00 C ATOM 213 OH TYR A 13 3.656 0.449 -19.477 1.00 0.00 O ATOM 0 H TYR A 13 6.618 6.662 -23.527 1.00 0.00 H new ATOM 0 HA TYR A 13 7.594 4.486 -22.077 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.200 5.523 -22.547 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.179 4.415 -23.904 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.089 4.717 -20.238 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.980 1.982 -23.559 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.243 2.938 -18.729 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.086 0.207 -22.069 1.00 0.00 H new ATOM 0 HH TYR A 13 3.662 0.759 -18.547 1.00 0.00 H new ATOM 223 N GLN A 14 7.646 4.037 -25.328 1.00 0.00 N ATOM 224 CA GLN A 14 8.159 3.243 -26.435 1.00 0.00 C ATOM 225 C GLN A 14 9.670 2.982 -26.368 1.00 0.00 C ATOM 226 O GLN A 14 10.137 2.126 -27.122 1.00 0.00 O ATOM 227 CB GLN A 14 7.779 3.906 -27.772 1.00 0.00 C ATOM 228 CG GLN A 14 6.306 3.679 -28.157 1.00 0.00 C ATOM 229 CD GLN A 14 5.970 2.218 -28.488 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.827 1.419 -28.863 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.712 1.831 -28.359 1.00 0.00 N ATOM 0 H GLN A 14 7.237 4.919 -25.635 1.00 0.00 H new ATOM 0 HA GLN A 14 7.690 2.262 -26.357 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.971 4.977 -27.708 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.420 3.513 -28.561 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.670 4.011 -27.336 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.065 4.302 -29.019 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.003 2.495 -28.048 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.450 0.868 -28.571 1.00 0.00 H new ATOM 240 N GLN A 15 10.435 3.641 -25.490 1.00 0.00 N ATOM 241 CA GLN A 15 11.857 3.367 -25.308 1.00 0.00 C ATOM 242 C GLN A 15 12.215 3.125 -23.839 1.00 0.00 C ATOM 243 O GLN A 15 12.986 2.203 -23.576 1.00 0.00 O ATOM 244 CB GLN A 15 12.718 4.456 -25.968 1.00 0.00 C ATOM 245 CG GLN A 15 12.371 5.897 -25.567 1.00 0.00 C ATOM 246 CD GLN A 15 13.434 6.880 -26.052 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.375 7.398 -27.166 1.00 0.00 O ATOM 248 NE2 GLN A 15 14.441 7.144 -25.238 1.00 0.00 N ATOM 0 H GLN A 15 10.079 4.382 -24.885 1.00 0.00 H new ATOM 0 HA GLN A 15 12.085 2.433 -25.821 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.763 4.269 -25.722 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.624 4.364 -27.050 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.402 6.170 -25.986 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.280 5.963 -24.483 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.479 6.709 -24.316 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.180 7.783 -25.531 1.00 0.00 H new ATOM 257 N GLU A 16 11.633 3.853 -22.879 1.00 0.00 N ATOM 258 CA GLU A 16 11.745 3.514 -21.466 1.00 0.00 C ATOM 259 C GLU A 16 10.578 4.104 -20.673 1.00 0.00 C ATOM 260 O GLU A 16 10.117 5.215 -20.937 1.00 0.00 O ATOM 261 CB GLU A 16 13.109 3.906 -20.855 1.00 0.00 C ATOM 262 CG GLU A 16 13.388 5.403 -20.650 1.00 0.00 C ATOM 263 CD GLU A 16 13.609 6.194 -21.953 1.00 0.00 C ATOM 264 OE1 GLU A 16 14.466 5.800 -22.778 1.00 0.00 O ATOM 265 OE2 GLU A 16 12.989 7.265 -22.130 1.00 0.00 O ATOM 0 H GLU A 16 11.076 4.687 -23.063 1.00 0.00 H new ATOM 0 HA GLU A 16 11.692 2.428 -21.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.200 3.411 -19.888 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.893 3.502 -21.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.552 5.845 -20.109 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.270 5.513 -20.019 1.00 0.00 H new ATOM 272 N HIS A 17 10.139 3.375 -19.654 1.00 0.00 N ATOM 273 CA HIS A 17 9.198 3.828 -18.648 1.00 0.00 C ATOM 274 C HIS A 17 9.639 3.243 -17.312 1.00 0.00 C ATOM 275 O HIS A 17 10.301 2.202 -17.279 1.00 0.00 O ATOM 276 CB HIS A 17 7.776 3.386 -19.022 1.00 0.00 C ATOM 277 CG HIS A 17 7.546 1.894 -19.050 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.253 1.094 -17.967 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.513 1.095 -20.161 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.055 -0.155 -18.417 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.202 -0.210 -19.753 1.00 0.00 N ATOM 0 H HIS A 17 10.444 2.413 -19.504 1.00 0.00 H new ATOM 0 HA HIS A 17 9.185 4.916 -18.581 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.078 3.831 -18.313 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.535 3.792 -20.004 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.197 1.397 -16.995 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.695 1.415 -21.176 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.811 -1.001 -17.791 1.00 0.00 H new ATOM 289 N VAL A 18 9.270 3.904 -16.217 1.00 0.00 N ATOM 290 CA VAL A 18 9.445 3.399 -14.861 1.00 0.00 C ATOM 291 C VAL A 18 8.746 2.041 -14.776 1.00 0.00 C ATOM 292 O VAL A 18 7.613 1.886 -15.246 1.00 0.00 O ATOM 293 CB VAL A 18 8.908 4.457 -13.873 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.721 3.928 -12.444 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.871 5.657 -13.828 1.00 0.00 C ATOM 0 H VAL A 18 8.832 4.825 -16.250 1.00 0.00 H new ATOM 0 HA VAL A 18 10.490 3.236 -14.596 1.00 0.00 H new ATOM 0 HB VAL A 18 7.924 4.746 -14.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.341 4.727 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.010 3.102 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.678 3.579 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.490 6.403 -13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.855 5.322 -13.500 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.950 6.097 -14.822 1.00 0.00 H new ATOM 305 N GLN A 19 9.434 1.046 -14.213 1.00 0.00 N ATOM 306 CA GLN A 19 8.915 -0.304 -14.067 1.00 0.00 C ATOM 307 C GLN A 19 7.586 -0.239 -13.301 1.00 0.00 C ATOM 308 O GLN A 19 7.543 0.242 -12.167 1.00 0.00 O ATOM 309 CB GLN A 19 9.990 -1.176 -13.389 1.00 0.00 C ATOM 310 CG GLN A 19 9.643 -2.672 -13.297 1.00 0.00 C ATOM 311 CD GLN A 19 8.761 -3.016 -12.092 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.238 -3.128 -10.965 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.464 -3.194 -12.292 1.00 0.00 N ATOM 0 H GLN A 19 10.377 1.162 -13.843 1.00 0.00 H new ATOM 0 HA GLN A 19 8.698 -0.769 -15.029 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.925 -1.067 -13.938 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.165 -0.795 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.133 -2.976 -14.211 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.566 -3.249 -13.240 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.075 -3.099 -13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.854 -3.426 -11.508 1.00 0.00 H new ATOM 322 N GLY A 20 6.509 -0.718 -13.934 1.00 0.00 N ATOM 323 CA GLY A 20 5.176 -0.807 -13.340 1.00 0.00 C ATOM 324 C GLY A 20 4.258 0.344 -13.757 1.00 0.00 C ATOM 325 O GLY A 20 3.047 0.257 -13.541 1.00 0.00 O ATOM 0 H GLY A 20 6.544 -1.061 -14.894 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.718 -1.753 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.268 -0.816 -12.254 1.00 0.00 H new ATOM 329 N ALA A 21 4.803 1.411 -14.352 1.00 0.00 N ATOM 330 CA ALA A 21 4.000 2.509 -14.884 1.00 0.00 C ATOM 331 C ALA A 21 3.222 2.070 -16.124 1.00 0.00 C ATOM 332 O ALA A 21 3.588 1.115 -16.814 1.00 0.00 O ATOM 333 CB ALA A 21 4.878 3.723 -15.216 1.00 0.00 C ATOM 0 H ALA A 21 5.808 1.534 -14.476 1.00 0.00 H new ATOM 0 HA ALA A 21 3.287 2.797 -14.112 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.255 4.526 -15.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.382 4.065 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.621 3.441 -15.962 1.00 0.00 H new ATOM 339 N ILE A 22 2.188 2.845 -16.445 1.00 0.00 N ATOM 340 CA ILE A 22 1.296 2.652 -17.580 1.00 0.00 C ATOM 341 C ILE A 22 1.112 4.014 -18.252 1.00 0.00 C ATOM 342 O ILE A 22 1.007 5.027 -17.558 1.00 0.00 O ATOM 343 CB ILE A 22 -0.033 2.016 -17.104 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.710 2.786 -15.941 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.209 0.540 -16.732 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.060 2.203 -15.510 1.00 0.00 C ATOM 0 H ILE A 22 1.940 3.665 -15.891 1.00 0.00 H new ATOM 0 HA ILE A 22 1.710 1.959 -18.313 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.736 2.077 -17.