USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 103 ASN : amide:sc= 0.687 K(o=1.1,f=-0.57) USER MOD Set 1.2: A 105 THR OG1 : rot 25:sc= 0.416 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -142:sc= 2.45 (180deg=0.0132) USER MOD Set 2.2: A 87 TYR OH : rot 100:sc= 0.926 USER MOD Single : A 1 ASP N :NH3+ 145:sc= 1.48 (180deg=0.559) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0484 (180deg=-0.326) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.641) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= -0.0182 (180deg=-0.139) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.17) USER MOD Single : A 55 GLN : amide:sc= -0.708 K(o=-0.71,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.39) USER MOD Single : A 58 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.67) USER MOD Single : A 60 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 62 SER OG : rot 72:sc= 0.924 USER MOD Single : A 63 TYR OH : rot 180:sc=-1.41e-05 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= 0.302 (180deg=0.0601) USER MOD Single : A 70 TYR OH : rot 110:sc= -0.562 USER MOD Single : A 75 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.5!) USER MOD Single : A 77 THR OG1 : rot 98:sc= 0.383 USER MOD Single : A 80 GLN : amide:sc= -3.44! K(o=-3.4!,f=-2.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 89 CYS SG : rot 112:sc= 2.16 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -33:sc= -4.55 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -2.81! (180deg=-3.09!) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0.321 (180deg=0.232) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -153:sc= -1.95 USER MOD Single : A 101 ASN : amide:sc= -4.12! K(o=-4.1!,f=-0.35) USER MOD Single : A 107 HIS : no HE2:sc= -2.03! C(o=-2!,f=-11!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.281 -11.445 0.521 1.00 0.92 N ATOM 2 CA ASP A 1 -17.863 -10.224 -0.223 1.00 0.81 C ATOM 3 C ASP A 1 -18.814 -9.784 -1.337 1.00 0.80 C ATOM 4 O ASP A 1 -18.917 -10.397 -2.391 1.00 0.99 O ATOM 5 CB ASP A 1 -16.410 -10.264 -0.724 1.00 0.90 C ATOM 6 CG ASP A 1 -15.907 -11.634 -1.104 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.922 -12.528 -0.239 1.00 1.68 O ATOM 8 OD2 ASP A 1 -15.485 -11.817 -2.261 1.00 1.93 O ATOM 0 H1 ASP A 1 -17.439 -11.996 0.785 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.798 -11.168 1.380 1.00 0.92 H new ATOM 0 H3 ASP A 1 -18.898 -12.025 -0.082 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.922 -9.452 0.544 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -16.321 -9.607 -1.589 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -15.762 -9.857 0.052 1.00 0.90 H new ATOM 13 N ASP A 2 -19.459 -8.654 -1.103 1.00 0.70 N ATOM 14 CA ASP A 2 -20.387 -8.068 -2.042 1.00 0.72 C ATOM 15 C ASP A 2 -19.651 -7.479 -3.244 1.00 0.70 C ATOM 16 O ASP A 2 -18.421 -7.375 -3.224 1.00 0.75 O ATOM 17 CB ASP A 2 -21.127 -6.965 -1.319 1.00 0.79 C ATOM 18 CG ASP A 2 -22.273 -7.458 -0.472 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.242 -8.010 -1.032 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.215 -7.256 0.757 1.00 1.65 O ATOM 0 H ASP A 2 -19.348 -8.115 -0.244 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.071 -8.832 -2.410 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.425 -6.424 -0.685 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.508 -6.254 -2.052 1.00 0.79 H new ATOM 25 N PRO A 3 -20.386 -7.069 -4.299 1.00 0.71 N ATOM 26 CA PRO A 3 -19.799 -6.418 -5.474 1.00 0.72 C ATOM 27 C PRO A 3 -19.320 -5.000 -5.174 1.00 0.66 C ATOM 28 O PRO A 3 -19.909 -4.013 -5.612 1.00 0.97 O ATOM 29 CB PRO A 3 -20.938 -6.401 -6.508 1.00 0.84 C ATOM 30 CG PRO A 3 -22.006 -7.278 -5.944 1.00 0.94 C ATOM 31 CD PRO A 3 -21.838 -7.233 -4.455 1.00 0.81 C ATOM 0 HA PRO A 3 -18.913 -6.949 -5.823 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.307 -5.388 -6.668 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.596 -6.772 -7.474 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.995 -6.924 -6.235 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -21.910 -8.298 -6.316 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.389 -6.405 -4.010 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.196 -8.146 -3.979 1.00 0.81 H new ATOM 39 N ILE A 4 -18.259 -4.923 -4.394 1.00 0.45 N ATOM 40 CA ILE A 4 -17.602 -3.667 -4.088 1.00 0.41 C ATOM 41 C ILE A 4 -16.483 -3.435 -5.075 1.00 0.41 C ATOM 42 O ILE A 4 -16.412 -2.397 -5.734 1.00 0.50 O ATOM 43 CB ILE A 4 -17.024 -3.691 -2.651 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.089 -3.293 -1.626 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.813 -2.781 -2.516 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.227 -4.268 -1.517 1.00 0.46 C ATOM 0 H ILE A 4 -17.826 -5.734 -3.952 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.333 -2.862 -4.158 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.705 -4.714 -2.453 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.617 -3.190 -0.649 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.487 -2.314 -1.893 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.437 -2.825 -1.494 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.034 -3.108 -3.204 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.100 -1.756 -2.753 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.939 -3.915 -0.771 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.726 -4.354 -2.482 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.843 -5.244 -1.219 1.00 0.46 H new ATOM 58 N GLY A 5 -15.603 -4.418 -5.161 1.00 0.36 N ATOM 59 CA GLY A 5 -14.449 -4.276 -6.003 1.00 0.39 C ATOM 60 C GLY A 5 -13.405 -3.554 -5.226 1.00 0.33 C ATOM 61 O GLY A 5 -12.777 -2.614 -5.698 1.00 0.33 O ATOM 0 H GLY A 5 -15.671 -5.306 -4.663 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.083 -5.253 -6.318 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.702 -3.724 -6.908 1.00 0.39 H new ATOM 65 N LEU A 6 -13.272 -4.016 -3.996 1.00 0.32 N ATOM 66 CA LEU A 6 -12.492 -3.364 -2.974 1.00 0.29 C ATOM 67 C LEU A 6 -11.081 -3.102 -3.466 1.00 0.29 C ATOM 68 O LEU A 6 -10.486 -2.068 -3.175 1.00 0.33 O ATOM 69 CB LEU A 6 -12.511 -4.258 -1.745 1.00 0.29 C ATOM 70 CG LEU A 6 -12.317 -3.559 -0.414 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.251 -2.370 -0.263 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.544 -4.546 0.700 1.00 0.28 C ATOM 0 H LEU A 6 -13.717 -4.877 -3.678 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.914 -2.391 -2.722 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.463 -4.788 -1.720 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.730 -5.011 -1.855 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.297 -3.177 -0.370 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.082 -1.895 0.703 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.057 -1.651 -1.059 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.285 -2.709 -0.325 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.406 -4.049 1.660 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.559 -4.938 0.637 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.832 -5.366 0.610 1.00 0.28 H new ATOM 84 N PHE A 7 -10.572 -4.035 -4.240 1.00 0.30 N ATOM 85 CA PHE A 7 -9.316 -3.847 -4.912 1.00 0.32 C ATOM 86 C PHE A 7 -9.562 -3.333 -6.319 1.00 0.29 C ATOM 87 O PHE A 7 -9.672 -4.099 -7.277 1.00 0.32 O ATOM 88 CB PHE A 7 -8.532 -5.149 -4.931 1.00 0.41 C ATOM 89 CG PHE A 7 -7.247 -5.069 -4.166 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.195 -4.443 -2.931 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.089 -5.615 -4.685 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.009 -4.364 -2.230 1.00 0.67 C ATOM 93 CE2 PHE A 7 -4.904 -5.542 -3.992 1.00 0.72 C ATOM 94 CZ PHE A 7 -4.863 -4.913 -2.761 1.00 0.61 C ATOM 0 H PHE A 7 -11.016 -4.936 -4.417 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.723 -3.107 -4.374 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.149 -5.944 -4.512 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.317 -5.422 -5.964 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.093 -4.012 -2.512 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.115 -6.105 -5.647 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.980 -3.873 -1.268 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.006 -5.975 -4.408 1.00 0.72 H new ATOM 0 HZ PHE A 7 -3.932 -4.852 -2.216 1.00 0.61 H new ATOM 104 N VAL A 8 -9.701 -2.025 -6.409 1.00 0.28 N ATOM 105 CA VAL A 8 -9.927 -1.349 -7.674 1.00 0.34 C ATOM 106 C VAL A 8 -8.665 -1.414 -8.524 1.00 0.44 C ATOM 107 O VAL A 8 -8.703 -1.785 -9.700 1.00 0.63 O ATOM 108 CB VAL A 8 -10.334 0.121 -7.444 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.731 0.782 -8.756 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.464 0.203 -6.425 1.00 0.33 C ATOM 0 H VAL A 8 -9.660 -1.398 -5.605 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.741 -1.852 -8.196 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.475 0.661 -7.046 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.014 1.818 -8.570 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.888 0.754 -9.447 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.575 0.248 -9.192 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.741 1.246 -6.272 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.327 -0.352 -6.793 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.133 -0.227 -5.479 1.00 0.33 H new ATOM 120 N MET A 9 -7.548 -1.063 -7.910 1.00 0.43 N ATOM 121 CA MET A 9 -6.243 -1.217 -8.532 1.00 0.65 C ATOM 122 C MET A 9 -5.236 -1.609 -7.470 1.00 0.44 C ATOM 123 O MET A 9 -5.197 -1.014 -6.389 1.00 0.44 O ATOM 124 CB MET A 9 -5.787 0.054 -9.231 1.00 1.05 C ATOM 125 CG MET A 9 -4.507 -0.127 -10.028 1.00 1.45 C ATOM 126 SD MET A 9 -4.680 -1.328 -11.361 1.00 2.35 S ATOM 127 CE MET A 9 -3.019 -1.325 -12.039 1.00 2.88 C ATOM 0 H MET A 9 -7.519 -0.665 -6.971 1.00 0.43 H new ATOM 0 HA MET A 9 -6.319 -1.994 -9.293 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.577 0.397 -9.899 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.636 0.836 -8.487 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.206 0.833 -10.447 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.709 -0.447 -9.358 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.966 -2.022 -12.875 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.769 -0.322 -12.386 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.311 -1.629 -11.268 1.00 2.88 H new ATOM 137 N ARG A 10 -4.431 -2.600 -7.775 1.00 0.47 N ATOM 138 CA ARG A 10 -3.509 -3.146 -6.808 1.00 0.41 C ATOM 139 C ARG A 10 -2.085 -2.676 -7.071 1.00 0.39 C ATOM 140 O ARG A 10 -1.613 -2.692 -8.211 1.00 0.45 O ATOM 141 CB ARG A 10 -3.584 -4.674 -6.815 1.00 0.46 C ATOM 142 CG ARG A 10 -3.191 -5.322 -8.130 1.00 0.97 C ATOM 143 CD ARG A 10 -3.391 -6.829 -8.080 1.00 1.34 C ATOM 144 NE ARG A 10 -2.805 -7.502 -9.242 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.275 -8.728 -9.212 1.00 2.72 C ATOM 146 NH1 ARG A 10 -2.346 -9.462 -8.104 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.700 -9.233 -10.301 1.00 3.67 N ATOM 0 H ARG A 10 -4.397 -3.047 -8.691 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.797 -2.783 -5.821 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.936 -5.060 -6.028 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.602 -4.975 -6.567 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.787 -4.900 -8.939 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.148 -5.098 -8.352 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.942 -7.224 -7.169 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.457 -7.051 -8.032 1.00 1.34 H new ATOM 0 HE ARG A 10 -2.801 -7.002 -10.131 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -2.806 -9.089 -7.274 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -1.940 -10.398 -8.085 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.664 -8.684 -11.160 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -1.296 -10.169 -10.277 1.00 3.67 H new ATOM 161 N PRO A 11 -1.396 -2.225 -6.016 1.00 0.43 N ATOM 162 CA PRO A 11 0.006 -1.830 -6.101 1.00 0.50 C ATOM 163 C PRO A 11 0.897 -3.018 -6.452 1.00 0.47 C ATOM 164 O PRO A 11 0.570 -4.169 -6.154 1.00 0.54 O ATOM 165 CB PRO A 11 0.330 -1.293 -4.704 1.00 0.62 C ATOM 166 CG PRO A 11 -0.730 -1.820 -3.815 1.00 0.64 C ATOM 167 CD PRO A 11 -1.945 -2.051 -4.665 1.00 0.53 C ATOM 0 HA PRO A 11 0.181 -1.092 -6.884 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.316 -1.624 -4.377 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.341 -0.203 -4.697 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.409 -2.748 -3.341 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.949 -1.113 -3.015 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.499 -2.932 -4.341 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.633 -1.207 -4.618 1.00 0.53 H new ATOM 175 N GLN A 12 2.007 -2.736 -7.104 1.00 0.44 N ATOM 176 CA GLN A 12 2.898 -3.769 -7.588 1.00 0.43 C ATOM 177 C GLN A 12 4.281 -3.600 -6.988 1.00 0.37 C ATOM 178 O GLN A 12 4.507 -2.651 -6.247 1.00 0.40 O ATOM 179 CB GLN A 12 2.942 -3.677 -9.097 1.00 0.55 C ATOM 180 CG GLN A 12 1.567 -3.860 -9.714 1.00 0.73 C ATOM 181 CD GLN A 12 1.112 -5.310 -9.714 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.293 -6.018 -10.703 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.568 -5.783 -8.594 1.00 1.32 N ATOM 0 H GLN A 12 2.316 -1.786 -7.312 1.00 0.44 H new ATOM 0 HA GLN A 12 2.537 -4.753 -7.290 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.346 -2.708 -9.390 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.620 -4.436 -9.488 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.844 -3.257 -9.165 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.581 -3.488 -10.738 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.433 -5.166 -7.793 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.287 -6.762 -8.538 1.00 1.32 H new ATOM 192 N ASP A 13 5.192 -4.527 -7.291 1.00 0.34 N ATOM 193 CA ASP A 13 6.499 -4.541 -6.750 1.00 0.33 C ATOM 194 C ASP A 13 7.328 -3.373 -7.260 1.00 0.36 C ATOM 195 O ASP A 13 6.830 -2.283 -7.549 1.00 0.50 O ATOM 196 CB ASP A 13 7.151 -5.857 -7.180 1.00 0.35 C ATOM 197 CG ASP A 13 6.212 -7.050 -7.107 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.497 -7.309 -8.100 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.195 -7.739 -6.070 1.00 2.06 O ATOM 0 H ASP A 13 5.010 -5.295 -7.937 1.00 0.34 H new ATOM 0 HA ASP A 13 6.448 -4.452 -5.665 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.518 -5.755 -8.201 1.00 0.35 H new ATOM 0 HB3 ASP A 13 8.018 -6.048 -6.548 1.00 0.35 H new ATOM 204 N GLY A 14 8.590 -3.643 -7.409 1.00 0.30 N ATOM 205 CA GLY A 14 9.535 -2.635 -7.784 1.00 0.30 C ATOM 206 C GLY A 14 10.931 -2.987 -7.356 1.00 0.25 C ATOM 207 O GLY A 14 11.174 -3.441 -6.242 1.00 0.28 O ATOM 0 H GLY A 14 8.994 -4.570 -7.274 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.510 -2.499 -8.865 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.247 -1.684 -7.336 1.00 0.30 H new ATOM 211 N GLU A 15 11.837 -2.776 -8.261 1.00 0.26 N ATOM 212 CA GLU A 15 13.251 -2.977 -8.015 1.00 0.25 C ATOM 213 C GLU A 15 13.959 -1.634 -8.081 1.00 0.23 C ATOM 214 O GLU A 15 13.995 -1.004 -9.138 1.00 0.30 O ATOM 215 CB GLU A 15 13.847 -3.929 -9.048 1.00 0.33 C ATOM 216 CG GLU A 15 13.266 -5.331 -8.995 1.00 0.69 C ATOM 217 CD GLU A 15 13.903 -6.255 -10.007 1.00 1.11 C ATOM 218 OE1 GLU A 15 14.952 -6.855 -9.689 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.366 -6.379 -11.128 1.00 1.53 O ATOM 0 H GLU A 15 11.623 -2.456 -9.205 1.00 0.26 H new ATOM 0 HA GLU A 15 13.383 -3.419 -7.028 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.686 -3.516 -10.044 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.925 -3.986 -8.897 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.404 -5.741 -7.995 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.192 -5.284 -9.175 1.00 0.69 H new ATOM 226 N VAL A 16 14.514 -1.184 -6.967 1.00 0.20 N ATOM 227 CA VAL A 16 15.068 0.107 -6.880 1.00 0.21 C ATOM 228 C VAL A 16 16.382 -0.009 -6.163 1.00 0.22 C ATOM 229 O VAL A 16 16.670 -1.007 -5.521 1.00 0.27 O ATOM 230 CB VAL A 16 14.145 1.072 -6.116 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.695 0.868 -6.521 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.324 0.947 -4.603 1.00 0.23 C ATOM 0 H VAL A 16 14.580 -1.728 -6.106 1.00 0.20 H new ATOM 0 HA VAL A 16 15.198 0.511 -7.884 1.00 0.21 H new ATOM 0 HB VAL A 16 14.431 2.088 -6.389 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.062 1.561 -5.968 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.587 1.052 -7.590 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.395 -0.156 -6.296 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.655 1.644 -4.099 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.089 -0.071 -4.292 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.356 1.178 -4.338 1.00 0.23 H new ATOM 242 N THR A 17 17.154 0.994 -6.295 1.00 0.23 N ATOM 243 CA THR A 17 18.439 1.077 -5.641 1.00 0.27 C ATOM 244 C THR A 17 18.273 1.807 -4.320 1.00 0.28 C ATOM 245 O THR A 17 17.366 2.632 -4.177 1.00 0.28 O ATOM 246 CB THR A 17 19.428 1.865 -6.502 1.00 0.35 C ATOM 247 OG1 THR A 17 18.962 1.907 -7.860 1.00 0.77 O ATOM 248 CG2 THR A 17 20.816 1.249 -6.457 1.00 0.56 C ATOM 0 H THR A 17 16.927 1.808 -6.867 1.00 0.23 H new ATOM 0 HA THR A 17 18.818 0.067 -5.484 1.00 0.27 H new ATOM 0 HB THR A 17 19.493 2.877 -6.101 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.597 2.414 -8.408 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.494 1.833 -7.079 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.179 1.245 -5.429 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.772 0.226 -6.830 1.00 0.56 H new ATOM 256 N VAL A 18 19.125 1.519 -3.353 1.00 0.31 N ATOM 257 CA VAL A 18 19.126 2.284 -2.145 1.00 0.35 C ATOM 258 C VAL A 18 19.720 3.620 -2.407 1.00 0.36 C ATOM 259 O VAL A 18 20.915 3.806 -2.649 1.00 0.39 O ATOM 260 CB VAL A 18 19.798 1.605 -0.954 1.00 0.44 C ATOM 261 CG1 VAL A 18 21.021 0.822 -1.365 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.135 2.613 0.140 1.00 0.78 C ATOM 0 H VAL A 18 19.813 0.767 -3.390 1.00 0.31 H new ATOM 0 HA VAL A 18 18.083 2.384 -1.845 1.00 0.35 H new ATOM 0 HB VAL A 18 19.080 0.893 -0.547 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.467 0.356 -0.486 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.736 0.050 -2.080 1.00 0.76 H new ATOM 0 HG13 VAL A 18 21.745 1.494 -1.826 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.612 2.099 0.974 1.00 0.78 H new ATOM 0 HG22 VAL A 18 20.814 3.368 -0.257 1.00 0.78 H new ATOM 0 HG23 VAL A 18 19.220 3.094 0.486 1.00 0.78 H new ATOM 272 N GLY A 19 18.812 4.514 -2.417 1.00 0.38 N ATOM 273 CA GLY A 19 19.104 5.896 -2.661 1.00 0.45 C ATOM 274 C GLY A 19 18.173 6.475 -3.691 1.00 0.40 C ATOM 275 O GLY A 19 18.229 7.670 -3.979 1.00 0.48 O ATOM 0 H GLY A 19 17.824 4.318 -2.255 1.00 0.38 H new ATOM 0 HA2 GLY A 19 19.017 6.458 -1.731 1.00 0.45 H new ATOM 0 HA3 GLY A 19 20.135 5.998 -3.000 1.00 0.45 H new ATOM 279 N GLY A 20 17.303 5.640 -4.267 1.00 0.32 N ATOM 280 CA GLY A 20 16.350 6.154 -5.172 1.00 0.32 C ATOM 281 C GLY A 20 15.049 6.336 -4.495 1.00 0.30 C ATOM 282 O GLY A 20 14.931 6.958 -3.444 1.00 0.44 O ATOM 0 H GLY A 20 17.262 4.633 -4.109 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.696 7.107 -5.573 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.237 5.475 -6.017 1.00 0.32 H new ATOM 286 N SER A 21 14.089 5.778 -5.108 1.00 0.24 N ATOM 287 CA SER A 21 12.763 5.824 -4.659 1.00 0.22 C ATOM 288 C SER A 21 12.011 4.598 -5.093 1.00 0.22 C ATOM 289 O SER A 21 12.478 3.812 -5.912 1.00 0.25 O ATOM 290 CB SER A 21 12.098 7.048 -5.213 1.00 0.30 C ATOM 291 OG SER A 21 12.368 7.211 -6.594 1.00 0.82 O ATOM 0 H SER A 21 14.210 5.254 -5.974 1.00 0.24 H new ATOM 0 HA SER A 21 12.760 5.860 -3.570 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.021 6.979 -5.058 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.442 7.927 -4.669 1.00 0.30 H new ATOM 0 HG SER A 21 11.918 8.017 -6.922 1.00 0.82 H new ATOM 297 N ILE A 22 10.846 4.483 -4.542 1.00 0.22 N ATOM 298 CA ILE A 22 9.875 3.530 -4.926 1.00 0.24 C ATOM 299 C ILE A 22 8.517 4.141 -4.724 1.00 0.25 C ATOM 300 O ILE A 22 8.295 5.016 -3.891 1.00 0.27 O ATOM 301 CB ILE A 22 9.996 2.197 -4.181 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.982 1.187 -4.700 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.843 2.356 -2.680 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.192 0.773 -6.142 1.00 0.32 C ATOM 0 H ILE A 22 10.539 5.083 -3.777 1.00 0.22 H new ATOM 0 HA ILE A 22 10.037 3.283 -5.975 1.00 0.24 H new ATOM 0 HB ILE A 22 11.003 1.826 -4.374 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.018 0.298 -4.071 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.982 1.609 -4.598 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.937 1.382 -2.200 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.619 3.023 -2.304 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.863 2.778 -2.457 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.426 0.052 -6.429 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.125 1.650 -6.786 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.177 0.318 -6.250 1.00 0.32 H new ATOM 316 N THR A 23 7.645 3.716 -5.540 1.00 0.25 N ATOM 317 CA THR A 23 6.302 4.244 -5.570 1.00 0.23 C ATOM 318 C THR A 23 5.298 3.137 -5.757 1.00 0.24 C ATOM 319 O THR A 23 5.412 2.304 -6.657 1.00 0.28 O ATOM 320 CB THR A 23 6.098 5.294 -6.673 1.00 0.26 C ATOM 321 OG1 THR A 23 7.162 6.258 -6.636 1.00 0.31 O ATOM 322 CG2 THR A 23 4.755 6.005 -6.505 1.00 0.24 C ATOM 0 H THR A 23 7.821 2.982 -6.226 1.00 0.25 H new ATOM 0 HA THR A 23 6.148 4.733 -4.608 1.00 0.23 H new ATOM 0 HB THR A 23 6.103 4.783 -7.636 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.026 6.923 -7.343 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.633 6.744 -7.297 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.947 5.275 -6.562 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.726 6.504 -5.536 1.00 0.24 H new ATOM 330 N PHE A 24 4.334 3.139 -4.884 1.00 0.24 N ATOM 331 CA PHE A 24 3.218 2.241 -4.958 1.00 0.27 C ATOM 332 C PHE A 24 1.943 3.059 -4.944 1.00 0.24 C ATOM 333 O PHE A 24 1.911 4.175 -4.428 1.00 0.30 O ATOM 334 CB PHE A 24 3.223 1.285 -3.773 1.00 0.40 C ATOM 335 CG PHE A 24 4.524 0.578 -3.550 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.988 -0.356 -4.457 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.277 0.832 -2.416 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.178 -1.021 -4.244 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.468 0.172 -2.197 1.00 0.51 C ATOM 340 CZ PHE A 24 6.919 -0.758 -3.113 1.00 0.49 C ATOM 0 H PHE A 24 4.300 3.775 -4.087 1.00 0.24 H new ATOM 0 HA PHE A 24 3.284 1.654 -5.874 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.968 1.843 -2.872 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.440 0.541 -3.920 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.411 -0.568 -5.345 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.927 1.556 -1.694 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.528 -1.747 -4.963 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.047 0.382 -1.310 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.850 -1.278 -2.943 1.00 0.49 H new ATOM 350 N SER A 25 0.918 2.519 -5.535 1.00 0.28 N ATOM 351 CA SER A 25 -0.388 3.121 -5.530 1.00 0.28 C ATOM 352 C SER A 25 -1.438 2.036 -5.362 1.00 0.27 C ATOM 353 O SER A 25 -1.475 1.061 -6.108 1.00 0.31 O ATOM 354 CB SER A 25 -0.638 3.867 -6.825 1.00 0.35 C ATOM 355 OG SER A 25 0.581 4.233 -7.458 1.00 0.58 O ATOM 0 H SER A 25 0.964 1.635 -6.042 1.00 0.28 H new ATOM 0 HA SER A 25 -0.446 3.829 -4.703 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.226 3.243 -7.498 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.227 4.761 -6.623 1.00 0.35 H new ATOM 0 HG SER A 25 0.386 4.711 -8.291 1.00 0.58 H new ATOM 361 N ALA A 26 -2.271 2.219 -4.377 1.00 0.26 N ATOM 362 CA ALA A 26 -3.332 1.269 -4.063 1.00 0.26 C ATOM 363 C ALA A 26 -4.690 1.948 -4.140 1.00 0.22 C ATOM 364 O ALA A 26 -4.950 2.920 -3.438 1.00 0.25 O ATOM 365 CB ALA A 26 -3.125 0.660 -2.682 1.00 0.32 C ATOM 0 H ALA A 26 -2.244 3.030 -3.759 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.298 0.466 -4.799 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.929 -0.045 -2.471 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.168 0.138 -2.654 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.129 1.450 -1.931 1.00 0.32 H new ATOM 371 N ARG A 27 -5.553 1.437 -4.999 1.00 0.22 N ATOM 372 CA ARG A 27 -6.862 2.028 -5.199 1.00 0.25 C ATOM 373 C ARG A 27 -7.937 1.135 -4.588 1.00 0.23 C ATOM 374 O ARG A 27 -8.130 0.004 -5.033 1.00 0.31 O ATOM 375 CB ARG A 27 -7.126 2.230 -6.690 1.00 0.36 C ATOM 376 CG ARG A 27 -6.033 3.020 -7.395 1.00 0.28 C ATOM 377 CD ARG A 27 -6.403 3.347 -8.834 1.00 0.46 C ATOM 378 NE ARG A 27 -7.249 4.539 -8.929 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.679 5.067 -10.078 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.415 4.467 -11.235 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.386 6.191 -10.065 1.00 2.43 N ATOM 0 H ARG A 27 -5.370 0.612 -5.570 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.890 2.999 -4.705 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.227 1.256 -7.169 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.077 2.747 -6.816 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -5.845 3.945 -6.850 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.105 2.448 -7.380 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.494 3.501 -9.415 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.924 2.497 -9.276 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.528 4.996 -8.061 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.881 3.598 -11.249 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.746 4.876 -12.109 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -8.599 6.649 -9.179 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -8.716 6.596 -10.941 1.00 2.43 H new ATOM 395 N VAL A 28 -8.644 1.653 -3.590 1.00 0.19 N ATOM 396 CA VAL A 28 -9.605 0.883 -2.848 1.00 0.20 C ATOM 397 C VAL A 28 -10.978 1.510 -2.952 1.00 0.23 C ATOM 398 O VAL A 28 -11.168 2.704 -2.759 1.00 0.24 O ATOM 399 CB VAL A 28 -9.223 0.749 -1.368 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.170 -0.216 -0.665 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.778 0.297 -1.238 1.00 0.23 C ATOM 0 H VAL A 28 -8.559 2.621 -3.281 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.616 -0.115 -3.287 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.316 1.722 -0.886 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -9.888 -0.302 0.384 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.191 0.159 -0.737 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.109 -1.196 -1.139 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.519 0.206 -0.183 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.654 -0.669 -1.727 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.124 1.030 -1.710 1.00 0.23 H new ATOM 411 N ALA A 29 -11.901 0.667 -3.277 1.00 0.29 N ATOM 412 CA ALA A 29 -13.287 1.017 -3.504 1.00 0.32 C ATOM 413 C ALA A 29 -13.974 1.624 -2.284 1.00 0.34 C ATOM 414 O ALA A 29 -14.285 0.935 -1.316 1.00 0.40 O ATOM 415 CB ALA A 29 -14.036 -0.217 -3.953 1.00 0.38 C ATOM 0 H ALA A 29 -11.715 -0.328 -3.400 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.301 1.788 -4.274 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.082 0.035 -4.127 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.595 -0.594 -4.876 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -13.971 -0.983 -3.180 1.00 0.38 H new ATOM 421 N GLY A 30 -14.239 2.912 -2.384 1.00 0.35 N ATOM 422 CA GLY A 30 -14.963 3.658 -1.356 1.00 0.42 C ATOM 423 C GLY A 30 -16.467 3.580 -1.514 1.00 0.50 C ATOM 424 O GLY A 30 -17.187 4.569 -1.381 1.00 0.76 O ATOM 0 H GLY A 30 -13.959 3.480 -3.184 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.686 3.274 -0.374 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.654 4.703 -1.388 1.00 0.42 H new ATOM 428 N ALA A 31 -16.890 2.407 -1.893 1.00 0.49 N ATOM 429 CA ALA A 31 -18.305 2.031 -2.058 1.00 0.55 C ATOM 430 C ALA A 31 -19.195 2.359 -0.862 1.00 0.64 C ATOM 431 O ALA A 31 -18.772 2.937 0.133 1.00 0.71 O ATOM 432 CB ALA A 31 -18.407 0.535 -2.308 1.00 0.58 C ATOM 0 H ALA A 31 -16.250 1.642 -2.109 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.662 2.623 -2.900 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.454 0.257 -2.430 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.856 0.279 -3.213 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.985 -0.005 -1.461 1.00 0.58 H new ATOM 438 N SER A 32 -20.455 1.960 -0.988 1.00 0.85 N ATOM 439 CA SER A 32 -21.386 1.995 0.118 1.00 0.96 C ATOM 440 C SER A 32 -21.159 0.756 0.976 1.00 1.01 C ATOM 441 O SER A 32 -21.143 -0.369 0.469 1.00 1.69 O ATOM 442 CB SER A 32 -22.826 2.044 -0.407 1.00 1.19 C ATOM 443 OG SER A 32 -23.752 2.312 0.635 1.00 1.74 O ATOM 0 H SER A 32 -20.852 1.606 -1.858 1.00 0.85 H new ATOM 0 HA SER A 32 -21.224 2.888 0.722 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.908 2.813 -1.175 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.074 1.094 -0.880 1.00 1.19 H new ATOM 0 HG SER A 32 -24.660 2.338 0.267 1.00 1.74 H new ATOM 449 N LEU A 33 -20.970 0.967 2.263 1.00 0.96 N ATOM 450 CA LEU A 33 -20.596 -0.086 3.171 1.00 0.93 C ATOM 451 C LEU A 33 -20.978 0.259 4.597 1.00 0.90 C ATOM 452 O LEU A 33 -21.533 1.326 4.859 1.00 0.98 O ATOM 453 CB LEU A 33 -19.089 -0.420 3.084 1.00 0.99 C ATOM 454 CG LEU A 33 -18.023 0.711 3.050 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.293 0.689 1.717 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.572 2.106 3.319 1.00 1.95 C ATOM 0 H LEU A 33 -21.073 1.880 2.706 1.00 0.96 H new ATOM 0 HA LEU A 33 -21.150 -0.974 2.868 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.853 -1.057 3.936 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.946 -1.022 2.187 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.338 0.501 3.871 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.547 1.483 1.698 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.800 -0.275 1.588 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.008 0.843 0.908 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.760 2.831 3.276 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.320 2.354 2.566 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.030 2.132 4.308 1.00 1.95 H new ATOM 468 N LEU A 34 -20.716 -0.670 5.506 1.00 0.87 N ATOM 469 CA LEU A 34 -20.956 -0.445 6.921 1.00 0.89 C ATOM 470 C LEU A 34 -20.149 0.757 7.382 1.00 0.84 C ATOM 471 O LEU A 34 -20.674 1.686 7.995 1.00 0.95 O ATOM 472 CB LEU A 34 -20.566 -1.683 7.716 1.00 1.01 C ATOM 473 CG LEU A 34 -21.062 -1.690 9.154 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.573 -1.876 9.204 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.353 -2.771 9.953 1.00 1.47 C ATOM 0 H LEU A 34 -20.335 -1.590 5.285 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.015 -0.248 7.086 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.955 -2.564 7.206 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.480 -1.770 7.719 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.830 -0.725 9.604 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.905 -1.878 10.242 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.058 -1.059 8.669 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.839 -2.824 8.736 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.719 -2.763 10.980 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.551 -3.744 9.504 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.280 -2.582 9.949 1.00 1.47 H new ATOM 487 N LYS A 35 -18.867 0.719 7.063 1.00 0.76 N ATOM 488 CA LYS A 35 -17.983 1.848 7.248 1.00 0.76 C ATOM 489 C LYS A 35 -16.889 1.788 6.196 1.00 0.65 C ATOM 490 O LYS A 35 -16.547 0.694 5.743 1.00 0.75 O ATOM 491 CB LYS A 35 -17.418 1.888 8.681 1.00 0.90 C ATOM 492 CG LYS A 35 -16.901 0.553 9.210 1.00 0.92 C ATOM 493 CD LYS A 35 -15.517 0.218 8.682 1.00 0.90 C ATOM 494 CE LYS A 35 -15.008 -1.092 9.260 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.881 -1.035 10.740 1.00 1.40 N ATOM 0 H LYS A 35 -18.411 -0.103 6.666 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.539 2.777 7.120 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.605 2.614 8.715 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.197 2.250 9.352 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.874 0.583 10.299 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.595 -0.239 8.930 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.547 0.151 7.594 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.825 1.022 8.933 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.688 -1.898 8.985 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.039 -1.329 8.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.289 -1.825 11.068 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.441 -0.134 11.016 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.824 -1.106 11.172 1.00 1.40 H new ATOM 509 N PRO A 36 -16.370 2.956 5.767 1.00 0.65 N ATOM 510 CA PRO A 36 -15.370 3.055 4.691 1.00 0.56 C ATOM 511 C PRO A 36 -14.280 1.997 4.804 1.00 0.45 C ATOM 512 O PRO A 36 -13.880 1.643 5.918 1.00 0.47 O ATOM 513 CB PRO A 36 -14.786 4.447 4.905 1.00 0.61 C ATOM 514 CG PRO A 36 -15.919 5.239 5.457 1.00 0.88 C ATOM 515 CD PRO A 36 -16.717 4.287 6.305 1.00 0.88 C ATOM 0 HA PRO A 36 -15.807 2.897 3.705 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.943 4.423 5.596 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.420 4.873 3.971 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.556 6.079 6.050 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.531 5.655 4.656 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.453 4.373 7.359 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.786 4.483 6.227 1.00 0.88 H new ATOM 523 N PRO A 37 -13.786 1.468 3.663 1.00 0.40 N ATOM 524 CA PRO A 37 -12.774 0.420 3.680 1.00 0.35 C ATOM 525 C PRO A 37 -11.605 0.731 4.596 1.00 0.32 C ATOM 526 O PRO A 37 -11.035 1.825 4.575 1.00 0.36 O ATOM 527 CB PRO A 37 -12.265 0.332 2.254 1.00 0.40 C ATOM 528 CG PRO A 37 -12.988 1.377 1.462 1.00 0.53 C ATOM 529 CD PRO A 37 -14.149 1.858 2.283 1.00 0.47 C ATOM 0 HA PRO A 37 -13.214 -0.505 4.052 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.188 0.498 2.219 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.448 -0.660 1.840 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.320 2.205 1.224 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.335 0.965 0.515 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.284 2.936 2.194 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.083 1.393 1.968 1.00 0.47 H new ATOM 537 N VAL A 38 -11.253 -0.256 5.386 1.00 0.29 N ATOM 538 CA VAL A 38 -10.103 -0.178 6.234 1.00 0.27 C ATOM 539 C VAL A 38 -9.023 -0.945 5.555 1.00 0.22 C ATOM 540 O VAL A 38 -9.040 -2.170 5.490 1.00 0.20 O ATOM 541 CB VAL A 38 -10.299 -0.793 7.614 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.290 -0.234 8.603 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.713 -0.604 8.109 1.00 0.77 C ATOM 0 H VAL A 38 -11.763 -1.137 5.454 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.879 0.877 6.389 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.127 -1.866 7.527 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.449 -0.688 9.581 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.280 -0.459 8.259 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.415 0.846 8.679 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.816 -1.055 9.096 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.937 0.461 8.171 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.407 -1.081 7.417 1.00 0.77 H new ATOM 553 N VAL A 39 -8.130 -0.214 5.037 1.00 0.22 N ATOM 554 CA VAL A 39 -7.013 -0.759 4.349 1.00 0.21 C ATOM 555 C VAL A 39 -5.797 -0.534 5.192 1.00 0.20 C ATOM 556 O VAL A 39 -5.381 0.600 5.430 1.00 0.23 O ATOM 557 CB VAL A 39 -6.756 -0.075 3.008 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.972 -0.988 2.083 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.047 0.409 2.369 1.00 0.24 C ATOM 0 H VAL A 39 -8.142 0.805 5.072 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.222 -1.813 4.167 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.148 0.811 3.192 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.799 -0.482 1.133 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.015 -1.235 2.542 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.538 -1.903 1.909 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.824 0.890 1.417 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.710 -0.440 2.200 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.535 1.124 3.031 1.00 0.24 H new ATOM 569 N LYS A 40 -5.252 -1.604 5.638 1.00 0.19 N ATOM 570 CA LYS A 40 -4.023 -1.582 6.343 1.00 0.20 C ATOM 571 C LYS A 40 -2.917 -2.019 5.454 1.00 0.19 C ATOM 572 O LYS A 40 -2.968 -3.033 4.753 1.00 0.21 O ATOM 573 CB LYS A 40 -4.068 -2.425 7.604 1.00 0.26 C ATOM 574 CG LYS A 40 -4.446 -3.878 7.390 1.00 0.31 C ATOM 575 CD LYS A 40 -3.219 -4.773 7.192 1.00 0.37 C ATOM 576 CE LYS A 40 -3.578 -6.238 7.392 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.383 -7.128 7.401 1.00 1.54 N ATOM 0 H LYS A 40 -5.652 -2.535 5.523 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.842 -0.554 6.658 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.090 -2.386 8.084 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.781 -1.978 8.297 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.018 -4.233 8.248 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.096 -3.958 6.519 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -2.815 -4.627 6.190 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.437 -4.487 7.896 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -4.116 -6.350 8.333 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -4.255 -6.553 6.598 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -2.614 -8.014 7.894 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.100 -7.339 6.423 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -1.600 -6.652 7.893 1.00 1.54 H new ATOM 591 N TRP A 41 -1.968 -1.170 5.449 1.00 0.18 N ATOM 592 CA TRP A 41 -0.739 -1.399 4.771 1.00 0.19 C ATOM 593 C TRP A 41 0.253 -2.137 5.632 1.00 0.21 C ATOM 594 O TRP A 41 0.213 -2.099 6.860 1.00 0.28 O ATOM 595 CB TRP A 41 -0.159 -0.076 4.358 1.00 0.21 C ATOM 596 CG TRP A 41 -0.907 0.545 3.251 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.995 1.356 3.341 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.640 0.364 1.874 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.362 1.769 2.076 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.554 1.147 1.168 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.310 -0.374 1.171 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.551 1.209 -0.211 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.304 -0.318 -0.202 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.619 0.470 -0.877 1.00 0.33 C ATOM 0 H TRP A 41 -2.016 -0.270 5.926 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.942 -2.021 3.899 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.155 0.599 5.214 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.879 -0.216 4.058 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.494 1.633 4.258 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.110 2.427 1.857 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.036 -0.978 1.695 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.263 1.822 -0.744 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.026 -0.894 -0.763 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.598 0.498 -1.956 1.00 0.33 H new ATOM 615 N PHE A 42 1.139 -2.793 4.944 1.00 0.21 N ATOM 616 CA PHE A 42 2.296 -3.404 5.524 1.00 0.23 C ATOM 617 C PHE A 42 3.416 -3.009 4.611 1.00 0.26 C ATOM 618 O PHE A 42 3.255 -3.016 3.395 1.00 0.34 O ATOM 619 CB PHE A 42 2.172 -4.934 5.599 1.00 0.26 C ATOM 620 CG PHE A 42 3.192 -5.589 6.504 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.930 -5.753 7.854 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.410 -6.036 6.007 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.859 -6.348 8.689 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.347 -6.632 6.842 1.00 0.50 C ATOM 