USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1047 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 75 THR OG1 : rot 123:sc= -0.488! USER MOD Set 1.2: A 77 CYS SG : rot 42:sc= 1.59 USER MOD Set 2.1: A 58 ASN : amide:sc= -5.64! C(o=-4.8!,f=-11!) USER MOD Set 2.2: A 61 ASN : amide:sc= 0.862 K(o=-4.8,f=-11) USER MOD Set 3.1: A 46 ASN : amide:sc= 0.463! K(o=0.83!,f=-2.6) USER MOD Set 3.2: A 49 LYS NZ :NH3+ -110:sc= 0.372 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0194) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 60:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.88) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 138:sc= -0.938 (180deg=-3.17!) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.107 (180deg=-0.649) USER MOD Single : A 44 TYR OH : rot 175:sc= -0.354 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 78:sc= 1.79 USER MOD Single : A 53 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.101 USER MOD Single : A 64 TYR OH : rot 31:sc= 1.22 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0523 USER MOD Single : A 67 ASN : amide:sc= -0.951 K(o=-0.95,f=-1.7) USER MOD Single : A 69 SER OG : rot -80:sc= 0.348 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 36:sc= 1.26 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 69:sc= 1.85 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0361) USER MOD Single : A 95 TYR OH : rot 30:sc=-0.00249 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= -0.0454 (180deg=-0.299) USER MOD Single : A 99 TYR OH : rot 31:sc= 1.25 USER MOD Single : A 100 TYR OH : rot 89:sc= -1.11 USER MOD Single : A 105 SER OG : rot -50:sc= -0.345 USER MOD Single : A 106 ASN : amide:sc= 0.822 K(o=0.82,f=-1.6!) USER MOD Single : A 107 MET CE :methyl -127:sc= -0.0821 (180deg=-0.48) USER MOD Single : A 111 LYS NZ :NH3+ 169:sc= -0.0265 (180deg=-0.197) USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 121 THR OG1 : rot 63:sc= 1.29 USER MOD Single : A 124 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.16) USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.683) USER MOD Single : A 128 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0001) USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= -0.209 (180deg=-1.01) USER MOD Single : A 133 LYS NZ :NH3+ -112:sc= 0.267 (180deg=-0.134) USER MOD Single : A 134 MET CE :methyl -159:sc= -0.159 (180deg=-0.723) USER MOD Single : A 135 LYS NZ :NH3+ -139:sc= 0.891 (180deg=0.00325) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.781 X(o=-0.78,f=-0.55) USER MOD Single : A 139 CYS SG : rot 90:sc= -0.127 USER MOD Single : A 140 ASN : amide:sc= -0.0831 K(o=-0.083,f=-1.1) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.98) USER MOD Single : A 146 LYS NZ :NH3+ -143:sc= -2.68! (180deg=-4.89!) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.305 -14.383 6.264 1.00 0.78 N ATOM 28 CA PRO A 19 -17.228 -13.217 5.408 1.00 0.70 C ATOM 29 C PRO A 19 -18.621 -12.723 5.085 1.00 0.65 C ATOM 30 O PRO A 19 -19.508 -13.527 4.784 1.00 0.70 O ATOM 31 CB PRO A 19 -16.559 -13.716 4.122 1.00 0.71 C ATOM 32 CG PRO A 19 -16.402 -15.196 4.287 1.00 0.75 C ATOM 33 CD PRO A 19 -16.465 -15.476 5.763 1.00 0.84 C ATOM 0 HA PRO A 19 -16.681 -12.399 5.877 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.169 -13.483 3.249 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.592 -13.235 3.973 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.191 -15.730 3.758 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.453 -15.533 3.869 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -16.904 -16.452 5.971 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.475 -15.467 6.219 1.00 0.84 H new ATOM 41 N PRO A 20 -18.848 -11.414 5.177 1.00 0.58 N ATOM 42 CA PRO A 20 -20.107 -10.826 4.762 1.00 0.54 C ATOM 43 C PRO A 20 -20.450 -11.276 3.359 1.00 0.55 C ATOM 44 O PRO A 20 -19.578 -11.689 2.593 1.00 0.58 O ATOM 45 CB PRO A 20 -19.843 -9.326 4.809 1.00 0.49 C ATOM 46 CG PRO A 20 -18.748 -9.177 5.810 1.00 0.50 C ATOM 47 CD PRO A 20 -17.904 -10.416 5.687 1.00 0.56 C ATOM 0 HA PRO A 20 -20.948 -11.116 5.392 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.545 -8.944 3.833 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.734 -8.774 5.109 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -18.158 -8.282 5.613 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -19.151 -9.078 6.818 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.067 -10.267 5.004 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.483 -10.714 6.647 1.00 0.56 H new ATOM 55 N ALA A 21 -21.707 -11.230 3.029 1.00 0.56 N ATOM 56 CA ALA A 21 -22.163 -11.797 1.789 1.00 0.63 C ATOM 57 C ALA A 21 -21.779 -10.935 0.585 1.00 0.60 C ATOM 58 O ALA A 21 -21.152 -9.889 0.728 1.00 0.60 O ATOM 59 CB ALA A 21 -23.663 -12.013 1.862 1.00 0.72 C ATOM 0 H ALA A 21 -22.438 -10.806 3.600 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.668 -12.757 1.644 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.015 -12.443 0.924 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.893 -12.693 2.682 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.160 -11.058 2.032 1.00 0.72 H new ATOM 65 N ASP A 22 -22.196 -11.415 -0.573 1.00 0.64 N ATOM 66 CA ASP A 22 -22.045 -10.760 -1.880 1.00 0.70 C ATOM 67 C ASP A 22 -22.259 -9.251 -1.794 1.00 0.67 C ATOM 68 O ASP A 22 -21.302 -8.543 -1.546 1.00 1.01 O ATOM 69 CB ASP A 22 -22.979 -11.395 -2.919 1.00 1.01 C ATOM 70 CG ASP A 22 -22.889 -10.736 -4.285 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.822 -10.820 -4.927 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.893 -10.126 -4.719 1.00 2.34 O ATOM 0 H ASP A 22 -22.673 -12.314 -0.641 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.016 -10.916 -2.205 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -22.738 -12.453 -3.017 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -24.006 -11.334 -2.560 1.00 1.01 H new ATOM 77 N GLY A 23 -23.445 -8.769 -2.182 1.00 0.72 N ATOM 78 CA GLY A 23 -23.774 -7.338 -2.125 1.00 0.69 C ATOM 79 C GLY A 23 -22.947 -6.521 -1.132 1.00 0.61 C ATOM 80 O GLY A 23 -22.406 -5.483 -1.500 1.00 0.60 O ATOM 0 H GLY A 23 -24.199 -9.354 -2.542 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.644 -6.911 -3.120 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.828 -7.233 -1.869 1.00 0.69 H new ATOM 84 N ALA A 24 -22.839 -6.988 0.110 1.00 0.59 N ATOM 85 CA ALA A 24 -21.990 -6.335 1.110 1.00 0.55 C ATOM 86 C ALA A 24 -20.529 -6.268 0.648 1.00 0.48 C ATOM 87 O ALA A 24 -19.936 -5.191 0.569 1.00 0.44 O ATOM 88 CB ALA A 24 -22.080 -7.073 2.440 1.00 0.56 C ATOM 0 H ALA A 24 -23.328 -7.816 0.450 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.352 -5.315 1.238 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.445 -6.578 3.174 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.112 -7.067 2.790 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.748 -8.103 2.308 1.00 0.56 H new ATOM 94 N LEU A 25 -19.967 -7.430 0.345 1.00 0.49 N ATOM 95 CA LEU A 25 -18.581 -7.552 -0.105 1.00 0.48 C ATOM 96 C LEU A 25 -18.323 -6.783 -1.391 1.00 0.51 C ATOM 97 O LEU A 25 -17.342 -6.047 -1.499 1.00 0.53 O ATOM 98 CB LEU A 25 -18.222 -9.026 -0.317 1.00 0.47 C ATOM 99 CG LEU A 25 -18.015 -9.836 0.958 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.870 -10.819 0.787 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.760 -8.919 2.136 1.00 0.49 C ATOM 0 H LEU A 25 -20.460 -8.321 0.404 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.954 -7.122 0.676 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.013 -9.495 -0.901 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.311 -9.079 -0.913 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.925 -10.402 1.156 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.738 -11.388 1.708 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.096 -11.502 -0.032 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.953 -10.274 0.563 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.615 -9.516 3.037 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.867 -8.324 1.947 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.615 -8.257 2.273 1.00 0.49 H new ATOM 113 N LYS A 26 -19.203 -6.954 -2.365 1.00 0.55 N ATOM 114 CA LYS A 26 -19.038 -6.294 -3.650 1.00 0.59 C ATOM 115 C LYS A 26 -19.202 -4.790 -3.481 1.00 0.52 C ATOM 116 O LYS A 26 -18.678 -4.009 -4.266 1.00 0.53 O ATOM 117 CB LYS A 26 -20.056 -6.815 -4.664 1.00 0.68 C ATOM 118 CG LYS A 26 -21.259 -5.905 -4.807 1.00 0.73 C ATOM 119 CD LYS A 26 -22.469 -6.653 -5.323 1.00 0.82 C ATOM 120 CE LYS A 26 -23.696 -5.758 -5.375 1.00 0.93 C ATOM 121 NZ LYS A 26 -23.578 -4.699 -6.410 1.00 1.53 N ATOM 0 H LYS A 26 -20.034 -7.541 -2.291 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.037 -6.512 -4.024 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.572 -6.925 -5.634 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.390 -7.807 -4.360 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.493 -5.457 -3.841 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.019 -5.088 -5.488 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.259 -7.043 -6.319 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.670 -7.510 -4.680 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.578 -6.366 -5.579 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.847 -5.295 -4.400 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -24.470 -4.168 -6.466 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -22.805 -4.051 -6.157 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -23.376 -5.136 -7.332 1.00 1.53 H new ATOM 135 N ARG A 27 -19.952 -4.386 -2.459 1.00 0.49 N ATOM 136 CA ARG A 27 -20.135 -2.977 -2.178 1.00 0.45 C ATOM 137 C ARG A 27 -18.855 -2.403 -1.615 1.00 0.39 C ATOM 138 O ARG A 27 -18.527 -1.244 -1.853 1.00 0.37 O ATOM 139 CB ARG A 27 -21.285 -2.746 -1.200 1.00 0.49 C ATOM 140 CG ARG A 27 -21.535 -1.279 -0.887 1.00 0.45 C ATOM 141 CD ARG A 27 -21.688 -0.471 -2.155 1.00 0.51 C ATOM 142 NE ARG A 27 -22.254 0.852 -1.909 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.633 1.692 -2.870 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.551 1.330 -4.145 1.00 1.01 N ATOM 145 NH2 ARG A 27 -23.114 2.886 -2.552 1.00 2.11 N ATOM 0 H ARG A 27 -20.437 -5.015 -1.819 1.00 0.49 H new ATOM 0 HA ARG A 27 -20.386 -2.473 -3.111 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -22.195 -3.180 -1.614 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.073 -3.276 -0.271 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -22.435 -1.182 -0.279 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.708 -0.884 -0.298 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.714 -0.363 -2.633 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -22.327 -1.012 -2.852 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.366 1.152 -0.940 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -22.197 0.406 -4.391 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.842 1.976 -4.878 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -23.193 3.160 -1.573 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -23.405 3.531 -3.287 1.00 2.11 H new ATOM 159 N ALA A 28 -18.132 -3.217 -0.869 1.00 0.39 N ATOM 160 CA ALA A 28 -16.828 -2.817 -0.395 1.00 0.37 C ATOM 161 C ALA A 28 -15.934 -2.566 -1.602 1.00 0.37 C ATOM 162 O ALA A 28 -15.199 -1.579 -1.666 1.00 0.36 O ATOM 163 CB ALA A 28 -16.242 -3.877 0.535 1.00 0.42 C ATOM 0 H ALA A 28 -18.425 -4.151 -0.582 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.905 -1.899 0.188 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.260 -3.555 0.880 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.901 -4.013 1.392 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.146 -4.820 -0.003 1.00 0.42 H new ATOM 169 N GLU A 29 -16.050 -3.460 -2.575 1.00 0.43 N ATOM 170 CA GLU A 29 -15.420 -3.288 -3.878 1.00 0.47 C ATOM 171 C GLU A 29 -15.915 -2.026 -4.581 1.00 0.45 C ATOM 172 O GLU A 29 -15.152 -1.342 -5.261 1.00 0.48 O ATOM 173 CB GLU A 29 -15.711 -4.510 -4.737 1.00 0.55 C ATOM 174 CG GLU A 29 -14.706 -5.629 -4.543 1.00 0.84 C ATOM 175 CD GLU A 29 -13.307 -5.234 -4.962 1.00 1.52 C ATOM 176 OE1 GLU A 29 -13.037 -5.195 -6.182 1.00 1.83 O ATOM 177 OE2 GLU A 29 -12.472 -4.974 -4.071 1.00 2.41 O ATOM 0 H GLU A 29 -16.583 -4.325 -2.484 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.345 -3.181 -3.730 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.709 -4.882 -4.503 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.719 -4.215 -5.786 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.697 -5.926 -3.494 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -15.021 -6.499 -5.118 1.00 0.84 H new ATOM 184 N GLU A 30 -17.191 -1.715 -4.402 1.00 0.43 N ATOM 185 CA GLU A 30 -17.795 -0.547 -5.024 1.00 0.44 C ATOM 186 C GLU A 30 -17.252 0.720 -4.422 1.00 0.41 C ATOM 187 O GLU A 30 -17.098 1.714 -5.107 1.00 0.48 O ATOM 188 CB GLU A 30 -19.305 -0.567 -4.857 1.00 0.47 C ATOM 189 CG GLU A 30 -19.976 -1.577 -5.737 1.00 0.64 C ATOM 190 CD GLU A 30 -19.868 -1.226 -7.206 1.00 1.23 C ATOM 191 OE1 GLU A 30 -20.518 -0.248 -7.629 1.00 1.52 O ATOM 192 OE2 GLU A 30 -19.138 -1.918 -7.939 1.00 1.72 O ATOM 0 H GLU A 30 -17.832 -2.261 -3.826 1.00 0.43 H new ATOM 0 HA GLU A 30 -17.549 -0.577 -6.085 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -19.547 -0.781 -3.816 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.703 0.423 -5.080 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.530 -2.557 -5.567 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -21.028 -1.654 -5.461 1.00 0.64 H new ATOM 199 N LEU A 31 -16.974 0.679 -3.138 1.00 0.36 N ATOM 200 CA LEU A 31 -16.424 1.825 -2.452 1.00 0.36 C ATOM 201 C LEU A 31 -14.947 1.959 -2.772 1.00 0.37 C ATOM 202 O LEU A 31 -14.404 3.057 -2.767 1.00 0.41 O ATOM 203 CB LEU A 31 -16.669 1.699 -0.957 1.00 0.35 C ATOM 204 CG LEU A 31 -18.144 1.590 -0.578 1.00 0.37 C ATOM 205 CD1 LEU A 31 -18.284 1.156 0.866 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.870 2.905 -0.790 1.00 0.42 C ATOM 0 H LEU A 31 -17.121 -0.139 -2.547 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.921 2.733 -2.795 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -16.143 0.820 -0.586 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -16.238 2.565 -0.454 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.598 0.842 -1.228 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -19.341 1.082 1.123 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.809 0.184 1.002 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.803 1.889 1.514 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.917 2.792 -0.510 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -18.411 3.677 -0.173 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.804 3.192 -1.839 1.00 0.42 H new ATOM 218 N LYS A 32 -14.306 0.838 -3.082 1.00 0.37 N ATOM 219 CA LYS A 32 -12.956 0.860 -3.602 1.00 0.41 C ATOM 220 C LYS A 32 -12.977 1.470 -4.999 1.00 0.43 C ATOM 221 O LYS A 32 -12.088 2.231 -5.381 1.00 0.47 O ATOM 222 CB LYS A 32 -12.389 -0.561 -3.645 1.00 0.44 C ATOM 223 CG LYS A 32 -11.025 -0.646 -4.297 1.00 0.76 C ATOM 224 CD LYS A 32 -10.610 -2.081 -4.554 1.00 0.70 C ATOM 225 CE LYS A 32 -9.966 -2.186 -5.921 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.659 -2.899 -5.894 1.00 1.15 N ATOM 0 H LYS A 32 -14.705 -0.095 -2.980 1.00 0.37 H new ATOM 0 HA LYS A 32 -12.318 1.462 -2.954 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.322 -0.948 -2.628 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -13.083 -1.205 -4.186 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -11.038 -0.098 -5.239 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -10.286 -0.163 -3.657 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.911 -2.411 -3.785 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -11.479 -2.737 -4.499 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.644 -2.707 -6.597 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.819 -1.185 -6.326 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.266 -2.940 -6.856 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.999 -2.390 -5.272 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.798 -3.865 -5.535 1.00 1.15 H new ATOM 240 N THR A 33 -14.030 1.145 -5.738 1.00 0.43 N ATOM 241 CA THR A 33 -14.247 1.675 -7.073 1.00 0.47 C ATOM 242 C