USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 35 TYR OH : rot 51:sc= 0.315 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0566 X(o=-0.19,f=-0.29) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.449 K(o=-0.19,f=-0.78) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.795) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.233 X(o=0.85,f=0.79) USER MOD Single : A 1 MET CE :methyl 169:sc= -0.271 (180deg=-0.365) USER MOD Single : A 4 GLN :FLIP amide:sc=-0.00774 F(o=-1.3!,f=-0.0077) USER MOD Single : A 6 GLN : amide:sc= -3.83! C(o=-3.8!,f=-6!) USER MOD Single : A 8 SER OG : rot -113:sc= -3.4! USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl -137:sc= -0.134 (180deg=-0.847) USER MOD Single : A -4 MET N :NH3+ -123:sc= 0.0957 (180deg=-0.205) USER MOD Single : A 11 THR OG1 : rot 170:sc= 0.075 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.148 F(o=-0.68,f=0.15) USER MOD Single : A 27 THR OG1 : rot -150:sc= -1.14! USER MOD Single : A 28 SER OG : rot 180:sc= 0.00349 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -0.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0208 (180deg=-0.298) USER MOD Single : A 47 ASN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.289 K(o=-0.29,f=-7.1!) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= 0.198 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 64 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-10!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.13) USER MOD Single : A 74 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.61) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0814 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 132:sc= 0.425 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.9!) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.112 F(o=-2.8!,f=-0.11) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -19.936 20.306 -6.518 1.00 12.65 N ATOM 2 CA MET A -4 -20.334 18.881 -6.580 1.00 12.53 C ATOM 3 C MET A -4 -19.417 18.118 -7.526 1.00 12.44 C ATOM 4 O MET A -4 -18.577 18.713 -8.204 1.00 12.69 O ATOM 5 CB MET A -4 -21.784 18.752 -7.047 1.00 12.61 C ATOM 6 CG MET A -4 -22.796 19.349 -6.086 1.00 12.98 C ATOM 7 SD MET A -4 -24.482 19.269 -6.721 1.00 13.01 S ATOM 8 CE MET A -4 -24.346 20.324 -8.163 1.00 13.01 C ATOM 0 H1 MET A -4 -19.733 20.567 -5.532 1.00 12.65 H new ATOM 0 H2 MET A -4 -19.085 20.454 -7.098 1.00 12.65 H new ATOM 0 H3 MET A -4 -20.710 20.899 -6.881 1.00 12.65 H new ATOM 0 HA MET A -4 -20.247 18.455 -5.580 1.00 12.53 H new ATOM 0 HB2 MET A -4 -21.888 19.239 -8.017 1.00 12.61 H new ATOM 0 HB3 MET A -4 -22.016 17.697 -7.194 1.00 12.61 H new ATOM 0 HG2 MET A -4 -22.744 18.820 -5.134 1.00 12.98 H new ATOM 0 HG3 MET A -4 -22.535 20.389 -5.888 1.00 12.98 H new ATOM 0 HE1 MET A -4 -25.218 20.976 -8.220 1.00 13.01 H new ATOM 0 HE2 MET A -4 -23.443 20.930 -8.086 1.00 13.01 H new ATOM 0 HE3 MET A -4 -24.294 19.708 -9.061 1.00 13.01 H new ATOM 20 N ARG A -3 -19.575 16.804 -7.570 1.00 12.29 N ATOM 21 CA ARG A -3 -18.762 15.958 -8.430 1.00 12.43 C ATOM 22 C ARG A -3 -19.635 15.209 -9.432 1.00 12.49 C ATOM 23 O ARG A -3 -20.600 14.538 -9.057 1.00 13.19 O ATOM 24 CB ARG A -3 -17.952 14.977 -7.583 1.00 12.66 C ATOM 25 CG ARG A -3 -16.858 15.643 -6.767 1.00 13.08 C ATOM 26 CD ARG A -3 -16.243 14.681 -5.766 1.00 13.33 C ATOM 27 NE ARG A -3 -17.186 14.309 -4.713 1.00 13.68 N ATOM 28 CZ ARG A -3 -16.954 13.364 -3.804 1.00 13.98 C ATOM 29 NH1 ARG A -3 -15.789 12.723 -3.785 1.00 13.97 N ATOM 30 NH2 ARG A -3 -17.879 13.072 -2.902 1.00 14.46 N ATOM 0 H ARG A -3 -20.265 16.297 -7.015 1.00 12.29 H new ATOM 0 HA ARG A -3 -18.073 16.590 -8.990 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -18.626 14.448 -6.909 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -17.503 14.229 -8.237 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -16.083 16.019 -7.435 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -17.269 16.504 -6.240 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -15.907 13.783 -6.285 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -15.361 15.139 -5.318 1.00 13.33 H new ATOM 0 HE ARG A -3 -18.077 14.804 -4.672 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -15.068 12.954 -4.469 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -15.616 12.000 -3.087 