625 CZ PHE A 42 5.068 -6.787 8.184 1.00 0.60 C ATOM 0 H PHE A 42 1.074 -2.921 3.934 1.00 0.21 H new ATOM 0 HA PHE A 42 2.447 -3.079 6.553 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.172 -5.191 5.949 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.274 -5.346 4.595 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.989 -5.412 8.260 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.632 -5.918 4.957 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.638 -6.470 9.739 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.290 -6.973 6.442 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.792 -7.250 8.838 1.00 0.60 H new ATOM 635 N LYS A 43 4.511 -2.618 5.171 1.00 0.28 N ATOM 636 CA LYS A 43 5.598 -2.102 4.398 1.00 0.31 C ATOM 637 C LYS A 43 6.568 -3.250 4.223 1.00 0.39 C ATOM 638 O LYS A 43 6.296 -4.284 4.773 1.00 0.81 O ATOM 639 CB LYS A 43 6.233 -0.870 5.085 1.00 0.40 C ATOM 640 CG LYS A 43 7.384 -0.251 4.321 1.00 0.54 C ATOM 641 CD LYS A 43 8.078 0.839 5.106 1.00 0.67 C ATOM 642 CE LYS A 43 9.141 1.497 4.253 1.00 1.29 C ATOM 643 NZ LYS A 43 10.043 0.497 3.622 1.00 2.17 N ATOM 0 H LYS A 43 4.681 -2.646 6.176 1.00 0.28 H new ATOM 0 HA LYS A 43 5.271 -1.740 3.423 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.462 -0.114 5.232 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.585 -1.162 6.074 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.106 -1.027 4.066 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.013 0.161 3.382 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.351 1.582 5.432 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.530 0.419 6.005 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.664 2.096 3.477 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.729 2.179 4.867 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 11.017 0.863 3.616 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 10.010 -0.391 4.163 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.734 0.319 2.645 1.00 2.17 H new ATOM 657 N GLY A 44 7.588 -3.044 3.385 1.00 0.64 N ATOM 658 CA GLY A 44 8.751 -3.931 3.162 1.00 0.92 C ATOM 659 C GLY A 44 9.049 -5.052 4.184 1.00 0.39 C ATOM 660 O GLY A 44 8.229 -5.432 4.940 1.00 1.23 O ATOM 0 H GLY A 44 7.634 -2.206 2.806 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.623 -4.401 2.187 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.638 -3.300 3.098 1.00 0.92 H new ATOM 664 N LYS A 45 10.182 -5.726 4.034 1.00 0.85 N ATOM 665 CA LYS A 45 10.449 -7.047 4.664 1.00 1.06 C ATOM 666 C LYS A 45 10.008 -7.230 6.145 1.00 0.74 C ATOM 667 O LYS A 45 10.075 -8.350 6.652 1.00 0.82 O ATOM 668 CB LYS A 45 11.962 -7.285 4.636 1.00 1.67 C ATOM 669 CG LYS A 45 12.397 -8.454 3.776 1.00 2.44 C ATOM 670 CD LYS A 45 13.888 -8.720 3.932 1.00 2.82 C ATOM 671 CE LYS A 45 14.261 -9.009 5.382 1.00 2.98 C ATOM 672 NZ LYS A 45 13.513 -10.175 5.928 1.00 3.87 N ATOM 0 H LYS A 45 10.959 -5.382 3.470 1.00 0.85 H new ATOM 0 HA LYS A 45 9.851 -7.748 4.082 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.453 -6.381 4.274 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.310 -7.451 5.656 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.834 -9.345 4.055 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.168 -8.246 2.731 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.174 -9.566 3.307 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.451 -7.857 3.577 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.332 -9.201 5.450 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.056 -8.129 5.992 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.891 -10.422 6.865 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.506 -9.932 6.014 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.620 -10.987 5.287 1.00 3.87 H new ATOM 686 N TRP A 46 9.581 -6.179 6.838 1.00 0.58 N ATOM 687 CA TRP A 46 9.188 -6.303 8.239 1.00 0.57 C ATOM 688 C TRP A 46 8.335 -5.142 8.751 1.00 0.63 C ATOM 689 O TRP A 46 7.849 -5.167 9.886 1.00 0.74 O ATOM 690 CB TRP A 46 10.434 -6.330 9.082 1.00 0.76 C ATOM 691 CG TRP A 46 11.456 -5.328 8.642 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.336 -5.465 7.616 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.685 -4.036 9.204 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.101 -4.333 7.492 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.721 -3.437 8.463 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.110 -3.328 10.260 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.189 -2.156 8.749 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.573 -2.063 10.542 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.601 -1.487 9.793 1.00 2.11 C ATOM 0 H TRP A 46 9.498 -5.237 6.456 1.00 0.58 H new ATOM 0 HA TRP A 46 8.593 -7.214 8.310 1.00 0.57 H new ATOM 0 HB2 TRP A 46 10.168 -6.138 10.121 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.871 -7.328 9.044 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.421 -6.340 6.988 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.830 -4.181 6.795 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.315 -3.765 10.846 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.984 -1.707 8.171 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.134 -1.506 11.357 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.941 -0.492 10.041 1.00 2.11 H new ATOM 710 N VAL A 47 8.173 -4.136 7.928 1.00 0.63 N ATOM 711 CA VAL A 47 7.765 -2.863 8.356 1.00 0.74 C ATOM 712 C VAL A 47 6.277 -2.675 8.269 1.00 0.59 C ATOM 713 O VAL A 47 5.539 -3.392 7.605 1.00 0.57 O ATOM 714 CB VAL A 47 8.441 -1.748 7.531 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.146 -0.789 8.453 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.421 -2.290 6.493 1.00 1.29 C ATOM 0 H VAL A 47 8.330 -4.203 6.922 1.00 0.63 H new ATOM 0 HA VAL A 47 8.069 -2.794 9.400 1.00 0.74 H new ATOM 0 HB VAL A 47 7.653 -1.231 6.983 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.622 -0.003 7.866 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.423 -0.344 9.137 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.904 -1.325 9.025 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.865 -1.460 5.944 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.207 -2.855 6.995 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.892 -2.943 5.799 1.00 1.29 H new ATOM 726 N ASP A 48 5.902 -1.669 8.960 1.00 0.60 N ATOM 727 CA ASP A 48 4.617 -1.098 8.960 1.00 0.56 C ATOM 728 C ASP A 48 4.758 0.234 8.281 1.00 0.58 C ATOM 729 O ASP A 48 5.864 0.724 8.146 1.00 0.96 O ATOM 730 CB ASP A 48 4.151 -0.891 10.387 1.00 0.73 C ATOM 731 CG ASP A 48 5.113 -0.073 11.219 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.204 -0.581 11.575 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.779 1.086 11.521 1.00 2.22 O ATOM 0 H ASP A 48 6.540 -1.185 9.592 1.00 0.60 H new ATOM 0 HA ASP A 48 3.893 -1.737 8.454 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.180 -0.396 10.376 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.009 -1.863 10.860 1.00 0.73 H new ATOM 738 N LEU A 49 3.694 0.761 7.760 1.00 0.39 N ATOM 739 CA LEU A 49 3.705 2.137 7.313 1.00 0.35 C ATOM 740 C LEU A 49 3.084 3.068 8.322 1.00 0.41 C ATOM 741 O LEU A 49 3.521 4.198 8.452 1.00 0.44 O ATOM 742 CB LEU A 49 2.972 2.319 6.000 1.00 0.29 C ATOM 743 CG LEU A 49 3.565 1.645 4.773 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.075 0.233 4.595 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.178 2.415 3.560 1.00 0.28 C ATOM 0 H LEU A 49 2.808 0.272 7.630 1.00 0.39 H new ATOM 0 HA LEU A 49 4.758 2.385 7.183 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.954 1.952 6.128 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.902 3.388 5.798 1.00 0.29 H new ATOM 0 HG LEU A 49 4.646 1.620 4.913 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.530 -0.200 3.704 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.349 -0.360 5.468 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.991 0.235 4.484 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.600 1.937 2.676 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.092 2.439 3.476 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.559 3.433 3.639 1.00 0.28 H new ATOM 757 N SER A 50 2.134 2.567 9.082 1.00 0.48 N ATOM 758 CA SER A 50 1.225 3.388 9.853 1.00 0.58 C ATOM 759 C SER A 50 2.008 4.283 10.778 1.00 0.62 C ATOM 760 O SER A 50 1.526 5.331 11.211 1.00 0.70 O ATOM 761 CB SER A 50 0.260 2.494 10.641 1.00 0.73 C ATOM 762 OG SER A 50 -0.720 3.259 11.324 1.00 1.23 O ATOM 0 H SER A 50 1.969 1.566 9.183 1.00 0.48 H new ATOM 0 HA SER A 50 0.640 4.016 9.181 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.230 1.798 9.960 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.821 1.896 11.359 1.00 0.73 H new ATOM 0 HG SER A 50 -1.320 2.659 11.815 1.00 1.23 H new ATOM 768 N SER A 51 3.234 3.882 11.057 1.00 0.64 N ATOM 769 CA SER A 51 4.033 4.639 11.950 1.00 0.75 C ATOM 770 C SER A 51 5.017 5.525 11.203 1.00 0.72 C ATOM 771 O SER A 51 5.289 6.664 11.588 1.00 0.85 O ATOM 772 CB SER A 51 4.767 3.726 12.924 1.00 0.90 C ATOM 773 OG SER A 51 5.300 4.445 14.023 1.00 1.34 O ATOM 0 H SER A 51 3.677 3.046 10.675 1.00 0.64 H new ATOM 0 HA SER A 51 3.367 5.288 12.518 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.083 2.960 13.289 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.573 3.211 12.402 1.00 0.90 H new ATOM 0 HG SER A 51 5.762 3.826 14.626 1.00 1.34 H new ATOM 779 N LYS A 52 5.506 4.990 10.109 1.00 0.62 N ATOM 780 CA LYS A 52 6.645 5.544 9.409 1.00 0.66 C ATOM 781 C LYS A 52 6.216 6.596 8.403 1.00 0.67 C ATOM 782 O LYS A 52 6.982 7.502 8.081 1.00 1.09 O ATOM 783 CB LYS A 52 7.410 4.441 8.681 1.00 0.65 C ATOM 784 CG LYS A 52 7.021 3.010 9.022 1.00 0.70 C ATOM 785 CD LYS A 52 7.063 2.666 10.509 1.00 0.78 C ATOM 786 CE LYS A 52 8.351 1.981 10.921 1.00 1.02 C ATOM 787 NZ LYS A 52 8.191 1.280 12.226 1.00 1.40 N ATOM 0 H LYS A 52 5.122 4.151 9.675 1.00 0.62 H new ATOM 0 HA LYS A 52 7.290 6.011 10.153 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.278 4.585 7.609 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.472 4.566 8.891 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.013 2.825 8.650 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.687 2.332 8.489 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.941 3.579 11.091 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.220 2.019 10.751 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.648 1.265 10.154 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.151 2.718 10.996 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.119 0.950 12.559 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.785 1.935 12.924 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.557 0.465 12.107 1.00 1.40 H new ATOM 801 N VAL A 53 5.027 6.378 7.863 1.00 0.34 N ATOM 802 CA VAL A 53 4.324 7.291 6.987 1.00 0.32 C ATOM 803 C VAL A 53 4.549 8.723 7.398 1.00 0.33 C ATOM 804 O VAL A 53 3.903 9.265 8.298 1.00 0.37 O ATOM 805 CB VAL A 53 2.818 6.959 6.972 1.00 0.32 C ATOM 806 CG1 VAL A 53 1.987 8.031 6.292 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.593 5.649 6.278 1.00 0.35 C ATOM 0 H VAL A 53 4.505 5.519 8.034 1.00 0.34 H new ATOM 0 HA VAL A 53 4.720 7.170 5.979 1.00 0.32 H new ATOM 0 HB VAL A 53 2.496 6.903 8.012 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.936 7.743 6.311 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.114 8.978 6.817 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.313 8.143 5.258 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.527 5.420 6.270 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.958 5.713 5.253 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.130 4.861 6.806 1.00 0.35 H new ATOM 817 N GLY A 54 5.533 9.279 6.759 1.00 0.35 N ATOM 818 CA GLY A 54 5.900 10.656 6.999 1.00 0.41 C ATOM 819 C GLY A 54 6.741 11.265 5.898 1.00 0.44 C ATOM 820 O GLY A 54 6.212 11.760 4.908 1.00 0.70 O ATOM 0 H GLY A 54 6.104 8.803 6.061 1.00 0.35 H new ATOM 0 HA2 GLY A 54 4.993 11.248 7.120 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.449 10.717 7.939 1.00 0.41 H new ATOM 824 N GLN A 55 8.055 11.211 6.059 1.00 0.36 N ATOM 825 CA GLN A 55 8.961 11.967 5.202 1.00 0.43 C ATOM 826 C GLN A 55 9.470 11.146 4.017 1.00 0.39 C ATOM 827 O GLN A 55 9.496 11.640 2.891 1.00 0.50 O ATOM 828 CB GLN A 55 10.137 12.495 6.027 1.00 0.61 C ATOM 829 CG GLN A 55 9.709 13.434 7.146 1.00 1.43 C ATOM 830 CD GLN A 55 10.878 14.044 7.892 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.787 15.166 8.397 1.00 2.75 O ATOM 832 NE2 GLN A 55 11.983 13.320 7.972 1.00 2.69 N ATOM 0 H GLN A 55 8.519 10.652 6.775 1.00 0.36 H new ATOM 0 HA GLN A 55 8.396 12.803 4.788 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.679 11.652 6.456 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.830 13.018 5.368 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.097 14.233 6.727 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.082 12.888 7.850 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.020 12.396 7.541 1.00 2.69 H new ATOM 0 HE22 GLN A 55 12.798 13.686 8.464 1.00 2.69 H new ATOM 841 N HIS A 56 9.874 9.902 4.259 1.00 0.36 N ATOM 842 CA HIS A 56 10.419 9.072 3.178 1.00 0.41 C ATOM 843 C HIS A 56 9.339 8.183 2.586 1.00 0.35 C ATOM 844 O HIS A 56 9.308 7.931 1.392 1.00 0.42 O ATOM 845 CB HIS A 56 11.601 8.229 3.665 1.00 0.54 C ATOM 846 CG HIS A 56 11.235 7.051 4.516 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.978 5.810 3.990 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.092 6.927 5.853 