THR A 33 -14.548 3.170 -7.000 1.00 0.47 C ATOM 243 O THR A 33 -13.950 3.975 -7.718 1.00 0.52 O ATOM 244 CB THR A 33 -15.414 0.935 -7.759 1.00 0.49 C ATOM 245 OG1 THR A 33 -15.125 -0.467 -7.830 1.00 0.50 O ATOM 246 CG2 THR A 33 -15.671 1.471 -9.157 1.00 0.57 C ATOM 0 H THR A 33 -14.759 0.504 -5.425 1.00 0.43 H new ATOM 0 HA THR A 33 -13.342 1.523 -7.661 1.00 0.47 H new ATOM 0 HB THR A 33 -16.311 1.101 -7.162 1.00 0.49 H new ATOM 0 HG1 THR A 33 -15.008 -0.823 -6.925 1.00 0.50 H new ATOM 0 HG21 THR A 33 -16.500 0.926 -9.609 1.00 0.57 H new ATOM 0 HG22 THR A 33 -15.922 2.530 -9.100 1.00 0.57 H new ATOM 0 HG23 THR A 33 -14.776 1.342 -9.766 1.00 0.57 H new ATOM 254 N GLN A 34 -15.482 3.528 -6.129 1.00 0.44 N ATOM 255 CA GLN A 34 -15.790 4.933 -5.858 1.00 0.46 C ATOM 256 C GLN A 34 -14.551 5.705 -5.438 1.00 0.46 C ATOM 257 O GLN A 34 -14.273 6.782 -5.957 1.00 0.51 O ATOM 258 CB GLN A 34 -16.840 5.046 -4.762 1.00 0.48 C ATOM 259 CG GLN A 34 -18.182 4.513 -5.188 1.00 0.50 C ATOM 260 CD GLN A 34 -19.236 4.609 -4.108 1.00 0.75 C ATOM 261 OE1 GLN A 34 -19.199 5.496 -3.261 1.00 1.50 O ATOM 262 NE2 GLN A 34 -20.188 3.691 -4.138 1.00 1.31 N ATOM 0 H GLN A 34 -16.043 2.865 -5.594 1.00 0.44 H new ATOM 0 HA GLN A 34 -16.173 5.363 -6.783 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.500 4.502 -3.881 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.944 6.091 -4.470 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -18.521 5.063 -6.066 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -18.073 3.471 -5.487 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -20.180 2.971 -4.861 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.930 3.703 -3.438 1.00 1.31 H new ATOM 271 N ALA A 35 -13.806 5.148 -4.500 1.00 0.43 N ATOM 272 CA ALA A 35 -12.615 5.801 -3.997 1.00 0.44 C ATOM 273 C ALA A 35 -11.532 5.868 -5.066 1.00 0.48 C ATOM 274 O ALA A 35 -10.656 6.717 -5.003 1.00 0.50 O ATOM 275 CB ALA A 35 -12.112 5.094 -2.762 1.00 0.42 C ATOM 0 H ALA A 35 -14.007 4.244 -4.072 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.875 6.825 -3.727 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -11.217 5.596 -2.395 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.882 5.116 -1.991 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.873 4.059 -3.007 1.00 0.42 H new ATOM 281 N ASN A 36 -11.599 4.971 -6.043 1.00 0.53 N ATOM 282 CA ASN A 36 -10.720 5.040 -7.208 1.00 0.61 C ATOM 283 C ASN A 36 -11.037 6.297 -8.009 1.00 0.63 C ATOM 284 O ASN A 36 -10.141 6.969 -8.519 1.00 0.67 O ATOM 285 CB ASN A 36 -10.890 3.796 -8.090 1.00 0.69 C ATOM 286 CG ASN A 36 -10.079 3.857 -9.378 1.00 1.28 C ATOM 287 OD1 ASN A 36 -9.006 4.456 -9.432 1.00 1.88 O ATOM 288 ND2 ASN A 36 -10.597 3.246 -10.431 1.00 2.01 N ATOM 0 H ASN A 36 -12.252 4.187 -6.053 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.685 5.077 -6.867 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -10.593 2.914 -7.523 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -11.945 3.676 -8.338 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -10.104 3.262 -11.324 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -11.489 2.759 -10.350 1.00 2.01 H new ATOM 295 N ASP A 37 -12.324 6.625 -8.081 1.00 0.63 N ATOM 296 CA ASP A 37 -12.782 7.817 -8.788 1.00 0.68 C ATOM 297 C ASP A 37 -12.286 9.061 -8.073 1.00 0.65 C ATOM 298 O ASP A 37 -11.897 10.040 -8.701 1.00 0.68 O ATOM 299 CB ASP A 37 -14.313 7.844 -8.878 1.00 0.73 C ATOM 300 CG ASP A 37 -14.815 8.990 -9.742 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.928 8.811 -10.974 1.00 1.05 O ATOM 302 OD2 ASP A 37 -15.097 10.078 -9.198 1.00 1.04 O ATOM 0 H ASP A 37 -13.072 6.078 -7.655 1.00 0.63 H new ATOM 0 HA ASP A 37 -12.378 7.794 -9.800 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.668 6.899 -9.288 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.733 7.935 -7.876 1.00 0.73 H new ATOM 307 N TYR A 38 -12.280 8.999 -6.753 1.00 0.60 N ATOM 308 CA TYR A 38 -11.794 10.101 -5.945 1.00 0.58 C ATOM 309 C TYR A 38 -10.268 10.144 -5.939 1.00 0.57 C ATOM 310 O TYR A 38 -9.674 11.219 -5.928 1.00 0.57 O ATOM 311 CB TYR A 38 -12.352 10.002 -4.527 1.00 0.54 C ATOM 312 CG TYR A 38 -13.815 10.386 -4.440 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.189 11.711 -4.251 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.820 9.434 -4.557 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.521 12.075 -4.177 1.00 0.63 C ATOM 316 CE2 TYR A 38 -16.155 9.791 -4.488 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.499 11.113 -4.297 1.00 0.65 C ATOM 318 OH TYR A 38 -17.826 11.474 -4.229 1.00 0.71 O ATOM 0 H TYR A 38 -12.607 8.195 -6.218 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.145 11.035 -6.385 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -12.227 8.982 -4.163 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.772 10.648 -3.868 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.426 12.470 -4.160 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.555 8.398 -4.704 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.793 13.109 -4.026 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.924 9.038 -4.583 1.00 0.67 H new ATOM 0 HH TYR A 38 -18.387 10.678 -4.333 1.00 0.71 H new ATOM 328 N PHE A 39 -9.636 8.977 -5.970 1.00 0.57 N ATOM 329 CA PHE A 39 -8.188 8.889 -6.060 1.00 0.57 C ATOM 330 C PHE A 39 -7.701 9.548 -7.341 1.00 0.63 C ATOM 331 O PHE A 39 -6.798 10.383 -7.314 1.00 0.67 O ATOM 332 CB PHE A 39 -7.740 7.425 -6.009 1.00 0.58 C ATOM 333 CG PHE A 39 -6.306 7.217 -6.403 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.281 7.456 -5.504 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.988 6.786 -7.679 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.965 7.270 -5.872 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.676 6.598 -8.052 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.660 6.840 -7.148 1.00 0.65 C ATOM 0 H PHE A 39 -10.109 8.074 -5.934 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.752 9.414 -5.210 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.889 7.044 -4.999 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.378 6.836 -6.669 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.514 7.792 -4.504 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.778 6.595 -8.390 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -3.173 7.461 -5.162 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -4.441 6.261 -9.051 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.630 6.693 -7.438 1.00 0.65 H new ATOM 348 N LYS A 40 -8.322 9.189 -8.457 1.00 0.66 N ATOM 349 CA LYS A 40 -7.969 9.763 -9.748 1.00 0.74 C ATOM 350 C LYS A 40 -8.439 11.214 -9.828 1.00 0.73 C ATOM 351 O LYS A 40 -7.972 11.987 -10.664 1.00 0.79 O ATOM 352 CB LYS A 40 -8.568 8.927 -10.886 1.00 0.82 C ATOM 353 CG LYS A 40 -10.085 8.985 -10.975 1.00 1.18 C ATOM 354 CD LYS A 40 -10.671 7.837 -11.799 1.00 1.09 C ATOM 355 CE LYS A 40 -10.355 7.942 -13.288 1.00 1.56 C ATOM 356 NZ LYS A 40 -8.929 7.657 -13.596 1.00 2.26 N ATOM 0 H LYS A 40 -9.074 8.501 -8.494 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.884 9.750 -9.854 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -8.147 9.268 -11.832 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.263 7.888 -10.757 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.505 8.957 -9.970 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.383 9.935 -11.419 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -10.285 6.891 -11.418 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -11.752 7.817 -11.664 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.987 7.245 -13.839 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.604 8.944 -13.638 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -8.870 7.068 -14.451 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -8.423 8.551 -13.756 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -8.495 7.152 -12.797 1.00 2.26 H new ATOM 370 N ALA A 41 -9.366 11.577 -8.946 1.00 0.68 N ATOM 371 CA ALA A 41 -9.805 12.957 -8.819 1.00 0.70 C ATOM 372 C ALA A 41 -8.832 13.744 -7.944 1.00 0.71 C ATOM 373 O ALA A 41 -8.884 14.969 -7.888 1.00 0.78 O ATOM 374 CB ALA A 41 -11.206 13.028 -8.232 1.00 0.68 C ATOM 0 H ALA A 41 -9.827 10.929 -8.308 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.825 13.399 -9.815 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.512 14.071 -8.147 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.901 12.498 -8.883 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.211 12.567 -7.245 1.00 0.68 H new ATOM 380 N LYS A 42 -7.956 13.002 -7.262 1.00 0.68 N ATOM 381 CA LYS A 42 -6.959 13.555 -6.341 1.00 0.70 C ATOM 382 C LYS A 42 -7.593 13.989 -5.024 1.00 0.66 C ATOM 383 O LYS A 42 -6.993 14.738 -4.251 1.00 0.70 O ATOM 384 CB LYS A 42 -6.153 14.708 -6.961 1.00 0.82 C ATOM 385 CG LYS A 42 -4.950 14.241 -7.772 1.00 0.96 C ATOM 386 CD LYS A 42 -5.345 13.712 -9.141 1.00 1.41 C ATOM 387 CE LYS A 42 -5.692 14.845 -10.094 1.00 1.57 C ATOM 388 NZ LYS A 42 -4.537 15.761 -10.305 1.00 2.30 N ATOM 0 H LYS A 42 -7.919 11.985 -7.335 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.257 12.747 -6.135 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.809 15.295 -7.604 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.810 15.370 -6.166 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -4.253 15.070 -7.893 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -4.425 13.461 -7.221 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.526 13.124 -9.556 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -6.200 13.043 -9.042 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -6.008 14.431 -11.052 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -6.536 15.409 -9.697 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -4.653 16.263 -11.208 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.495 16.451 -9.528 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -3.656 15.209 -10.326 1.00 2.30 H new ATOM 402 N ASP A 43 -8.792 13.491 -4.760 1.00 0.61 N ATOM 403 CA ASP A 43 -9.436 13.702 -3.472 1.00 0.58 C ATOM 404 C ASP A 43 -9.249 12.460 -2.619 1.00 0.52 C ATOM 405 O ASP A 43 -10.068 11.534 -2.641 1.00 0.54 O ATOM 406 CB ASP A 43 -10.926 14.004 -3.626 1.00 0.61 C ATOM 407 CG ASP A 43 -11.550 14.467 -2.322 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.724 13.636 -1.408 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.877 15.668 -2.211 1.00 0.73 O ATOM 0 H ASP A 43 -9.338 12.938 -5.420 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.974 14.566 -2.994 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.063 14.773 -4.387 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.442 13.111 -3.978 1.00 0.61 H new ATOM 414 N TYR A 44 -8.147 12.423 -1.897 1.00 0.48 N ATOM 415 CA TYR A 44 -7.778 11.245 -1.139 1.00 0.45 C ATOM 416 C TYR A 44 -8.537 11.161 0.171 1.00 0.44 C ATOM 417 O TYR A 44 -8.491 10.144 0.851 1.00 0.43 O ATOM 418 CB TYR A 44 -6.273 11.241 -0.900 1.00 0.45 C ATOM 419 CG TYR A 44 -5.485 11.449 -2.174 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.384 10.439 -3.122 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.851 12.658 -2.432 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.671 10.628 -4.289 1.00 0.57 C ATOM 423 CE2 TYR A 44 -4.139 12.853 -3.598 1.00 0.65 C ATOM 424 CZ TYR A 44 -4.052 11.836 -4.521 1.00 0.64 C ATOM 425 OH TYR A 44 -3.335 12.025 -5.678 1.00 0.75 O ATOM 0 H TYR A 44 -7.489 13.199 -1.819 1.00 0.48 H new ATOM 0 HA TYR A 44 -8.049 10.363 -1.720 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -6.019 12.026 -0.187 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.983 10.293 -0.447 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.871 9.491 -2.944 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.916 13.458 -1.709 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.599 9.833 -5.016 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.653 13.799 -3.785 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.030 12.955 -5.726 1.00 0.75 H new ATOM 435 N GLU A 45 -9.261 12.214 0.504 1.00 0.48 N ATOM 436 CA GLU A 45 -10.030 12.245 1.736 1.00 0.50 C ATOM 437 C GLU A 45 -11.274 11.426 1.598 1.00 0.46 C ATOM 438 O GLU A 45 -11.539 10.533 2.403 1.00 0.43 O ATOM 439 CB GLU A 45 -10.398 13.668 2.083 1.00 0.61 C ATOM 440 CG GLU A 45 -9.174 14.492 2.278 1.00 0.76 C ATOM 441 CD GLU A 45 -9.468 15.957 2.502 1.00 0.87 C ATOM 442 OE1 GLU A 45 -9.751 16.338 3.658 1.00 1.47 O ATOM 443 OE2 GLU A 45 -9.425 16.735 1.529 1.00 1.17 O ATOM 0 H GLU A 45 -9.333 13.060 -0.061 1.00 0.48 H new ATOM 0 HA GLU A 45 -9.417 11.826 2.534 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -11.008 14.096 1.288 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -11.001 13.682 2.991 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -8.617 14.106 3.132 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -8.531 14.387 1.404 1.00 0.76 H new ATOM 450 N ASN A 46 -12.043 11.723 0.572 1.00 0.48 N ATOM 451 CA ASN A 46 -13.239 10.978 0.342 1.00 0.48 C ATOM 452 C ASN A 46 -12.874 9.557 -0.055 1.00 0.43 C ATOM 453 O ASN A 46 -13.580 8.606 0.279 1.00 0.43 O ATOM 454 CB ASN A 46 -14.128 11.626 -0.723 1.00 0.53 C ATOM 455 CG ASN A 46 -14.811 12.892 -0.244 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.909 12.845 0.314 1.00 0.66 O ATOM 457 ND2 ASN A 46 -14.174 14.029 -0.459 1.00 0.63 N ATOM 0 H ASN A 46 -11.856 12.466 -0.101 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.817 10.966 1.266 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -13.523 11.857 -1.600 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.886 10.909 -1.039 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.590 14.911 -0.160 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -13.266 14.025 -0.924 1.00 0.63 H new ATOM 464 N ALA A 47 -11.751 9.421 -0.759 1.00 0.41 N ATOM 465 CA ALA A 47 -11.207 8.110 -1.082 1.00 0.38 C ATOM 466 C ALA A 47 -10.946 7.316 0.197 1.00 0.34 C ATOM 467 O ALA A 47 -11.418 6.188 0.343 1.00 0.32 O ATOM 468 CB ALA A 47 -9.931 8.252 -1.897 1.00 0.40 C ATOM 0 H ALA A 47 -11.203 10.204 -1.115 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.937 7.566 -1.682 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.536 7.263 -2.131 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -10.148 8.784 -2.823 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -9.192 8.811 -1.322 1.00 0.40 H new ATOM 474 N ILE A 48 -10.207 7.926 1.125 1.00 0.34 N ATOM 475 CA ILE A 48 -9.956 7.338 2.442 1.00 0.32 C ATOM 476 C ILE A 48 -11.265 6.933 3.116 1.00 0.29 C ATOM 477 O ILE A 48 -11.376 5.845 3.686 1.00 0.28 O ATOM 478 CB ILE A 48 -9.179 8.336 3.342 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.684 8.270 3.035 1.00 0.37 C ATOM 480 CG2 ILE A 48 -9.431 8.086 4.822 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.867 9.294 3.789 1.00 0.42 C ATOM 0 H ILE A 48 -9.768 8.836 0.986 1.00 0.34 H new ATOM 0 HA ILE A 48 -9.350 6.443 2.302 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.547 9.337 3.116 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -7.315 7.273 3.277 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.534 8.414 1.965 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.867 8.807 5.414 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.495 8.195 5.033 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -9.112 7.076 5.080 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.815 9.189 3.522 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.209 10.296 3.529 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.987 9.137 4.861 1.00 0.42 H new ATOM 493 N LYS A 49 -12.254 7.812 3.024 1.00 0.31 N ATOM 494 CA LYS A 49 -13.572 7.561 3.590 1.00 0.32 C ATOM 495 C LYS A 49 -14.190 6.288 3.014 1.00 0.27 C ATOM 496 O LYS A 49 -14.605 5.402 3.759 1.00 0.27 O ATOM 497 CB LYS A 49 -14.485 8.760 3.330 1.00 0.39 C ATOM 498 CG LYS A 49 -15.938 8.530 3.709 1.00 0.44 C ATOM 499 CD LYS A 49 -16.748 9.810 3.592 1.00 0.63 C ATOM 500 CE LYS A 49 -16.932 10.239 2.147 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.894 11.366 2.027 1.00 1.50 N ATOM 0 H LYS A 49 -12.166 8.715 2.557 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.461 7.419 4.665 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -14.107 9.618 3.887 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.434 9.019 2.272 