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.038 2.792 -15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.853 3.824 -16.241 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.726 0.091 -16.397 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.578 0.001 -17.604 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.946 0.483 -15.931 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.469 2.797 -14.693 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.751 2.222 -16.353 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.922 1.174 -15.177 1.00 0.00 H new ATOM 358 N ASN A 23 1.135 4.057 -19.587 1.00 0.00 N ATOM 359 CA ASN A 23 1.028 5.306 -20.337 1.00 0.00 C ATOM 360 C ASN A 23 -0.430 5.761 -20.381 1.00 0.00 C ATOM 361 O ASN A 23 -1.272 5.065 -20.953 1.00 0.00 O ATOM 362 CB ASN A 23 1.577 5.144 -21.761 1.00 0.00 C ATOM 363 CG ASN A 23 1.407 6.452 -22.524 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.484 6.608 -23.313 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.264 7.421 -22.273 1.00 0.00 N ATOM 0 H ASN A 23 1.228 3.228 -20.174 1.00 0.00 H new ATOM 0 HA ASN A 23 1.626 6.064 -19.830 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.630 4.865 -21.726 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.051 4.340 -22.275 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.165 8.323 -22.740 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.026 7.270 -21.612 1.00 0.00 H new ATOM 372 N ILE A 24 -0.722 6.924 -19.797 1.00 0.00 N ATOM 373 CA ILE A 24 -2.030 7.577 -19.817 1.00 0.00 C ATOM 374 C ILE A 24 -1.751 9.092 -19.917 1.00 0.00 C ATOM 375 O ILE A 24 -1.589 9.739 -18.881 1.00 0.00 O ATOM 376 CB ILE A 24 -2.888 7.205 -18.578 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.948 5.686 -18.286 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.310 7.754 -18.783 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.776 5.309 -17.052 1.00 0.00 C ATOM 0 H ILE A 24 -0.025 7.457 -19.277 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.624 7.241 -20.667 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.408 7.655 -17.709 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.363 5.178 -19.156 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.932 5.314 -18.154 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.926 7.501 -17.920 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.269 8.838 -18.894 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.744 7.313 -19.680 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.764 4.227 -16.922 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.350 5.785 -16.169 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.804 5.647 -17.186 1.00 0.00 H new ATOM 391 N PRO A 25 -1.609 9.657 -21.133 1.00 0.00 N ATOM 392 CA PRO A 25 -1.140 11.026 -21.352 1.00 0.00 C ATOM 393 C PRO A 25 -1.931 12.096 -20.589 1.00 0.00 C ATOM 394 O PRO A 25 -3.119 11.929 -20.318 1.00 0.00 O ATOM 395 CB PRO A 25 -1.232 11.261 -22.865 1.00 0.00 C ATOM 396 CG PRO A 25 -1.121 9.858 -23.454 1.00 0.00 C ATOM 397 CD PRO A 25 -1.827 8.997 -22.412 1.00 0.00 C ATOM 0 HA PRO A 25 -0.125 11.122 -20.968 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.173 11.738 -23.140 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.430 11.909 -23.219 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.603 9.789 -24.429 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.082 9.558 -23.590 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.891 8.913 -22.631 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.422 7.985 -22.403 1.00 0.00 H new ATOM 405 N LEU A 26 -1.295 13.243 -20.332 1.00 0.00 N ATOM 406 CA LEU A 26 -1.839 14.389 -19.596 1.00 0.00 C ATOM 407 C LEU A 26 -3.234 14.803 -20.079 1.00 0.00 C ATOM 408 O LEU A 26 -4.107 15.088 -19.263 1.00 0.00 O ATOM 409 CB LEU A 26 -0.842 15.560 -19.733 1.00 0.00 C ATOM 410 CG LEU A 26 -1.276 16.882 -19.064 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.357 16.747 -17.543 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.272 17.990 -19.400 1.00 0.00 C ATOM 0 H LEU A 26 -0.339 13.406 -20.647 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.962 14.104 -18.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.113 15.253 -19.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.672 15.748 -20.793 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.266 17.130 -19.447 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.665 17.698 -17.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.084 15.977 -17.284 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.379 16.469 -17.150 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.584 18.920 -18.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.716 17.709 -19.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.232 18.130 -20.480 1.00 0.00 H new ATOM 424 N LYS A 27 -3.457 14.817 -21.398 1.00 0.00 N ATOM 425 CA LYS A 27 -4.733 15.231 -21.992 1.00 0.00 C ATOM 426 C LYS A 27 -5.852 14.203 -21.777 1.00 0.00 C ATOM 427 O LYS A 27 -7.004 14.490 -22.099 1.00 0.00 O ATOM 428 CB LYS A 27 -4.546 15.509 -23.497 1.00 0.00 C ATOM 429 CG LYS A 27 -3.466 16.551 -23.847 1.00 0.00 C ATOM 430 CD LYS A 27 -3.707 17.926 -23.200 1.00 0.00 C ATOM 431 CE LYS A 27 -2.656 18.966 -23.620 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.765 19.364 -25.048 1.00 0.00 N ATOM 0 H LYS A 27 -2.756 14.541 -22.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.043 16.143 -21.482 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.297 14.572 -23.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.498 15.845 -23.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.493 16.175 -23.530 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.425 16.670 -24.930 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.699 18.285 -23.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.696 17.821 -22.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.760 19.852 -22.994 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.660 18.561 -23.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.041 20.079 -25.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.621 18.530 -25.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.709 19.762 -25.226 1.00 0.00 H new ATOM 446 N GLU A 28 -5.537 13.016 -21.256 1.00 0.00 N ATOM 447 CA GLU A 28 -6.431 11.863 -21.192 1.00 0.00 C ATOM 448 C GLU A 28 -6.510 11.279 -19.772 1.00 0.00 C ATOM 449 O GLU A 28 -7.461 10.552 -19.467 1.00 0.00 O ATOM 450 CB GLU A 28 -5.936 10.813 -22.206 1.00 0.00 C ATOM 451 CG GLU A 28 -6.128 11.264 -23.662 1.00 0.00 C ATOM 452 CD GLU A 28 -5.697 10.175 -24.661 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.473 9.223 -24.904 1.00 0.00 O ATOM 454 OE2 GLU A 28 -4.593 10.280 -25.241 1.00 0.00 O ATOM 0 H GLU A 28 -4.619 12.826 -20.853 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.444 12.175 -21.447 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.880 10.611 -22.028 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.471 9.877 -22.045 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.175 11.516 -23.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.549 12.170 -23.841 1.00 0.00 H new ATOM 461 N VAL A 29 -5.556 11.615 -18.894 1.00 0.00 N ATOM 462 CA VAL A 29 -5.457 11.116 -17.522 1.00 0.00 C ATOM 463 C VAL A 29 -6.714 11.431 -16.694 1.00 0.00 C ATOM 464 O VAL A 29 -7.069 10.659 -15.803 1.00 0.00 O ATOM 465 CB VAL A 29 -4.141 11.648 -16.878 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.252 13.069 -16.300 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.642 10.682 -15.796 1.00 0.00 C ATOM 0 H VAL A 29 -4.807 12.265 -19.131 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.407 10.027 -17.539 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.420 11.706 -17.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.294 13.363 -15.871 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.523 13.765 -17.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.018 13.088 -15.524 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.722 11.070 -15.358 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.400 10.582 -15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.448 9.706 -16.241 1.00 0.00 H new ATOM 477 N LYS A 30 -7.395 12.545 -17.001 1.00 0.00 N ATOM 478 CA LYS A 30 -8.473 13.112 -16.192 1.00 0.00 C ATOM 479 C LYS A 30 -9.569 12.090 -15.922 1.00 0.00 C ATOM 480 O LYS A 30 -9.986 11.944 -14.778 1.00 0.00 O ATOM 481 CB LYS A 30 -8.993 14.390 -16.885 1.00 0.00 C ATOM 482 CG LYS A 30 -10.051 15.174 -16.085 1.00 0.00 C ATOM 483 CD LYS A 30 -11.486 14.760 -16.441 1.00 0.00 C ATOM 484 CE LYS A 30 -12.513 15.561 -15.634 1.00 0.00 C ATOM 485 NZ LYS A 30 -13.899 15.164 -15.978 1.00 0.00 N ATOM 0 H LYS A 30 -7.202 13.088 -17.843 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.092 13.388 -15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.147 15.048 -17.