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.686 4.970 4.965 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.749 5.621 6.112 1.00 1.33 N ATOM 0 H HIS A 56 9.838 9.450 5.172 1.00 0.36 H new ATOM 0 HA HIS A 56 10.783 9.741 2.398 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.155 7.872 2.797 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.276 8.871 4.231 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.223 7.710 6.585 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.437 3.926 4.845 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.573 5.222 7.034 1.00 1.33 H new ATOM 859 N LEU A 57 8.466 7.725 3.446 1.00 0.28 N ATOM 860 CA LEU A 57 7.299 6.966 3.061 1.00 0.25 C ATOM 861 C LEU A 57 6.113 7.804 3.442 1.00 0.23 C ATOM 862 O LEU A 57 5.809 7.945 4.606 1.00 0.29 O ATOM 863 CB LEU A 57 7.312 5.599 3.814 1.00 0.38 C ATOM 864 CG LEU A 57 6.066 4.679 3.870 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.684 4.443 5.310 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.875 5.196 3.080 1.00 1.10 C ATOM 0 H LEU A 57 8.546 7.871 4.452 1.00 0.28 H new ATOM 0 HA LEU A 57 7.271 6.745 1.994 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.119 5.009 3.380 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.592 5.811 4.846 1.00 0.38 H new ATOM 0 HG LEU A 57 6.347 3.742 3.389 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.808 3.796 5.353 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.513 3.966 5.833 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.455 5.396 5.787 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.046 4.494 3.171 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.573 6.168 3.471 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.151 5.297 2.030 1.00 1.10 H new ATOM 878 N GLN A 58 5.479 8.374 2.457 1.00 0.20 N ATOM 879 CA GLN A 58 4.200 8.947 2.628 1.00 0.21 C ATOM 880 C GLN A 58 3.207 7.957 2.091 1.00 0.18 C ATOM 881 O GLN A 58 3.181 7.658 0.899 1.00 0.19 O ATOM 882 CB GLN A 58 4.081 10.255 1.849 1.00 0.27 C ATOM 883 CG GLN A 58 5.221 11.228 2.076 1.00 0.46 C ATOM 884 CD GLN A 58 6.381 11.062 1.114 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.387 11.636 0.027 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.387 10.317 1.521 1.00 0.28 N ATOM 0 H GLN A 58 5.850 8.448 1.510 1.00 0.20 H new ATOM 0 HA GLN A 58 4.023 9.169 3.680 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.022 10.025 0.785 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.145 10.742 2.122 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.838 12.245 1.993 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.589 11.108 3.095 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.345 9.856 2.430 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.208 10.200 0.927 1.00 0.28 H new ATOM 895 N LEU A 59 2.408 7.467 2.976 1.00 0.20 N ATOM 896 CA LEU A 59 1.293 6.630 2.630 1.00 0.20 C ATOM 897 C LEU A 59 0.082 7.556 2.681 1.00 0.21 C ATOM 898 O LEU A 59 -0.513 7.793 3.732 1.00 0.23 O ATOM 899 CB LEU A 59 1.196 5.440 3.630 1.00 0.23 C ATOM 900 CG LEU A 59 0.272 4.266 3.308 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.012 3.534 4.605 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.015 4.714 2.645 1.00 0.23 C ATOM 0 H LEU A 59 2.506 7.635 3.977 1.00 0.20 H new ATOM 0 HA LEU A 59 1.379 6.172 1.645 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.201 5.039 3.761 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.887 5.846 4.593 1.00 0.23 H new ATOM 0 HG LEU A 59 0.749 3.603 2.586 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.646 2.685 4.418 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.956 3.177 5.017 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.462 4.211 5.316 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.638 3.845 2.436 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.550 5.392 3.310 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.784 5.228 1.712 1.00 0.23 H new ATOM 914 N HIS A 60 -0.215 8.115 1.529 1.00 0.22 N ATOM 915 CA HIS A 60 -1.275 9.058 1.348 1.00 0.25 C ATOM 916 C HIS A 60 -2.571 8.361 1.094 1.00 0.24 C ATOM 917 O HIS A 60 -2.625 7.186 0.767 1.00 0.26 O ATOM 918 CB HIS A 60 -1.013 9.986 0.171 1.00 0.37 C ATOM 919 CG HIS A 60 0.020 11.044 0.397 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.380 11.943 -0.581 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.751 11.368 1.490 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.289 12.769 -0.103 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.532 12.444 1.151 1.00 2.03 N ATOM 0 H HIS A 60 0.296 7.913 0.670 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.326 9.640 2.269 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.707 9.382 -0.683 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.950 10.471 -0.101 1.00 0.37 H new ATOM 0 HD2 HIS A 60 0.724 10.872 2.449 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.756 13.576 -0.647 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.193 12.915 1.769 1.00 2.03 H new ATOM 932 N ASP A 61 -3.587 9.126 1.253 1.00 0.29 N ATOM 933 CA ASP A 61 -4.929 8.727 0.987 1.00 0.32 C ATOM 934 C ASP A 61 -5.605 9.764 0.147 1.00 0.35 C ATOM 935 O ASP A 61 -5.763 10.923 0.523 1.00 0.48 O ATOM 936 CB ASP A 61 -5.746 8.494 2.241 1.00 0.44 C ATOM 937 CG ASP A 61 -5.617 9.589 3.290 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.507 9.772 3.839 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.637 10.241 3.603 1.00 0.92 O ATOM 0 H ASP A 61 -3.509 10.087 1.585 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.871 7.774 0.460 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.795 8.396 1.963 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.444 7.545 2.685 1.00 0.44 H new ATOM 944 N SER A 62 -5.936 9.325 -1.013 1.00 0.29 N ATOM 945 CA SER A 62 -6.764 10.082 -1.919 1.00 0.32 C ATOM 946 C SER A 62 -8.175 9.575 -1.787 1.00 0.32 C ATOM 947 O SER A 62 -8.391 8.402 -1.493 1.00 0.41 O ATOM 948 CB SER A 62 -6.303 9.955 -3.363 1.00 0.40 C ATOM 949 OG SER A 62 -4.890 9.918 -3.449 1.00 0.47 O ATOM 0 H SER A 62 -5.642 8.419 -1.378 1.00 0.29 H new ATOM 0 HA SER A 62 -6.697 11.138 -1.658 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.720 9.049 -3.802 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.683 10.795 -3.944 1.00 0.40 H new ATOM 0 HG SER A 62 -4.564 9.060 -3.107 1.00 0.47 H new ATOM 955 N TYR A 63 -9.124 10.439 -1.997 1.00 0.38 N ATOM 956 CA TYR A 63 -10.498 10.104 -1.759 1.00 0.45 C ATOM 957 C TYR A 63 -11.380 10.650 -2.845 1.00 0.47 C ATOM 958 O TYR A 63 -11.713 11.837 -2.894 1.00 0.54 O ATOM 959 CB TYR A 63 -10.911 10.572 -0.368 1.00 0.64 C ATOM 960 CG TYR A 63 -12.402 10.631 -0.098 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.205 9.506 -0.214 1.00 0.84 C ATOM 962 CD2 TYR A 63 -13.000 11.822 0.291 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.564 9.570 0.048 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.352 11.894 0.557 1.00 1.06 C ATOM 965 CZ TYR A 63 -15.131 10.766 0.433 1.00 1.07 C ATOM 966 OH TYR A 63 -16.479 10.834 0.702 1.00 1.39 O ATOM 0 H TYR A 63 -8.970 11.389 -2.335 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.618 9.021 -1.787 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.456 9.908 0.366 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.493 11.565 -0.202 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.764 8.566 -0.513 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.394 12.711 0.387 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.177 8.686 -0.049 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.797 12.830 0.861 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.715 11.749 0.961 1.00 1.39 H new ATOM 976 N ASP A 64 -11.691 9.758 -3.742 1.00 0.47 N ATOM 977 CA ASP A 64 -12.577 10.024 -4.824 1.00 0.57 C ATOM 978 C ASP A 64 -13.861 9.257 -4.607 1.00 0.57 C ATOM 979 O ASP A 64 -13.897 8.038 -4.734 1.00 0.63 O ATOM 980 CB ASP A 64 -11.974 9.550 -6.117 1.00 0.71 C ATOM 981 CG ASP A 64 -10.584 10.088 -6.401 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.595 9.443 -5.997 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.471 11.132 -7.079 1.00 2.00 O ATOM 0 H ASP A 64 -11.324 8.806 -3.735 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.762 11.097 -4.870 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.932 8.461 -6.105 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.634 9.835 -6.936 1.00 0.71 H new ATOM 988 N ARG A 65 -14.887 9.969 -4.261 1.00 0.60 N ATOM 989 CA ARG A 65 -16.202 9.384 -4.062 1.00 0.64 C ATOM 990 C ARG A 65 -16.805 8.975 -5.395 1.00 0.74 C ATOM 991 O ARG A 65 -17.326 7.876 -5.552 1.00 0.88 O ATOM 992 CB ARG A 65 -17.110 10.395 -3.377 1.00 0.74 C ATOM 993 CG ARG A 65 -17.805 9.856 -2.152 1.00 0.86 C ATOM 994 CD ARG A 65 -18.711 8.690 -2.495 1.00 1.00 C ATOM 995 NE ARG A 65 -19.749 8.506 -1.482 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.316 7.338 -1.182 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.942 6.235 -1.815 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.265 7.281 -0.256 1.00 2.07 N ATOM 0 H ARG A 65 -14.850 10.976 -4.105 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.104 8.498 -3.435 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.520 11.267 -3.095 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.861 10.736 -4.089 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -17.062 9.538 -1.421 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.391 10.649 -1.686 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -19.175 8.861 -3.467 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.118 7.779 -2.580 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.061 9.330 -0.968 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.219 6.279 -2.533 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.377 5.342 -1.584 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.560 8.131 0.225 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.700 6.388 -0.026 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.701 9.878 -6.347 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.234 9.680 -7.689 1.00 0.93 C ATOM 1014 C ALA A 66 -16.542 8.522 -8.383 1.00 0.83 C ATOM 1015 O ALA A 66 -17.135 7.820 -9.199 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.094 10.957 -8.509 1.00 1.15 C ATOM 0 H ALA A 66 -16.241 10.779 -6.216 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.293 9.436 -7.602 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.496 10.793 -9.509 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.644 11.763 -8.024 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.041 11.229 -8.582 1.00 1.15 H new ATOM 1022 N SER A 67 -15.289 8.314 -8.031 1.00 0.72 N ATOM 1023 CA SER A 67 -14.532 7.207 -8.576 1.00 0.72 C ATOM 1024 C SER A 67 -14.726 5.993 -7.689 1.00 0.58 C ATOM 1025 O SER A 67 -14.509 4.858 -8.116 1.00 0.63 O ATOM 1026 CB SER A 67 -13.048 7.568 -8.676 1.00 0.83 C ATOM 1027 OG SER A 67 -12.858 8.775 -9.399 1.00 1.41 O ATOM 0 H SER A 67 -14.775 8.897 -7.371 1.00 0.72 H new ATOM 0 HA SER A 67 -14.889 6.983 -9.581 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.628 7.671 -7.675 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.507 6.759 -9.167 1.00 0.83 H new ATOM 0 HG SER A 67 -11.901 8.981 -9.445 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.163 6.258 -6.453 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.324 5.226 -5.439 1.00 0.50 C ATOM 1035 C LYS A 68 -13.969 4.610 -5.165 1.00 0.44 C ATOM 1036 O LYS A 68 -13.822 3.399 -5.024 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.304 4.154 -5.897 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.749 3.216 -4.787 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.628 2.095 -5.302 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.907 0.766 -5.194 1.00 2.27 C ATOM 1041 NZ LYS A 68 -16.070 0.489 -6.394 1.00 3.31 N ATOM 0 H LYS A 68 -15.413 7.194 -6.134 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.727 5.673 -4.531 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.182 4.637 -6.326 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.842 3.568 -6.692 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -15.872 2.792 -4.299 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.292 3.783 -4.031 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.556 2.060 -4.731 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.900 2.285 -6.340 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.277 0.766 -4.304 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.637 -0.034 -5.068 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -15.942 -0.538 -6.498 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -16.541 0.867 -7.241 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -15.142 0.944 -6.282 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.976 5.464 -5.110 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.619 5.038 -4.892 1.00 0.31 C ATOM 1057 C VAL A 69 -10.945 5.885 -3.841 1.00 0.29 C ATOM 1058 O VAL A 69 -10.896 7.112 -3.926 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.750 5.123 -6.152 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.399 4.489 -5.902 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.428 4.475 -7.348 1.00 0.43 C ATOM 0 H VAL A 69 -13.088 6.472 -5.215 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.699 3.998 -4.577 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.609 6.178 -6.387 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.793 4.557 -6.805 