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -16.368 7.765 3.063 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.994 8.153 4.730 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.725 9.664 4.054 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -16.250 10.606 4.145 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.970 10.536 1.730 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -17.287 9.393 1.558 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.769 11.029 1.576 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.113 11.738 2.973 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -17.474 12.121 1.447 1.00 1.50 H new ATOM 515 N PHE A 50 -14.231 6.191 1.692 1.00 0.27 N ATOM 516 CA PHE A 50 -14.858 5.048 1.037 1.00 0.27 C ATOM 517 C PHE A 50 -14.059 3.769 1.248 1.00 0.23 C ATOM 518 O PHE A 50 -14.638 2.697 1.406 1.00 0.25 O ATOM 519 CB PHE A 50 -15.069 5.318 -0.451 1.00 0.35 C ATOM 520 CG PHE A 50 -16.133 6.343 -0.709 1.00 0.43 C ATOM 521 CD1 PHE A 50 -17.442 6.107 -0.322 1.00 0.56 C ATOM 522 CD2 PHE A 50 -15.827 7.547 -1.317 1.00 0.71 C ATOM 523 CE1 PHE A 50 -18.425 7.050 -0.540 1.00 0.65 C ATOM 524 CE2 PHE A 50 -16.805 8.495 -1.534 1.00 0.81 C ATOM 525 CZ PHE A 50 -18.105 8.247 -1.147 1.00 0.66 C ATOM 0 H PHE A 50 -13.841 6.885 1.054 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.834 4.904 1.500 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -14.131 5.656 -0.891 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -15.338 4.387 -0.950 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -17.696 5.173 0.157 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -14.811 7.747 -1.625 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -19.442 6.852 -0.236 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -16.552 9.432 -2.007 1.00 0.81 H new ATOM 0 HZ PHE A 50 -18.871 8.988 -1.319 1.00 0.66 H new ATOM 535 N TYR A 51 -12.735 3.876 1.275 1.00 0.23 N ATOM 536 CA TYR A 51 -11.902 2.715 1.564 1.00 0.25 C ATOM 537 C TYR A 51 -12.167 2.214 2.981 1.00 0.21 C ATOM 538 O TYR A 51 -12.278 1.011 3.216 1.00 0.23 O ATOM 539 CB TYR A 51 -10.414 3.033 1.382 1.00 0.31 C ATOM 540 CG TYR A 51 -9.996 3.193 -0.062 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.434 2.300 -1.032 1.00 0.53 C ATOM 542 CD2 TYR A 51 -9.161 4.231 -0.458 1.00 0.51 C ATOM 543 CE1 TYR A 51 -10.053 2.437 -2.353 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.776 4.375 -1.778 1.00 0.65 C ATOM 545 CZ TYR A 51 -9.225 3.474 -2.721 1.00 0.72 C ATOM 546 OH TYR A 51 -8.847 3.613 -4.036 1.00 0.88 O ATOM 0 H TYR A 51 -12.222 4.741 1.103 1.00 0.23 H new ATOM 0 HA TYR A 51 -12.164 1.931 0.854 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -10.179 3.950 1.922 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.824 2.236 1.835 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -11.083 1.485 -0.749 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.807 4.937 0.278 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -10.403 1.734 -3.094 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -8.128 5.188 -2.069 1.00 0.65 H new ATOM 0 HH TYR A 51 -8.263 4.395 -4.128 1.00 0.88 H new ATOM 556 N SER A 52 -12.299 3.144 3.919 1.00 0.20 N ATOM 557 CA SER A 52 -12.627 2.793 5.291 1.00 0.22 C ATOM 558 C SER A 52 -14.002 2.142 5.347 1.00 0.22 C ATOM 559 O SER A 52 -14.204 1.153 6.046 1.00 0.23 O ATOM 560 CB SER A 52 -12.586 4.032 6.184 1.00 0.25 C ATOM 561 OG SER A 52 -11.310 4.651 6.136 1.00 0.56 O ATOM 0 H SER A 52 -12.184 4.144 3.753 1.00 0.20 H new ATOM 0 HA SER A 52 -11.887 2.082 5.658 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.350 4.741 5.864 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.820 3.752 7.211 1.00 0.25 H new ATOM 0 HG SER A 52 -11.226 5.163 5.304 1.00 0.56 H new ATOM 567 N GLN A 53 -14.933 2.688 4.577 1.00 0.24 N ATOM 568 CA GLN A 53 -16.285 2.154 4.512 1.00 0.27 C ATOM 569 C GLN A 53 -16.298 0.737 3.932 1.00 0.26 C ATOM 570 O GLN A 53 -17.139 -0.083 4.292 1.00 0.30 O ATOM 571 CB GLN A 53 -17.180 3.090 3.704 1.00 0.31 C ATOM 572 CG GLN A 53 -17.507 4.386 4.425 1.00 0.37 C ATOM 573 CD GLN A 53 -18.638 5.149 3.768 1.00 0.49 C ATOM 574 OE1 GLN A 53 -19.806 4.957 4.103 1.00 1.12 O ATOM 575 NE2 GLN A 53 -18.304 6.016 2.827 1.00 0.94 N ATOM 0 H GLN A 53 -14.775 3.504 3.986 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.678 2.090 5.527 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.690 3.323 2.759 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -18.109 2.573 3.462 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.775 4.165 5.458 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.618 5.016 4.454 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -17.323 6.146 2.578 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.027 6.555 2.350 1.00 0.94 H new ATOM 584 N ALA A 54 -15.348 0.446 3.051 1.00 0.23 N ATOM 585 CA ALA A 54 -15.179 -0.902 2.525 1.00 0.24 C ATOM 586 C ALA A 54 -14.754 -1.850 3.643 1.00 0.23 C ATOM 587 O ALA A 54 -15.107 -3.029 3.648 1.00 0.25 O ATOM 588 CB ALA A 54 -14.153 -0.905 1.401 1.00 0.25 C ATOM 0 H ALA A 54 -14.682 1.127 2.686 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.131 -1.246 2.121 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -14.037 -1.919 1.017 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.491 -0.250 0.598 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.196 -0.549 1.781 1.00 0.25 H new ATOM 594 N ILE A 55 -14.015 -1.303 4.600 1.00 0.22 N ATOM 595 CA ILE A 55 -13.555 -2.053 5.770 1.00 0.22 C ATOM 596 C ILE A 55 -14.664 -2.128 6.821 1.00 0.24 C ATOM 597 O ILE A 55 -14.573 -2.850 7.818 1.00 0.27 O ATOM 598 CB ILE A 55 -12.308 -1.388 6.383 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.259 -1.151 5.302 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.725 -2.243 7.500 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.230 -0.122 5.691 1.00 0.28 C ATOM 0 H ILE A 55 -13.716 -0.328 4.590 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.296 -3.062 5.448 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.607 -0.430 6.810 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.756 -2.092 5.080 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.756 -0.831 4.386 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.846 -1.750 7.915 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.471 -2.375 8.284 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.441 -3.217 7.102 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.513 0.000 4.879 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.723 0.830 5.886 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.708 -0.451 6.590 1.00 0.28 H new ATOM 613 N GLU A 56 -15.709 -1.360 6.598 1.00 0.27 N ATOM 614 CA GLU A 56 -16.898 -1.447 7.421 1.00 0.31 C ATOM 615 C GLU A 56 -17.800 -2.545 6.876 1.00 0.31 C ATOM 616 O GLU A 56 -18.605 -3.132 7.599 1.00 0.34 O ATOM 617 CB GLU A 56 -17.629 -0.106 7.417 1.00 0.34 C ATOM 618 CG GLU A 56 -16.714 1.067 7.724 1.00 0.36 C ATOM 619 CD GLU A 56 -16.410 1.208 9.200 1.00 0.45 C ATOM 620 OE1 GLU A 56 -15.449 0.575 9.680 1.00 0.81 O ATOM 621 OE2 GLU A 56 -17.129 1.965 9.886 1.00 0.78 O ATOM 0 H GLU A 56 -15.760 -0.666 5.852 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.621 -1.686 8.448 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.092 0.047 6.442 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.434 -0.134 8.152 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.780 0.945 7.176 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.177 1.986 7.364 1.00 0.36 H new ATOM 628 N LEU A 57 -17.640 -2.827 5.590 1.00 0.31 N ATOM 629 CA LEU A 57 -18.414 -3.866 4.932 1.00 0.33 C ATOM 630 C LEU A 57 -17.733 -5.219 5.087 1.00 0.33 C ATOM 631 O LEU A 57 -18.334 -6.151 5.621 1.00 0.40 O ATOM 632 CB LEU A 57 -18.618 -3.508 3.467 1.00 0.34 C ATOM 633 CG LEU A 57 -19.237 -2.128 3.249 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.355 -1.818 1.780 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.598 -2.036 3.915 1.00 0.40 C ATOM 0 H LEU A 57 -16.977 -2.347 4.981 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.394 -3.937 5.405 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.656 -3.549 2.955 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.258 -4.260 3.005 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.577 -1.390 3.705 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.798 -0.831 1.651 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.365 -1.834 1.324 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.987 -2.565 1.300 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -21.019 -1.045 3.746 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.262 -2.789 3.491 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.491 -2.208 4.986 1.00 0.40 H new ATOM 647 N ASN A 58 -16.481 -5.333 4.647 1.00 0.29 N ATOM 648 CA ASN A 58 -15.700 -6.522 4.954 1.00 0.30 C ATOM 649 C ASN A 58 -14.601 -6.082 5.910 1.00 0.30 C ATOM 650 O ASN A 58 -14.421 -4.893 6.103 1.00 0.34 O ATOM 651 CB ASN A 58 -15.090 -7.085 3.655 1.00 0.35 C ATOM 652 CG ASN A 58 -14.831 -8.585 3.698 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.597 -9.346 4.277 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.737 -9.020 3.099 1.00 0.57 N ATOM 0 H ASN A 58 -15.997 -4.630 4.088 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.313 -7.304 5.403 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.761 -6.865 2.824 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.151 -6.569 3.452 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.510 -10.014 3.110 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -13.119 -8.361 2.625 1.00 0.57 H new ATOM 661 N PRO A 59 -13.849 -6.992 6.516 1.00 0.31 N ATOM 662 CA PRO A 59 -12.699 -6.633 7.322 1.00 0.35 C ATOM 663 C PRO A 59 -11.342 -6.949 6.684 1.00 0.35 C ATOM 664 O PRO A 59 -10.571 -6.047 6.351 1.00 0.35 O ATOM 665 CB PRO A 59 -12.956 -7.484 8.559 1.00 0.41 C ATOM 666 CG PRO A 59 -13.631 -8.730 8.045 1.00 0.41 C ATOM 667 CD PRO A 59 -14.163 -8.407 6.664 1.00 0.34 C ATOM 0 HA PRO A 59 -12.618 -5.559 7.492 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.025 -7.723 9.073 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.589 -6.959 9.274 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -12.927 -9.561 8.002 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.441 -9.032 8.709 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.681 -9.010 5.894 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.235 -8.593 6.590 1.00 0.34 H new ATOM 675 N SER A 60 -11.066 -8.233 6.512 1.00 0.44 N ATOM 676 CA SER A 60 -9.740 -8.703 6.158 1.00 0.49 C ATOM 677 C SER A 60 -9.447 -8.598 4.662 1.00 0.49 C ATOM 678 O SER A 60 -9.441 -9.598 3.944 1.00 0.68 O ATOM 679 CB SER A 60 -9.581 -10.145 6.641 1.00 0.63 C ATOM 680 OG SER A 60 -10.797 -10.863 6.485 1.00 1.52 O ATOM 0 H SER A 60 -11.757 -8.977 6.614 1.00 0.44 H new ATOM 0 HA SER A 60 -9.014 -8.056 6.650 1.00 0.49 H new ATOM 0 HB2 SER A 60 -8.788 -10.637 6.078 1.00 0.63 H new ATOM 0 HB3 SER A 60 -9.280 -10.152 7.689 1.00 0.63 H new ATOM 0 HG SER A 60 -10.676 -11.784 6.798 1.00 1.52 H new ATOM 686 N ASN A 61 -9.224 -7.381 4.189 1.00 0.43 N ATOM 687 CA ASN A 61 -8.745 -7.173 2.830 1.00 0.45 C ATOM 688 C ASN A 61 -7.473 -6.346 2.842 1.00 0.38 C ATOM 689 O ASN A 61 -7.506 -5.137 3.103 1.00 0.34 O ATOM 690 CB ASN A 61 -9.784 -6.475 1.955 1.00 0.48 C ATOM 691 CG ASN A 61 -11.029 -7.305 1.735 1.00 0.79 C ATOM 692 OD1 ASN A 61 -11.996 -7.181 2.474 1.00 1.76 O ATOM 693 ND2 ASN A 61 -11.015 -8.150 0.717 1.00 1.07 N ATOM 0 H ASN A 61 -9.366 -6.524 4.724 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.549 -8.158 2.407 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.063 -5.528 2.418 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -9.337 -6.238 0.989 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -11.832 -8.729 0.524 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -10.187 -8.222 0.125 1.00 1.07 H new ATOM 700 N ALA A 62 -6.355 -6.997 2.544 1.00 0.42 N ATOM 701 CA ALA A 62 -5.069 -6.321 2.476 1.00 0.42 C ATOM 702 C ALA A 62 -5.094 -5.244 1.401 1.00 0.37 C ATOM 703 O ALA A 62 -4.283 -4.319 1.402 1.00 0.38 O ATOM 704 CB ALA A 62 -3.962 -7.323 2.195 1.00 0.52 C ATOM 0 H ALA A 62 -6.315 -7.997 2.345 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.873 -5.847 3.438 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.005 -6.804 2.147 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.932 -8.065 2.993 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.154 -7.820 1.244 1.00 0.52 H new ATOM 710 N ILE A 63 -6.029 -5.387 0.478 1.00 0.36 N ATOM 711 CA ILE A 63 -6.237 -4.407 -0.568 1.00 0.35 C ATOM 712 C ILE A 63 -6.782 -3.099 -0.003 1.00 0.31 C ATOM 713 O ILE A 63 -6.236 -2.037 -0.270 1.00 0.34 O ATOM 714 CB ILE A 63 -7.197 -4.953 -1.643 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.562 -6.162 -2.329 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.548 -3.877 -2.660 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.258 -5.837 -3.011 1.00 0.74 C ATOM 0 H ILE A 63 -6.663 -6.185 0.434 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.268 -4.206 -1.025 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.124 -5.263 -1.161 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.393 -6.945 -1.589 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.260 -6.563 -3.064 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.226 -4.290 -3.407 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -8.031 -3.041 -2.153 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.639 -3.528 -3.149 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.858 -6.737 -3.479 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.426 -5.076 -3.773 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.546 -5.463 -2.275 1.00 0.74 H new ATOM 729 N TYR A 64 -7.828 -3.180 0.812 1.00 0.29 N ATOM 730 CA TYR A 64 -8.509 -1.978 1.293 1.00 0.28 C ATOM 731 C TYR A 64 -7.621 -1.175 2.232 1.00 0.30 C ATOM 732 O TYR A 64 -7.582 0.054 2.158 1.00 0.34 O ATOM 733 CB TYR A 64 -9.825 -2.337 1.978 1.00 0.26 C ATOM 734 CG TYR A 64 -10.832 -2.953 1.037 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.824 -2.640 -0.318 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.779 -3.855 1.494 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.730 -3.211 -1.185 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.685 -4.435 0.631 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.657 -4.109 -0.707 1.00 0.35 C ATOM 740 OH TYR A 64 -13.554 -4.686 -1.572 1.00 0.42 O ATOM 0 H TYR A 64 -8.222 -4.057 1.153 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.729 -1.355 0.426 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.626 -3.032 2.794 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.254 -1.439 2.422 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.096 -1.938 -0.697 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.808 -4.108 2.543 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.713 -2.955 -2.234 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.413 -5.141 1.002 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.143 -4.776 -2.457 1.00 0.42 H new ATOM 750 N TYR A 65 -6.899 -1.864 3.102 1.00 0.30 N ATOM 751 CA TYR A 65 -5.947 -1.189 3.978 1.00 0.32 C ATOM 752 C TYR A 65 -4.761 -0.669 3.175 1.00 0.33 C ATOM 753 O TYR A 65 -4.139 0.332 3.535 1.00 0.37 O ATOM 754 CB TYR A 65 -5.477 -2.119 5.091 1.00 0.34 C ATOM 755 CG TYR A 65 -6.430 -2.178 6.260 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.526 -3.029 6.254 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.228 -1.378 7.375 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.388 -3.084 7.330 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.087 -1.425 8.454 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.164 -2.282 8.427 1.00 0.47 C ATOM 761 OH TYR A 65 -9.015 -2.346 9.505 1.00 0.55 O ATOM 0 H TYR A 65 -6.950 -2.876 3.222 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.451 -0.340 4.439 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.347 -3.123 4.686 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.500 -1.788 5.444 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.707 -3.657 5.395 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.383 -0.706 7.399 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.235 -3.754 7.312 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.916 -0.794 9.314 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.716 -1.718 10.195 1.00 0.55 H new ATOM 771 N GLY A 66 -4.462 -1.342 2.071 1.00 0.35 N ATOM 772 CA GLY A 66 -3.432 -0.868 1.174 1.00 0.41 C ATOM 773 C GLY A 66 -3.872 0.380 0.445 1.00 0.43 C ATOM 774 O GLY A 66 -3.100 1.322 0.281 1.00 0.51 O ATOM 0 H GLY A 66 -4.916 -2.208 1.783 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.522 -0.661 1.738 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -3.189 -1.647 0.452 1.00 0.41 H new ATOM 778 N ASN A 67 -5.124 0.379 0.022 1.00 0.44 N ATOM 779 CA ASN A 67 -5.732 1.543 -0.602 1.00 0.57 C ATOM 780 C ASN A 67 -5.688 2.734 0.350 1.00 0.41 C ATOM 781 O ASN A 67 -5.360 3.850 -0.050 1.00 0.38 O ATOM 782 CB ASN A 67 -7.184 1.253 -0.986 1.00 0.84 C ATOM 783 CG ASN A 67 -7.340 0.157 -2.028 1.00 1.28 C ATOM 784 OD1 ASN A 67 -8.327 -0.579 -2.019 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.390 0.051 -2.942 1.00 1.35 N ATOM 0 H ASN A 67 -5.747 -0.425 0.101 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.167 1.778 -1.504 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -7.737 0.970 -0.090 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.639 2.168 -1.365 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.461 -0.659 -3.671 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -5.586 0.679 -2.918 1.00 1.35 H new ATOM 792 N ARG A 68 -6.018 2.485 1.615 1.00 0.39 N ATOM 793 CA ARG A 68 -5.980 3.529 2.632 1.00 0.39 C ATOM 794 C ARG A 68 -4.569 4.050 2.835 1.00 0.31 C ATOM 795 O ARG A 68 -4.338 5.251 2.767 1.00 0.32 O ATOM 796 CB ARG A 68 -6.518 3.034 3.968 1.00 0.53 C ATOM 797 CG ARG A 68 -8.014 2.807 3.991 1.00 0.80 C ATOM 798 CD ARG A 68 -8.600 3.250 5.318 1.00 0.48 C ATOM 799 NE ARG A 68 -7.914 2.640 6.456 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.397 2.623 7.697 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.597 3.137 7.962 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.678 2.098 8.681 1.00 1.87 N ATOM 0 H ARG A 68 -6.314 1.571 1.958 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.617 4.336 2.269 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -6.017 2.101 4.225 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.260 3.758 4.741 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -8.484 3.359 3.177 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -8.230 1.751 3.826 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.537 4.335 5.397 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.658 2.989 5.351 1.00 0.48 H new ATOM 0 HE ARG A 68 -7.009 2.200 6.289 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -10.153 3.547 7.212 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -9.960 3.120 8.915 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.756 1.708 8.487 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.047 2.085 9.632 1.00 1.87 H new ATOM 816 N SER A 69 -3.631 3.147 3.095 1.00 0.31 N ATOM 817 CA SER A 69 -2.247 3.535 3.325 1.00 0.32 C ATOM 818 C SER A 69 -1.697 4.329 2.144 1.00 0.27 C ATOM 819 O SER A 69 -0.996 5.313 2.332 1.00 0.27 O ATOM 820 CB SER A 69 -1.382 2.306 3.619 1.00 0.43 C ATOM 821 OG SER A 69 -1.693 1.231 2.752 1.00 1.16 O ATOM 0 H SER A 69 -3.804 2.143 3.152 1.00 0.31 H new ATOM 0 HA SER A 69 -2.217 4.184 4.200 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.329 2.567 3.512 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.530 1.995 4.653 1.00 0.43 H new ATOM 0 HG SER A 69 -2.496 0.772 3.075 1.00 1.16 H new ATOM 827 N LEU A 70 -2.045 3.915 0.933 1.00 0.28 N ATOM 828 CA LEU A 70 -1.658 4.638 -0.272 1.00 0.31 C ATOM 829 C LEU A 70 -2.304 6.028 -0.301 1.00 0.31 C ATOM 830 O LEU A 70 -1.674 7.007 -0.703 1.00 0.38 O ATOM 831 CB LEU A 70 -2.032 3.802 -1.510 1.00 0.36 C ATOM 832 CG LEU A 70 -1.637 4.365 -2.883 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.697 5.326 -3.400 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.272 5.043 -2.826 1.00 1.16 C ATOM 0 H LEU A 70 -2.599 3.076 0.758 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.579 4.791 -0.276 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.575 2.818 -1.404 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -3.112 3.654 -1.504 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.568 3.530 -3.580 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.395 5.712 -4.374 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.648 4.801 -3.497 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.809 6.154 -2.701 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -0.018 5.432 -3.812 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.303 5.863 -2.109 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.481 4.319 -2.517 1.00 1.16 H new ATOM 846 N ALA A 71 -3.544 6.121 0.153 1.00 0.26 N ATOM 847 CA ALA A 71 -4.235 7.398 0.211 1.00 0.30 C ATOM 848 C ALA A 71 -3.596 8.292 1.268 1.00 0.29 C ATOM 849 O ALA A 71 -3.361 9.475 1.031 1.00 0.36 O ATOM 850 CB ALA A 71 -5.710 7.188 0.498 1.00 0.32 C ATOM 0 H ALA A 71 -4.092 5.328 0.486 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.146 7.893 -0.756 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.214 8.154 0.538 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.152 6.581 -0.292 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.826 6.678 1.454 1.00 0.32 H new ATOM 856 N TYR A 72 -3.295 7.706 2.423 1.00 0.25 N ATOM 857 CA TYR A 72 -2.569 8.403 3.478 1.00 0.25 C ATOM 858 C TYR A 72 -1.171 8.786 2.991 1.00 0.26 C ATOM 859 O TYR A 72 -0.614 9.806 3.393 1.00 0.30 O ATOM 860 CB TYR A 72 -2.470 7.534 4.740 1.00 0.25 C ATOM 861 CG TYR A 72 -3.773 7.389 5.508 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.359 8.483 6.135 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.414 6.158 5.612 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.543 8.357 6.841 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.598 6.025 6.316 1.00 0.47 C ATOM 866 CZ TYR A 72 -6.158 7.126 6.928 1.00 0.43 C ATOM 867 OH TYR A 72 -7.341 6.999 7.626 1.00 0.52 O ATOM 0 H TYR A 72 -3.545 6.744 2.652 1.00 0.25 H new ATOM 0 HA TYR A 72 -3.119 9.310 3.730 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -2.118 6.542 4.456 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.718 7.962 5.403 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.881 9.449 6.070 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.980 5.292 5.135 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.983 9.219 7.321 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -6.082 5.062 6.386 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.644 6.068 7.590 1.00 0.52 H new ATOM 877 N LEU A 73 -0.617 7.956 2.118 1.00 0.26 N ATOM 878 CA LEU A 73 0.671 8.221 1.491 1.00 0.30 C ATOM 879 C LEU A 73 0.600 9.455 0.597 1.00 0.37 C ATOM 880 O LEU A 73 1.600 10.140 0.385 1.00 0.50 O ATOM 881 CB LEU A 73 1.118 6.989 0.691 1.00 0.31 C ATOM 882 CG LEU A 73 1.888 5.944 1.502 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.036 4.649 0.716 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.257 6.478 1.891 1.00 0.43 C ATOM 0 H LEU A 73 -1.048 7.079 1.824 1.00 0.26 H new ATOM 0 HA LEU A 73 1.407 8.423 2.269 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.237 6.515 0.257 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.744 7.319 -0.138 1.00 0.31 H new ATOM 0 HG LEU A 73 1.320 5.734 2.409 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.587 3.922 1.313 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.049 4.252 0.480 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.579 4.845 -0.209 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.792 5.723 2.467 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.824 6.716 0.991 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.138 7.378 2.494 1.00 0.43 H new ATOM 896 N ARG A 74 -0.589 9.741 0.081 1.00 0.38 N ATOM 897 CA ARG A 74 -0.791 10.931 -0.737 1.00 0.48 C ATOM 898 C ARG A 74 -1.031 12.151 0.148 1.00 0.53 C ATOM 899 O ARG A 74 -0.681 13.274 -0.212 1.00 0.67 O ATOM 900 CB ARG A 74 -1.989 10.766 -1.674 1.00 0.51 C ATOM 901 CG ARG A 74 -2.009 9.474 -2.472 1.00 0.48 C ATOM 902 CD ARG A 74 -0.720 9.256 -3.249 1.00 1.19 C ATOM 903 NE ARG A 74 -0.418 10.353 -4.172 1.00 1.95 N ATOM 904 CZ ARG A 74 0.764 10.505 -4.774 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.736 9.622 -4.567 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.966 11.530 -5.591 1.00 3.53 N ATOM 0 H ARG A 74 -1.423 9.169 0.213 1.00 0.38 H new ATOM 0 HA ARG A 74 0.112 11.071 -1.332 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.903 10.824 -1.083 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.005 11.605 -2.370 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.170 8.634 -1.796 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -2.850 9.491 -3.165 1.00 0.48 H new ATOM 0 HD2 ARG A 74 0.106 9.140 -2.547 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -0.794 8.325 -3.811 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.150 11.037 -4.365 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.579 8.827 -3.948 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.638 9.740 -5.028 1.00 3.07 H new ATOM 0 HH21 ARG A 74 0.218 12.203 -5.760 1.00 3.53 H new ATOM 0 HH22 ARG A 74 1.869 11.646 -6.051 1.00 3.53 H new ATOM 920 N THR A 75 -1.640 11.923 1.304 1.00 0.48 N ATOM 921 CA THR A 75 -2.009 13.007 2.202 1.00 0.57 C ATOM 922 C THR A 75 -0.910 13.303 3.216 1.00 0.70 C ATOM 923 O THR A 75 -1.150 13.981 4.219 1.00 1.53 O ATOM 924 CB THR A 75 -3.317 12.680 2.941 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.213 11.402 3.579 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.487 12.674 1.973 1.00 0.49 C ATOM 0 H THR A 75 -1.889 10.993 1.642 1.00 0.48 H new ATOM 0 HA THR A 75 -2.153 13.895 1.587 1.00 0.57 H new ATOM 0 HB THR A 75 -3.489 13.447 3.696 1.00 0.54 H new ATOM 0 HG1 THR A 75 -3.383 11.501 4.539 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.405 12.441 2.513 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.579 13.655 1.508 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.318 11.922 1.203 1.00 0.49 H new ATOM 934 N GLU A 76 0.295 12.790 2.946 1.00 0.57 N ATOM 935 CA GLU A 76 1.471 13.057 3.777 1.00 0.59 C ATOM 936 C GLU A 76 1.303 12.447 5.171 1.00 0.42 C ATOM 937 O GLU A 76 1.995 12.810 6.121 1.00 0.45 O ATOM 938 CB GLU A 76 1.708 14.569 3.869 1.00 0.86 C ATOM 939 CG GLU A 76 1.648 15.266 2.516 1.00 1.85 C ATOM 940 CD GLU A 76 2.835 14.950 1.629 1.00 2.38 C ATOM 941 OE1 GLU A 76 2.886 13.841 1.060 1.00 2.77 O ATOM 942 OE2 GLU A 76 3.732 15.810 1.500 1.00 2.71 O ATOM 0 H GLU A 76 0.481 12.181 2.149 1.00 0.57 H new ATOM 0 HA GLU A 76 2.341 12.592 3.314 1.00 0.59 H new ATOM 0 HB2 GLU A 76 0.962 15.008 4.531 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.682 14.751 4.322 1.00 0.86 H new ATOM 0 HG2 GLU A 76 0.732 14.973 2.004 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.595 16.344 2.672 1.00 1.85 H new ATOM 949 N CYS A 77 0.398 11.488 5.259 1.00 0.32 N ATOM 950 CA CYS A 77 0.054 10.822 6.509 1.00 0.32 C ATOM 951 C CYS A 77 0.848 9.539 6.676 1.00 0.32 C ATOM 952 O CYS A 77 0.317 8.542 7.157 1.00 0.35 O ATOM 953 CB CYS A 77 -1.437 10.504 6.543 1.00 0.33 C ATOM 954 SG CYS A 77 -2.511 11.954 6.476 1.00 0.37 S ATOM 0 H CYS A 77 -0.127 11.143 4.455 1.00 0.32 H new ATOM 0 HA CYS A 77 0.301 11.497 7.329 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.676 9.851 5.704 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.656 9.946 7.453 1.00 0.33 H new ATOM 0 HG CYS A 77 -2.041 12.802 5.610 1.00 0.37 H new ATOM 960 N TYR A 78 2.098 9.562 6.239 1.00 0.34 N ATOM 961 CA TYR A 78 2.946 8.372 6.213 1.00 0.38 C ATOM 962 C TYR A 78 2.903 7.574 7.526 1.00 0.41 C ATOM 963 O TYR A 78 3.035 6.355 7.509 1.00 0.43 O ATOM 964 CB TYR A 78 4.389 8.748 5.912 1.00 0.44 C ATOM 965 CG TYR A 78 4.561 9.792 4.829 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.836 9.734 3.644 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.460 10.838 4.995 1.00 0.54 C ATOM 968 CE1 TYR A 78 4.004 10.690 2.659 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.633 11.793 4.016 1.00 0.66 C ATOM 970 CZ TYR A 78 4.905 11.715 2.850 1.00 0.66 C ATOM 971 OH TYR A 78 5.084 12.666 1.875 1.00 0.84 O ATOM 0 H TYR A 78 2.556 10.404 5.892 1.00 0.34 H new ATOM 0 HA TYR A 78 2.547 7.736 5.423 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.852 9.115 6.828 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.930 7.848 5.619 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.131 8.930 3.491 1.00 0.55 H new ATOM 0 HD2 TYR A 78 6.034 10.904 5.908 1.00 0.54 H new ATOM 0 HE1 TYR A 78 3.432 10.634 1.745 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.337 12.599 4.163 1.00 0.66 H new ATOM 0 HH TYR A 78 4.227 12.852 1.438 1.00 0.84 H new ATOM 981 N GLY A 79 2.736 8.257 8.658 1.00 0.43 N ATOM 982 CA GLY A 79 2.566 7.555 9.922 1.00 0.49 C ATOM 983 C GLY A 79 1.394 6.586 9.871 1.00 0.42 C ATOM 984 O GLY A 79 1.534 5.401 10.189 1.00 0.42 O ATOM 0 H GLY A 79 2.715 9.275 8.723 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.479 7.010 10.162 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.407 8.278 10.722 1.00 0.49 H new ATOM 988 N TYR A 80 0.247 7.099 9.441 1.00 0.38 N ATOM 989 CA TYR A 80 -0.938 6.280 9.207 1.00 0.36 C ATOM 990 C TYR A 80 -0.648 5.227 8.151 1.00 0.30 C ATOM 991 O TYR A 80 -0.952 4.051 8.330 1.00 0.32 O ATOM 992 CB TYR A 80 -2.097 7.154 8.726 1.00 0.40 C ATOM 993 CG TYR A 80 -3.190 7.352 9.746 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.980 6.290 10.158 1.00 0.96 C ATOM 995 CD2 TYR A 80 -3.448 8.608 10.277 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.998 6.470 11.072 1.00 1.28 C ATOM 997 CE2 TYR A 80 -4.462 8.798 11.196 1.00 1.34 C ATOM 998 CZ TYR A 80 -5.236 7.726 11.589 1.00 1.29 C ATOM 999 OH TYR A 80 -6.255 7.909 12.499 1.00 1.70 O ATOM 0 H TYR A 80 0.112 8.091 9.245 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.208 5.795 10.145 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.705 8.129 8.436 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.528 6.705 7.831 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -3.795 5.304 9.757 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.847 9.450 9.967 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -5.605 5.632 11.381 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -4.648 9.780 11.604 1.00 1.34 H new ATOM 0 HH TYR A 80 -6.290 8.851 12.766 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.036 5.674 7.059 1.00 0.28 N ATOM 1010 CA ALA A 81 0.257 4.819 5.917 1.00 0.28 C ATOM 1011 C ALA A 81 1.066 3.595 6.323 1.00 0.29 C ATOM 1012 O ALA A 81 0.709 2.468 5.992 1.00 0.33 O ATOM 1013 CB ALA A 81 0.995 5.613 4.852 1.00 0.31 C ATOM 0 H ALA A 81 0.270 6.640 6.942 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.690 4.464 5.511 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.211 4.967 4.001 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.375 6.448 4.526 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.929 5.994 5.264 1.00 0.31 H new ATOM 1019 N LEU A 82 2.142 3.826 7.056 1.00 0.30 N ATOM 1020 CA LEU A 82 3.035 2.756 7.479 1.00 0.34 C ATOM 1021 C LEU A 82 2.293 1.754 8.366 1.00 0.32 C ATOM 1022 O LEU A 82 2.471 0.539 8.229 1.00 0.37 O ATOM 1023 CB LEU A 82 4.258 3.372 8.190 1.00 0.42 C ATOM 1024 CG LEU A 82 5.402 2.418 8.582 1.00 0.49 C ATOM 1025 CD1 LEU A 82 5.054 1.600 9.811 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.760 1.500 7.427 1.00 0.52 C ATOM 0 H LEU A 82 2.422 4.754 7.374 1.00 0.30 H new ATOM 0 HA LEU A 82 3.389 2.201 6.610 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.671 4.145 7.542 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.907 3.868 9.095 1.00 0.42 H new ATOM 0 HG LEU A 82 6.268 3.035 8.823 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.886 0.939 10.056 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.862 2.268 10.650 1.00 0.49 H new ATOM 0 HD13 LEU A 82 4.164 1.004 9.611 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.570 0.836 7.728 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.888 0.907 7.150 1.00 0.52 H new ATOM 0 HD23 LEU A 82 6.079 2.097 6.573 1.00 0.52 H new ATOM 1038 N ASN A 83 1.442 2.256 9.252 1.00 0.32 N ATOM 1039 CA ASN A 83 0.712 1.387 10.173 1.00 0.39 