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -18.769 13.571 -2.904 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -17.702 12.348 -2.206 1.00 14.46 H new ATOM 44 N SER A -2 -19.299 15.341 -10.707 1.00 11.93 N ATOM 45 CA SER A -2 -20.071 14.725 -11.774 1.00 12.17 C ATOM 46 C SER A -2 -19.330 13.520 -12.361 1.00 11.88 C ATOM 47 O SER A -2 -18.100 13.442 -12.276 1.00 11.14 O ATOM 48 CB SER A -2 -20.358 15.764 -12.863 1.00 12.01 C ATOM 49 OG SER A -2 -19.160 16.379 -13.314 1.00 11.89 O ATOM 0 H SER A -2 -18.491 15.874 -11.028 1.00 11.93 H new ATOM 0 HA SER A -2 -21.015 14.366 -11.363 1.00 12.17 H new ATOM 0 HB2 SER A -2 -20.862 15.285 -13.702 1.00 12.01 H new ATOM 0 HB3 SER A -2 -21.036 16.524 -12.475 1.00 12.01 H new ATOM 0 HG SER A -2 -19.371 17.036 -14.010 1.00 11.89 H new ATOM 55 N PRO A -1 -20.073 12.563 -12.951 1.00 12.62 N ATOM 56 CA PRO A -1 -19.490 11.362 -13.568 1.00 12.63 C ATOM 57 C PRO A -1 -18.440 11.694 -14.626 1.00 12.19 C ATOM 58 O PRO A -1 -18.629 12.593 -15.451 1.00 12.50 O ATOM 59 CB PRO A -1 -20.692 10.667 -14.213 1.00 13.78 C ATOM 60 CG PRO A -1 -21.869 11.161 -13.450 1.00 14.31 C ATOM 61 CD PRO A -1 -21.543 12.571 -13.055 1.00 13.65 C ATOM 0 HA PRO A -1 -18.968 10.749 -12.834 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -20.773 10.917 -15.271 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -20.604 9.583 -14.147 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -22.772 11.125 -14.059 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -22.052 10.542 -12.572 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -21.890 13.288 -13.800 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -22.012 12.842 -12.109 1.00 13.65 H new ATOM 69 N GLY A 0 -17.342 10.959 -14.598 1.00 11.64 N ATOM 70 CA GLY A 0 -16.238 11.224 -15.495 1.00 11.36 C ATOM 71 C GLY A 0 -14.996 11.611 -14.727 1.00 10.34 C ATOM 72 O GLY A 0 -14.155 12.366 -15.215 1.00 10.25 O ATOM 0 H GLY A 0 -17.194 10.175 -13.963 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -16.035 10.340 -16.099 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -16.508 12.025 -16.183 1.00 11.36 H new ATOM 76 N MET A 1 -14.896 11.094 -13.512 1.00 9.76 N ATOM 77 CA MET A 1 -13.791 11.404 -12.621 1.00 8.91 C ATOM 78 C MET A 1 -13.220 10.114 -12.047 1.00 7.94 C ATOM 79 O MET A 1 -13.488 9.028 -12.567 1.00 7.83 O ATOM 80 CB MET A 1 -14.280 12.311 -11.487 1.00 9.07 C ATOM 81 CG MET A 1 -15.354 11.671 -10.619 1.00 9.23 C ATOM 82 SD MET A 1 -15.899 12.732 -9.271 1.00 9.52 S ATOM 83 CE MET A 1 -17.033 11.630 -8.429 1.00 10.00 C ATOM 0 H MET A 1 -15.579 10.448 -13.117 1.00 9.76 H new ATOM 0 HA MET A 1 -13.011 11.922 -13.179 1.00 8.91 H new ATOM 0 HB2 MET A 1 -13.432 12.584 -10.859 1.00 9.07 H new ATOM 0 HB3 MET A 1 -14.671 13.234 -11.914 1.00 9.07 H new ATOM 0 HG2 MET A 1 -16.211 11.416 -11.242 1.00 9.23 H new ATOM 0 HG3 MET A 1 -14.971 10.738 -10.206 1.00 9.23 H new ATOM 0 HE1 MET A 1 -17.309 12.059 -7.466 1.00 10.00 H new ATOM 0 HE2 MET A 1 -17.928 11.495 -9.036 1.00 10.00 H new ATOM 0 HE3 MET A 1 -16.553 10.664 -8.272 1.00 10.00 H new ATOM 93 N ALA A 2 -12.432 10.231 -10.986 1.00 7.42 N ATOM 94 CA ALA A 2 -11.932 9.064 -10.279 1.00 6.49 C ATOM 95 C ALA A 2 -13.065 8.401 -9.506 1.00 5.57 C ATOM 96 O ALA A 2 -14.193 8.906 -9.488 1.00 5.73 O ATOM 97 CB ALA A 2 -10.800 9.454 -9.340 1.00 6.46 C ATOM 0 H ALA A 2 -12.126 11.123 -10.598 1.00 7.42 H new ATOM 0 HA ALA A 2 -11.540 8.353 -11.006 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -10.438 8.568 -8.819 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -9.986 9.895 -9.915 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -11.164 10.179 -8.612 1.00 6.46 H new ATOM 103 N ASP A 3 -12.781 7.272 -8.881 1.00 4.82 N ATOM 104 CA ASP A 3 -13.793 6.577 -8.097 1.00 4.07 C ATOM 105 C ASP A 3 -14.171 7.397 -6.871 1.00 3.42 C ATOM 106 O ASP A 3 -13.359 8.158 -6.344 1.00 3.36 O ATOM 107 CB ASP A 3 -13.311 5.194 -7.676 1.00 3.92 C ATOM 108 CG ASP A 3 -14.363 4.424 -6.901 1.00 3.91 C ATOM 109 OD1 ASP A 3 -15.343 3.958 -7.521 1.00 4.05 O ATOM 110 OD2 ASP A 3 -14.207 4.265 -5.674 1.00 4.23 O ATOM 0 H ASP A 3 -11.868 6.818 -8.899 1.00 4.82 H new ATOM 0 HA ASP A 3 -14.675 6.452 -8.725 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -13.029 4.626 -8.562 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -12.415 5.296 -7.064 1.00 3.92 