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.897 5.012 -5.088 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.533 3.441 -5.633 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.781 4.556 -8.221 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.618 3.423 -7.133 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.373 4.980 -7.549 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.446 5.205 -2.860 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.480 5.757 -1.961 1.00 0.25 C ATOM 1073 C TYR A 70 -8.139 5.290 -2.456 1.00 0.22 C ATOM 1074 O TYR A 70 -7.790 4.115 -2.340 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.632 5.284 -0.522 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.002 5.433 0.097 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.027 6.118 -0.540 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.259 4.880 1.341 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.266 6.246 0.048 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.494 5.004 1.939 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.497 5.688 1.288 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.734 5.818 1.879 1.00 0.93 O ATOM 0 H TYR A 70 -10.700 4.238 -2.656 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.605 6.840 -1.948 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.350 4.232 -0.478 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.918 5.831 0.094 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.851 6.557 -1.511 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.475 4.341 1.852 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.054 6.782 -0.460 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -12.674 4.568 2.911 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.185 4.948 1.889 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.423 6.189 -3.042 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.131 5.876 -3.585 1.00 0.19 C ATOM 1094 C LEU A 71 -5.080 6.217 -2.571 1.00 0.20 C ATOM 1095 O LEU A 71 -4.745 7.373 -2.328 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.864 6.605 -4.905 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.394 6.612 -5.364 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.776 5.212 -5.300 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.281 7.174 -6.772 1.00 0.52 C ATOM 0 H LEU A 71 -7.709 7.161 -3.161 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.103 4.809 -3.808 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.469 6.144 -5.685 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.202 7.637 -4.807 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.838 7.253 -4.680 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.739 5.257 -5.631 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.814 4.844 -4.275 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.335 4.537 -5.948 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.236 7.172 -7.082 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.864 6.558 -7.457 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.662 8.195 -6.788 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.575 5.188 -1.992 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.491 5.289 -1.087 1.00 0.21 C ATOM 1113 C PHE A 72 -2.213 5.272 -1.878 1.00 0.23 C ATOM 1114 O PHE A 72 -1.866 4.294 -2.545 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.528 4.153 -0.096 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.700 4.198 0.841 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.896 3.587 0.505 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.605 4.853 2.059 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -6.976 3.633 1.363 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.681 4.901 2.922 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.870 4.290 2.573 1.00 0.30 C ATOM 0 H PHE A 72 -4.910 4.236 -2.137 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.558 6.219 -0.522 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.548 3.209 -0.641 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.608 4.164 0.488 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -5.985 3.069 -0.438 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.677 5.332 2.336 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.905 3.155 1.088 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.594 5.415 3.868 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.715 4.326 3.245 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.552 6.375 -1.808 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.322 6.585 -2.515 1.00 0.26 C ATOM 1133 C GLU A 73 0.811 6.303 -1.592 1.00 0.20 C ATOM 1134 O GLU A 73 0.839 6.753 -0.455 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.122 8.016 -2.992 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.261 8.645 -3.762 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.904 10.064 -4.154 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.044 10.234 -5.041 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.432 11.013 -3.540 1.00 1.32 O ATOM 0 H GLU A 73 -1.850 7.175 -1.250 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.360 5.928 -3.384 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.084 8.638 -2.121 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.768 8.043 -3.620 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.476 8.056 -4.654 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.166 8.644 -3.154 1.00 0.59 H new ATOM 1146 N LEU A 74 1.741 5.588 -2.096 1.00 0.21 N ATOM 1147 CA LEU A 74 2.969 5.360 -1.411 1.00 0.21 C ATOM 1148 C LEU A 74 4.012 6.158 -2.088 1.00 0.20 C ATOM 1149 O LEU A 74 4.390 5.879 -3.227 1.00 0.25 O ATOM 1150 CB LEU A 74 3.415 3.920 -1.472 1.00 0.27 C ATOM 1151 CG LEU A 74 2.500 2.922 -0.787 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.372 3.300 0.665 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.142 2.870 -1.455 1.00 0.96 C ATOM 0 H LEU A 74 1.678 5.135 -3.008 1.00 0.21 H new ATOM 0 HA LEU A 74 2.820 5.631 -0.366 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.517 3.634 -2.519 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.406 3.846 -1.023 1.00 0.27 H new ATOM 0 HG LEU A 74 2.932 1.925 -0.869 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.716 2.590 1.169 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.356 3.282 1.134 1.00 0.85 H new ATOM 0 HD13 LEU A 74 1.951 4.302 0.744 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.511 2.146 -0.940 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.676 3.854 -1.409 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.260 2.572 -2.497 1.00 0.96 H new ATOM 1165 N HIS A 75 4.470 7.135 -1.412 1.00 0.18 N ATOM 1166 CA HIS A 75 5.625 7.814 -1.883 1.00 0.19 C ATOM 1167 C HIS A 75 6.684 7.400 -0.923 1.00 0.19 C ATOM 1168 O HIS A 75 6.819 7.960 0.155 1.00 0.19 O ATOM 1169 CB HIS A 75 5.428 9.340 -1.918 1.00 0.23 C ATOM 1170 CG HIS A 75 4.417 9.812 -2.934 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.724 10.689 -3.955 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.092 9.540 -3.072 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.641 10.932 -4.672 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.638 10.247 -4.159 1.00 0.94 N ATOM 0 H HIS A 75 4.075 7.486 -0.540 1.00 0.18 H new ATOM 0 HA HIS A 75 5.873 7.560 -2.914 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.117 9.677 -0.929 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.387 9.814 -2.129 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.504 8.888 -2.443 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.587 11.582 -5.533 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.681 10.243 -4.512 1.00 0.94 H new ATOM 1183 N ILE A 76 7.395 6.371 -1.303 1.00 0.21 N ATOM 1184 CA ILE A 76 8.410 5.826 -0.456 1.00 0.23 C ATOM 1185 C ILE A 76 9.725 5.888 -1.162 1.00 0.25 C ATOM 1186 O ILE A 76 10.049 5.089 -2.015 1.00 0.28 O ATOM 1187 CB ILE A 76 8.109 4.378 -0.082 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.740 4.274 0.589 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.202 3.803 0.818 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.368 2.858 0.980 1.00 0.52 C ATOM 0 H ILE A 76 7.285 5.895 -2.199 1.00 0.21 H new ATOM 0 HA ILE A 76 8.440 6.415 0.461 1.00 0.23 H new ATOM 0 HB ILE A 76 8.089 3.787 -0.998 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.731 4.903 1.479 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.981 4.668 -0.087 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.961 2.770 1.069 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.158 3.836 0.296 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.268 4.392 1.733 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.385 2.857 1.451 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.345 2.229 0.090 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.106 2.468 1.681 1.00 0.52 H new ATOM 1202 N THR A 77 10.467 6.845 -0.799 1.00 0.24 N ATOM 1203 CA THR A 77 11.726 7.046 -1.354 1.00 0.26 C ATOM 1204 C THR A 77 12.759 6.524 -0.430 1.00 0.36 C ATOM 1205 O THR A 77 12.513 6.219 0.743 1.00 0.58 O ATOM 1206 CB THR A 77 11.997 8.521 -1.641 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.849 9.300 -0.447 1.00 0.41 O ATOM 1208 CG2 THR A 77 11.047 9.014 -2.701 1.00 0.37 C ATOM 0 H THR A 77 10.207 7.528 -0.088 1.00 0.24 H new ATOM 0 HA THR A 77 11.761 6.513 -2.304 1.00 0.26 H new ATOM 0 HB THR A 77 13.021 8.628 -1.998 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.730 9.454 -0.045 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.243 10.067 -2.904 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.189 8.436 -3.614 1.00 0.37 H new ATOM 0 HG23 THR A 77 10.021 8.896 -2.353 1.00 0.37 H new ATOM 1216 N ASP A 78 13.883 6.425 -1.017 1.00 0.30 N ATOM 1217 CA ASP A 78 15.095 6.012 -0.381 1.00 0.45 C ATOM 1218 C ASP A 78 14.913 4.730 0.385 1.00 0.45 C ATOM 1219 O ASP A 78 14.842 4.691 1.616 1.00 0.70 O ATOM 1220 CB ASP A 78 15.591 7.057 0.541 1.00 0.61 C ATOM 1221 CG ASP A 78 15.747 8.427 -0.094 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.837 8.718 -0.625 1.00 1.97 O ATOM 1223 OD2 ASP A 78 14.779 9.223 -0.043 1.00 2.12 O ATOM 0 H ASP A 78 14.004 6.638 -2.007 1.00 0.30 H new ATOM 0 HA ASP A 78 15.825 5.847 -1.173 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.905 7.136 1.384 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.555 6.743 0.942 1.00 0.61 H new ATOM 1228 N ALA A 79 14.813 3.702 -0.375 1.00 0.37 N ATOM 1229 CA ALA A 79 14.687 2.362 0.140 1.00 0.34 C ATOM 1230 C ALA A 79 16.023 1.890 0.697 1.00 0.38 C ATOM 1231 O ALA A 79 16.986 1.738 -0.041 1.00 0.40 O ATOM 1232 CB ALA A 79 14.215 1.423 -0.955 1.00 0.34 C ATOM 0 H ALA A 79 14.815 3.755 -1.394 1.00 0.37 H new ATOM 0 HA ALA A 79 13.950 2.361 0.943 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.123 0.414 -0.554 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.246 1.755 -1.326 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.937 1.425 -1.772 1.00 0.34 H new ATOM 1238 N GLN A 80 16.081 1.718 2.005 1.00 0.47 N ATOM 1239 CA GLN A 80 17.222 1.092 2.664 1.00 0.55 C ATOM 1240 C GLN A 80 17.468 -0.302 2.076 1.00 0.43 C ATOM 1241 O GLN A 80 16.520 -0.975 1.691 1.00 0.43 O ATOM 1242 CB GLN A 80 16.901 1.001 4.165 1.00 0.74 C ATOM 1243 CG GLN A 80 17.756 0.012 4.937 1.00 0.78 C ATOM 1244 CD GLN A 80 18.943 0.649 5.642 1.00 1.06 C ATOM 1245 OE1 GLN A 80 19.392 0.160 6.672 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.450 1.747 5.102 1.00 1.43 N ATOM 0 H GLN A 80 15.340 2.007 2.644 1.00 0.47 H new ATOM 0 HA GLN A 80 18.127 1.680 2.511 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.022 1.989 4.609 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.853 0.724 4.283 1.00 0.74 H new ATOM 0 HG2 GLN A 80 17.134 -0.493 5.676 1.00 0.78 H new ATOM 0 HG3 GLN A 80 18.120 -0.753 4.251 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.049 2.125 4.243 1.00 1.43 H new ATOM 0 HE22 GLN A 80 20.241 2.215 5.545 1.00 1.43 H new ATOM 1255 N PRO A 81 18.737 -0.763 1.993 1.00 0.42 N ATOM 1256 CA PRO A 81 19.064 -2.094 1.447 1.00 0.44 C ATOM 1257 C PRO A 81 18.429 -3.235 2.248 1.00 0.54 C ATOM 1258 O PRO A 81 18.385 -4.378 1.800 1.00 1.33 O ATOM 1259 CB PRO A 81 20.593 -2.166 1.543 1.00 0.50 C ATOM 1260 CG PRO A 81 20.971 -1.124 2.538 1.00 0.57 C ATOM 1261 CD PRO A 81 19.950 -0.034 2.395 1.00 0.49 C ATOM 0 HA PRO A 81 18.681 -2.211 0.433 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.921 -3.155 1.864 1.00 0.50 H new ATOM 0 HB3 PRO A 81 21.058 -1.974 0.576 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.970 -1.530 3.549 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.976 -0.747 2.347 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.804 0.507 3.330 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.246 0.700 1.645 1.00 0.49 H new ATOM 1269 N ALA A 82 17.941 -2.910 3.436 1.00 0.81 N ATOM 1270 CA ALA A 82 17.225 -3.869 4.261 1.00 0.88 C ATOM 1271 C ALA A 82 15.723 -3.592 4.220 1.00 0.77 C ATOM 1272 O ALA A 82 14.969 -4.076 5.066 1.00 0.91 O ATOM 1273 CB ALA A 82 17.735 -3.815 5.696 1.00 1.12 C ATOM 0 H ALA A 82 18.029 -1.983 3.852 1.00 0.81 H new ATOM 0 HA ALA A 82 17.403 -4.869 3.865 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.190 -4.538 6.303 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.798 -4.054 5.713 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.582 -2.814 6.099 1.00 1.12 H new ATOM 1279 N PHE A 83 15.280 -2.822 3.228 1.00 0.64 N ATOM 1280 CA PHE A 83 13.884 -2.453 3.136 1.00 0.68 C ATOM 1281 C PHE A 83 13.135 -3.391 2.217 1.00 0.76 C ATOM 1282 O PHE A 83 11.907 -3.322 2.185 1.00 1.24 O ATOM 1283 CB PHE A 83 13.747 -1.015 2.639 1.00 0.74 C ATOM 1284 CG PHE A 83 13.454 0.001 3.711 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.609 -0.304 5.058 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.022 1.270 3.363 1.00 0.75 C ATOM 1287 CE1 PHE A 83 13.336 0.641 6.030 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.748 2.216 4.331 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.905 1.901 5.665 1.00 0.88 C ATOM 0 H PHE A 83 15.870 -2.447 2.485 1.00 0.64 H new ATOM 0 HA PHE A 83 13.449 -2.528 4.133 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.670 -0.732 2.133 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.951 -0.977 1.896 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.946 -1.288 5.348 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.898 1.523 2.320 1.00 0.75 H new ATOM 0 HE1 PHE A 83 13.460 0.394 7.074 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.411 3.201 4.044 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.691 2.640 6.423 1.00 0.88 H new ATOM 1299 N THR A 84 13.899 -4.228 1.474 1.00 0.55 N ATOM 1300 CA THR A 84 13.392 -5.244 0.563 1.00 0.58 C ATOM 1301 C THR A 84 11.954 -5.570 0.839 1.00 0.80 C ATOM 1302 O THR A 84 11.591 -6.394 1.673 1.00 1.22 O ATOM 1303 CB THR A 84 14.260 -6.497 0.599 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.614 -6.133 0.310 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.778 -7.532 -0.413 1.00 1.17 C ATOM 0 H THR A 84 14.918 -4.201 1.505 1.00 0.55 H new ATOM 0 HA THR A 84 13.442 -4.831 -0.445 1.00 0.58 H new ATOM 0 HB THR A 84 14.192 -6.941 1.592 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.180 -6.933 0.333 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.417 -8.414 -0.364 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.751 -7.815 -0.183 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.822 -7.108 -1.416 1.00 1.17 H new ATOM 1313 N GLY A 85 11.174 -4.814 0.141 1.00 0.87 N ATOM 1314 CA GLY A 85 9.790 -4.703 0.352 1.00 1.43 C ATOM 1315 C GLY A 85 9.047 -5.976 0.280 1.00 0.96 C ATOM 1316 O GLY A 85 9.111 -6.715 -0.678 1.00 1.29 O ATOM 0 H GLY A 85 11.512 -4.233 -0.626 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.621 -4.255 1.331 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.378 -4.016 -0.388 1.00 1.43 H new ATOM 1320 N GLY A 86 8.434 -6.241 1.364 1.00 0.52 N ATOM 1321 CA GLY A 86 7.253 -7.022 1.366 1.00 0.52 C ATOM 1322 C GLY A 86 6.109 -6.161 1.840 1.00 0.40 C ATOM 1323 O GLY A 86 5.680 -6.241 2.980 1.00 0.43 O ATOM 0 H GLY A 86 8.735 -5.923 2.285 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.050 -7.404 0.365 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.372 -7.887 2.019 1.00 0.52 H new ATOM 1327 N TYR A 87 5.711 -5.255 0.978 1.00 0.34 N ATOM 1328 CA TYR A 87 4.578 -4.381 1.228 1.00 0.28 C ATOM 1329 C TYR A 87 3.288 -5.173 1.005 1.00 0.30 C ATOM 1330 O TYR A 87 3.051 -5.673 -0.098 1.00 0.39 O ATOM 1331 CB TYR A 87 4.625 -3.192 0.268 1.00 0.35 C ATOM 1332 CG TYR A 87 5.848 -2.327 0.429 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.080 -2.719 -0.078 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.767 -1.116 1.092 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.196 -1.924 0.079 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.877 -0.318 1.248 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.088 -0.725 0.744 1.00 0.54 C ATOM 1338 OH TYR A 87 9.199 0.066 0.920 1.00 0.63 O ATOM 0 H TYR A 87 6.163 -5.099 0.077 1.00 0.34 H new ATOM 0 HA TYR A 87 4.613 -4.011 2.253 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.586 -3.563 -0.756 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.736 -2.580 0.419 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.165 -3.659 -0.602 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.818 -0.792 1.493 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.149 -2.241 -0.318 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.796 0.626 1.766 1.00 0.54 H new ATOM 0 HH TYR A 87 9.199 0.783 0.252 1.00 0.63 H new ATOM 1348 N ARG A 88 2.474 -5.320 2.036 1.00 0.33 N ATOM 1349 CA ARG A 88 1.219 -6.047 1.917 1.00 0.36 C ATOM 1350 C ARG A 88 0.069 -5.090 2.122 1.00 0.36 C ATOM 1351 O ARG A 88 0.004 -4.399 3.132 1.00 0.60 O ATOM 1352 CB ARG A 88 1.131 -7.166 2.961 1.00 0.42 C ATOM 1353 CG ARG A 88 2.050 -8.346 2.707 1.00 1.09 C ATOM 1354 CD ARG A 88 2.087 -9.287 3.907 1.00 1.23 C ATOM 1355 NE ARG A 88 0.746 -9.640 4.388 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.466 -10.733 5.105 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.425 -11.603 5.407 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -0.778 -10.955 5.515 1.00 3.15 N ATOM 0 H ARG A 88 2.659 -4.946 2.967 1.00 0.33 H new ATOM 0 HA ARG A 88 1.171 -6.493 0.924 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.361 -6.748 3.941 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.103 -7.526 3.002 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.711 -8.890 1.825 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.056 -7.987 2.493 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.623 -10.196 3.635 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.647 -8.817 4.715 1.00 1.23 H new ATOM 0 HE ARG A 88 -0.023 -9.010 4.160 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.381 -11.438 5.091 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.205 -12.435 5.954 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.518 -10.292 5.283 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -0.994 -11.788 6.062 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.833 -5.036 1.175 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.988 -4.183 1.321 1.00 0.27 C ATOM 1374 C CYS A 89 -3.213 -5.041 1.449 1.00 0.25 C ATOM 1375 O CYS A 89 -3.554 -5.801 0.549 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.138 -3.237 0.151 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.997 -1.708 0.556 1.00 1.08 S ATOM 0 H CYS A 89 -0.793 -5.565 0.304 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.858 -3.574 2.216 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.149 -2.995 -0.237 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.678 -3.745 -0.648 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.163 -0.712 0.494 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.853 -4.927 2.575 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.972 -5.778 2.897 1.00 0.28 C ATOM 1385 C GLU A 90 -6.130 -4.944 3.416 1.00 0.26 C ATOM 1386 O GLU A 90 -6.109 -4.463 4.552 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.537 -6.821 3.931 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.466 -7.774 3.410 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.849 -8.639 4.491 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.380 -9.731 4.770 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -1.813 -8.234 5.063 1.00 1.81 O ATOM 0 H GLU A 90 -3.619 -4.246 3.297 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.308 -6.297 1.999 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.159 -6.310 4.816 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.407 -7.398 4.243 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.904 -8.417 2.647 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.680 -7.195 2.926 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.126 -4.750 2.568 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.299 -3.982 2.942 1.00 0.22 C ATOM 1400 C VAL A 91 -9.390 -4.904 3.452 1.00 0.22 C ATOM 1401 O VAL A 91 -9.589 -6.013 2.940 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.846 -3.119 1.776 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.986 -3.944 0.503 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.175 -2.467 2.155 1.00 0.51 C ATOM 0 H VAL A 91 -7.145 -5.114 1.616 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.989 -3.300 3.734 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.126 -2.324 1.581 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.372 -3.314 -0.298 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.011 -4.339 0.217 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.675 -4.770 0.679 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.537 -1.867 1.320 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.906 -3.241 2.390 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.031 -1.827 3.026 1.00 0.51 H new ATOM 1414 N SER A 92 -10.093 -4.428 4.454 1.00 0.22 N ATOM 1415 CA SER A 92 -11.163 -5.178 5.062 1.00 0.25 C ATOM 1416 C SER A 92 -12.348 -4.252 5.249 1.00 0.26 C ATOM 1417 O SER A 92 -12.320 -3.339 6.072 1.00 0.30 O ATOM 1418 CB SER A 92 -10.709 -5.762 6.405 1.00 0.32 C ATOM 1419 OG SER A 92 -11.700 -6.604 6.964 1.00 1.18 O ATOM 0 H SER A 92 -9.937 -3.509 4.869 1.00 0.22 H new ATOM 0 HA SER A 92 -11.448 -6.012 4.420 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.787 -6.326 6.265 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.485 -4.952 7.099 1.00 0.32 H new ATOM 0 HG SER A 92 -11.381 -6.962 7.818 1.00 1.18 H new ATOM 1425 N THR A 93 -13.367 -4.465 4.448 1.00 0.28 N ATOM 1426 CA THR A 93 -14.557 -3.650 4.495 1.00 0.35 C ATOM 1427 C THR A 93 -15.748 -4.546 4.511 1.00 0.39 C ATOM 1428 O THR A 93 -15.654 -5.628 3.967 1.00 0.59 O ATOM 1429 CB THR A 93 -14.659 -2.765 3.273 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.352 -2.430 2.821 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.422 -1.507 3.591 1.00 0.57 C ATOM 0 H THR A 93 -13.393 -5.206 3.748 1.00 0.28 H new ATOM 0 HA THR A 93 -14.512 -3.026 5.387 1.00 0.35 H new ATOM 0 HB THR A 93 -15.193 -3.306 2.492 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.748 -2.360 3.590 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.484 -0.884 2.699 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.427 -1.765 3.924 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.908 -0.959 4.381 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.848 -4.058 5.090 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.120 -4.788 5.225 1.00 0.43 C ATOM 1441 C LYS A 94 -17.973 -6.308 5.171 1.00 0.42 C ATOM 1442 O LYS A 94 -17.997 -6.991 6.191 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.162 -4.298 4.189 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.614 -3.721 2.874 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.200 -4.771 1.851 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.275 -5.827 1.609 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.615 -5.246 1.314 1.00 0.65 N ATOM 0 H LYS A 94 -16.884 -3.120 5.490 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.482 -4.558 6.227 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.818 -5.134 3.946 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.780 -3.535 4.663 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.373 -3.077 2.429 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.753 -3.091 3.098 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.965 -4.278 0.908 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.288 -5.261 2.191 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.970 -6.462 0.777 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.350 -6.468 2.488 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.317 -6.010 1.243 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.887 -4.595 2.078 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.578 -4.726 0.414 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.800 -6.802 3.969 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.715 -8.204 3.696 1.00 0.40 C ATOM 1463 C ASP A 95 -16.717 -8.451 2.577 1.00 0.37 C ATOM 1464 O ASP A 95 -16.422 -9.590 2.238 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.087 -8.708 3.296 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.235 -10.205 3.444 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.818 -10.754 4.478 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.783 -10.840 2.521 1.00 1.05 O ATOM 0 H ASP A 95 -17.713 -6.219 3.136 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.377 -8.736 4.585 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.842 -8.212 3.906 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.282 -8.430 2.260 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.175 -7.367 2.009 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.250 -7.496 0.921 1.00 0.29 C ATOM 1475 C LYS A 96 -13.877 -7.585 1.488 1.00 0.27 C ATOM 1476 O LYS A 96 -13.507 -6.853 2.409 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.272 -6.356 -0.122 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.411 -6.888 -1.528 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.117 -7.548 -1.973 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.295 -8.445 -3.178 1.00 1.00 C ATOM 1481 NZ LYS A 96 -14.042 -7.705 -4.433 1.00 1.29 N ATOM 0 H LYS A 96 -16.370 -6.407 2.295 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.557 -8.391 0.379 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.099 -5.680 0.095 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.355 -5.772 -0.043 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.228 -7.608 -1.572 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.665 -6.075 -2.208 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.384 -6.776 -2.207 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.712 -8.134 -1.148 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.614 -9.293 -3.108 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.307 -8.849 -3.188 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -13.970 -8.377 -5.224 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.825 -7.044 -4.610 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -13.153 -7.173 -4.349 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.154 -8.504 0.958 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.779 -8.676 1.320 1.00 0.29 C ATOM 1497 C PHE A 97 -10.919 -8.818 0.083 1.00 0.32 C ATOM 1498 O PHE A 97 -11.231 -9.584 -0.827 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.638 -9.873 2.237 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.326 -9.923 2.971 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.186 -9.311 4.207 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.235 -10.584 2.427 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.983 -9.358 4.886 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.030 -10.630 3.102 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.904 -10.018 4.334 1.00 0.74 C ATOM 0 H PHE A 97 -13.493 -9.164 0.258 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.434 -7.793 1.857 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.450 -9.860 2.964 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.750 -10.784 1.650 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.026 -8.792 4.644 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.328 -11.068 1.466 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.887 -8.878 5.849 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.186 -11.145 2.666 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.964 -10.056 4.864 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.853 -8.055 0.068 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.901 -8.051 -1.040 1.00 0.43 C ATOM 1517 C ASP A 98 -7.524 -7.717 -0.499 1.00 0.36 C ATOM 1518 O ASP A 98 -7.408 -6.998 0.498 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.291 -7.033 -2.126 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.334 -7.547 -3.115 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.073 -8.568 -3.785 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.405 -6.903 -3.261 1.00 1.60 O ATOM 0 H ASP A 98 -9.611 -7.413 0.823 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.904 -9.039 -1.500 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.674 -6.133 -1.645 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.396 -6.744 -2.676 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.485 -8.231 -1.137 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.133 -8.046 -0.630 1.00 0.30 C ATOM 1529 C CYS A 99 -4.089 -8.093 -1.741 1.00 0.32 C ATOM 1530 O CYS A 99 -4.306 -8.692 -2.799 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.826 -9.108 0.428 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.218 -10.795 -0.091 1.00 1.19 S ATOM 0 H CYS A 99 -6.549 -8.774 -1.998 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.082 -7.054 -0.181 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.768 -9.054 0.686 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.387 -8.877 1.334 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.923 -11.623 0.867 1.00 1.19 H new ATOM 1538 N SER A 100 -2.962 -7.440 -1.501 1.00 0.27 N ATOM 1539 CA SER A 100 -1.862 -7.414 -2.454 1.00 0.30 C ATOM 1540 C SER A 100 -0.546 -7.772 -1.810 1.00 0.31 C ATOM 1541 O SER A 100 -0.320 -7.537 -0.622 1.00 0.42 O ATOM 1542 CB SER A 100 -1.716 -6.060 -3.127 1.00 0.38 C ATOM 1543 OG SER A 100 -1.763 -5.006 -2.187 1.00 0.84 O ATOM 0 H SER A 100 -2.784 -6.915 -0.644 1.00 0.27 H new ATOM 0 HA SER A 100 -2.113 -8.163 -3.206 1.00 0.30 H new ATOM 0 HB2 SER A 100 -0.772 -6.023 -3.670 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.511 -5.930 -3.861 1.00 0.38 H new ATOM 0 HG SER A 100 -2.093 -4.193 -2.623 1.00 0.84 H new ATOM 1549 N ASN A 101 0.309 -8.346 -2.624 1.00 0.34 N ATOM 1550 CA ASN A 101 1.647 -8.719 -2.203 1.00 0.37 C ATOM 1551 C ASN A 101 2.656 -8.216 -3.224 1.00 0.42 C ATOM 1552 O ASN A 101 2.711 -8.697 -4.355 1.00 0.65 O ATOM 1553 CB ASN A 101 1.773 -10.243 -1.993 1.00 0.60 C ATOM 1554 CG ASN A 101 1.579 -11.099 -3.247 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.193 -12.156 -3.375 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.724 -10.676 -4.172 1.00 1.05 N ATOM 0 H ASN A 101 0.101 -8.569 -3.597 1.00 0.34 H new ATOM 0 HA ASN A 101 1.853 -8.253 -1.240 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.759 -10.455 -1.579 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.041 -10.551 -1.247 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.565 -11.232 -5.012 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.227 -9.795 -4.042 1.00 1.05 H new ATOM 1563 N PHE A 102 3.431 -7.216 -2.848 1.00 0.31 N ATOM 1564 CA PHE A 102 4.314 -6.577 -3.789 1.00 0.38 C ATOM 1565 C PHE A 102 5.608 -6.212 -3.104 1.00 0.30 C ATOM 1566 O PHE A 102 5.617 -5.625 -2.020 1.00 0.37 O ATOM 1567 CB PHE A 102 3.635 -5.364 -4.429 1.00 0.57 C ATOM 1568 CG PHE A 102 2.975 -4.421 -3.468 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.746 -4.727 -2.902 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.576 -3.221 -3.144 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.137 -3.851 -2.031 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.967 -2.341 -2.274 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.750 -2.658 -1.717 1.00 0.86 C ATOM 0 H PHE A 102 3.463 -6.835 -1.902 1.00 0.31 H new ATOM 0 HA PHE A 102 4.548 -7.270 -4.597 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.379 -4.811 -5.002 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.886 -5.719 -5.137 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.262 -5.661 -3.147 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.533 -2.969 -3.576 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.181 -4.099 -1.595 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.445 -1.404 -2.030 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.275 -1.971 -1.033 1.00 0.86 H new ATOM 1583 N ASN A 103 6.697 -6.598 -3.724 1.00 0.24 N ATOM 1584 CA ASN A 103 7.983 -6.478 -3.128 1.00 0.25 C ATOM 1585 C ASN A 103 8.745 -5.300 -3.668 1.00 0.28 C ATOM 1586 O ASN A 103 8.507 -4.798 -4.756 1.00 0.49 O ATOM 1587 CB ASN A 103 8.790 -7.750 -3.362 1.00 0.33 C ATOM 1588 CG ASN A 103 9.491 -7.817 -4.699 1.00 1.08 C ATOM 1589 OD1 ASN A 103 10.643 -7.395 -4.838 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.821 -8.356 -5.685 1.00 1.25 N ATOM 0 H ASN A 103 6.704 -7.004 -4.660 1.00 0.24 H new ATOM 0 HA ASN A 103 7.831 -6.323 -2.060 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.535 -7.842 -2.572 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.124 -8.608 -3.273 1.00 0.33 H new ATOM 0 HD21 ASN A 103 9.249 -8.439 -6.607 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.871 -8.693 -5.532 1.00 1.25 H new ATOM 1597 N LEU A 104 9.674 -4.893 -2.878 1.00 0.23 N ATOM 1598 CA LEU A 104 10.641 -3.890 -3.294 1.00 0.24 C ATOM 1599 C LEU A 104 12.046 -4.453 -3.178 1.00 0.25 C ATOM 1600 O LEU A 104 12.549 -4.664 -2.087 1.00 0.37 O ATOM 1601 CB LEU A 104 10.515 -2.584 -2.487 1.00 0.27 C ATOM 1602 CG LEU A 104 11.812 -1.838 -2.263 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.793 -0.535 -3.030 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.093 -1.610 -0.783 1.00 0.30 C ATOM 0 H LEU A 104 9.801 -5.233 -1.925 1.00 0.23 H new ATOM 0 HA LEU A 104 10.431 -3.640 -4.334 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.818 -1.923 -3.003 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.076 -2.816 -1.517 1.00 0.27 H new ATOM 0 HG LEU A 104 12.628 -2.455 -2.639 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.729 -0.002 -2.865 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.675 -0.741 -4.094 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.961 0.078 -2.685 1.00 0.28 H new ATOM 0 HD21 LEU A 104 13.034 -1.071 -0.670 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.285 -1.024 -0.345 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.162 -2.571 -0.273 1.00 0.30 H new ATOM 1616 N THR A 105 12.683 -4.703 -4.297 1.00 0.23 N ATOM 1617 CA THR A 105 14.029 -5.213 -4.269 1.00 0.24 C ATOM 1618 C THR A 105 14.998 -4.057 -4.300 1.00 0.21 C ATOM 1619 O THR A 105 15.283 -3.486 -5.357 1.00 0.22 O ATOM 1620 CB THR A 105 14.335 -6.157 -5.433 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.346 -7.192 -5.506 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.707 -6.783 -5.253 1.00 0.32 C ATOM 0 H THR A 105 12.294 -4.563 -5.229 1.00 0.23 H new ATOM 0 HA THR A 105 14.135 -5.790 -3.350 1.00 0.24 H new ATOM 0 HB THR A 105 14.320 -5.580 -6.358 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.516 -6.881 -5.088 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.914 -7.453 -6.088 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.463 -5.999 -5.221 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.730 -7.347 -4.321 1.00 0.32 H new ATOM 1630 N VAL A 106 15.466 -3.695 -3.132 1.00 0.23 N ATOM 1631 CA VAL A 106 16.410 -2.635 -2.992 1.00 0.23 C ATOM 1632 C VAL A 106 17.795 -3.157 -3.294 1.00 0.25 C ATOM 1633 O VAL A 106 18.336 -4.053 -2.642 1.00 0.28 O ATOM 1634 CB VAL A 106 16.372 -1.971 -1.604 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.526 -3.006 -0.512 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.425 -0.871 -1.522 1.00 0.33 C ATOM 0 H VAL A 106 15.196 -4.135 -2.252 1.00 0.23 H new ATOM 0 HA VAL A 106 16.138 -1.858 -3.706 1.00 0.23 H new ATOM 0 HB VAL A 106 15.400 -1.502 -1.454 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.496 -2.516 0.461 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.713 -3.729 -0.579 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.480 -3.520 -0.630 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.390 -0.407 -0.536 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.413 -1.300 -1.687 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.225 -0.118 -2.285 1.00 0.33 H new ATOM 1646 N HIS A 107 18.316 -2.602 -4.326 1.00 0.26 N ATOM 1647 CA HIS A 107 19.609 -2.956 -4.847 1.00 0.31 C ATOM 1648 C HIS A 107 20.657 -2.115 -4.170 1.00 0.34 C ATOM 1649 O HIS A 107 20.827 -0.939 -4.473 1.00 0.36 O ATOM 1650 CB HIS A 107 19.657 -2.751 -6.365 1.00 0.36 C ATOM 1651 CG HIS A 107 18.655 -3.574 -7.118 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.865 -4.892 -7.440 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.424 -3.267 -7.599 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.813 -5.365 -8.075 1.00 1.10 C ATOM 1655 NE2 HIS A 107 16.922 -4.403 -8.186 1.00 0.53 N ATOM 0 H HIS A 107 17.850 -1.865 -4.856 1.00 0.26 H new ATOM 0 HA HIS A 107 19.801 -4.010 -4.647 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.487 -1.697 -6.586 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.657 -2.995 -6.724 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.707 -5.424 -7.221 1.00 1.19 H new ATOM 0 HD2 HIS A 107 16.931 -2.308 -7.533 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.700 -6.374 -8.443 1.00 1.10 H new ATOM 1664 N GLU A 108 21.300 -2.716 -3.207 1.00 0.45 N ATOM 1665 CA GLU A 108 22.430 -2.094 -2.535 1.00 0.56 C ATOM 1666 C GLU A 108 23.554 -1.845 -3.536 1.00 0.71 C ATOM 1667 O GLU A 108 23.903 -0.702 -3.831 1.00 1.33 O ATOM 1668 CB GLU A 108 22.933 -2.977 -1.392 1.00 0.71 C ATOM 1669 CG GLU A 108 23.946 -2.279 -0.502 1.00 0.87 C ATOM 1670 CD GLU A 108 24.611 -3.214 0.483 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.902 -3.815 1.315 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.853 -3.334 0.435 1.00 1.67 O ATOM 0 H GLU A 108 21.065 -3.646 -2.860 1.00 0.45 H new ATOM 0 HA GLU A 108 22.104 -1.142 -2.116 1.00 0.56 H new ATOM 0 HB2 GLU A 108 22.085 -3.295 -0.786 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.384 -3.878 -1.808 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.710 -1.814 -1.125 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.449 -1.477 0.045 1.00 0.87 H new ATOM 1679 N ALA A 109 24.100 -2.925 -4.076 1.00 1.29 N ATOM 1680 CA ALA A 109 25.141 -2.830 -5.085 1.00 1.54 C ATOM 1681 C ALA A 109 24.642 -3.399 -6.403 1.00 2.12 C ATOM 1682 O ALA A 109 24.709 -2.742 -7.442 1.00 2.78 O ATOM 1683 CB ALA A 109 26.397 -3.557 -4.627 1.00 2.44 C ATOM 0 H ALA A 109 23.837 -3.879 -3.830 1.00 1.29 H new ATOM 0 HA ALA A 109 25.392 -1.780 -5.232 1.00 1.54 H new ATOM 0 HB1 ALA A 109 27.166 -3.475 -5.396 1.00 2.44 H new ATOM 0 HB2 ALA A 109 26.760 -3.109 -3.702 1.00 2.44 H new ATOM 0 HB3 ALA A 109 26.167 -4.608 -4.455 1.00 2.44 H new ATOM 1689 N MET A 110 24.119 -4.613 -6.346 1.00 2.77 N ATOM 1690 CA MET A 110 23.568 -5.277 -7.515 1.00 3.92 C ATOM 1691 C MET A 110 22.159 -5.759 -7.212 1.00 4.80 C ATOM 1692 O MET A 110 21.268 -5.584 -8.062 1.00 5.41 O ATOM 1693 CB MET A 110 24.446 -6.458 -7.936 1.00 4.52 C ATOM 1694 CG MET A 110 23.929 -7.187 -9.168 1.00 5.33 C ATOM 1695 SD MET A 110 25.014 -8.530 -9.697 1.00 6.12 S ATOM 1696 CE MET A 110 24.122 -9.151 -11.124 1.00 6.92 C ATOM 1697 OXT MET A 110 21.943 -6.283 -6.099 1.00 5.23 O ATOM 0 H MET A 110 24.065 -5.165 -5.490 1.00 2.77 H new ATOM 0 HA MET A 110 23.539 -4.563 -8.338 1.00 3.92 H new ATOM 0 HB2 MET A 110 25.456 -6.098 -8.133 1.00 4.52 H new ATOM 0 HB3 MET A 110 24.515 -7.163 -7.108 1.00 4.52 H new ATOM 0 HG2 MET A 110 22.938 -7.589 -8.957 1.00 5.33 H new ATOM 0 HG3 MET A 110 23.816 -6.474 -9.985 1.00 5.33 H new ATOM 0 HE1 MET A 110 24.670 -9.986 -11.560 1.00 6.92 H new ATOM 0 HE2 MET A 110 23.132 -9.488 -10.816 1.00 6.92 H new ATOM 0 HE3 MET A 110 24.021 -8.357 -11.864 1.00 6.92 H new TER 1707 MET A 110