C ATOM 1040 C ASN A 83 -0.414 0.646 9.468 1.00 0.38 C ATOM 1041 O ASN A 83 -0.652 -0.535 9.726 1.00 0.42 O ATOM 1042 CB ASN A 83 0.159 2.179 11.365 1.00 0.47 C ATOM 1043 CG ASN A 83 1.252 2.695 12.285 1.00 1.25 C ATOM 1044 OD1 ASN A 83 2.330 2.106 12.377 1.00 1.86 O ATOM 1045 ND2 ASN A 83 0.981 3.789 12.982 1.00 2.09 N ATOM 0 H ASN A 83 1.240 3.251 9.354 1.00 0.32 H new ATOM 0 HA ASN A 83 1.423 0.650 10.547 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.427 3.021 10.996 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.519 1.544 11.934 1.00 0.47 H new ATOM 0 HD21 ASN A 83 1.677 4.171 13.622 1.00 2.09 H new ATOM 0 HD22 ASN A 83 0.076 4.249 12.878 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.085 1.329 8.562 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.224 0.754 7.865 1.00 0.45 C ATOM 1054 C ASP A 84 -1.756 -0.237 6.797 1.00 0.42 C ATOM 1055 O ASP A 84 -2.417 -1.243 6.530 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.061 1.868 7.246 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.556 1.659 7.429 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.015 1.625 8.592 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.284 1.557 6.422 1.00 1.19 O ATOM 0 H ASP A 84 -0.862 2.286 8.289 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.841 0.207 8.578 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.775 2.820 7.692 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.837 1.935 6.181 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.597 0.040 6.201 1.00 0.41 N ATOM 1065 CA ALA A 85 0.010 -0.879 5.240 1.00 0.43 C ATOM 1066 C ALA A 85 0.455 -2.154 5.941 1.00 0.42 C ATOM 1067 O ALA A 85 0.313 -3.257 5.408 1.00 0.42 O ATOM 1068 CB ALA A 85 1.189 -0.226 4.535 1.00 0.48 C ATOM 0 H ALA A 85 -0.061 0.892 6.366 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.738 -1.131 4.489 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.624 -0.930 3.825 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.848 0.662 4.003 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.941 0.058 5.271 1.00 0.48 H new ATOM 1074 N THR A 86 0.987 -1.993 7.148 1.00 0.42 N ATOM 1075 CA THR A 86 1.349 -3.130 7.979 1.00 0.44 C ATOM 1076 C THR A 86 0.105 -3.952 8.301 1.00 0.43 C ATOM 1077 O THR A 86 0.157 -5.177 8.387 1.00 0.44 O ATOM 1078 CB THR A 86 2.023 -2.670 9.291 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.232 -1.956 8.997 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.334 -3.853 10.200 1.00 0.55 C ATOM 0 H THR A 86 1.176 -1.084 7.571 1.00 0.42 H new ATOM 0 HA THR A 86 2.061 -3.743 7.425 1.00 0.44 H new ATOM 0 HB THR A 86 1.327 -2.013 9.813 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.012 -1.098 8.577 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.808 -3.495 11.114 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.409 -4.373 10.450 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.008 -4.539 9.687 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.020 -3.262 8.442 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.281 -3.914 8.748 1.00 0.43 C ATOM 1090 C ARG A 87 -2.678 -4.866 7.626 1.00 0.39 C ATOM 1091 O ARG A 87 -3.215 -5.942 7.873 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.379 -2.875 8.967 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.578 -3.425 9.707 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.163 -3.994 11.047 1.00 0.71 C ATOM 1095 NE ARG A 87 -3.490 -2.996 11.880 1.00 1.63 N ATOM 1096 CZ ARG A 87 -2.513 -3.287 12.741 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -2.172 -4.553 12.958 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -1.902 -2.314 13.411 1.00 3.28 N ATOM 0 H ARG A 87 -1.082 -2.248 8.348 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.154 -4.490 9.665 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.969 -2.034 9.526 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.702 -2.488 8.001 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.315 -2.635 9.854 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.057 -4.201 9.109 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.043 -4.369 11.570 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.498 -4.844 10.890 1.00 0.71 H new ATOM 0 HE ARG A 87 -3.785 -2.023 11.798 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -2.657 -5.303 12.466 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -1.425 -4.774 13.616 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -2.180 -1.343 13.267 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -1.155 -2.539 14.069 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.413 -4.455 6.395 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.645 -5.315 5.240 1.00 0.38 C ATOM 1114 C ALA A 88 -1.800 -6.575 5.318 1.00 0.39 C ATOM 1115 O ALA A 88 -2.291 -7.664 5.058 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.346 -4.590 3.946 1.00 0.42 C ATOM 0 H ALA A 88 -2.038 -3.534 6.168 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.699 -5.591 5.254 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.529 -5.258 3.104 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.991 -3.715 3.862 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.303 -4.274 3.939 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.532 -6.417 5.674 1.00 0.42 N ATOM 1123 CA ILE A 89 0.368 -7.554 5.844 1.00 0.47 C ATOM 1124 C ILE A 89 -0.117 -8.470 6.979 1.00 0.47 C ATOM 1125 O ILE A 89 0.274 -9.631 7.073 1.00 0.59 O ATOM 1126 CB ILE A 89 1.812 -7.074 6.126 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.264 -6.094 5.038 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.775 -8.251 6.204 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.663 -5.560 5.245 1.00 1.15 C ATOM 0 H ILE A 89 -0.101 -5.510 5.852 1.00 0.42 H new ATOM 0 HA ILE A 89 0.367 -8.124 4.915 1.00 0.47 H new ATOM 0 HB ILE A 89 1.819 -6.565 7.090 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.214 -6.592 4.070 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.567 -5.257 5.003 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.782 -7.885 6.403 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.467 -8.920 7.007 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.766 -8.792 5.258 1.00 0.66 H new ATOM 0 HD11 ILE A 89 3.914 -4.873 4.437 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.714 -5.033 6.198 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.372 -6.388 5.250 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.969 -7.942 7.844 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.572 -8.738 8.905 1.00 0.43 C ATOM 1143 C GLU A 90 -2.830 -9.453 8.406 1.00 0.40 C ATOM 1144 O GLU A 90 -3.206 -10.508 8.923 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.915 -7.842 10.094 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.691 -7.252 10.776 1.00 0.50 C ATOM 1147 CD GLU A 90 0.113 -8.292 11.528 1.00 0.58 C ATOM 1148 OE1 GLU A 90 0.878 -9.033 10.876 1.00 0.73 O ATOM 1149 OE2 GLU A 90 -0.014 -8.379 12.769 1.00 0.82 O ATOM 0 H GLU A 90 -1.260 -6.964 7.833 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.853 -9.495 9.219 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.559 -7.031 9.755 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.485 -8.419 10.822 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.056 -6.778 10.028 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.006 -6.471 11.468 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.476 -8.869 7.404 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.684 -9.446 6.819 1.00 0.39 C ATOM 1158 C LEU A 91 -4.320 -10.451 5.733 1.00 0.43 C ATOM 1159 O LEU A 91 -5.007 -11.452 5.537 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.566 -8.350 6.221 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.995 -7.254 7.195 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.776 -6.180 6.467 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.825 -7.833 8.329 1.00 0.45 C ATOM 0 H LEU A 91 -3.183 -7.991 6.976 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.234 -9.955 7.611 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.030 -7.887 5.392 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.460 -8.813 5.804 1.00 0.36 H new ATOM 0 HG LEU A 91 -5.098 -6.807 7.623 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.075 -5.406 7.173 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.152 -5.740 5.689 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.664 -6.620 6.014 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -7.119 -7.034 9.010 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.717 -8.308 7.921 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.235 -8.572 8.871 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.240 -10.162 5.031 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.697 -11.055 4.037 1.00 0.53 C ATOM 1177 C ASP A 92 -1.212 -11.130 4.280 1.00 0.56 C ATOM 1178 O ASP A 92 -0.447 -10.292 3.797 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.997 -10.595 2.606 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.758 -11.696 1.585 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.643 -12.877 1.986 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -2.705 -11.391 0.374 1.00 2.34 O ATOM 0 H ASP A 92 -2.715 -9.294 5.139 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.163 -12.036 4.131 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -4.033 -10.263 2.543 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.371 -9.736 2.364 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.833 -12.107 5.086 1.00 0.48 N ATOM 1188 CA LYS A 93 0.502 -12.183 5.655 1.00 0.50 C ATOM 1189 C LYS A 93 1.557 -12.070 4.580 1.00 0.55 C ATOM 1190 O LYS A 93 2.466 -11.253 4.696 1.00 0.64 O ATOM 1191 CB LYS A 93 0.635 -13.483 6.442 1.00 0.55 C ATOM 1192 CG LYS A 93 1.628 -13.440 7.597 1.00 0.73 C ATOM 1193 CD LYS A 93 3.066 -13.304 7.129 1.00 1.22 C ATOM 1194 CE LYS A 93 4.027 -13.318 8.304 1.00 1.76 C ATOM 1195 NZ LYS A 93 5.435 -13.133 7.867 1.00 2.61 N ATOM 0 H LYS A 93 -1.445 -12.873 5.365 1.00 0.48 H new ATOM 0 HA LYS A 93 0.656 -11.344 6.334 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.345 -13.753 6.835 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.933 -14.276 5.756 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.382 -12.603 8.251 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.528 -14.349 8.191 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.308 -14.119 6.447 1.00 1.22 H new ATOM 0 HD3 LYS A 93 3.184 -12.376 6.570 1.00 1.22 H new ATOM 0 HE2 LYS A 93 3.757 -12.527 9.004 1.00 1.76 H new ATOM 0 HE3 LYS A 93 3.934 -14.263 8.839 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 6.061 -13.148 8.697 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 5.701 -13.901 7.219 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 5.530 -12.220 7.379 1.00 2.61 H new ATOM 1209 N LYS A 94 1.459 -12.865 3.534 1.00 0.55 N ATOM 1210 CA LYS A 94 2.294 -12.595 2.394 1.00 0.61 C ATOM 1211 C LYS A 94 1.459 -11.967 1.298 1.00 0.60 C ATOM 1212 O LYS A 94 0.757 -12.651 0.552 1.00 0.69 O ATOM 1213 CB LYS A 94 2.982 -13.860 1.875 1.00 0.76 C ATOM 1214 CG LYS A 94 3.808 -14.578 2.929 1.00 0.96 C ATOM 1215 CD LYS A 94 4.750 -15.597 2.307 1.00 1.17 C ATOM 1216 CE LYS A 94 5.985 -14.926 1.725 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.937 -15.912 1.147 1.00 2.11 N ATOM 0 H LYS A 94 0.836 -13.669 3.453 1.00 0.55 H new ATOM 0 HA LYS A 94 3.079 -11.906 2.705 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.225 -14.544 1.490 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.627 -13.595 1.038 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.385 -13.849 3.498 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.144 -15.079 3.633 1.00 0.96 H new ATOM 0 HD2 LYS A 94 5.050 -16.325 3.061 1.00 1.17 H new ATOM 0 HD3 LYS A 94 4.229 -16.146 1.523 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.683 -14.219 0.953 1.00 1.41 H new ATOM 0 HE3 LYS A 94 6.487 -14.352 2.504 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.814 -15.426 0.870 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 7.154 -16.641 1.856 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.509 -16.359 0.311 1.00 2.11 H new ATOM 1231 N TYR A 95 1.560 -10.658 1.221 1.00 0.53 N ATOM 1232 CA TYR A 95 1.066 -9.892 0.107 1.00 0.58 C ATOM 1233 C TYR A 95 2.140 -8.882 -0.237 1.00 0.55 C ATOM 1234 O TYR A 95 2.259 -7.838 0.402 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.263 -9.198 0.429 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.853 -8.466 -0.760 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.570 -8.880 -2.057 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.670 -7.356 -0.595 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.081 -8.212 -3.148 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.182 -6.681 -1.686 1.00 1.12 C ATOM 1241 CZ TYR A 95 -1.884 -7.116 -2.958 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.381 -6.437 -4.042 1.00 1.46 O ATOM 0 H TYR A 95 1.997 -10.089 1.947 1.00 0.53 H new ATOM 0 HA TYR A 95 0.858 -10.548 -0.738 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.978 -9.941 0.782 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -0.109 -8.491 1.244 1.00 0.63 H new ATOM 0 HD1 TYR A 95 0.062 -9.742 -2.212 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.909 -7.015 0.401 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -0.851 -8.549 -4.148 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.813 -5.816 -1.542 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.498 -7.058 -4.791 1.00 1.46 H new ATOM 1252 N ILE A 96 2.940 -9.230 -1.218 1.00 0.56 N ATOM 1253 CA ILE A 96 4.156 -8.502 -1.528 1.00 0.55 C ATOM 1254 C ILE A 96 3.882 -7.046 -1.911 1.00 0.49 C ATOM 1255 O ILE A 96 4.655 -6.154 -1.558 1.00 0.45 O ATOM 1256 CB ILE A 96 4.924 -9.245 -2.632 1.00 0.64 C ATOM 1257 CG1 ILE A 96 5.590 -10.493 -2.050 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.944 -8.354 -3.317 1.00 0.59 C ATOM 1259 CD1 ILE A 96 6.485 -10.204 -0.863 1.00 0.83 C ATOM 0 H ILE A 96 2.768 -10.029 -1.828 1.00 0.56 H new ATOM 0 HA ILE A 96 4.772 -8.462 -0.629 1.00 0.55 H new ATOM 0 HB ILE A 96 4.207 -9.546 -3.396 1.00 0.64 H new ATOM 0 HG12 ILE A 96 4.817 -11.200 -1.748 1.00 0.87 H new ATOM 0 HG13 ILE A 96 6.179 -10.977 -2.829 1.00 0.87 H new ATOM 0 HG21 ILE A 96 6.462 -8.922 -4.090 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.437 -7.503 -3.771 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.666 -7.997 -2.583 1.00 0.59 H new ATOM 0 HD11 ILE A 96 6.923 -11.135 -0.503 1.00 0.83 H new ATOM 0 HD12 ILE A 96 7.280 -9.521 -1.164 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.897 -9.748 -0.067 1.00 0.83 H new ATOM 1271 N LYS A 97 2.778 -6.802 -2.607 1.00 0.54 N ATOM 1272 CA LYS A 97 2.357 -5.435 -2.902 1.00 0.55 C ATOM 1273 C LYS A 97 2.122 -4.664 -1.601 1.00 0.50 C ATOM 1274 O LYS A 97 2.376 -3.463 -1.522 1.00 0.51 O ATOM 1275 CB LYS A 97 1.085 -5.437 -3.754 1.00 0.71 C ATOM 1276 CG LYS A 97 0.577 -4.047 -4.110 1.00 1.28 C ATOM 1277 CD LYS A 97 1.543 -3.307 -5.020 1.00 1.65 C ATOM 1278 CE LYS A 97 1.041 -1.910 -5.348 1.00 1.73 C ATOM 1279 NZ LYS A 97 -0.301 -1.936 -5.984 1.00 1.59 N ATOM 0 H LYS A 97 2.161 -7.526 -2.976 1.00 0.54 H new ATOM 0 HA LYS A 97 3.149 -4.942 -3.466 1.00 0.55 H new ATOM 0 HB2 LYS A 97 1.277 -5.989 -4.674 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.302 -5.973 -3.218 1.00 0.71 H new ATOM 0 HG2 LYS A 97 -0.393 -4.129 -4.600 1.00 1.28 H new ATOM 0 HG3 LYS A 97 0.425 -3.471 -3.197 1.00 1.28 H new ATOM 0 HD2 LYS A 97 2.519 -3.240 -4.539 1.00 1.65 H new ATOM 0 HD3 LYS A 97 1.680 -3.871 -5.942 1.00 1.65 H new ATOM 0 HE2 LYS A 97 0.998 -1.317 -4.435 1.00 1.73 H new ATOM 0 HE3 LYS A 97 1.749 -1.418 -6.015 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -0.512 -1.001 -6.389 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -0.313 -2.651 -6.739 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -1.019 -2.174 -5.270 1.00 1.59 H new ATOM 1293 N GLY A 98 1.660 -5.375 -0.578 1.00 0.51 N ATOM 1294 CA GLY A 98 1.431 -4.765 0.719 1.00 0.52 C ATOM 1295 C GLY A 98 2.734 -4.416 1.408 1.00 0.43 C ATOM 1296 O GLY A 98 2.865 -3.342 1.995 1.00 0.48 O ATOM 0 H GLY A 98 1.439 -6.370 -0.625 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.830 -3.864 0.597 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.858 -5.447 1.347 1.00 0.52 H new ATOM 1300 N TYR A 99 3.695 -5.332 1.331 1.00 0.35 N ATOM 1301 CA TYR A 99 5.043 -5.084 1.840 1.00 0.29 C ATOM 1302 C TYR A 99 5.652 -3.867 1.144 1.00 0.31 C ATOM 1303 O TYR A 99 6.273 -3.014 1.776 1.00 0.32 O ATOM 1304 CB TYR A 99 5.944 -6.296 1.586 1.00 0.30 C ATOM 1305 CG TYR A 99 5.721 -7.501 2.483 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.566 -8.258 2.352 1.00 0.64 C ATOM 1307 CD2 TYR A 99 6.610 -7.841 3.503 1.00 0.98 C ATOM 1308 CE1 TYR A 99 4.307 -9.321 3.190 1.00 0.71 C ATOM 1309 CE2 TYR A 99 6.349 -8.891 4.350 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.430 -9.773 4.059 1.00 0.72 C ATOM 1311 OH TYR A 99 4.932 -10.689 5.029 1.00 0.92 O ATOM 0 H TYR A 99 3.566 -6.256 0.920 1.00 0.35 H new ATOM 0 HA TYR A 99 4.971 -4.902 2.912 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.810 -6.611 0.551 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.982 -5.979 1.691 1.00 0.30 H new ATOM 0 HD1 TYR A 99 3.855 -8.009 1.578 1.00 0.64 H new ATOM 0 HD2 TYR A 99 7.518 -7.270 3.629 1.00 0.98 H new ATOM 0 HE1 TYR A 99 3.340 -9.802 3.216 1.00 0.71 H new ATOM 0 HE2 TYR A 99 6.910 -8.988 5.267 1.00 1.11 H new ATOM 0 HH TYR A 99 4.174 -11.183 4.653 1.00 0.92 H new ATOM 1321 N TYR A 100 5.456 -3.807 -0.171 1.00 0.34 N ATOM 1322 CA TYR A 100 5.978 -2.725 -1.003 1.00 0.37 C ATOM 1323 C TYR A 100 5.450 -1.370 -0.519 1.00 0.39 C ATOM 1324 O TYR A 100 6.178 -0.376 -0.510 1.00 0.42 O ATOM 1325 CB TYR A 100 5.561 -2.978 -2.455 1.00 0.42 C ATOM 1326 CG TYR A 100 6.439 -2.332 -3.509 1.00 0.43 C ATOM 1327 CD1 TYR A 100 7.629 -2.931 -3.915 1.00 0.46 C ATOM 1328 CD2 TYR A 100 6.058 -1.149 -4.128 1.00 0.51 C ATOM 1329 CE1 TYR A 100 8.411 -2.368 -4.909 1.00 0.55 C ATOM 1330 CE2 TYR A 100 6.838 -0.579 -5.116 1.00 0.60 C ATOM 1331 CZ TYR A 100 8.009 -1.193 -5.504 1.00 0.60 C ATOM 1332 OH TYR A 100 8.772 -0.639 -6.505 1.00 0.73 O ATOM 0 H TYR A 100 4.929 -4.509 -0.691 1.00 0.34 H new ATOM 0 HA TYR A 100 7.065 -2.701 -0.933 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.547 -4.054 -2.628 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.540 -2.621 -2.589 1.00 0.42 H new ATOM 0 HD1 TYR A 100 7.947 -3.851 -3.446 1.00 0.46 H new ATOM 0 HD2 TYR A 100 5.138 -0.667 -3.833 1.00 0.51 H new ATOM 0 HE1 TYR A 100 9.329 -2.847 -5.215 1.00 0.55 H new ATOM 0 HE2 TYR A 100 6.531 0.345 -5.583 1.00 0.60 H new ATOM 0 HH TYR A 100 8.485 -0.997 -7.371 1.00 0.73 H new ATOM 1342 N ARG A 101 4.183 -1.345 -0.104 1.00 0.41 N ATOM 1343 CA ARG A 101 3.578 -0.131 0.446 1.00 0.46 C ATOM 1344 C ARG A 101 4.272 0.262 1.747 1.00 0.43 C ATOM 1345 O ARG A 101 4.615 1.427 1.959 1.00 0.46 O ATOM 1346 CB ARG A 101 2.090 -0.338 0.740 1.00 0.53 C ATOM 1347 CG ARG A 101 1.262 -0.815 -0.437 1.00 0.82 C ATOM 1348 CD ARG A 101 -0.153 -1.132 0.008 1.00 1.06 C ATOM 1349 NE ARG A 101 -0.910 -1.871 -0.998 1.00 1.18 N ATOM 1350 CZ ARG A 101 -1.643 -2.950 -0.729 1.00 1.58 C ATOM 1351 NH1 ARG A 101 -1.692 -3.425 0.511 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -2.327 -3.553 -1.693 1.00 1.89 N ATOM 0 H ARG A 101 3.557 -2.149 -0.138 1.00 0.41 H new ATOM 0 HA ARG A 101 3.694 0.656 -0.299 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.993 -1.061 1.550 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.673 0.602 1.101 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.244 -0.048 -1.212 1.00 0.82 H new ATOM 0 HG3 ARG A 101 1.719 -1.701 -0.877 1.00 0.82 H new ATOM 0 HD2 ARG A 101 -0.118 -1.714 0.929 1.00 1.06 H new ATOM 0 HD3 ARG A 101 -0.674 -0.202 0.238 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.876 -1.542 -1.963 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -1.169 -2.963 1.255 1.00 2.34 H new ATOM 0 HH12 ARG A 101 -2.253 -4.251 0.719 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -2.293 -3.191 -2.646 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -2.887 -4.379 -1.481 1.00 1.89 H new ATOM 1366 N ARG A 102 4.467 -0.731 2.612 1.00 0.41 N ATOM 1367 CA ARG A 102 5.083 -0.520 3.918 1.00 0.43 C ATOM 1368 C ARG A 102 6.485 0.057 3.751 1.00 0.37 C ATOM 1369 O ARG A 102 6.857 1.025 4.416 1.00 0.38 O ATOM 1370 CB ARG A 102 5.144 -1.845 4.688 1.00 0.52 C ATOM 1371 CG ARG A 102 5.542 -1.694 6.146 1.00 0.87 C ATOM 1372 CD ARG A 102 5.686 -3.045 6.822 1.00 1.12 C ATOM 1373 NE ARG A 102 5.855 -2.930 8.269 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.966 -3.283 8.912 1.00 2.58 C ATOM 1375 NH1 ARG A 102 8.027 -3.693 8.235 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.029 -3.216 10.236 1.00 3.57 N ATOM 0 H ARG A 102 4.204 -1.699 2.428 1.00 0.41 H new ATOM 0 HA ARG A 102 4.479 0.189 4.483 1.00 0.43 H new ATOM 0 HB2 ARG A 102 4.169 -2.329 4.636 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.855 -2.508 4.195 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.484 -1.149 6.213 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.792 -1.101 6.670 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.805 -3.650 6.609 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.543 -3.570 6.400 1.00 1.12 H new ATOM 0 HE ARG A 102 5.079 -2.559 8.817 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.995 -3.739 7.217 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.876 -3.962 8.732 1.00 2.78 H new ATOM 0 HH21 ARG A 102 6.222 -2.892 10.769 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.884 -3.489 10.720 1.00 3.57 H new ATOM 1390 N ALA A 103 7.241 -0.530 2.835 1.00 0.34 N ATOM 1391 CA ALA A 103 8.587 -0.070 2.539 1.00 0.32 C ATOM 1392 C ALA A 103 8.583 1.384 2.079 1.00 0.33 C ATOM 1393 O ALA A 103 9.423 2.180 2.498 1.00 0.35 O ATOM 1394 CB ALA A 103 9.218 -0.954 1.481 1.00 0.33 C ATOM 0 H ALA A 103 6.941 -1.332 2.281 1.00 0.34 H new ATOM 0 HA ALA A 103 9.177 -0.132 3.454 1.00 0.32 H new ATOM 0 HB1 ALA A 103 10.227 -0.601 1.266 1.00 0.33 H new ATOM 0 HB2 ALA A 103 9.263 -1.981 1.844 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.619 -0.917 0.571 1.00 0.33 H new ATOM 1400 N ALA A 104 7.621 1.730 1.228 1.00 0.33 N ATOM 1401 CA ALA A 104 7.507 3.085 0.712 1.00 0.35 C ATOM 1402 C ALA A 104 7.237 4.071 1.840 1.00 0.35 C ATOM 1403 O ALA A 104 7.826 5.151 1.885 1.00 0.38 O ATOM 1404 CB ALA A 104 6.409 3.162 -0.337 1.00 0.39 C ATOM 0 H ALA A 104 6.909 1.087 0.882 1.00 0.33 H new ATOM 0 HA ALA A 104 8.454 3.354 0.244 1.00 0.35 H new ATOM 0 HB1 ALA A 104 6.336 4.182 -0.713 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.644 2.488 -1.160 1.00 0.39 H new ATOM 0 HB3 ALA A 104 5.458 2.871 0.110 1.00 0.39 H new ATOM 1410 N SER A 105 6.363 3.687 2.761 1.00 0.34 N ATOM 1411 CA SER A 105 6.041 4.534 3.894 1.00 0.36 C ATOM 1412 C SER A 105 7.259 4.686 4.802 1.00 0.34 C ATOM 1413 O SER A 105 7.506 5.762 5.346 1.00 0.33 O ATOM 1414 CB SER A 105 4.857 3.966 4.673 1.00 0.40 C ATOM 1415 OG SER A 105 4.135 5.005 5.301 1.00 0.64 O ATOM 0 H SER A 105 5.867 2.796 2.743 1.00 0.34 H new ATOM 0 HA SER A 105 5.760 5.519 3.521 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.201 3.415 3.999 1.00 0.40 H new ATOM 0 HB3 SER A 105 5.212 3.258 5.422 1.00 0.40 H new ATOM 0 HG SER A 105 4.754 5.580 5.797 1.00 0.64 H new ATOM 1421 N ASN A 106 8.032 3.613 4.941 1.00 0.36 N ATOM 1422 CA ASN A 106 9.263 3.653 5.725 1.00 0.37 C ATOM 1423 C ASN A 106 10.289 4.575 5.074 1.00 0.36 C ATOM 1424 O ASN A 106 10.927 5.380 5.755 1.00 0.37 O ATOM 1425 CB ASN A 106 9.841 2.245 5.900 1.00 0.40 C ATOM 1426 CG ASN A 106 9.294 1.538 7.127 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.996 2.175 8.137 1.00 1.09 O ATOM 1428 ND2 ASN A 106 9.157 0.221 7.056 1.00 1.32 N ATOM 0 H ASN A 106 7.828 2.706 4.522 1.00 0.36 H new ATOM 0 HA ASN A 106 9.023 4.050 6.711 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.617 1.652 5.013 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.927 2.309 5.976 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.794 -0.298 7.856 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.415 -0.273 6.202 1.00 1.32 H new ATOM 1435 N MET A 107 10.431 4.473 3.755 1.00 0.38 N ATOM 1436 CA MET A 107 11.325 5.357 3.005 1.00 0.40 C ATOM 1437 C MET A 107 10.882 6.808 3.154 1.00 0.40 C ATOM 1438 O MET A 107 11.706 7.712 3.294 1.00 0.45 O ATOM 1439 CB MET A 107 11.350 4.985 1.517 1.00 0.46 C ATOM 1440 CG MET A 107 12.005 3.648 1.221 1.00 0.44 C ATOM 1441 SD MET A 107 13.771 3.632 1.581 1.00 1.26 S ATOM 1442 CE MET A 107 14.393 4.665 0.256 1.00 0.70 C ATOM 0 H MET A 107 9.939 3.788 3.182 1.00 0.38 H new ATOM 0 HA MET A 107 12.329 5.237 3.413 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.327 4.967 1.141 1.00 0.46 H new ATOM 0 HB3 MET A 107 11.877 5.765 0.968 1.00 0.46 H new ATOM 0 HG2 MET A 107 11.514 2.872 1.807 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.852 3.400 0.171 1.00 0.44 H new ATOM 0 HE1 MET A 107 15.186 4.138 -0.275 1.00 0.70 H new ATOM 0 HE2 MET A 107 13.583 4.895 -0.437 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.789 5.591 0.672 1.00 0.70 H new ATOM 1452 N ALA A 108 9.570 7.011 3.129 1.00 0.36 N ATOM 1453 CA ALA A 108 8.986 8.340 3.258 1.00 0.38 C ATOM 1454 C ALA A 108 9.227 8.918 4.651 1.00 0.39 C ATOM 1455 O ALA A 108 9.552 10.099 4.794 1.00 0.43 O ATOM 1456 CB ALA A 108 7.496 8.279 2.950 1.00 0.38 C ATOM 0 H ALA A 108 8.885 6.263 3.019 1.00 0.36 H new ATOM 0 HA ALA A 108 9.471 9.002 2.541 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.063 9.275 3.048 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.349 7.918 1.932 1.00 0.38 H new ATOM 0 HB3 ALA A 108 7.007 7.601 3.650 1.00 0.38 H new ATOM 1462 N LEU A 109 9.073 8.080 5.670 1.00 0.38 N ATOM 1463 CA LEU A 109 9.292 8.495 7.051 1.00 0.40 C ATOM 1464 C LEU A 109 10.766 8.775 7.315 1.00 0.43 C ATOM 1465 O LEU A 109 11.113 9.772 7.947 1.00 0.65 O ATOM 1466 CB LEU A 109 8.792 7.418 8.017 1.00 0.38 C ATOM 1467 CG LEU A 109 7.275 7.223 8.050 1.00 0.48 C ATOM 1468 CD1 LEU A 109 6.914 5.992 8.867 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.595 8.456 8.626 1.00 0.82 C ATOM 0 H LEU A 109 8.796 7.104 5.565 1.00 0.38 H new ATOM 0 HA LEU A 109 8.731 9.415 7.214 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.258 6.469 7.750 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.132 7.669 9.022 1.00 0.38 H new ATOM 0 HG LEU A 109 6.924 7.076 7.029 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.831 5.869 8.880 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.374 5.111 8.420 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.277 6.113 9.887 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.516 8.302 8.643 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.953 8.628 9.641 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.828 9.323 8.007 1.00 0.82 H new ATOM 1481 N GLY A 110 11.626 7.900 6.819 1.00 0.39 N ATOM 1482 CA GLY A 110 13.050 8.045 7.053 1.00 0.41 C ATOM 1483 C GLY A 110 13.674 6.760 7.553 1.00 0.39 C ATOM 1484 O GLY A 110 14.888 6.669 7.726 1.00 0.47 O ATOM 0 H GLY A 110 11.365 7.090 6.257 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.540 8.351 6.129 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.219 8.838 7.781 1.00 0.41 H new ATOM 1488 N LYS A 111 12.837 5.761 7.780 1.00 0.36 N ATOM 1489 CA LYS A 111 13.299 4.457 8.229 1.00 0.38 C ATOM 1490 C LYS A 111 13.808 3.641 7.048 1.00 0.30 C ATOM 1491 O LYS A 111 13.209 2.635 6.675 1.00 0.32 O ATOM 1492 CB LYS A 111 12.171 3.708 8.941 1.00 0.53 C ATOM 1493 CG LYS A 111 11.782 4.315 10.278 1.00 0.74 C ATOM 1494 CD LYS A 111 10.505 3.697 10.833 1.00 0.54 C ATOM 1495 CE LYS A 111 10.654 2.206 11.093 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.751 1.913 12.051 1.00 1.73 N ATOM 0 H LYS A 111 11.826 5.829 7.660 1.00 0.36 H new ATOM 0 HA LYS A 111 14.119 4.603 8.933 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.295 3.688 8.293 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.476 2.673 9.097 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.594 4.173 10.991 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.644 5.390 10.162 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.233 4.200 11.761 1.00 0.54 H new ATOM 0 HD3 LYS A 111 9.688 3.862 10.130 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.716 1.811 11.484 1.00 1.22 H new ATOM 0 HE3 LYS A 111 10.848 1.692 10.152 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.700 0.916 12.343 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.668 2.094 11.595 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 11.654 2.524 12.887 1.00 1.73 H new ATOM 1510 N PHE A 112 14.907 4.094 6.455 1.00 0.30 N ATOM 1511 CA PHE A 112 15.489 3.429 5.294 1.00 0.29 C ATOM 1512 C PHE A 112 15.853 1.985 5.614 1.00 0.30 C ATOM 1513 O PHE A 112 15.592 1.088 4.824 1.00 0.34 O ATOM 1514 CB PHE A 112 16.724 4.190 4.807 1.00 0.35 C ATOM 1515 CG PHE A 112 16.444 5.627 4.476 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.708 5.960 3.352 1.00 0.41 C ATOM 1517 CD2 PHE A 112 16.912 6.643 5.293 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.445 7.281 3.047 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.651 7.964 4.994 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.917 8.283 3.870 1.00 0.53 C ATOM 0 H PHE A 112 15.415 4.924 6.761 1.00 0.30 H new ATOM 0 HA PHE A 112 14.742 3.423 4.500 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.496 4.145 5.575 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.124 3.692 3.924 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.335 5.178 2.707 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.487 6.398 6.174 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.871 7.529 2.166 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.021 8.748 5.639 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.712 9.317 3.634 1.00 0.53 H new ATOM 1530 N ARG A 113 16.434 1.763 6.786 1.00 0.34 N ATOM 1531 CA ARG A 113 16.815 0.416 7.198 1.00 0.38 C ATOM 1532 C ARG A 113 15.594 -0.494 7.273 1.00 0.34 C ATOM 1533 O ARG A 113 15.625 -1.635 6.812 1.00 0.34 O ATOM 1534 CB ARG A 113 17.501 0.446 8.557 1.00 0.49 C ATOM 1535 CG ARG A 113 18.793 1.247 8.594 1.00 1.21 C ATOM 1536 CD ARG A 113 19.876 0.587 7.757 1.00 1.58 C ATOM 1537 NE ARG A 113 21.174 1.243 7.908 1.00 2.42 N ATOM 1538 CZ ARG A 113 22.306 0.588 8.180 1.00 3.14 C ATOM 1539 NH1 ARG A 113 22.276 -0.714 8.447 1.00 3.25 N ATOM 1540 NH2 ARG A 113 23.458 1.241 8.225 1.00 4.15 N ATOM 0 H ARG A 113 16.651 2.492 7.465 1.00 0.34 H new ATOM 0 HA ARG A 113 17.507 0.025 6.452 1.00 0.38 H new ATOM 0 HB2 ARG A 113 16.809 0.862 9.290 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.714 -0.578 8.865 1.00 0.49 H new ATOM 0 HG2 ARG A 113 18.609 2.256 8.224 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.135 1.343 9.625 1.00 1.21 H new ATOM 0 HD2 ARG A 113 19.966 -0.461 8.044 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.582 0.606 6.707 1.00 1.58 H new ATOM 0 HE ARG A 113 21.217 2.256 7.800 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.387 -1.215 8.444 1.00 3.25 H new ATOM 0 HH12 ARG A 113 23.142 -1.212 8.654 1.00 3.25 H new ATOM 0 HH21 ARG A 113 23.482 2.246 8.052 1.00 4.15 H new ATOM 0 HH22 ARG A 113 24.321 0.739 8.433 1.00 4.15 H new ATOM 1554 N ALA A 114 14.517 0.022 7.854 1.00 0.34 N ATOM 1555 CA ALA A 114 13.279 -0.733 7.968 1.00 0.34 C ATOM 1556 C ALA A 114 12.710 -1.025 6.589 1.00 0.28 C ATOM 1557 O ALA A 114 12.311 -2.153 6.297 1.00 0.30 O ATOM 1558 CB ALA A 114 12.266 0.025 8.811 1.00 0.40 C ATOM 0 H ALA A 114 14.478 0.960 8.253 1.00 0.34 H new ATOM 0 HA ALA A 114 13.496 -1.680 8.462 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.347 -0.556 8.885 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.673 0.189 9.809 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.051 0.987 8.345 1.00 0.40 H new ATOM 1564 N ALA A 115 12.716 -0.006 5.734 1.00 0.26 N ATOM 1565 CA ALA A 115 12.199 -0.131 4.379 1.00 0.23 C ATOM 1566 C ALA A 115 13.023 -1.124 3.587 1.00 0.23 C ATOM 1567 O ALA A 115 12.501 -1.850 2.741 1.00 0.25 O ATOM 1568 CB ALA A 115 12.211 1.219 3.690 1.00 0.23 C ATOM 0 H ALA A 115 13.077 0.921 5.960 1.00 0.26 H new ATOM 0 HA ALA A 115 11.173 -0.494 4.432 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.822 1.114 2.677 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.587 1.918 4.248 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.232 1.598 3.649 1.00 0.23 H new ATOM 1574 N LEU A 116 14.315 -1.144 3.870 1.00 0.24 N ATOM 1575 CA LEU A 116 15.223 -2.079 