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.418 14.116 -17.851 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.885 15.017 -15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.927 16.240 -16.273 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.657 14.914 -17.506 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.618 13.696 -16.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.342 15.406 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.379 16.625 -15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.559 15.568 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.136 15.518 -16.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.976 14.127 -15.966 1.00 0.00 H new ATOM 499 N GLU A 31 -10.028 11.379 -16.953 1.00 0.00 N ATOM 500 CA GLU A 31 -11.052 10.353 -16.777 1.00 0.00 C ATOM 501 C GLU A 31 -10.401 9.003 -16.465 1.00 0.00 C ATOM 502 O GLU A 31 -10.868 8.266 -15.597 1.00 0.00 O ATOM 503 CB GLU A 31 -11.905 10.239 -18.052 1.00 0.00 C ATOM 504 CG GLU A 31 -12.861 11.423 -18.265 1.00 0.00 C ATOM 505 CD GLU A 31 -13.987 11.482 -17.215 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.878 10.601 -17.220 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.007 12.431 -16.400 1.00 0.00 O ATOM 0 H GLU A 31 -9.707 11.495 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.693 10.637 -15.942 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.244 10.158 -18.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.486 9.318 -18.008 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.293 12.352 -18.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.302 11.353 -19.259 1.00 0.00 H new ATOM 514 N ARG A 32 -9.308 8.672 -17.161 1.00 0.00 N ATOM 515 CA ARG A 32 -8.728 7.326 -17.150 1.00 0.00 C ATOM 516 C ARG A 32 -8.072 6.959 -15.823 1.00 0.00 C ATOM 517 O ARG A 32 -7.856 5.771 -15.573 1.00 0.00 O ATOM 518 CB ARG A 32 -7.754 7.190 -18.326 1.00 0.00 C ATOM 519 CG ARG A 32 -8.518 7.140 -19.658 1.00 0.00 C ATOM 520 CD ARG A 32 -7.594 7.434 -20.843 1.00 0.00 C ATOM 521 NE ARG A 32 -8.359 7.615 -22.091 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.119 8.671 -22.421 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.208 9.737 -21.621 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.807 8.651 -23.557 1.00 0.00 N ATOM 0 H ARG A 32 -8.800 9.332 -17.749 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.542 6.610 -17.266 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.060 8.031 -18.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.158 6.285 -18.208 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.971 6.156 -19.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.331 7.865 -19.640 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.012 8.332 -20.638 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.885 6.615 -20.965 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.305 6.859 -22.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.693 9.759 -20.741 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.791 10.529 -21.890 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.755 7.838 -24.170 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.387 9.449 -23.816 1.00 0.00 H new ATOM 538 N ILE A 33 -7.800 7.926 -14.945 1.00 0.00 N ATOM 539 CA ILE A 33 -7.379 7.619 -13.586 1.00 0.00 C ATOM 540 C ILE A 33 -8.415 6.731 -12.880 1.00 0.00 C ATOM 541 O ILE A 33 -8.019 5.867 -12.103 1.00 0.00 O ATOM 542 CB ILE A 33 -7.056 8.911 -12.803 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.353 8.603 -11.462 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.315 9.770 -12.569 1.00 0.00 C ATOM 545 CD1 ILE A 33 -4.962 7.975 -11.612 1.00 0.00 C ATOM 0 H ILE A 33 -7.865 8.922 -15.154 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.454 7.044 -13.626 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.368 9.488 -13.421 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.263 9.527 -10.891 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.983 7.930 -10.881 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.044 10.669 -12.015 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.747 10.052 -13.529 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.045 9.197 -11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.538 7.790 -10.625 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.045 7.033 -12.154 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.313 8.655 -12.164 1.00 0.00 H new ATOM 557 N ALA A 34 -9.717 6.878 -13.171 1.00 0.00 N ATOM 558 CA ALA A 34 -10.756 6.092 -12.515 1.00 0.00 C ATOM 559 C ALA A 34 -10.595 4.601 -12.824 1.00 0.00 C ATOM 560 O ALA A 34 -10.757 3.766 -11.934 1.00 0.00 O ATOM 561 CB ALA A 34 -12.139 6.590 -12.947 1.00 0.00 C ATOM 0 H ALA A 34 -10.070 7.540 -13.862 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.658 6.219 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.910 5.998 -12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.252 7.638 -12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.241 6.489 -14.028 1.00 0.00 H new ATOM 567 N THR A 35 -10.261 4.257 -14.069 1.00 0.00 N ATOM 568 CA THR A 35 -9.990 2.884 -14.473 1.00 0.00 C ATOM 569 C THR A 35 -8.633 2.404 -13.933 1.00 0.00 C ATOM 570 O THR A 35 -8.513 1.242 -13.539 1.00 0.00 O ATOM 571 CB THR A 35 -10.087 2.775 -16.012 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.742 3.985 -16.672 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.527 2.460 -16.433 1.00 0.00 C ATOM 0 H THR A 35 -10.171 4.932 -14.828 1.00 0.00 H new ATOM 0 HA THR A 35 -10.739 2.222 -14.039 1.00 0.00 H new ATOM 0 HB THR A 35 -9.390 1.986 -16.294 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.968 4.391 -16.228 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.581 2.386 -17.519 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.837 1.514 -15.989 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.189 3.256 -16.090 1.00 0.00 H new ATOM 581 N ALA A 36 -7.619 3.279 -13.884 1.00 0.00 N ATOM 582 CA ALA A 36 -6.282 2.917 -13.422 1.00 0.00 C ATOM 583 C ALA A 36 -6.249 2.652 -11.911 1.00 0.00 C ATOM 584 O ALA A 36 -5.607 1.699 -11.469 1.00 0.00 O ATOM 585 CB ALA A 36 -5.301 4.038 -13.781 1.00 0.00 C ATOM 0 H ALA A 36 -7.708 4.256 -14.164 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.991 1.992 -13.920 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.302 3.771 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.288 4.178 -14.862 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.615 4.964 -13.299 1.00 0.00 H new ATOM 591 N VAL A 37 -6.929 3.491 -11.125 1.00 0.00 N ATOM 592 CA VAL A 37 -6.887 3.515 -9.667 1.00 0.00 C ATOM 593 C VAL A 37 -8.307 3.846 -9.170 1.00 0.00 C ATOM 594 O VAL A 37 -8.621 5.017 -8.939 1.00 0.00 O ATOM 595 CB VAL A 37 -5.815 4.501 -9.156 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.603 4.329 -7.644 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.448 4.375 -9.853 1.00 0.00 C ATOM 0 H VAL A 37 -7.551 4.203 -11.509 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.590 2.546 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.208 5.489 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.844 5.032 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.540 4.522 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.275 3.311 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.756 5.105 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.053 3.371 -9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.566 4.560 -10.921 1.00 0.00 H new ATOM 607 N PRO A 38 -9.204 2.847 -9.058 1.00 0.00 N ATOM 608 CA PRO A 38 -10.579 3.062 -8.614 1.00 0.00 C ATOM 609 C PRO A 38 -10.689 3.736 -7.239 1.00 0.00 C ATOM 610 O PRO A 38 -11.583 4.559 -7.029 1.00 0.00 O ATOM 611 CB PRO A 38 -11.230 1.674 -8.600 1.00 0.00 C ATOM 612 CG PRO A 38 -10.414 0.882 -9.619 1.00 0.00 C ATOM 613 CD PRO A 38 -9.011 1.461 -9.459 1.00 0.00 C ATOM 0 HA PRO A 38 -11.081 3.753 -9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.184 1.220 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.282 1.722 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.436 -0.188 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.793 1.016 -10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.443 0.911 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.452 1.397 -10.392 1.00 0.00 H new ATOM 621 N ASP A 39 -9.806 3.389 -6.294 1.00 0.00 N ATOM 622 CA ASP A 39 -9.818 3.947 -4.943 1.00 0.00 C ATOM 623 C ASP A 39 -9.042 5.263 -4.923 1.00 0.00 C ATOM 624 O ASP A 39 -7.810 5.266 -4.865 1.00 0.00 O ATOM 625 CB ASP A 39 -9.232 2.962 -3.922 1.00 0.00 C ATOM 626 