H new ATOM 115 N GLN A 4 -15.406 7.231 -6.428 1.00 3.34 N ATOM 116 CA GLN A 4 -15.932 7.982 -5.292 1.00 3.48 C ATOM 117 C GLN A 4 -15.159 7.654 -4.016 1.00 2.99 C ATOM 118 O GLN A 4 -15.095 8.464 -3.092 1.00 3.54 O ATOM 119 CB GLN A 4 -17.423 7.690 -5.106 1.00 4.26 C ATOM 120 CG GLN A 4 -17.729 6.235 -4.794 1.00 4.71 C ATOM 121 CD GLN A 4 -19.216 5.945 -4.729 1.00 5.51 C ATOM 122 OE1 GLN A 4 -19.997 6.652 -5.524 1.00 5.74 O flip ATOM 123 NE2 GLN A 4 -19.656 5.077 -3.978 1.00 6.23 N flip ATOM 0 H GLN A 4 -16.071 6.577 -6.840 1.00 3.34 H new ATOM 0 HA GLN A 4 -15.808 9.045 -5.498 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -17.808 8.314 -4.299 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -17.956 7.977 -6.013 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -17.274 5.602 -5.555 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -17.270 5.969 -3.842 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -19.020 4.551 -3.378 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -20.657 4.882 -3.955 1.00 6.23 H new ATOM 132 N ARG A 5 -14.573 6.466 -3.970 1.00 2.50 N ATOM 133 CA ARG A 5 -13.738 6.078 -2.850 1.00 2.68 C ATOM 134 C ARG A 5 -12.274 6.316 -3.180 1.00 2.06 C ATOM 135 O ARG A 5 -11.587 7.060 -2.489 1.00 2.58 O ATOM 136 CB ARG A 5 -13.959 4.613 -2.490 1.00 3.25 C ATOM 137 CG ARG A 5 -15.268 4.359 -1.769 1.00 4.11 C ATOM 138 CD ARG A 5 -15.214 4.808 -0.316 1.00 4.98 C ATOM 139 NE ARG A 5 -15.554 6.222 -0.149 1.00 5.72 N ATOM 140 CZ ARG A 5 -15.194 6.958 0.901 1.00 6.72 C ATOM 141 NH1 ARG A 5 -14.417 6.442 1.846 1.00 7.07 N ATOM 142 NH2 ARG A 5 -15.617 8.211 1.007 1.00 7.54 N ATOM 0 H ARG A 5 -14.662 5.756 -4.697 1.00 2.50 H new ATOM 0 HA ARG A 5 -14.015 6.690 -1.991 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -13.933 4.015 -3.401 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -13.135 4.273 -1.862 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -16.073 4.886 -2.282 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -15.505 3.296 -1.812 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -15.901 4.201 0.273 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -14.213 4.630 0.078 1.00 4.98 H new ATOM 0 HE ARG A 5 -16.101 6.672 -0.883 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -14.093 5.478 1.770 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -14.144 7.010 2.648 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -16.217 8.609 0.285 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -15.342 8.776 1.811 1.00 7.54 H new ATOM 156 N GLN A 6 -11.804 5.687 -4.252 1.00 1.28 N ATOM 157 CA GLN A 6 -10.412 5.765 -4.632 1.00 0.78 C ATOM 158 C GLN A 6 -10.131 6.993 -5.489 1.00 0.83 C ATOM 159 O GLN A 6 -10.409 7.014 -6.688 1.00 1.14 O ATOM 160 CB GLN A 6 -9.982 4.492 -5.346 1.00 0.87 C ATOM 161 CG GLN A 6 -10.157 3.246 -4.489 1.00 0.82 C ATOM 162 CD GLN A 6 -10.031 1.954 -5.280 1.00 1.10 C ATOM 163 OE1 GLN A 6 -9.278 1.867 -6.244 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.794 0.947 -4.893 1.00 1.15 N ATOM 0 H GLN A 6 -12.377 5.115 -4.872 1.00 1.28 H new ATOM 0 HA GLN A 6 -9.823 5.865 -3.720 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -10.562 4.381 -6.262 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.936 4.581 -5.640 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.412 3.252 -3.694 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -11.135 3.277 -4.009 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -11.409 1.054 -4.086 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -10.768 0.063 -5.401 1.00 1.15 H new ATOM 173 N ARG A 7 -9.570 8.005 -4.849 1.00 0.84 N ATOM 174 CA ARG A 7 -9.375 9.308 -5.464 1.00 1.03 C ATOM 175 C ARG A 7 -8.037 9.950 -5.100 1.00 0.98 C ATOM 176 O ARG A 7 -7.710 11.034 -5.585 1.00 1.17 O ATOM 177 CB ARG A 7 -10.510 10.218 -5.013 1.00 1.18 C ATOM 178 CG ARG A 7 -10.971 9.975 -3.577 1.00 1.16 C ATOM 179 CD ARG A 7 -9.868 10.144 -2.538 1.00 1.14 C ATOM 180 NE ARG A 7 -9.342 11.505 -2.458 1.00 1.61 N ATOM 181 CZ ARG A 7 -8.687 11.966 -1.392 1.00 1.80 C ATOM 182 NH1 ARG A 7 -8.553 11.200 -0.310 1.00 1.51 N ATOM 183 NH2 ARG A 7 -8.173 13.188 -1.399 1.00 2.67 N ATOM 0 H ARG A 7 -9.236 7.947 -3.887 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.371 9.171 -6.545 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -10.190 