3.240 1.00 0.28 C ATOM 1576 C LEU A 116 14.791 -3.501 3.529 1.00 0.29 C ATOM 1577 O LEU A 116 14.800 -4.346 2.645 1.00 0.30 O ATOM 1578 CB LEU A 116 16.650 -1.883 3.742 1.00 0.32 C ATOM 1579 CG LEU A 116 17.690 -2.729 3.009 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.762 -2.331 1.546 1.00 0.47 C ATOM 1581 CD2 LEU A 116 19.048 -2.606 3.667 1.00 0.49 C ATOM 0 H LEU A 116 14.759 -0.515 4.539 1.00 0.24 H new ATOM 0 HA LEU A 116 15.197 -1.894 2.166 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.918 -0.831 3.643 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.686 -2.122 4.805 1.00 0.32 H new ATOM 0 HG LEU A 116 17.383 -3.773 3.067 1.00 0.40 H new ATOM 0 HD11 LEU A 116 18.508 -2.943 1.039 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.789 -2.483 1.079 1.00 0.47 H new ATOM 0 HD13 LEU A 116 18.041 -1.280 1.468 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.771 -3.217 3.127 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.368 -1.564 3.649 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.984 -2.948 4.700 1.00 0.49 H new ATOM 1593 N ARG A 117 14.394 -3.749 4.767 1.00 0.34 N ATOM 1594 CA ARG A 117 13.971 -5.080 5.176 1.00 0.40 C ATOM 1595 C ARG A 117 12.684 -5.460 4.458 1.00 0.34 C ATOM 1596 O ARG A 117 12.455 -6.628 4.141 1.00 0.35 O ATOM 1597 CB ARG A 117 13.766 -5.142 6.689 1.00 0.57 C ATOM 1598 CG ARG A 117 15.011 -4.816 7.490 1.00 0.70 C ATOM 1599 CD ARG A 117 14.735 -4.885 8.980 1.00 1.01 C ATOM 1600 NE ARG A 117 15.901 -4.497 9.771 1.00 1.90 N ATOM 1601 CZ ARG A 117 15.995 -4.656 11.090 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.028 -5.269 11.759 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.072 -4.222 11.738 1.00 3.56 N ATOM 0 H ARG A 117 14.356 -3.047 5.506 1.00 0.34 H new ATOM 0 HA ARG A 117 14.754 -5.789 4.906 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.974 -4.447 6.968 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.423 -6.141 6.959 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.807 -5.515 7.232 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.365 -3.819 7.228 1.00 0.70 H new ATOM 0 HD2 ARG A 117 13.897 -4.232 9.224 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.437 -5.899 9.247 1.00 1.01 H new ATOM 0 HE ARG A 117 16.692 -4.078 9.282 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.209 -5.621 11.263 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.104 -5.389 12.769 1.00 2.45 H new ATOM 0 HH21 ARG A 117 17.827 -3.767 11.225 1.00 3.56 H new ATOM 0 HH22 ARG A 117 17.143 -4.344 12.748 1.00 3.56 H new ATOM 1617 N ASP A 118 11.861 -4.457 4.186 1.00 0.33 N ATOM 1618 CA ASP A 118 10.610 -4.666 3.481 1.00 0.33 C ATOM 1619 C ASP A 118 10.889 -4.977 2.017 1.00 0.28 C ATOM 1620 O ASP A 118 10.441 -5.998 1.495 1.00 0.31 O ATOM 1621 CB ASP A 118 9.714 -3.431 3.584 1.00 0.40 C ATOM 1622 CG ASP A 118 9.276 -3.118 5.001 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.705 -4.007 5.668 1.00 0.77 O ATOM 1624 OD2 ASP A 118 9.494 -1.974 5.450 1.00 1.06 O ATOM 0 H ASP A 118 12.041 -3.487 4.445 1.00 0.33 H new ATOM 0 HA ASP A 118 10.092 -5.508 3.941 1.00 0.33 H new ATOM 0 HB2 ASP A 118 10.247 -2.571 3.178 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.830 -3.580 2.964 1.00 0.40 H new ATOM 1629 N TYR A 119 11.656 -4.101 1.371 1.00 0.24 N ATOM 1630 CA TYR A 119 12.046 -4.291 -0.023 1.00 0.26 C ATOM 1631 C TYR A 119 12.815 -5.592 -0.197 1.00 0.28 C ATOM 1632 O TYR A 119 12.630 -6.306 -1.182 1.00 0.33 O ATOM 1633 CB TYR A 119 12.918 -3.135 -0.514 1.00 0.28 C ATOM 1634 CG TYR A 119 12.180 -1.837 -0.733 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.997 -1.796 -1.458 1.00 0.38 C ATOM 1636 CD2 TYR A 119 12.680 -0.650 -0.223 1.00 0.38 C ATOM 1637 CE1 TYR A 119 10.332 -0.603 -1.667 1.00 0.46 C ATOM 1638 CE2 TYR A 119 12.025 0.546 -0.430 1.00 0.47 C ATOM 1639 CZ TYR A 119 10.852 0.565 -1.153 1.00 0.50 C ATOM 1640 OH TYR A 119 10.203 1.761 -1.365 1.00 0.60 O ATOM 0 H TYR A 119 12.021 -3.248 1.795 1.00 0.24 H new ATOM 0 HA TYR A 119 11.129 -4.326 -0.612 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.715 -2.966 0.210 1.00 0.28 H new ATOM 0 HB3 TYR A 119 13.394 -3.429 -1.450 1.00 0.28 H new ATOM 0 HD1 TYR A 119 10.590 -2.710 -1.865 1.00 0.38 H new ATOM 0 HD2 TYR A 119 13.598 -0.661 0.346 1.00 0.38 H new ATOM 0 HE1 TYR A 119 9.410 -0.586 -2.230 1.00 0.46 H new ATOM 0 HE2 TYR A 119 12.429 1.463 -0.027 1.00 0.47 H new ATOM 0 HH TYR A 119 9.239 1.601 -1.444 1.00 0.60 H new ATOM 1650 N GLU A 120 13.676 -5.888 0.766 1.00 0.28 N ATOM 1651 CA GLU A 120 14.483 -7.091 0.726 1.00 0.34 C ATOM 1652 C GLU A 120 13.589 -8.315 0.737 1.00 0.37 C ATOM 1653 O GLU A 120 13.781 -9.235 -0.042 1.00 0.43 O ATOM 1654 CB GLU A 120 15.444 -7.142 1.911 1.00 0.36 C ATOM 1655 CG GLU A 120 16.622 -8.071 1.678 1.00 0.42 C ATOM 1656 CD GLU A 120 17.588 -8.112 2.841 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.356 -8.902 3.784 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.598 -7.385 2.807 1.00 0.58 O ATOM 0 H GLU A 120 13.832 -5.305 1.588 1.00 0.28 H new ATOM 0 HA GLU A 120 15.069 -7.079 -0.193 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.815 -6.138 2.115 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.901 -7.467 2.798 1.00 0.36 H new ATOM 0 HG2 GLU A 120 16.250 -9.078 1.487 1.00 0.42 H new ATOM 0 HG3 GLU A 120 17.155 -7.753 0.782 1.00 0.42 H new ATOM 1665 N THR A 121 12.602 -8.311 1.617 1.00 0.36 N ATOM 1666 CA THR A 121 11.644 -9.400 1.687 1.00 0.40 C ATOM 1667 C THR A 121 10.896 -9.541 0.361 1.00 0.40 C ATOM 1668 O THR A 121 10.677 -10.652 -0.127 1.00 0.45 O ATOM 1669 CB THR A 121 10.653 -9.176 2.841 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.373 -9.077 4.076 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.644 -10.308 2.932 1.00 0.47 C ATOM 0 H THR A 121 12.443 -7.564 2.294 1.00 0.36 H new ATOM 0 HA THR A 121 12.189 -10.324 1.877 1.00 0.40 H new ATOM 0 HB THR A 121 10.110 -8.251 2.648 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.965 -8.297 4.048 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.958 -10.119 3.758 1.00 0.47 H new ATOM 0 HG22 THR A 121 9.082 -10.370 2.000 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.167 -11.249 3.103 1.00 0.47 H new ATOM 1679 N VAL A 122 10.541 -8.406 -0.232 1.00 0.37 N ATOM 1680 CA VAL A 122 9.893 -8.387 -1.537 1.00 0.39 C ATOM 1681 C VAL A 122 10.779 -9.059 -2.587 1.00 0.44 C ATOM 1682 O VAL A 122 10.315 -9.889 -3.372 1.00 0.50 O ATOM 1683 CB VAL A 122 9.581 -6.942 -1.987 1.00 0.38 C ATOM 1684 CG1 VAL A 122 9.001 -6.919 -3.389 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.627 -6.266 -1.016 1.00 0.36 C ATOM 0 H VAL A 122 10.693 -7.483 0.174 1.00 0.37 H new ATOM 0 HA VAL A 122 8.957 -8.937 -1.443 1.00 0.39 H new ATOM 0 HB VAL A 122 10.521 -6.389 -1.994 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.791 -5.889 -3.679 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.717 -7.354 -4.086 1.00 0.43 H new ATOM 0 HG13 VAL A 122 8.077 -7.497 -3.410 1.00 0.43 H new ATOM 0 HG21 VAL A 122 8.423 -5.250 -1.354 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.694 -6.828 -0.972 1.00 0.36 H new ATOM 0 HG23 VAL A 122 9.079 -6.234 -0.025 1.00 0.36 H new ATOM 1695 N VAL A 123 12.062 -8.715 -2.577 1.00 0.44 N ATOM 1696 CA VAL A 123 12.993 -9.225 -3.574 1.00 0.51 C ATOM 1697 C VAL A 123 13.457 -10.646 -3.229 1.00 0.57 C ATOM 1698 O VAL A 123 14.045 -11.333 -4.059 1.00 0.67 O ATOM 1699 CB VAL A 123 14.205 -8.279 -3.747 1.00 0.50 C ATOM 1700 CG1 VAL A 123 15.203 -8.429 -2.612 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.872 -8.492 -5.097 1.00 0.59 C ATOM 0 H VAL A 123 12.479 -8.086 -1.891 1.00 0.44 H new ATOM 0 HA VAL A 123 12.461 -9.267 -4.524 1.00 0.51 H new ATOM 0 HB VAL A 123 13.829 -7.256 -3.713 1.00 0.50 H new ATOM 0 HG11 VAL A 123 16.039 -7.748 -2.770 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.716 -8.192 -1.666 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.571 -9.455 -2.584 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.721 -7.815 -5.194 1.00 0.59 H new ATOM 0 HG22 VAL A 123 15.219 -9.523 -5.173 1.00 0.59 H new ATOM 0 HG23 VAL A 123 14.155 -8.291 -5.893 1.00 0.59 H new ATOM 1711 N LYS A 124 13.194 -11.083 -1.998 1.00 0.55 N ATOM 1712 CA LYS A 124 13.428 -12.473 -1.619 1.00 0.61 C ATOM 1713 C LYS A 124 12.384 -13.355 -2.283 1.00 0.63 C ATOM 1714 O LYS A 124 12.669 -14.475 -2.713 1.00 0.72 O ATOM 1715 CB LYS A 124 13.341 -12.665 -0.100 1.00 0.62 C ATOM 1716 CG LYS A 124 14.418 -11.961 0.703 1.00 0.67 C ATOM 1717 CD LYS A 124 14.182 -12.140 2.195 1.00 0.75 C ATOM 1718 CE LYS A 124 14.944 -11.117 3.021 1.00 0.67 C ATOM 1719 NZ LYS A 124 16.418 -11.286 2.929 1.00 1.07 N ATOM 0 H LYS A 124 12.821 -10.497 -1.251 1.00 0.55 H new ATOM 0 HA LYS A 124 14.431 -12.747 -1.945 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.368 -12.311 0.240 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.386 -13.732 0.118 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.397 -12.359 0.435 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.427 -10.899 0.456 1.00 0.67 H new ATOM 0 HD2 LYS A 124 13.116 -12.054 2.406 1.00 0.75 H new ATOM 0 HD3 LYS A 124 14.486 -13.144 2.492 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.676 -10.115 2.687 1.00 0.67 H new ATOM 0 HE3 LYS A 124 14.638 -11.198 4.064 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 16.888 -10.532 3.470 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 16.686 -12.212 3.320 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 16.712 -11.232 1.933 1.00 1.07 H new ATOM 1733 N VAL A 125 11.168 -12.829 -2.367 1.00 0.59 N ATOM 1734 CA VAL A 125 10.041 -13.571 -2.914 1.00 0.63 C ATOM 1735 C VAL A 125 10.089 -13.611 -4.439 1.00 0.69 C ATOM 1736 O VAL A 125 9.876 -14.662 -5.048 1.00 0.75 O ATOM 1737 CB VAL A 125 8.699 -12.968 -2.444 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.519 -13.673 -3.094 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.590 -13.045 -0.930 1.00 0.59 C ATOM 0 H VAL A 125 10.937 -11.884 -2.060 1.00 0.59 H new ATOM 0 HA VAL A 125 10.115 -14.592 -2.541 1.00 0.63 H new ATOM 0 HB VAL A 125 8.675 -11.922 -2.750 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.589 -13.225 -2.743 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.585 -13.570 -4.177 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.536 -14.730 -2.829 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.640 -12.617 -0.611 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.643 -14.087 -0.614 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.409 -12.487 -0.477 1.00 0.59 H new ATOM 1749 N LYS A 126 10.382 -12.474 -5.056 1.00 0.68 N ATOM 1750 CA LYS A 126 10.456 -12.402 -6.507 1.00 0.76 C ATOM 1751 C LYS A 126 11.675 -11.600 -6.967 1.00 0.75 C ATOM 1752 O LYS A 126 11.569 -10.441 -7.360 1.00 0.73 O ATOM 1753 CB LYS A 126 9.144 -11.864 -7.118 1.00 0.80 C ATOM 1754 CG LYS A 126 8.325 -10.939 -6.218 1.00 0.73 C ATOM 1755 CD LYS A 126 8.595 -9.472 -6.495 1.00 0.71 C ATOM 1756 CE LYS A 126 7.330 -8.642 -6.326 1.00 0.73 C ATOM 1757 NZ LYS A 126 7.538 -7.205 -6.657 1.00 1.12 N ATOM 0 H LYS A 126 10.571 -11.594 -4.576 1.00 0.68 H new ATOM 0 HA LYS A 126 10.584 -13.419 -6.879 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.385 -11.328 -8.036 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.521 -12.713 -7.399 1.00 0.80 H new ATOM 0 HG2 LYS A 126 7.264 -11.143 -6.362 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.553 -11.157 -5.175 1.00 0.73 H new ATOM 0 HD2 LYS A 126 9.367 -9.107 -5.818 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.979 -9.354 -7.509 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.546 -9.048 -6.965 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.979 -8.727 -5.297 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.635 -6.783 -6.955 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.894 -6.704 -5.818 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 8.230 -7.123 -7.429 1.00 1.12 H new ATOM 1771 N PRO A 127 12.860 -12.238 -6.909 1.00 0.80 N ATOM 1772 CA PRO A 127 14.130 -11.633 -7.334 1.00 0.83 C ATOM 1773 C PRO A 127 14.179 -11.378 -8.838 1.00 0.92 C ATOM 1774 O PRO A 127 14.887 -10.487 -9.306 1.00 0.96 O ATOM 1775 CB PRO A 127 15.196 -12.672 -6.960 1.00 0.87 C ATOM 1776 CG PRO A 127 14.515 -13.690 -6.110 1.00 0.97 C ATOM 1777 CD PRO A 127 13.045 -13.603 -6.399 1.00 0.86 C ATOM 0 HA PRO A 127 14.275 -10.663 -6.858 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.619 -13.132 -7.853 1.00 0.87 H new ATOM 0 HB3 PRO A 127 16.020 -12.205 -6.421 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.891 -14.689 -6.331 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.711 -13.502 -5.054 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.738 -14.348 -7.133 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.451 -13.777 -5.502 1.00 0.86 H new ATOM 1785 N HIS A 128 13.437 -12.181 -9.589 1.00 0.99 N ATOM 1786 CA HIS A 128 13.360 -12.023 -11.041 1.00 1.12 C ATOM 1787 C HIS A 128 12.554 -10.780 -11.403 1.00 1.04 C ATOM 1788 O HIS A 128 12.648 -10.271 -12.517 1.00 1.11 O ATOM 1789 CB HIS A 128 12.719 -13.256 -11.696 1.00 1.33 C ATOM 1790 CG HIS A 128 11.262 -13.425 -11.378 1.00 2.00 C ATOM 1791 ND1 HIS A 128 10.258 -13.208 -12.300 1.00 2.75 N ATOM 1792 CD2 HIS A 128 10.641 -13.778 -10.229 1.00 2.49 C ATOM 1793 CE1 HIS A 128 9.088 -13.418 -11.729 1.00 3.56 C ATOM 1794 NE2 HIS A 128 9.293 -13.763 -10.473 1.00 3.37 N ATOM 0 H HIS A 128 12.878 -12.950 -9.219 1.00 0.99 H new ATOM 0 HA HIS A 128 14.378 -11.914 -11.416 1.00 1.12 H new ATOM 0 HB2 HIS A 128 12.839 -13.185 -12.777 1.00 1.33 H new ATOM 0 HB3 HIS A 128 13.257 -14.147 -11.374 1.00 1.33 H new ATOM 0 HD2 HIS A 128 11.119 -14.026 -9.293 1.00 2.49 H new ATOM 0 HE1 HIS A 128 8.125 -13.323 -12.209 1.00 3.56 H new ATOM 0 HE2 HIS A 128 8.565 -13.983 -9.793 1.00 3.37 H new ATOM 1803 N ASP A 129 11.765 -10.296 -10.454 1.00 0.92 N ATOM 1804 CA ASP A 129 10.849 -9.198 -10.714 1.00 0.89 C ATOM 1805 C ASP A 129 11.534 -7.849 -10.538 1.00 0.83 C ATOM 1806 O ASP A 129 11.989 -7.503 -9.447 1.00 0.80 O ATOM 1807 CB ASP A 129 9.629 -9.301 -9.807 1.00 0.89 C ATOM 1808 CG ASP A 129 8.753 -8.075 -9.883 1.00 0.89 C ATOM 1809 OD1 ASP A 129 8.027 -7.916 -10.885 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.796 -7.262 -8.944 1.00 1.11 O ATOM 0 H ASP A 129 11.742 -10.648 -9.497 1.00 0.92 H new ATOM 0 HA ASP A 129 10.523 -9.271 -11.752 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.046 -10.179 -10.085 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.956 -9.448 -8.778 1.00 0.89 H new ATOM 1815 N LYS A 130 11.582 -7.090 -11.626 1.00 0.85 N ATOM 1816 CA LYS A 130 12.276 -5.802 -11.660 1.00 0.89 C ATOM 1817 C LYS A 130 11.663 -4.768 -10.717 1.00 0.84 C ATOM 1818 O LYS A 130 12.302 -3.769 -10.388 1.00 0.84 O ATOM 1819 CB LYS A 130 12.348 -5.249 -13.096 1.00 1.04 C ATOM 1820 CG LYS A 130 11.057 -5.329 -13.917 1.00 1.18 C ATOM 1821 CD LYS A 130 10.074 -4.210 -13.598 1.00 1.44 C ATOM 1822 CE LYS A 130 8.836 -4.722 -12.871 1.00 2.28 C ATOM 1823 NZ LYS A 130 8.162 -5.827 -13.602 1.00 3.05 N ATOM 0 H LYS A 130 11.143 -7.347 -12.510 1.00 0.85 H new ATOM 0 HA LYS A 130 13.288 -5.992 -11.304 1.00 0.89 H new ATOM 0 HB2 LYS A 130 12.658 -4.205 -13.046 1.00 1.04 H new ATOM 0 HB3 LYS A 130 13.129 -5.788 -13.632 1.00 1.04 H new ATOM 0 HG2 LYS A 130 11.306 -5.294 -14.978 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.576 -6.290 -13.734 1.00 1.18 H new ATOM 0 HD2 LYS A 130 10.569 -3.458 -12.984 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.773 -3.718 -14.523 1.00 1.44 H new ATOM 0 HE2 LYS A 130 9.120 -5.068 -11.877 1.00 2.28 H new ATOM 0 HE3 LYS A 130 8.133 -3.900 -12.734 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 7.142 -5.805 -13.401 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 8.316 -5.712 -14.624 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 8.556 -6.739 -13.293 1.00 3.05 H new ATOM 1837 N ASP A 131 10.438 -5.009 -10.279 1.00 0.86 N ATOM 1838 CA ASP A 131 9.758 -4.092 -9.375 1.00 0.90 C ATOM 1839 C ASP A 131 10.326 -4.246 -7.974 1.00 0.77 C ATOM 1840 O ASP A 131 10.607 -3.264 -7.284 1.00 0.80 O ATOM 1841 CB ASP A 131 8.254 -4.375 -9.382 1.00 1.05 C ATOM 1842 CG ASP A 131 7.496 -3.563 -8.358 1.00 1.45 C ATOM 1843 OD1 ASP A 131 7.153 -2.401 -8.656 1.00 1.60 O ATOM 1844 OD2 ASP A 131 7.226 -4.094 -7.259 