CG ASP A 39 -9.146 3.576 -2.510 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.785 4.620 -2.244 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.458 2.984 -1.647 1.00 0.00 O ATOM 0 H ASP A 39 -9.061 2.710 -6.450 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.854 4.134 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.849 2.064 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.237 2.654 -4.245 1.00 0.00 H new ATOM 633 N LYS A 40 -9.756 6.392 -4.964 1.00 0.00 N ATOM 634 CA LYS A 40 -9.127 7.712 -4.969 1.00 0.00 C ATOM 635 C LYS A 40 -8.317 8.027 -3.707 1.00 0.00 C ATOM 636 O LYS A 40 -7.536 8.979 -3.719 1.00 0.00 O ATOM 637 CB LYS A 40 -10.139 8.800 -5.343 1.00 0.00 C ATOM 638 CG LYS A 40 -11.028 9.202 -4.169 1.00 0.00 C ATOM 639 CD LYS A 40 -12.078 10.224 -4.605 1.00 0.00 C ATOM 640 CE LYS A 40 -12.662 10.792 -3.315 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.777 11.742 -3.553 1.00 0.00 N ATOM 0 H LYS A 40 -10.775 6.415 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.371 7.695 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.605 9.678 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.764 8.444 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.521 8.319 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.416 9.622 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.630 11.011 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.852 9.755 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.018 9.972 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.874 11.298 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.133 12.095 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.436 12.541 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.544 11.257 -4.060 1.00 0.00 H new ATOM 655 N ASN A 41 -8.490 7.269 -2.619 1.00 0.00 N ATOM 656 CA ASN A 41 -7.719 7.481 -1.399 1.00 0.00 C ATOM 657 C ASN A 41 -6.346 6.803 -1.465 1.00 0.00 C ATOM 658 O ASN A 41 -5.500 7.059 -0.607 1.00 0.00 O ATOM 659 CB ASN A 41 -8.521 7.003 -0.181 1.00 0.00 C ATOM 660 CG ASN A 41 -7.860 7.356 1.150 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.603 6.485 1.976 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.611 8.629 1.417 1.00 0.00 N ATOM 0 H ASN A 41 -9.160 6.502 -2.563 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.534 8.550 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.517 7.445 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.650 5.922 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.203 8.892 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.827 9.347 0.725 1.00 0.00 H new ATOM 669 N ASP A 42 -6.102 5.933 -2.451 1.00 0.00 N ATOM 670 CA ASP A 42 -4.817 5.250 -2.603 1.00 0.00 C ATOM 671 C ASP A 42 -3.718 6.227 -3.043 1.00 0.00 C ATOM 672 O ASP A 42 -4.010 7.263 -3.648 1.00 0.00 O ATOM 673 CB ASP A 42 -4.939 4.102 -3.612 1.00 0.00 C ATOM 674 CG ASP A 42 -3.668 3.246 -3.617 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.149 2.962 -2.513 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.212 2.844 -4.708 1.00 0.00 O ATOM 0 H ASP A 42 -6.789 5.684 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.538 4.841 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.800 3.482 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.115 4.505 -4.609 1.00 0.00 H new ATOM 681 N THR A 43 -2.454 5.913 -2.752 1.00 0.00 N ATOM 682 CA THR A 43 -1.319 6.727 -3.175 1.00 0.00 C ATOM 683 C THR A 43 -1.161 6.618 -4.697 1.00 0.00 C ATOM 684 O THR A 43 -1.260 5.522 -5.254 1.00 0.00 O ATOM 685 CB THR A 43 -0.026 6.282 -2.463 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.273 5.801 -1.155 1.00 0.00 O ATOM 687 CG2 THR A 43 1.004 7.413 -2.385 1.00 0.00 C ATOM 0 H THR A 43 -2.191 5.086 -2.216 1.00 0.00 H new ATOM 0 HA THR A 43 -1.505 7.766 -2.903 1.00 0.00 H new ATOM 0 HB THR A 43 0.376 5.470 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.273 4.821 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.899 7.056 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.265 7.738 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.582 8.252 -1.831 1.00 0.00 H new ATOM 695 N VAL A 44 -0.846 7.724 -5.370 1.00 0.00 N ATOM 696 CA VAL A 44 -0.611 7.749 -6.810 1.00 0.00 C ATOM 697 C VAL A 44 0.621 8.608 -7.054 1.00 0.00 C ATOM 698 O VAL A 44 0.797 9.647 -6.417 1.00 0.00 O ATOM 699 CB VAL A 44 -1.858 8.286 -7.553 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.635 8.298 -9.072 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.113 7.445 -7.273 1.00 0.00 C ATOM 0 H VAL A 44 -0.746 8.636 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.435 6.746 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.011 9.298 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.527 8.680 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.786 8.938 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.433 7.284 -9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.960 7.863 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.943 6.419 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.327 7.456 -6.204 1.00 0.00 H new ATOM 711 N LYS A 45 1.469 8.190 -7.991 1.00 0.00 N ATOM 712 CA LYS A 45 2.652 8.933 -8.382 1.00 0.00 C ATOM 713 C LYS A 45 2.641 9.061 -9.894 1.00 0.00 C ATOM 714 O LYS A 45 2.359 8.103 -10.618 1.00 0.00 O ATOM 715 CB LYS A 45 3.914 8.243 -7.843 1.00 0.00 C ATOM 716 CG LYS A 45 4.034 8.460 -6.325 1.00 0.00 C ATOM 717 CD LYS A 45 5.223 7.714 -5.715 1.00 0.00 C ATOM 718 CE LYS A 45 5.308 8.035 -4.216 1.00 0.00 C ATOM 719 NZ LYS A 45 6.258 7.147 -3.508 1.00 0.00 N ATOM 0 H LYS A 45 1.348 7.316 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 45 2.653 9.935 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.875 7.176 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.796 8.640 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.136 9.526 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.115 8.129 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.108 6.640 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.146 8.007 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.616 9.072 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.319 7.937 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.556 7.596 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.795 6.240 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.091 6.981 -4.108 1.00 0.00 H new ATOM 733 N VAL A 46 2.946 10.262 -10.359 1.00 0.00 N ATOM 734 CA VAL A 46 3.030 10.611 -11.770 1.00 0.00 C ATOM 735 C VAL A 46 4.429 11.180 -12.008 1.00 0.00 C ATOM 736 O VAL A 46 5.006 11.799 -11.113 1.00 0.00 O ATOM 737 CB VAL A 46 1.886 11.576 -12.158 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.531 10.855 -12.119 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.781 12.827 -11.271 1.00 0.00 C ATOM 0 H VAL A 46 3.149 11.049 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 46 2.895 9.743 -12.415 1.00 0.00 H new ATOM 0 HB VAL A 46 2.135 11.907 -13.166 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.260 11.552 -12.395 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.542 10.022 -12.821 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.348 10.479 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.953 13.448 -11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.606 12.527 -10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.709 13.395 -11.332 1.00 0.00 H new ATOM 749 N TYR A 47 4.984 10.960 -13.197 1.00 0.00 N ATOM 750 CA TYR A 47 6.305 11.405 -13.618 1.00 0.00 C ATOM 751 C TYR A 47 6.248 11.626 -15.131 1.00 0.00 C ATOM 752 O TYR A 47 5.302 11.170 -15.788 1.00 0.00 O ATOM 753 CB TYR A 47 7.381 10.361 -13.262 1.00 0.00 C ATOM 754 CG TYR A 47 7.337 9.118 -14.131 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.276 8.202 -14.010 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.317 8.924 -15.122 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.179 7.112 -14.888 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.240 7.822 -15.990 1.00 0.00 C ATOM 759 CZ TYR A 47 7.166 6.919 -15.880 1.00 0.00 C ATOM 760 OH TYR A 47 7.112 5.858 -16.729 1.00 0.00 O ATOM 0 H TYR A 47 4.498 10.440 -13.928 1.00 0.00 H new ATOM 0 HA TYR A 47 6.576 12.327 -13.103 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.365 10.821 -13.352 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.260 10.069 -12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.533 8.338 -13.238 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.132 9.626 -15.216 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.352 6.422 -14.806 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.002 