11.255 -5.110 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.359 10.082 -5.684 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -11.784 10.663 -3.345 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -11.376 8.966 -3.502 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -10.254 9.855 -1.561 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -9.051 9.461 -2.773 1.00 1.14 H new ATOM 0 HE ARG A 7 -9.482 12.130 -3.252 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -8.951 10.261 -0.297 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -8.052 11.552 0.506 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -8.278 13.781 -2.223 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -7.673 13.536 -0.581 1.00 2.67 H new ATOM 197 N SER A 8 -7.267 9.298 -4.249 1.00 0.77 N ATOM 198 CA SER A 8 -6.064 9.899 -3.717 1.00 0.75 C ATOM 199 C SER A 8 -4.804 9.488 -4.481 1.00 0.75 C ATOM 200 O SER A 8 -4.403 10.159 -5.435 1.00 1.06 O ATOM 201 CB SER A 8 -5.961 9.494 -2.264 1.00 0.65 C ATOM 202 OG SER A 8 -6.433 8.174 -2.091 1.00 1.38 O ATOM 0 H SER A 8 -7.455 8.353 -3.913 1.00 0.77 H new ATOM 0 HA SER A 8 -6.132 10.982 -3.824 1.00 0.75 H new ATOM 0 HB2 SER A 8 -4.925 9.564 -1.932 1.00 0.65 H new ATOM 0 HB3 SER A 8 -6.541 10.179 -1.646 1.00 0.65 H new ATOM 0 HG SER A 8 -7.255 8.188 -1.557 1.00 1.38 H new ATOM 208 N LEU A 9 -4.195 8.390 -4.067 1.00 0.54 N ATOM 209 CA LEU A 9 -2.963 7.904 -4.682 1.00 0.53 C ATOM 210 C LEU A 9 -3.277 7.129 -5.964 1.00 0.55 C ATOM 211 O LEU A 9 -4.397 7.192 -6.471 1.00 0.59 O ATOM 212 CB LEU A 9 -2.132 7.048 -3.691 1.00 0.44 C ATOM 213 CG LEU A 9 -2.869 5.968 -2.879 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.446 6.542 -1.592 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.963 5.315 -3.701 1.00 0.65 C ATOM 0 H LEU A 9 -4.535 7.810 -3.300 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.352 8.767 -4.947 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.339 6.559 -4.256 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.650 7.726 -2.986 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.137 5.205 -2.615 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.960 5.755 -1.041 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.639 6.946 -0.980 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.152 7.337 -1.833 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.466 4.557 -3.101 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.685 6.070 -4.011 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.526 4.848 -4.583 1.00 0.65 H new HETATM 227 N SEP A 10 -2.305 6.393 -6.476 1.00 0.56 N HETATM 228 CA SEP A 10 -2.505 5.638 -7.697 1.00 0.60 C HETATM 229 CB SEP A 10 -1.178 5.464 -8.432 1.00 0.74 C HETATM 230 OG SEP A 10 -0.501 6.707 -8.567 1.00 1.08 O HETATM 231 C SEP A 10 -3.090 4.283 -7.344 1.00 0.47 C HETATM 232 O SEP A 10 -2.402 3.425 -6.799 1.00 0.46 O HETATM 233 P SEP A 10 1.037 6.453 -8.160 1.00 1.55 P HETATM 234 O1P SEP A 10 1.883 7.665 -8.706 1.00 2.41 O HETATM 235 O2P SEP A 10 1.556 5.187 -8.969 1.00 2.39 O HETATM 236 O3P SEP A 10 1.090 6.276 -6.677 1.00 2.04 O HETATM 0 HB3 SEP A 10 -0.547 4.760 -7.889 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.358 5.036 -9.418 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.191 6.174 -8.352 1.00 0.60 H new HETATM 0 H SEP A 10 -1.372 6.721 -6.226 1.00 0.56 H new ATOM 241 N THR A 11 -4.357 4.093 -7.644 1.00 0.43 N ATOM 242 CA THR A 11 -5.035 2.884 -7.245 1.00 0.36 C ATOM 243 C THR A 11 -4.887 1.774 -8.271 1.00 0.37 C ATOM 244 O THR A 11 -5.764 1.543 -9.103 1.00 0.44 O ATOM 245 CB THR A 11 -6.509 3.157 -6.941 1.00 0.44 C ATOM 246 OG1 THR A 11 -6.950 4.324 -7.653 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.697 3.356 -5.449 1.00 0.54 C ATOM 0 H THR A 11 -4.934 4.758 -8.160 1.00 0.43 H new ATOM 0 HA THR A 11 -4.554 2.537 -6.330 1.00 0.36 H new ATOM 0 HB THR A 11 -7.104 2.303 -7.264 1.00 0.44 H new ATOM 0 HG1 THR A 11 -7.925 4.400 -7.584 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.749 3.550 -5.237 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.380 2.458 -4.919 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.098 4.204 -5.117 1.00 0.54 H new ATOM 255 N SER A 12 -3.742 1.119 -8.211 1.00 0.36 N ATOM 256 CA SER A 12 -3.483 -0.069 -8.992 1.00 0.40 C ATOM 257 C SER A 12 -2.727 -1.074 -8.139 1.00 0.34 C ATOM 258 O SER A 12 -1.501 -1.185 -8.222 1.00 0.41 O ATOM 259 CB SER A 12 -2.692 0.264 -10.252 1.00 0.53 C ATOM 260 OG SER A 12 -3.392 1.188 -11.071 1.00 1.26 O ATOM 0 H SER A 12 -2.964 1.401 -7.615 1.00 0.36 H new ATOM 0 HA SER A 12 -4.434 -0.500 -9.305 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.723 0.680 -9.976 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.498 -0.649 -10.814 1.00 0.53 H new ATOM 0 HG SER A 12 -2.861 1.384 -11.871 1.00 1.26 H new ATOM 266 N GLY A 13 -3.466 -1.783 -7.293 1.00 0.28 N ATOM 267 CA GLY A 13 -2.860 -2.757 -6.406 1.00 0.29 C ATOM 268 C GLY A 13 -2.218 -3.896 -7.159 1.00 0.27 C ATOM 269 O GLY A 13 -1.395 -4.628 -6.614 1.00 0.27 O ATOM 0 H GLY A 13 -4.479 -1.699 -7.206 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.110 -2.265 -5.788 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.619 -3.153 -5.731 1.00 0.29 H new ATOM 273 N GLU A 14 -2.568 -4.012 -8.428 1.00 0.28 N ATOM 274 CA GLU A 14 -2.086 -5.087 -9.278 1.00 0.26 C ATOM 275 C GLU A 14 -0.566 -5.028 -9.463 1.00 0.20 C ATOM 276 O GLU A 14 0.046 -5.974 -9.952 1.00 0.23 O ATOM 277 CB GLU A 14 -2.770 -5.002 -10.642 1.00 0.32 C ATOM 278 CG GLU A 14 -2.654 -3.624 -11.280 1.00 0.35 C ATOM 279 CD GLU A 14 -3.250 -3.567 -12.670 1.00 0.95 C ATOM 280 OE1 GLU A 14 -4.478 -3.366 -12.784 1.00 1.60 O ATOM 281 OE2 GLU A 14 -2.491 -3.708 -13.654 1.00 0.99 O ATOM 0 H GLU A 14 -3.196 -3.361 -8.900 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.327 -6.033 -8.793 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.331 -5.744 -11.309 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.824 -5.257 -10.531 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.154 -2.892 -10.645 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.603 -3.339 -11.329 1.00 0.35 H new ATOM 288 N SER A 15 0.031 -3.900 -9.101 1.00 0.21 N ATOM 289 CA SER A 15 1.464 -3.706 -9.251 1.00 0.22 C ATOM 290 C SER A 15 2.217 -4.134 -7.987 1.00 0.19 C ATOM 291 O SER A 15 3.438 -4.181 -7.987 1.00 0.22 O ATOM 292 CB SER A 15 1.763 -2.241 -9.568 1.00 0.31 C ATOM 293 OG SER A 15 3.076 -2.073 -10.074 1.00 0.74 O ATOM 0 H SER A 15 -0.460 -3.102 -8.699 1.00 0.21 H new ATOM 0 HA SER A 15 1.806 -4.331 -10.076 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.042 -1.872 -10.297 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.641 -1.641 -8.666 1.00 0.31 H new ATOM 0 HG SER A 15 3.233 -1.125 -10.267 1.00 0.74 H new ATOM 299 N LEU A 16 1.470 -4.432 -6.922 1.00 0.16 N ATOM 300 CA LEU A 16 2.032 -4.716 -5.588 1.00 0.14 C ATOM 301 C LEU A 16 3.314 -5.548 -5.618 1.00 0.14 C ATOM 302 O LEU A 16 4.338 -5.121 -5.090 1.00 0.16 O ATOM 303 CB LEU A 16 0.984 -5.419 -4.737 1.00 0.16 C ATOM 304 CG LEU A 16 0.389 -4.572 -3.616 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.244 -3.116 -4.040 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.956 -5.140 -3.211 1.00 0.18 C ATOM 0 H LEU A 16 0.452 -4.485 -6.955 1.00 0.16 H new ATOM 0 HA LEU A 16 2.305 -3.753 -5.156 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.176 -5.754 -5.387 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.432 -6.311 -4.299 1.00 0.16 H new ATOM 0 HG LEU A 16 1.067 -4.601 -2.763 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.183 -2.539 -3.220 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.223 -2.713 -4.297 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.413 -3.053 -4.908 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.380 -4.534 -2.410 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.628 -5.130 -4.069 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.828 -6.165 -2.862 1.00 0.18 H new ATOM 318 N TYR A 17 3.259 -6.726 -6.227 1.00 0.17 N ATOM 319 CA TYR A 17 4.429 -7.605 -6.304 1.00 0.20 C ATOM 320 C TYR A 17 5.614 -6.896 -6.960 1.00 0.24 C ATOM 321 O TYR A 17 6.764 -7.093 -6.573 1.00 0.34 O ATOM 322 CB TYR A 17 4.095 -8.888 -7.077 1.00 0.25 C ATOM 323 CG TYR A 17 3.644 -8.662 -8.504 1.00 0.63 C ATOM 324 CD1 TYR A 17 4.561 -8.620 -9.542 1.00 1.22 C ATOM 325 CD2 TYR A 17 2.298 -8.492 -8.810 1.00 0.69 C ATOM 326 CE1 TYR A 17 4.153 -8.420 -10.844 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.884 -8.290 -10.110 1.00 1.08 C ATOM 328 CZ TYR A 17 2.814 -8.237 -11.120 1.00 1.53 C ATOM 329 OH TYR A 17 2.409 -8.069 -12.424 1.00 1.99 O ATOM 0 H TYR A 17 