1.00 1.82 O ATOM 0 H ASP A 131 9.893 -5.832 -10.534 1.00 0.86 H new ATOM 0 HA ASP A 131 9.917 -3.066 -9.707 1.00 0.90 H new ATOM 0 HB2 ASP A 131 7.855 -4.163 -10.374 1.00 1.05 H new ATOM 0 HB3 ASP A 131 8.088 -5.435 -9.192 1.00 1.05 H new ATOM 1849 N ALA A 132 10.515 -5.497 -7.584 1.00 0.69 N ATOM 1850 CA ALA A 132 11.127 -5.828 -6.312 1.00 0.62 C ATOM 1851 C ALA A 132 12.572 -5.371 -6.274 1.00 0.59 C ATOM 1852 O ALA A 132 13.006 -4.726 -5.318 1.00 0.56 O ATOM 1853 CB ALA A 132 11.065 -7.322 -6.081 1.00 0.65 C ATOM 0 H ALA A 132 10.248 -6.309 -8.141 1.00 0.69 H new ATOM 0 HA ALA A 132 10.576 -5.313 -5.525 1.00 0.62 H new ATOM 0 HB1 ALA A 132 11.527 -7.562 -5.123 1.00 0.65 H new ATOM 0 HB2 ALA A 132 10.024 -7.646 -6.073 1.00 0.65 H new ATOM 0 HB3 ALA A 132 11.599 -7.836 -6.880 1.00 0.65 H new ATOM 1859 N LYS A 133 13.306 -5.718 -7.330 1.00 0.63 N ATOM 1860 CA LYS A 133 14.716 -5.378 -7.435 1.00 0.66 C ATOM 1861 C LYS A 133 14.902 -3.886 -7.291 1.00 0.65 C ATOM 1862 O LYS A 133 15.544 -3.433 -6.355 1.00 0.63 O ATOM 1863 CB LYS A 133 15.291 -5.812 -8.787 1.00 0.74 C ATOM 1864 CG LYS A 133 14.984 -7.246 -9.153 1.00 0.75 C ATOM 1865 CD LYS A 133 15.401 -7.563 -10.579 1.00 0.95 C ATOM 1866 CE LYS A 133 16.910 -7.637 -10.722 1.00 1.21 C ATOM 1867 NZ LYS A 133 17.466 -8.847 -10.062 1.00 1.93 N ATOM 0 H LYS A 133 12.940 -6.238 -8.128 1.00 0.63 H new ATOM 0 HA LYS A 133 15.242 -5.903 -6.637 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.898 -5.157 -9.565 1.00 0.74 H new ATOM 0 HB3 LYS A 133 16.372 -5.675 -8.771 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.500 -7.916 -8.465 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.916 -7.431 -9.036 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.960 -8.512 -10.884 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.009 -6.799 -11.251 1.00 0.95 H new ATOM 0 HE2 LYS A 133 17.175 -7.645 -11.779 1.00 1.21 H new ATOM 0 HE3 LYS A 133 17.361 -6.745 -10.287 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 18.030 -8.563 -9.236 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.687 -9.463 -9.754 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 18.070 -9.362 -10.734 1.00 1.93 H new ATOM 1881 N MET A 134 14.285 -3.143 -8.201 1.00 0.68 N ATOM 1882 CA MET A 134 14.513 -1.709 -8.342 1.00 0.72 C ATOM 1883 C MET A 134 14.512 -0.980 -7.006 1.00 0.65 C ATOM 1884 O MET A 134 15.490 -0.327 -6.649 1.00 0.68 O ATOM 1885 CB MET A 134 13.441 -1.096 -9.243 1.00 0.78 C ATOM 1886 CG MET A 134 13.598 0.404 -9.451 1.00 0.84 C ATOM 1887 SD MET A 134 12.322 1.096 -10.524 1.00 0.97 S ATOM 1888 CE MET A 134 12.629 0.196 -12.044 1.00 1.61 C ATOM 0 H MET A 134 13.609 -3.519 -8.866 1.00 0.68 H new ATOM 0 HA MET A 134 15.502 -1.590 -8.786 1.00 0.72 H new ATOM 0 HB2 MET A 134 13.467 -1.593 -10.213 1.00 0.78 H new ATOM 0 HB3 MET A 134 12.460 -1.293 -8.811 1.00 0.78 H new ATOM 0 HG2 MET A 134 13.565 0.906 -8.484 1.00 0.84 H new ATOM 0 HG3 MET A 134 14.578 0.606 -9.882 1.00 0.84 H new ATOM 0 HE1 MET A 134 12.203 0.744 -12.884 1.00 1.61 H new ATOM 0 HE2 MET A 134 13.703 0.085 -12.191 1.00 1.61 H new ATOM 0 HE3 MET A 134 12.168 -0.790 -11.983 1.00 1.61 H new ATOM 1898 N LYS A 135 13.420 -1.098 -6.271 1.00 0.59 N ATOM 1899 CA LYS A 135 13.272 -0.369 -5.023 1.00 0.54 C ATOM 1900 C LYS A 135 14.177 -0.933 -3.934 1.00 0.48 C ATOM 1901 O LYS A 135 14.595 -0.209 -3.031 1.00 0.46 O ATOM 1902 CB LYS A 135 11.817 -0.369 -4.579 1.00 0.54 C ATOM 1903 CG LYS A 135 11.111 0.952 -4.837 1.00 0.65 C ATOM 1904 CD LYS A 135 11.103 1.313 -6.316 1.00 0.76 C ATOM 1905 CE LYS A 135 10.385 2.631 -6.564 1.00 1.05 C ATOM 1906 NZ LYS A 135 11.117 3.780 -5.975 1.00 1.94 N ATOM 0 H LYS A 135 12.625 -1.689 -6.515 1.00 0.59 H new ATOM 0 HA LYS A 135 13.580 0.662 -5.197 1.00 0.54 H new ATOM 0 HB2 LYS A 135 11.285 -1.165 -5.100 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.769 -0.597 -3.514 1.00 0.54 H new ATOM 0 HG2 LYS A 135 10.085 0.893 -4.472 1.00 0.65 H new ATOM 0 HG3 LYS A 135 11.605 1.743 -4.273 1.00 0.65 H new ATOM 0 HD2 LYS A 135 12.128 1.382 -6.680 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.616 0.520 -6.883 1.00 0.76 H new ATOM 0 HE2 LYS A 135 10.270 2.785 -7.637 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.382 2.583 -6.140 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 10.439 4.435 -5.536 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 11.782 3.435 -5.254 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 11.643 4.276 -6.722 1.00 1.94 H new ATOM 1920 N TYR A 136 14.496 -2.218 -4.024 1.00 0.48 N ATOM 1921 CA TYR A 136 15.475 -2.804 -3.122 1.00 0.46 C ATOM 1922 C TYR A 136 16.855 -2.223 -3.410 1.00 0.47 C ATOM 1923 O TYR A 136 17.596 -1.890 -2.494 1.00 0.48 O ATOM 1924 CB TYR A 136 15.512 -4.333 -3.235 1.00 0.48 C ATOM 1925 CG TYR A 136 16.703 -4.941 -2.534 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.744 -5.043 -1.150 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.799 -5.390 -3.258 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.846 -5.572 -0.508 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.901 -5.923 -2.625 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.921 -6.011 -1.248 1.00 0.54 C ATOM 1931 OH TYR A 136 20.021 -6.535 -0.607 1.00 0.59 O ATOM 0 H TYR A 136 14.097 -2.866 -4.703 1.00 0.48 H new ATOM 0 HA TYR A 136 15.179 -2.558 -2.102 1.00 0.46 H new ATOM 0 HB2 TYR A 136 14.597 -4.747 -2.812 1.00 0.48 H new ATOM 0 HB3 TYR A 136 15.532 -4.615 -4.288 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.901 -4.703 -0.567 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.788 -5.320 -4.336 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.865 -5.641 0.570 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.744 -6.270 -3.203 1.00 0.57 H new ATOM 0 HH TYR A 136 20.692 -6.799 -1.271 1.00 0.59 H new ATOM 1941 N GLN A 137 17.180 -2.086 -4.690 1.00 0.49 N ATOM 1942 CA GLN A 137 18.461 -1.532 -5.109 1.00 0.51 C ATOM 1943 C GLN A 137 18.520 -0.069 -4.704 1.00 0.53 C ATOM 1944 O GLN A 137 19.566 0.441 -4.302 1.00 0.57 O ATOM 1945 CB GLN A 137 18.636 -1.664 -6.628 1.00 0.55 C ATOM 1946 CG GLN A 137 18.203 -3.017 -7.174 1.00 0.61 C ATOM 1947 CD GLN A 137 18.984 -4.174 -6.611 1.00 1.17 C ATOM 1948 OE1 GLN A 137 20.160 -4.054 -6.267 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.326 -5.310 -6.512 1.00 1.24 N ATOM 0 H GLN A 137 16.568 -2.354 -5.461 1.00 0.49 H new ATOM 0 HA GLN A 137 19.267 -2.084 -4.625 1.00 0.51 H new ATOM 0 HB2 GLN A 137 18.060 -0.881 -7.121 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.683 -1.497 -6.881 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.145 -3.165 -6.958 1.00 0.61 H new ATOM 0 HG3 GLN A 137 18.309 -3.012 -8.259 1.00 0.61 H new ATOM 0 HE21 GLN A 137 17.352 -5.363 -6.810 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.790 -6.137 -6.138 1.00 1.24 H new ATOM 1958 N GLU A 138 17.368 0.585 -4.817 1.00 0.53 N ATOM 1959 CA GLU A 138 17.197 1.964 -4.399 1.00 0.57 C ATOM 1960 C GLU A 138 17.457 2.126 -2.905 1.00 0.54 C ATOM 1961 O GLU A 138 18.240 2.977 -2.495 1.00 0.60 O ATOM 1962 CB GLU A 138 15.781 2.435 -4.750 1.00 0.60 C ATOM 1963 CG GLU A 138 15.316 3.643 -3.956 1.00 0.69 C ATOM 1964 CD GLU A 138 13.982 4.175 -4.426 1.00 1.33 C ATOM 1965 OE1 GLU A 138 12.937 3.619 -4.031 1.00 2.04 O ATOM 1966 OE2 GLU A 138 13.973 5.155 -5.203 1.00 1.46 O ATOM 0 H GLU A 138 16.523 0.166 -5.205 1.00 0.53 H new ATOM 0 HA GLU A 138 17.925 2.579 -4.929 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.742 2.675 -5.813 1.00 0.60 H new ATOM 0 HB3 GLU A 138 15.084 1.613 -4.583 1.00 0.60 H new ATOM 0 HG2 GLU A 138 15.244 3.373 -2.902 1.00 0.69 H new ATOM 0 HG3 GLU A 138 16.064 4.432 -4.032 1.00 0.69 H new ATOM 1973 N CYS A 139 16.804 1.314 -2.089 1.00 0.47 N ATOM 1974 CA CYS A 139 16.985 1.403 -0.650 1.00 0.44 C ATOM 1975 C CYS A 139 18.389 0.952 -0.266 1.00 0.43 C ATOM 1976 O CYS A 139 19.052 1.590 0.552 1.00 0.42 O ATOM 1977 CB CYS A 139 15.943 0.563 0.089 1.00 0.42 C ATOM 1978 SG CYS A 139 15.849 0.920 1.853 1.00 1.06 S ATOM 0 H CYS A 139 16.150 0.593 -2.395 1.00 0.47 H new ATOM 0 HA CYS A 139 16.853 2.445 -0.357 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.965 0.734 -0.361 1.00 0.42 H new ATOM 0 HB3 CYS A 139 16.176 -0.493 -0.048 1.00 0.42 H new ATOM 0 HG CYS A 139 14.974 1.859 2.060 1.00 1.06 H new ATOM 1984 N ASN A 140 18.844 -0.133 -0.886 1.00 0.45 N ATOM 1985 CA ASN A 140 20.163 -0.698 -0.608 1.00 0.48 C ATOM 1986 C ASN A 140 21.246 0.350 -0.803 1.00 0.52 C ATOM 1987 O ASN A 140 22.068 0.577 0.085 1.00 0.54 O ATOM 1988 CB ASN A 140 20.437 -1.901 -1.517 1.00 0.52 C ATOM 1989 CG ASN A 140 21.700 -2.650 -1.144 1.00 0.60 C ATOM 1990 OD1 ASN A 140 22.074 -2.724 0.029 1.00 1.22 O ATOM 1991 ND2 ASN A 140 22.368 -3.210 -2.140 1.00 1.13 N ATOM 0 H ASN A 140 18.313 -0.644 -1.592 1.00 0.45 H new ATOM 0 HA ASN A 140 20.175 -1.030 0.430 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.589 -2.584 -1.471 1.00 0.52 H new ATOM 0 HB3 ASN A 140 20.515 -1.559 -2.549 1.00 0.52 H new ATOM 0 HD21 ASN A 140 23.227 -3.727 -1.951 1.00 1.13 H new ATOM 0 HD22 ASN A 140 22.024 -3.125 -3.096 1.00 1.13 H new ATOM 1998 N LYS A 141 21.228 1.007 -1.959 1.00 0.56 N ATOM 1999 CA LYS A 141 22.217 2.032 -2.254 1.00 0.63 C ATOM 2000 C LYS A 141 22.103 3.186 -1.267 1.00 0.60 C ATOM 2001 O LYS A 141 23.113 3.722 -0.828 1.00 0.65 O ATOM 2002 CB LYS A 141 22.074 2.560 -3.686 1.00 0.70 C ATOM 2003 CG LYS A 141 20.752 3.244 -3.956 1.00 0.69 C ATOM 2004 CD LYS A 141 20.805 4.090 -5.211 1.00 0.81 C ATOM 2005 CE LYS A 141 19.470 4.772 -5.474 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.448 5.497 -6.774 1.00 1.15 N ATOM 0 H LYS A 141 20.545 0.848 -2.699 1.00 0.56 H new ATOM 0 HA LYS A 141 23.200 1.571 -2.158 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.883 3.262 -3.887 1.00 0.70 H new ATOM 0 HB3 LYS A 141 22.192 1.730 -4.383 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.968 2.494 -4.056 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.486 3.871 -3.105 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.587 4.843 -5.112 1.00 0.81 H new ATOM 0 HD3 LYS A 141 21.070 3.464 -6.063 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.676 4.025 -5.464 1.00 0.85 H new ATOM 0 HE3 LYS A 141 19.258 5.473 -4.667 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.518 5.944 -6.907 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 20.187 6.228 -6.776 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.623 4.826 -7.549 1.00 1.15 H new ATOM 2020 N ILE A 142 20.873 3.547 -0.905 1.00 0.54 N ATOM 2021 CA ILE A 142 20.642 4.670 -0.007 1.00 0.52 C ATOM 2022 C ILE A 142 21.140 4.371 1.402 1.00 0.49 C ATOM 2023 O ILE A 142 21.678 5.248 2.081 1.00 0.51 O ATOM 2024 CB ILE A 142 19.164 5.100 0.007 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.835 5.792 -1.316 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.886 6.026 1.180 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.417 6.319 -1.401 1.00 0.60 C ATOM 0 H ILE A 142 20.024 3.077 -1.221 1.00 0.54 H new ATOM 0 HA ILE A 142 21.221 5.509 -0.394 1.00 0.52 H new ATOM 0 HB ILE A 142 18.532 4.220 0.123 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.529 6.620 -1.463 1.00 0.58 H new ATOM 0 HG13 ILE A 142 19.000 5.089 -2.133 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.836 6.318 1.172 1.00 0.49 H new ATOM 0 HG22 ILE A 142 19.112 5.509 2.113 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.511 6.915 1.098 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.263 6.795 -2.369 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.715 5.493 -1.287 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.252 7.048 -0.608 1.00 0.60 H new ATOM 2039 N VAL A 143 20.995 3.132 1.830 1.00 0.46 N ATOM 2040 CA VAL A 143 21.579 2.711 3.090 1.00 0.47 C ATOM 2041 C VAL A 143 23.090 2.936 3.063 1.00 0.56 C ATOM 2042 O VAL A 143 23.690 3.352 4.056 1.00 0.59 O ATOM 2043 CB VAL A 143 21.275 1.232 3.394 1.00 0.47 C ATOM 2044 CG1 VAL A 143 22.049 0.767 4.615 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.783 1.029 3.598 1.00 0.41 C ATOM 0 H VAL A 143 20.483 2.405 1.330 1.00 0.46 H new ATOM 0 HA VAL A 143 21.132 3.312 3.882 1.00 0.47 H new ATOM 0 HB VAL A 143 21.592 0.632 2.541 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.821 -0.280 4.813 1.00 0.55 H new ATOM 0 HG12 VAL A 143 23.118 0.877 4.432 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.765 1.370 5.477 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.585 -0.021 3.812 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.444 1.640 4.434 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.249 1.322 2.694 1.00 0.41 H new ATOM 2055 N LYS A 144 23.693 2.692 1.905 1.00 0.63 N ATOM 2056 CA LYS A 144 25.127 2.876 1.736 1.00 0.74 C ATOM 2057 C LYS A 144 25.472 4.348 1.614 1.00 0.76 C ATOM 2058 O LYS A 144 26.585 4.756 1.944 1.00 0.85 O ATOM 2059 CB LYS A 144 25.625 2.125 0.505 1.00 0.84 C ATOM 2060 CG LYS A 144 25.072 0.724 0.426 1.00 0.83 C ATOM 2061 CD LYS A 144 25.681 -0.078 -0.712 1.00 1.10 C ATOM 2062 CE LYS A 144 25.355 -1.558 -0.579 1.00 1.57 C ATOM 2063 NZ LYS A 144 25.977 -2.368 -1.659 1.00 2.23 N ATOM 0 H LYS A 144 23.209 2.366 1.069 1.00 0.63 H new ATOM 0 HA LYS A 144 25.621 2.473 2.620 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.343 2.676 -0.392 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.714 2.083 0.524 1.00 0.84 H new ATOM 0 HG2 LYS A 144 25.258 0.210 1.369 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.991 0.770 0.296 1.00 0.83 H new ATOM 0 HD2 LYS A 144 25.306 0.295 -1.665 1.00 1.10 H new ATOM 0 HD3 LYS A 144 26.762 0.060 -0.719 1.00 1.10 H new ATOM 0 HE2 LYS A 144 25.701 -1.919 0.389 1.00 1.57 H new ATOM 0 HE3 LYS A 144 24.274 -1.694 -0.602 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 25.729 -3.369 -1.529 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 25.628 -2.042 -2.583 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 27.011 -2.260 -1.622 1.00 2.23 H new ATOM 2077 N GLN A 145 24.524 5.145 1.126 1.00 0.70 N ATOM 2078 CA GLN A 145 24.699 6.589 1.092 1.00 0.74 C ATOM 2079 C GLN A 145 24.905 7.092 2.508 1.00 0.75 C ATOM 2080 O GLN A 145 25.629 8.053 2.759 1.00 0.84 O ATOM 2081 CB GLN A 145 23.473 7.288 0.514 1.00 0.71 C ATOM 2082 CG GLN A 145 22.938 6.636 -0.734 1.00 0.72 C ATOM 2083 CD GLN A 145 23.757 6.919 -1.969 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.398 7.963 -2.090 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.730 5.987 -2.901 1.00 1.27 N ATOM 0 H GLN A 145 23.634 4.815 0.752 1.00 0.70 H new ATOM 0 HA GLN A 145 25.560 6.810 0.461 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.687 7.308 1.269 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.727 8.324 0.292 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.893 5.558 -0.579 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.916 6.977 -0.901 1.00 0.72 H new ATOM 0 HE21 GLN A 145 23.184 5.137 -2.757 1.00 1.27 H new ATOM 0 HE22 GLN A 145 24.255 6.116 -3.766 1.00 1.27 H new ATOM 2094 N LYS A 146 24.247 6.404 3.425 1.00 0.67 N ATOM 2095 CA LYS A 146 24.229 6.778 4.821 1.00 0.70 C ATOM 2096 C LYS A 146 25.407 6.199 5.594 1.00 0.84 C ATOM 2097 O LYS A 146 26.225 6.946 6.131 1.00 0.94 O ATOM 2098 CB LYS A 146 22.935 6.291 5.456 1.00 0.58 C ATOM 2099 CG LYS A 146 21.700 7.025 4.971 1.00 0.58 C ATOM 2100 CD LYS A 146 20.466 6.636 5.767 1.00 0.64 C ATOM 2101 CE LYS A 146 20.456 7.273 7.155 1.00 1.40 C ATOM 2102 NZ LYS A 146 21.509 6.722 8.050 1.00 1.73 N ATOM 0 H LYS A 146 23.707 5.564 3.216 1.00 0.67 H new ATOM 0 HA LYS A 146 24.302 7.865 4.868 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.818 5.227 5.250 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.009 6.400 6.538 1.00 0.58 H new ATOM 0 HG2 LYS A 146 21.861 8.100 5.051 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.537 6.805 3.916 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.572 6.940 5.222 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.425 5.551 5.866 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.596 8.349 7.057 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.479 7.119 7.613 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 21.140 6.655 9.020 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 21.786 5.776 7.719 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 22.338 7.349 8.037 1.00 1.73 H new