7.668 -16.739 1.00 0.00 H new ATOM 0 HH TYR A 47 7.534 6.098 -17.580 1.00 0.00 H new ATOM 770 N CYS A 48 7.236 12.325 -15.692 1.00 0.00 N ATOM 771 CA CYS A 48 7.212 12.733 -17.088 1.00 0.00 C ATOM 772 C CYS A 48 8.625 13.086 -17.559 1.00 0.00 C ATOM 773 O CYS A 48 9.468 13.474 -16.752 1.00 0.00 O ATOM 774 CB CYS A 48 6.282 13.954 -17.167 1.00 0.00 C ATOM 775 SG CYS A 48 6.098 14.530 -18.865 1.00 0.00 S ATOM 0 H CYS A 48 8.072 12.621 -15.188 1.00 0.00 H new ATOM 0 HA CYS A 48 6.852 11.932 -17.734 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.304 13.696 -16.761 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.681 14.758 -16.549 1.00 0.00 H new ATOM 0 HG CYS A 48 4.862 14.873 -19.075 1.00 0.00 H new ATOM 781 N ASN A 49 8.875 13.027 -18.873 1.00 0.00 N ATOM 782 CA ASN A 49 10.092 13.551 -19.504 1.00 0.00 C ATOM 783 C ASN A 49 10.341 15.034 -19.175 1.00 0.00 C ATOM 784 O ASN A 49 11.488 15.478 -19.211 1.00 0.00 O ATOM 785 CB ASN A 49 10.034 13.358 -21.028 1.00 0.00 C ATOM 786 CG ASN A 49 11.365 13.727 -21.681 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.402 13.146 -21.373 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.373 14.685 -22.595 1.00 0.00 N ATOM 0 H ASN A 49 8.226 12.607 -19.538 1.00 0.00 H new ATOM 0 HA ASN A 49 10.926 12.982 -19.093 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.788 12.321 -21.257 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.238 13.974 -21.446 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.247 14.947 -23.051 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.505 15.161 -22.843 1.00 0.00 H new ATOM 795 N ALA A 50 9.294 15.788 -18.819 1.00 0.00 N ATOM 796 CA ALA A 50 9.379 17.140 -18.288 1.00 0.00 C ATOM 797 C ALA A 50 8.502 17.174 -17.038 1.00 0.00 C ATOM 798 O ALA A 50 7.277 17.169 -17.138 1.00 0.00 O ATOM 799 CB ALA A 50 8.931 18.153 -19.349 1.00 0.00 C ATOM 0 H ALA A 50 8.333 15.455 -18.898 1.00 0.00 H new ATOM 0 HA ALA A 50 10.401 17.412 -18.025 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.999 19.161 -18.941 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.575 18.072 -20.224 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.900 17.947 -19.637 1.00 0.00 H new ATOM 805 N GLY A 51 9.125 17.178 -15.858 1.00 0.00 N ATOM 806 CA GLY A 51 8.462 16.984 -14.566 1.00 0.00 C ATOM 807 C GLY A 51 7.373 18.011 -14.260 1.00 0.00 C ATOM 808 O GLY A 51 6.452 17.724 -13.494 1.00 0.00 O ATOM 0 H GLY A 51 10.131 17.320 -15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.022 15.987 -14.542 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.212 17.021 -13.776 1.00 0.00 H new ATOM 812 N ARG A 52 7.430 19.200 -14.869 1.00 0.00 N ATOM 813 CA ARG A 52 6.352 20.183 -14.785 1.00 0.00 C ATOM 814 C ARG A 52 5.025 19.614 -15.288 1.00 0.00 C ATOM 815 O ARG A 52 3.986 19.906 -14.705 1.00 0.00 O ATOM 816 CB ARG A 52 6.743 21.484 -15.488 1.00 0.00 C ATOM 817 CG ARG A 52 6.932 21.373 -17.005 1.00 0.00 C ATOM 818 CD ARG A 52 7.398 22.738 -17.501 1.00 0.00 C ATOM 819 NE ARG A 52 7.599 22.748 -18.962 1.00 0.00 N ATOM 820 CZ ARG A 52 8.725 22.427 -19.615 1.00 0.00 C ATOM 821 NH1 ARG A 52 9.824 22.075 -18.951 1.00 0.00 N ATOM 822 NH2 ARG A 52 8.743 22.455 -20.944 1.00 0.00 N ATOM 0 H ARG A 52 8.224 19.505 -15.432 1.00 0.00 H new ATOM 0 HA ARG A 52 6.196 20.424 -13.734 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.976 22.232 -15.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.670 21.852 -15.048 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.666 20.604 -17.246 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.999 21.085 -17.489 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.662 23.495 -17.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.330 23.007 -17.004 1.00 0.00 H new ATOM 0 HE ARG A 52 6.801 23.027 -19.533 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.817 22.047 -17.931 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.673 21.833 -19.462 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.904 22.719 -21.460 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.596 22.212 -21.448 1.00 0.00 H new ATOM 836 N GLN A 53 5.046 18.780 -16.330 1.00 0.00 N ATOM 837 CA GLN A 53 3.847 18.213 -16.932 1.00 0.00 C ATOM 838 C GLN A 53 3.221 17.169 -16.008 1.00 0.00 C ATOM 839 O GLN A 53 1.998 17.130 -15.887 1.00 0.00 O ATOM 840 CB GLN A 53 4.180 17.602 -18.300 1.00 0.00 C ATOM 841 CG GLN A 53 4.694 18.643 -19.308 1.00 0.00 C ATOM 842 CD GLN A 53 4.750 18.078 -20.726 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.799 17.661 -21.212 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.628 18.038 -21.426 1.00 0.00 N ATOM 0 H GLN A 53 5.909 18.478 -16.782 1.00 0.00 H new ATOM 0 HA GLN A 53 3.119 19.011 -17.078 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.933 16.824 -18.172 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.290 17.120 -18.704 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.044 19.518 -19.290 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.688 18.978 -19.010 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.760 18.385 -21.018 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.631 17.660 -22.373 1.00 0.00 H new ATOM 853 N SER A 54 4.015 16.359 -15.300 1.00 0.00 N ATOM 854 CA SER A 54 3.460 15.510 -14.253 1.00 0.00 C ATOM 855 C SER A 54 2.963 16.354 -13.073 1.00 0.00 C ATOM 856 O SER A 54 1.996 15.969 -12.420 1.00 0.00 O ATOM 857 CB SER A 54 4.440 14.395 -13.880 1.00 0.00 C ATOM 858 OG SER A 54 5.784 14.827 -13.899 1.00 0.00 O ATOM 0 H SER A 54 5.023 16.277 -15.432 1.00 0.00 H new ATOM 0 HA SER A 54 2.575 14.996 -14.628 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.197 14.019 -12.886 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.319 13.563 -14.574 1.00 0.00 H new ATOM 0 HG SER A 54 6.076 15.028 -12.985 1.00 0.00 H new ATOM 864 N GLY A 55 3.533 17.542 -12.851 1.00 0.00 N ATOM 865 CA GLY A 55 2.991 18.540 -11.937 1.00 0.00 C ATOM 866 C GLY A 55 1.567 18.937 -12.342 1.00 0.00 C ATOM 867 O GLY A 55 0.665 18.932 -11.504 1.00 0.00 O ATOM 0 H GLY A 55 4.395 17.837 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.988 18.145 -10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.632 19.422 -11.934 1.00 0.00 H new ATOM 871 N GLN A 56 1.335 19.203 -13.633 1.00 0.00 N ATOM 872 CA GLN A 56 0.000 19.502 -14.150 1.00 0.00 C ATOM 873 C GLN A 56 -0.935 18.317 -13.916 1.00 0.00 C ATOM 874 O GLN A 56 -2.028 18.499 -13.382 1.00 0.00 O ATOM 875 CB GLN A 56 0.026 19.822 -15.651 1.00 0.00 C ATOM 876 CG GLN A 56 0.936 20.999 -16.019 1.00 0.00 C ATOM 877 CD GLN A 56 0.858 21.326 -17.511 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.703 20.909 -18.298 1.00 0.00 O ATOM 879 NE2 GLN A 56 -0.152 22.068 -17.938 1.00 0.00 N ATOM 0 H GLN A 56 2.066 19.216 -14.344 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.361 20.380 -13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.355 18.937 -16.196 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.989 20.042 -15.983 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.650 21.876 -15.438 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.966 20.761 -15.751 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.849 22.410 -17.276 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.233 22.298 -18.928 1.00 0.00 H new ATOM 888 N ALA A 57 -0.503 17.100 -14.272 1.00 0.00 N ATOM 889 CA ALA A 57 -1.320 15.906 -14.083 1.00 0.00 C ATOM 890 C ALA A 57 -1.684 15.729 -12.613 1.00 0.00 C ATOM 891 O ALA A 57 -2.812 15.357 -12.300 1.00 0.00 O ATOM 892 CB ALA A 57 -0.590 14.659 -14.588 1.00 0.00 C ATOM 0 H ALA A 57 0.409 16.922 -14.692 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.235 16.035 -14.661 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.220 13.782 -14.436 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.373 14.770 -15.650 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.343 14.536 -14.038 1.00 0.00 H new ATOM 898 N LYS A 58 -0.754 16.033 -11.709 1.00 0.00 N ATOM 899 CA LYS A 58 -0.992 15.902 -10.274 1.00 0.00 C ATOM 900 C LYS A 58 -2.134 16.827 -9.856 1.00 0.00 C ATOM 901 O LYS A 58 -2.977 16.423 -9.054 1.00 0.00 O ATOM 902 CB LYS A 58 0.323 16.120 -9.495 1.00 0.00 C ATOM 903 CG LYS A 58 0.145 16.051 -7.969 1.00 0.00 C ATOM 904 CD LYS A 58 -0.096 17.428 -7.334 1.00 0.00 C ATOM 905 CE LYS A 58 -0.824 17.264 -5.997 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.246 18.572 -5.444 1.00 0.00 N ATOM 0 H LYS A 58 0.177 16.374 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.315 14.891 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.049 15.368 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.738 