2.421 -7.098 -6.675 1.00 0.17 H new ATOM 0 HA TYR A 17 4.708 -7.869 -5.284 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.975 -9.532 -7.085 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.312 -9.425 -6.543 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.612 -8.746 -9.328 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.565 -8.519 -8.017 1.00 0.69 H new ATOM 0 HE1 TYR A 17 4.879 -8.407 -11.644 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.834 -8.174 -10.333 1.00 1.08 H new ATOM 0 HH TYR A 17 1.436 -7.953 -12.452 1.00 1.99 H new ATOM 339 N HIS A 18 5.313 -6.041 -7.926 1.00 0.22 N ATOM 340 CA HIS A 18 6.329 -5.356 -8.713 1.00 0.26 C ATOM 341 C HIS A 18 6.859 -4.153 -7.950 1.00 0.23 C ATOM 342 O HIS A 18 7.975 -3.690 -8.179 1.00 0.29 O ATOM 343 CB HIS A 18 5.716 -4.908 -10.051 1.00 0.31 C ATOM 344 CG HIS A 18 6.714 -4.585 -11.127 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.815 -3.795 -11.120 1.00 1.62 N flip ATOM 346 CD2 HIS A 18 6.621 -5.088 -12.408 1.00 1.37 C flip ATOM 347 CE1 HIS A 18 8.355 -3.839 -12.378 1.00 1.96 C flip ATOM 348 NE2 HIS A 18 7.619 -4.625 -13.134 1.00 1.74 N flip ATOM 0 H HIS A 18 4.356 -5.802 -8.187 1.00 0.22 H new ATOM 0 HA HIS A 18 7.159 -6.036 -8.905 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.055 -5.696 -10.413 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.097 -4.029 -9.874 1.00 0.31 H new ATOM 0 HD1 HIS A 18 8.175 -3.266 -10.326 1.00 1.62 H new ATOM 0 HD2 HIS A 18 5.850 -5.757 -12.761 1.00 1.37 H new ATOM 0 HE1 HIS A 18 9.242 -3.313 -12.698 1.00 1.96 H new ATOM 357 N VAL A 19 6.048 -3.675 -7.030 1.00 0.17 N ATOM 358 CA VAL A 19 6.363 -2.496 -6.253 1.00 0.16 C ATOM 359 C VAL A 19 7.649 -2.685 -5.449 1.00 0.17 C ATOM 360 O VAL A 19 8.501 -1.795 -5.399 1.00 0.20 O ATOM 361 CB VAL A 19 5.192 -2.155 -5.309 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.608 -1.144 -4.278 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.006 -1.628 -6.092 1.00 0.19 C ATOM 0 H VAL A 19 5.148 -4.096 -6.799 1.00 0.17 H new ATOM 0 HA VAL A 19 6.519 -1.669 -6.946 1.00 0.16 H new ATOM 0 HB VAL A 19 4.900 -3.074 -4.800 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.764 -0.921 -3.625 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.429 -1.546 -3.685 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.933 -0.230 -4.775 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.192 -1.394 -5.406 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.297 -0.726 -6.630 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.675 -2.384 -6.804 1.00 0.19 H new ATOM 373 N LEU A 20 7.788 -3.845 -4.834 1.00 0.18 N ATOM 374 CA LEU A 20 8.935 -4.115 -3.970 1.00 0.24 C ATOM 375 C LEU A 20 9.712 -5.350 -4.419 1.00 0.27 C ATOM 376 O LEU A 20 10.912 -5.462 -4.167 1.00 0.33 O ATOM 377 CB LEU A 20 8.502 -4.251 -2.505 1.00 0.28 C ATOM 378 CG LEU A 20 7.014 -4.513 -2.267 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.596 -5.855 -2.839 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.702 -4.445 -0.781 1.00 0.28 C ATOM 0 H LEU A 20 7.126 -4.617 -4.913 1.00 0.18 H new ATOM 0 HA LEU A 20 9.605 -3.259 -4.054 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.071 -5.064 -2.053 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.778 -3.337 -1.979 1.00 0.28 H new ATOM 0 HG LEU A 20 6.444 -3.740 -2.782 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.533 -6.014 -2.655 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.784 -5.867 -3.913 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.170 -6.649 -2.361 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.640 -4.633 -0.623 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.286 -5.198 -0.252 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.956 -3.455 -0.401 1.00 0.28 H new ATOM 392 N GLY A 21 9.027 -6.275 -5.080 1.00 0.27 N ATOM 393 CA GLY A 21 9.676 -7.488 -5.536 1.00 0.32 C ATOM 394 C GLY A 21 9.388 -8.682 -4.646 1.00 0.34 C ATOM 395 O GLY A 21 10.304 -9.399 -4.243 1.00 0.65 O ATOM 0 H GLY A 21 8.035 -6.207 -5.308 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.347 -7.710 -6.551 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.753 -7.324 -5.578 1.00 0.32 H new ATOM 399 N LEU A 22 8.113 -8.897 -4.348 1.00 0.19 N ATOM 400 CA LEU A 22 7.677 -10.023 -3.526 1.00 0.16 C ATOM 401 C LEU A 22 6.164 -10.152 -3.661 1.00 0.17 C ATOM 402 O LEU A 22 5.497 -9.174 -3.993 1.00 0.19 O ATOM 403 CB LEU A 22 8.064 -9.801 -2.053 1.00 0.14 C ATOM 404 CG LEU A 22 8.363 -11.064 -1.216 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.583 -12.278 -2.098 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.594 -10.841 -0.360 1.00 0.18 C ATOM 0 H LEU A 22 7.352 -8.298 -4.668 1.00 0.19 H new ATOM 0 HA LEU A 22 8.165 -10.938 -3.863 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.944 -9.159 -2.026 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.255 -9.255 -1.567 1.00 0.14 H new ATOM 0 HG LEU A 22 7.496 -11.251 -0.582 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.791 -13.148 -1.475 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.688 -12.463 -2.692 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.428 -12.097 -2.762 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.797 -11.737 0.226 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.449 -10.626 -1.001 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.423 -9.999 0.311 1.00 0.18 H new ATOM 418 N ASP A 23 5.631 -11.344 -3.421 1.00 0.18 N ATOM 419 CA ASP A 23 4.188 -11.578 -3.484 1.00 0.21 C ATOM 420 C ASP A 23 3.849 -13.004 -3.097 1.00 0.23 C ATOM 421 O ASP A 23 4.152 -13.934 -3.833 1.00 0.26 O ATOM 422 CB ASP A 23 3.613 -11.293 -4.883 1.00 0.29 C ATOM 423 CG ASP A 23 4.087 -12.253 -5.966 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.293 -12.241 -6.310 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.247 -13.028 -6.480 1.00 1.13 O ATOM 0 H ASP A 23 6.178 -12.170 -3.179 1.00 0.18 H new ATOM 0 HA ASP A 23 3.736 -10.886 -2.774 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.525 -11.333 -4.830 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.881 -10.277 -5.173 1.00 0.29 H new ATOM 430 N LYS A 24 3.238 -13.156 -1.921 1.00 0.23 N ATOM 431 CA LYS A 24 2.650 -14.424 -1.436 1.00 0.28 C ATOM 432 C LYS A 24 3.545 -15.660 -1.590 1.00 0.28 C ATOM 433 O LYS A 24 3.099 -16.779 -1.340 1.00 0.34 O ATOM 434 CB LYS A 24 1.291 -14.668 -2.109 1.00 0.35 C ATOM 435 CG LYS A 24 1.358 -14.725 -3.621 1.00 0.37 C ATOM 436 CD LYS A 24 1.199 -16.136 -4.142 1.00 0.43 C ATOM 437 CE LYS A 24 2.384 -16.510 -5.005 1.00 0.50 C ATOM 438 NZ LYS A 24 2.485 -15.640 -6.211 1.00 1.42 N ATOM 0 H LYS A 24 3.131 -12.389 -1.258 1.00 0.23 H new ATOM 0 HA LYS A 24 2.531 -14.290 -0.361 1.00 0.28 H new ATOM 0 HB2 LYS A 24 0.875 -15.605 -1.738 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.603 -13.875 -1.815 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.577 -14.093 -4.043 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.312 -14.320 -3.957 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.113 -16.832 -3.308 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.279 -16.217 -4.720 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.300 -16.429 -4.420 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.295 -17.551 -5.314 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.082 -16.104 -6.925 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.536 -15.480 -6.604 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.908 -14.728 -5.946 1.00 1.42 H new ATOM 452 N ASN A 25 4.796 -15.471 -1.970 1.00 0.25 N ATOM 453 CA ASN A 25 5.729 -16.574 -2.042 1.00 0.28 C ATOM 454 C ASN A 25 6.538 -16.610 -0.765 1.00 0.25 C ATOM 455 O ASN A 25 6.908 -17.667 -0.254 1.00 0.31 O ATOM 456 CB ASN A 25 6.684 -16.450 -3.235 1.00 0.31 C ATOM 457 CG ASN A 25 6.040 -16.785 -4.566 1.00 0.35 C ATOM 458 OD1 ASN A 25 5.968 -17.949 -4.956 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.600 -15.770 -5.285 1.00 0.37 N ATOM 0 H ASN A 25 5.186 -14.566 -2.232 1.00 0.25 H new ATOM 0 HA ASN A 25 5.155 -17.491 -2.172 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.072 -15.432 -3.275 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.537 -17.110 -3.077 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.182 -15.937 -6.200 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.678 -14.819 -4.926 1.00 0.37 H new ATOM 466 N ALA A 26 6.801 -15.417 -0.261 1.00 0.20 N ATOM 467 CA ALA A 26 7.551 -15.232 0.959 1.00 0.19 C ATOM 468 C ALA A 26 6.647 -15.349 2.152 1.00 0.19 C ATOM 469 O ALA A 26 5.420 -15.287 2.043 1.00 0.24 O ATOM 470 CB ALA A 26 8.217 -13.875 0.958 1.00 0.18 C ATOM 0 H ALA A 