17.092 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.695 15.396 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.033 15.602 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.855 17.939 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.687 18.050 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.698 16.627 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.170 16.761 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.944 18.420 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.418 19.069 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.673 19.147 -6.199 1.00 0.00 H new ATOM 920 N GLU A 59 -2.205 18.039 -10.403 1.00 0.00 N ATOM 921 CA GLU A 59 -3.296 18.956 -10.106 1.00 0.00 C ATOM 922 C GLU A 59 -4.611 18.473 -10.730 1.00 0.00 C ATOM 923 O GLU A 59 -5.650 18.607 -10.084 1.00 0.00 O ATOM 924 CB GLU A 59 -2.943 20.384 -10.553 1.00 0.00 C ATOM 925 CG GLU A 59 -1.826 21.014 -9.703 1.00 0.00 C ATOM 926 CD GLU A 59 -2.260 21.260 -8.246 1.00 0.00 C ATOM 927 OE1 GLU A 59 -2.075 20.362 -7.393 1.00 0.00 O ATOM 928 OE2 GLU A 59 -2.774 22.362 -7.942 1.00 0.00 O ATOM 0 H GLU A 59 -1.514 18.407 -11.057 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.442 18.975 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.633 20.367 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.834 21.009 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.954 20.360 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.521 21.959 -10.152 1.00 0.00 H new ATOM 935 N ILE A 60 -4.595 17.852 -11.919 1.00 0.00 N ATOM 936 CA ILE A 60 -5.795 17.229 -12.494 1.00 0.00 C ATOM 937 C ILE A 60 -6.307 16.156 -11.525 1.00 0.00 C ATOM 938 O ILE A 60 -7.495 16.126 -11.207 1.00 0.00 O ATOM 939 CB ILE A 60 -5.525 16.640 -13.905 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.115 17.739 -14.911 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.753 15.880 -14.445 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.729 17.196 -16.295 1.00 0.00 C ATOM 0 H ILE A 60 -3.762 17.768 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.561 17.993 -12.627 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.698 15.939 -13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.940 18.442 -15.024 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.273 18.298 -14.502 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.528 15.481 -15.434 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.999 15.060 -13.771 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.602 16.561 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.453 18.025 -16.947 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.883 16.515 -16.196 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.576 16.662 -16.726 1.00 0.00 H new ATOM 954 N LEU A 61 -5.426 15.283 -11.029 1.00 0.00 N ATOM 955 CA LEU A 61 -5.836 14.202 -10.138 1.00 0.00 C ATOM 956 C LEU A 61 -6.335 14.757 -8.801 1.00 0.00 C ATOM 957 O LEU A 61 -7.273 14.212 -8.217 1.00 0.00 O ATOM 958 CB LEU A 61 -4.687 13.204 -9.922 1.00 0.00 C ATOM 959 CG LEU A 61 -4.159 12.464 -11.172 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.416 11.191 -10.754 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.255 12.110 -12.181 1.00 0.00 C ATOM 0 H LEU A 61 -4.426 15.306 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.661 13.669 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.853 13.740 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.018 12.457 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.481 13.155 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.048 10.677 -11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.575 11.455 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.096 10.535 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.813 11.593 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.992 11.462 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.742 13.023 -12.524 1.00 0.00 H new ATOM 973 N SER A 62 -5.752 15.862 -8.335 1.00 0.00 N ATOM 974 CA SER A 62 -6.210 16.551 -7.136 1.00 0.00 C ATOM 975 C SER A 62 -7.613 17.133 -7.349 1.00 0.00 C ATOM 976 O SER A 62 -8.453 17.036 -6.455 1.00 0.00 O ATOM 977 CB SER A 62 -5.210 17.644 -6.748 1.00 0.00 C ATOM 978 OG SER A 62 -3.908 17.102 -6.606 1.00 0.00 O ATOM 0 H SER A 62 -4.948 16.302 -8.782 1.00 0.00 H new ATOM 0 HA SER A 62 -6.271 15.834 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.204 18.425 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.519 18.112 -5.813 1.00 0.00 H new ATOM 0 HG SER A 62 -3.611 16.734 -7.465 1.00 0.00 H new ATOM 984 N GLU A 63 -7.910 17.679 -8.534 1.00 0.00 N ATOM 985 CA GLU A 63 -9.240 18.176 -8.883 1.00 0.00 C ATOM 986 C GLU A 63 -10.243 17.011 -8.950 1.00 0.00 C ATOM 987 O GLU A 63 -11.383 17.148 -8.505 1.00 0.00 O ATOM 988 CB GLU A 63 -9.160 18.947 -10.214 1.00 0.00 C ATOM 989 CG GLU A 63 -10.437 19.723 -10.568 1.00 0.00 C ATOM 990 CD GLU A 63 -10.696 20.905 -9.613 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.157 22.011 -9.847 1.00 0.00 O ATOM 992 OE2 GLU A 63 -11.458 20.751 -8.633 1.00 0.00 O ATOM 0 H GLU A 63 -7.226 17.788 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.596 18.862 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.325 19.646 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.942 18.243 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.360 20.096 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.290 19.044 -10.540 1.00 0.00 H new ATOM 999 N MET A 64 -9.805 15.839 -9.429 1.00 0.00 N ATOM 1000 CA MET A 64 -10.573 14.592 -9.383 1.00 0.00 C ATOM 1001 C MET A 64 -10.730 14.046 -7.951 1.00 0.00 C ATOM 1002 O MET A 64 -11.434 13.054 -7.752 1.00 0.00 O ATOM 1003 CB MET A 64 -9.938 13.541 -10.313 1.00 0.00 C ATOM 1004 CG MET A 64 -10.078 13.894 -11.800 1.00 0.00 C ATOM 1005 SD MET A 64 -11.780 14.003 -12.428 1.00 0.00 S ATOM 1006 CE MET A 64 -12.315 12.276 -12.264 1.00 0.00 C ATOM 0 H MET A 64 -8.890 15.731 -9.867 1.00 0.00 H new ATOM 0 HA MET A 64 -11.579 14.816 -9.738 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.881 13.438 -10.068 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.404 12.573 -10.130 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.584 14.849 -11.976 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.542 13.146 -12.384 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.280 12.146 -12.754 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.579 11.621 -12.731 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.408 12.023 -11.208 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.116 14.677 -6.945 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.336 14.382 -5.536 1.00 0.00 C ATOM 1018 C GLY A 65 -9.454 13.252 -5.009 1.00 0.00 C ATOM 1019 O GLY A 65 -9.748 12.717 -3.939 1.00 0.00 O ATOM 0 H GLY A 65 -9.438 15.423 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.149 15.282 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.382 14.116 -5.387 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.403 12.860 -5.735 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.432 11.896 -5.232 1.00 0.00 C ATOM 1025 C TYR A 66 -6.634 12.582 -4.119 1.00 0.00 C ATOM 1026 O TYR A 66 -6.135 13.694 -4.314 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.538 11.376 -6.368 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.216 10.385 -7.300 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.266 10.795 -8.147 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.827 9.032 -7.284 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.976 9.851 -8.908 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.523 8.084 -8.054 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.625 8.484 -8.843 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.353 7.566 -9.535 1.00 0.00 O ATOM 0 H TYR A 66 -8.206 13.200 -6.676 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.930 11.017 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.186 12.225 -6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.658 10.903 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.526 11.841 -8.211 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.990 8.721 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.790 10.170 -9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.215 7.049 -8.043 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.068 6.663 -9.280 1.00 0.00 H new ATOM 1044 N THR A 67 -6.521 11.947 -2.950 1.00 0.00 N ATOM 1045 CA THR A 67 -6.015 12.605 -1.743 1.00 0.00 C ATOM 1046 C THR A 67 -4.498 12.461 -1.552 1.00 0.00 C ATOM 1047 O THR A 67 -3.903 13.240 -0.804 1.00 0.00 O ATOM 1048 CB THR A 67 -6.783 12.058 -0.525 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.742 10.643 -0.506 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.262 12.455 -0.551 1.00 0.00 C ATOM 0 H THR A 67 -6.776 10.969 -2.814 1.00 0.00 H new ATOM 0 HA THR A 67 -6.186 13.676 -1.852 1.00 0.00 H new ATOM 0 HB THR A 67 -6.298 12.484 0.354 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.888 10.346 -0.128 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.764 12.047 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.347 13.542 -0.546 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.729 12.059 -1.453 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.863 11.490 -2.219 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.476 11.087 -1.970 1.00 0.00 C ATOM 1060 C HIS A 68 -1.702 10.993 -3.290 1.00 0.00 C ATOM 1061 O HIS A 68 -0.931 10.059 -3.519 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.462 9.779 -1.158 1.00 0.00 C ATOM 1063 CG HIS A 68 -3.070 9.893 0.219 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -4.040 9.075 0.753 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.717 10.787 1.196 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -4.262 9.463 2.019 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.481 10.512 2.339 1.00 0.00 N ATOM 0 H HIS A 68 -4.309 10.952 -2.962 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.963 11.841 -1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.000 9.013 -1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.431 9.438 -1.060 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.508 8.308 0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.978 11.569 1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.970 8.998 2.689 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.945 11.947 -4.189 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.160 12.101 -5.405 1.00 0.00 C ATOM 1077 C VAL A 69 0.137 12.825 -5.054 1.00 0.00 C ATOM 1078 O VAL A 69 0.159 13.690 -4.173 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.940 12.884 -6.481 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.314 12.657 -7.867 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.417 12.482 -6.558 1.00 0.00 C ATOM 0 H VAL A 69 -2.693 12.633 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.941 11.117 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.882 13.933 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.875 13.216 -8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.279 12.999 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.343 11.595 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.913 13.067 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.493 11.422 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.896 12.671 -5.597 1.00 0.00 H new ATOM 1091 N GLU A 70 1.199 12.525 -5.794 1.00 0.00 N ATOM 1092 CA GLU A 70 2.445 13.257 -5.751 1.00 0.00 C ATOM 1093 C GLU A 70 3.026 13.300 -7.167 1.00 0.00 C ATOM 1094 O GLU A 70 2.927 12.328 -7.924 1.00 0.00 O ATOM 1095 CB GLU A 70 3.369 12.564 -4.738 1.00 0.00 C ATOM 1096 CG GLU A 70 4.753 13.203 -4.618 1.00 0.00 C ATOM 1097 CD GLU A 70 4.703 14.675 -4.163 1.00 0.00 C ATOM 1098 OE1 GLU A 70 4.355 15.555 -4.982 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.021 14.960 -2.986 1.00 0.00 O ATOM 0 H GLU A 70 1.210 11.747 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 70 2.313 14.288 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.890 12.574 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.486 11.519 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.351 12.630 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.258 13.144 -5.582 1.00 0.00 H new ATOM 1106 N ASN A 71 3.625 14.436 -7.527 1.00 0.00 N ATOM 1107 CA ASN A 71 4.426 14.550 -8.736 1.00 0.00 C ATOM 1108 C ASN A 71 5.827 14.105 -8.355 1.00 0.00 C ATOM 1109 O ASN A 71 6.534 14.808 -7.629 1.00 0.00 O ATOM 1110 CB ASN A 71 4.460 15.980 -9.284 1.00 0.00 C ATOM 1111 CG ASN A 71 5.458 16.092 -10.438 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.740 15.129 -11.145 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.020 17.260 -10.668 1.00 0.00 N ATOM 0 H ASN A 71 3.566 15.299 -6.986 1.00 0.00 H new ATOM 0 HA ASN A 71 3.995 13.936 -9.527 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.466 16.267 -9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.736 16.673 -8.489 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.688 17.363 -11.432 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.788 18.062 -10.082 1.00 0.00 H new ATOM 1120 N ALA A 72 6.207 12.917 -8.808 1.00 0.00 N ATOM 1121 CA ALA A 72 7.486 12.322 -8.485 1.00 0.00 C ATOM 1122 C ALA A 72 8.652 13.099 -9.110 1.00 0.00 C ATOM 1123 O ALA A 72 9.755 13.054 -8.564 1.00 0.00 O ATOM 1124 CB ALA A 72 7.470 10.876 -8.963 1.00 0.00 C ATOM 0 H ALA A 72 5.626 12.339 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 72 7.639 12.358 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.425 10.405 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.667 10.336 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.306 10.851 -10.040 1.00 0.00 H new ATOM 1130 N GLY A 73 8.424 13.817 -10.218 1.00 0.00 N ATOM 1131 CA GLY A 73 9.414 14.686 -10.844 1.00 0.00 C ATOM 1132 C GLY A 73 9.698 14.290 -12.290 1.00 0.00 C ATOM 1133 O GLY A 73 8.947 13.530 -12.910 1.00 0.00 O ATOM 0 H GLY A 73 7.530 13.806 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.061 15.717 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.340 14.650 -10.271 1.00 0.00 H new ATOM 1137 N GLY A 74 10.791 14.835 -12.830 1.00 0.00 N ATOM 1138 CA GLY A 74 11.279 14.489 -14.156 1.00 0.00 C ATOM 1139 C GLY A 74 11.784 13.046 -14.189 1.00 0.00 C ATOM 1140 O GLY A 74 12.261 12.529 -13.179 1.00 0.00 O ATOM 0 H GLY A 74 11.362 15.532 -12.352 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.481 14.616 -14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.083 15.167 -14.441 1.00 0.00 H new ATOM 1144 N LEU A 75 11.709 12.414 -15.362 1.00 0.00 N ATOM 1145 CA LEU A 75 11.932 10.982 -15.592 1.00 0.00 C ATOM 1146 C LEU A 75 13.212 10.458 -14.931 1.00 0.00 C ATOM 1147 O LEU A 75 13.197 9.410 -14.286 1.00 0.00 O ATOM 1148 CB LEU A 75 11.945 10.732 -17.119 1.00 0.00 C ATOM 1149 CG LEU A 75 11.298 9.420 -17.600 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.367 9.346 -19.129 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.929 8.156 -17.007 1.00 0.00 C ATOM 0 H LEU A 75 11.479 12.911 -16.222 1.00 0.00 H new ATOM 0 HA LEU A 75 11.120 10.427 -15.123 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.436 11.564 -17.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.980 10.748 -17.460 1.00 0.00 H new ATOM 0 HG LEU A 75 10.266 9.445 -17.249 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.909 8.417 -19.469 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.832 10.193 -19.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.409 9.375 -19.448 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.416 7.276 -17.396 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.983 8.112 -17.281 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.837 8.179 -15.921 1.00 0.00 H new ATOM 1163 N LYS A 76 14.318 11.199 -15.065 1.00 0.00 N ATOM 1164 CA LYS A 76 15.617 10.813 -14.530 1.00 0.00 C ATOM 1165 C LYS A 76 15.605 10.744 -13.000 1.00 0.00 C ATOM 1166 O LYS A 76 16.324 9.925 -12.428 1.00 0.00 O ATOM 1167 CB LYS A 76 16.649 11.831 -15.050 1.00 0.00 C ATOM 1168 CG LYS A 76 18.101 11.586 -14.618 1.00 0.00 C ATOM 1169 CD LYS A 76 18.671 10.243 -15.099 1.00 0.00 C ATOM 1170 CE LYS A 76 20.153 10.140 -14.711 1.00 0.00 C ATOM 1171 NZ LYS A 76 20.768 8.869 -15.168 1.00 0.00 N ATOM 0 H LYS A 76 14.330 12.094 -15.555 1.00 0.00 H new ATOM 0 HA LYS A 76 15.878 9.809 -14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.609 11.837 -16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.352 12.825 -14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.726 12.393 -15.000 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.159 11.626 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.111 9.420 -14.655 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.561 10.157 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.698 10.980 -15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.249 10.219 -13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.768 8.845 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.266 8.066 -14.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.701 8.804 -16.204 1.00 0.00 H new ATOM 1185 N ASP A 77 14.824 11.598 -12.332 1.00 0.00 N ATOM 1186 CA ASP A 77 14.855 11.722 -10.876 1.00 0.00 C ATOM 1187 C ASP A 77 14.215 10.514 -10.192 1.00 0.00 C ATOM 1188 O ASP A 77 14.639 10.148 -9.095 1.00 0.00 O ATOM 1189 CB ASP A 77 14.162 13.010 -10.420 1.00 0.00 C ATOM 1190 CG ASP A 77 14.349 13.217 -8.906 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.478 13.548 -8.476 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.368 13.093 -8.141 1.00 0.00 O ATOM 0 H ASP A 77 14.155 12.220 -12.786 1.00 0.00 H new ATOM 0 HA ASP A 77 15.904 11.762 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.572 13.862 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.099 12.962 -10.658 1.00 0.00 H new ATOM 1197 N ILE A 78 13.230 9.866 -10.831 1.00 0.00 N ATOM 1198 CA ILE A 78 12.660 8.615 -10.350 1.00 0.00 C ATOM 1199 C ILE A 78 13.719 7.530 -10.579 1.00 0.00 C ATOM 1200 O ILE A 78 13.779 6.923 -11.648 1.00 0.00 O ATOM 1201 CB ILE A 78 11.296 8.312 -11.026 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.207 9.363 -10.717 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.745 6.966 -10.516 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.374 10.734 -11.377 1.00 0.00 C ATOM 0 H ILE A 78 12.810 10.202 -11.698 1.00 0.00 H new ATOM 0 HA ILE A 78 12.424 8.666 -9.287 1.00 0.00 H new ATOM 0 HB ILE A 78 11.500 8.309 -12.097 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.243 8.954 -11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.168 9.507 -9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.788 6.760 -10.995 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.450 6.170 -10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.607 7.015 -9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.548 11.382 -11.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.316 11.179 -11.058 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.377 10.618 -12.461 1.00 0.00 H new ATOM 1216 N ALA A 79 14.578 7.282 -9.588 1.00 0.00 N ATOM 1217 CA ALA A 79 15.701 6.347 -9.669 1.00 0.00 C ATOM 1218 C ALA A 79 15.278 4.868 -9.570 1.00 0.00 C ATOM 1219 O ALA A 79 16.049 4.017 -9.121 1.00 0.00 O ATOM 1220 CB ALA A 79 16.740 6.731 -8.605 1.00 0.00 C ATOM 0 H ALA A 79 14.509 7.741 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 79 16.147 6.433 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.583 6.042 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.090 7.747 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.285 6.677 -7.616 1.00 0.00 H new ATOM 1226 N MET A 80 14.042 4.563 -9.962 1.00 0.00 N ATOM 1227 CA MET A 80 13.537 3.197 -10.079 1.00 0.00 C ATOM 1228 C MET A 80 14.070 2.558 -11.370 1.00 0.00 C ATOM 1229 O MET A 80 14.424 3.295 -12.302 1.00 0.00 O ATOM 1230 CB MET A 80 12.002 3.205 -10.126 1.00 0.00 C ATOM 1231 CG MET A 80 11.379 3.602 -8.784 1.00 0.00 C ATOM 1232 SD MET A 80 9.569 3.737 -8.791 1.00 0.00 S ATOM 1233 CE MET A 80 9.068 2.034 -9.170 1.00 0.00 C ATOM 0 H MET A 80 13.352 5.271 -10.211 1.00 0.00 H new ATOM 0 HA MET A 80 13.872 2.624 -9.214 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.668 3.899 -10.898 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.645 2.215 -10.411 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.671 2.868 -8.033 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.799 4.559 -8.474 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.987 1.941 -9.065 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.356 1.789 -10.192 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.560 1.348 -8.480 1.00 0.00 H new ATOM 1243 N PRO A 81 14.090 1.213 -11.457 1.00 0.00 N ATOM 1244 CA PRO A 81 14.328 0.488 -12.701 1.00 0.00 C ATOM 1245 C PRO A 81 13.391 0.957 -13.818 1.00 0.00 C ATOM 1246 O PRO A 81 12.272 1.419 -13.557 1.00 0.00 O ATOM 1247 CB PRO A 81 14.088 -0.992 -12.378 1.00 0.00 C ATOM 1248 CG PRO A 81 14.369 -1.079 -10.881 1.00 0.00 C ATOM 1249 CD PRO A 81 13.872 0.269 -10.367 1.00 0.00 C ATOM 0 HA PRO A 81 15.341 0.664 -13.064 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.067 -1.294 -12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.752 -1.641 -12.950 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.838 -1.910 -10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.430 -1.224 -10.676 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.817 0.220 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.416 0.572 -9.472 1.00 0.00 H new ATOM 1257 N LYS A 82 13.824 0.798 -15.071 1.00 0.00 N ATOM 1258 CA LYS A 82 13.073 1.221 -16.249 1.00 0.00 C ATOM 1259 C LYS A 82 13.199 0.151 -17.323 1.00 0.00 C ATOM 1260 O LYS A 82 14.189 -0.586 -17.345 1.00 0.00 O ATOM 1261 CB LYS A 82 13.588 2.577 -16.774 1.00 0.00 C ATOM 1262 CG LYS A 82 13.481 3.690 -15.724 1.00 0.00 C ATOM 1263 CD LYS A 82 14.028 5.038 -16.207 1.00 0.00 C ATOM 1264 CE LYS A 82 13.950 6.076 -15.075 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.805 5.729 -13.911 1.00 0.00 N ATOM 0 H LYS A 82 14.720 0.365 -15.296 1.00 0.00 H new ATOM 0 HA LYS A 82 12.025 1.349 -15.980 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.628 2.472 -17.084 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.019 2.861 -17.659 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.436 3.811 -15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.022 3.387 -14.828 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.061 4.923 -16.535 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.456 5.384 -17.068 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.249 7.050 -15.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.915 6.168 -14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.673 6.436 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.539 4.790 -13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.803 5.717 -14.204 1.00 0.00 H new ATOM 1279 N VAL A 83 12.215 0.071 -18.214 1.00 0.00 N ATOM 1280 CA VAL A 83 12.165 -0.925 -19.279 1.00 0.00 C ATOM 1281 C VAL A 83 11.377 -0.336 -20.457 1.00 0.00 C ATOM 1282 O VAL A 83 10.599 0.602 -20.275 1.00 0.00 O ATOM 1283 CB VAL A 83 11.581 -2.236 -18.693 1.00 0.00 C ATOM 1284 CG1 VAL A 83 10.120 -2.110 -18.233 1.00 0.00 C ATOM 1285 CG2 VAL A 83 11.733 -3.433 -19.641 1.00 0.00 C ATOM 0 H VAL A 83 11.417 0.707 -18.216 1.00 0.00 H new ATOM 0 HA VAL A 83 13.150 -1.179 -19.671 1.00 0.00 H new ATOM 0 HB VAL A 83 12.186 -2.424 -17.806 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.780 -3.066 -17.835 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.047 -1.348 -17.457 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.495 -1.827 -19.080 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.306 -4.322 -19.176 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.211 -3.226 -20.575 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.790 -3.603 -19.846 1.00 0.00 H new ATOM 1295 N LYS A 84 11.600 -0.845 -21.672 1.00 0.00 N ATOM 1296 CA LYS A 84 10.799 -0.518 -22.850 1.00 0.00 C ATOM 1297 C LYS A 84 9.394 -1.101 -22.679 1.00 0.00 C ATOM 1298 O LYS A 84 9.228 -2.148 -22.046 1.00 0.00 O ATOM 1299 CB LYS A 84 11.530 -1.083 -24.080 1.00 0.00 C ATOM 1300 CG LYS A 84 10.919 -0.711 -25.438 1.00 0.00 C ATOM 1301 CD LYS A 84 10.038 -1.825 -26.033 1.00 0.00 C ATOM 1302 CE LYS A 84 9.591 -1.536 -27.474 1.00 0.00 C ATOM 1303 NZ LYS A 84 8.794 -0.295 -27.594 1.00 0.00 N ATOM 0 H LYS A 84 12.353 -1.505 -21.865 1.00 0.00 H new ATOM 0 HA LYS A 84 10.682 0.558 -22.981 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.563 -0.736 -24.058 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.557 -2.170 -23.998 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.322 0.194 -25.325 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.721 -0.478 -26.138 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.588 -2.766 -26.012 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.157 -1.957 -25.405 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.471 -1.460 -28.113 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.002 -2.376 -27.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.450 -0.197 -28.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.983 -0.339 -26.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.388 0.524 -27.352 1.00 0.00 H new ATOM 1317 N GLY A 85 8.400 -0.475 -23.304 1.00 0.00 N ATOM 1318 CA GLY A 85 7.025 -0.951 -23.342 1.00 0.00 C ATOM 1319 C GLY A 85 6.356 -0.512 -24.636 1.00 0.00 C ATOM 1320 O GLY A 85 5.141 -0.758 -24.782 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.058 0.036 -25.512 1.00 0.00 O ATOM 0 H GLY A 85 8.535 0.400 -23.810 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.006 -2.038 -23.264 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.473 -0.560 -22.487 1.00 0.00 H new TER 1325 GLY A 85