26 6.496 -14.545 -0.694 1.00 0.20 H new ATOM 0 HA ALA A 26 8.315 -16.008 1.016 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.780 -13.745 1.882 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.895 -13.803 0.107 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.457 -13.097 0.884 1.00 0.18 H new ATOM 476 N THR A 27 7.271 -15.524 3.285 1.00 0.21 N ATOM 477 CA THR A 27 6.577 -15.578 4.537 1.00 0.24 C ATOM 478 C THR A 27 6.378 -14.161 5.035 1.00 0.21 C ATOM 479 O THR A 27 6.853 -13.215 4.402 1.00 0.21 O ATOM 480 CB THR A 27 7.411 -16.382 5.543 1.00 0.30 C ATOM 481 OG1 THR A 27 8.575 -15.637 5.921 1.00 0.33 O ATOM 482 CG2 THR A 27 7.861 -17.682 4.912 1.00 0.35 C ATOM 0 H THR A 27 8.282 -15.634 3.363 1.00 0.21 H new ATOM 0 HA THR A 27 5.608 -16.063 4.418 1.00 0.24 H new ATOM 0 HB THR A 27 6.797 -16.583 6.421 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.302 -16.256 6.142 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.453 -18.249 5.630 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.988 -18.266 4.619 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.466 -17.468 4.031 1.00 0.35 H new ATOM 490 N SER A 28 5.714 -14.000 6.164 1.00 0.26 N ATOM 491 CA SER A 28 5.566 -12.685 6.759 1.00 0.32 C ATOM 492 C SER A 28 6.929 -12.102 7.113 1.00 0.31 C ATOM 493 O SER A 28 7.058 -10.922 7.418 1.00 0.41 O ATOM 494 CB SER A 28 4.636 -12.734 7.974 1.00 0.40 C ATOM 495 OG SER A 28 4.944 -13.824 8.829 1.00 1.54 O ATOM 0 H SER A 28 5.271 -14.757 6.685 1.00 0.26 H new ATOM 0 HA SER A 28 5.103 -12.024 6.026 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.716 -11.801 8.531 1.00 0.40 H new ATOM 0 HB3 SER A 28 3.602 -12.816 7.638 1.00 0.40 H new ATOM 0 HG SER A 28 4.332 -13.823 9.594 1.00 1.54 H new ATOM 501 N ASP A 29 7.943 -12.947 7.078 1.00 0.27 N ATOM 502 CA ASP A 29 9.308 -12.506 7.281 1.00 0.34 C ATOM 503 C ASP A 29 9.856 -11.808 6.037 1.00 0.32 C ATOM 504 O ASP A 29 10.202 -10.629 6.098 1.00 0.44 O ATOM 505 CB ASP A 29 10.217 -13.673 7.668 1.00 0.38 C ATOM 506 CG ASP A 29 9.938 -14.191 9.062 1.00 0.97 C ATOM 507 OD1 ASP A 29 10.077 -13.410 10.028 1.00 0.96 O ATOM 508 OD2 ASP A 29 9.588 -15.381 9.201 1.00 1.68 O ATOM 0 H ASP A 29 7.844 -13.948 6.910 1.00 0.27 H new ATOM 0 HA ASP A 29 9.295 -11.790 8.103 1.00 0.34 H new ATOM 0 HB2 ASP A 29 10.087 -14.483 6.951 1.00 0.38 H new ATOM 0 HB3 ASP A 29 11.258 -13.355 7.604 1.00 0.38 H new ATOM 513 N ASP A 30 9.901 -12.509 4.893 1.00 0.22 N ATOM 514 CA ASP A 30 10.614 -11.969 3.730 1.00 0.21 C ATOM 515 C ASP A 30 9.816 -10.854 3.067 1.00 0.16 C ATOM 516 O ASP A 30 10.387 -9.846 2.649 1.00 0.17 O ATOM 517 CB ASP A 30 10.945 -13.064 2.715 1.00 0.23 C ATOM 518 CG ASP A 30 12.249 -12.791 1.986 1.00 0.89 C ATOM 519 OD1 ASP A 30 12.259 -11.962 1.052 1.00 1.81 O ATOM 520 OD2 ASP A 30 13.276 -13.402 2.351 1.00 1.22 O ATOM 0 H ASP A 30 9.467 -13.421 4.751 1.00 0.22 H new ATOM 0 HA ASP A 30 11.554 -11.552 4.093 1.00 0.21 H new ATOM 0 HB2 ASP A 30 11.010 -14.024 3.227 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.135 -13.143 1.990 1.00 0.23 H new ATOM 525 N ILE A 31 8.500 -11.045 2.972 1.00 0.14 N ATOM 526 CA ILE A 31 7.597 -10.015 2.467 1.00 0.14 C ATOM 527 C ILE A 31 7.899 -8.650 3.089 1.00 0.14 C ATOM 528 O ILE A 31 8.049 -7.651 2.383 1.00 0.16 O ATOM 529 CB ILE A 31 6.124 -10.364 2.778 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.715 -11.702 2.155 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.204 -9.251 2.292 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.530 -11.664 0.659 1.00 0.42 C ATOM 0 H ILE A 31 8.034 -11.912 3.241 1.00 0.14 H new ATOM 0 HA ILE A 31 7.752 -9.971 1.389 1.00 0.14 H new ATOM 0 HB ILE A 31 6.028 -10.460 3.859 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.473 -12.447 2.396 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.784 -12.033 2.615 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.169 -9.510 2.517 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.463 -8.319 2.795 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.321 -9.127 1.215 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.241 -12.653 0.303 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.750 -10.946 0.407 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.465 -11.366 0.184 1.00 0.42 H new ATOM 544 N LYS A 32 7.997 -8.619 4.414 1.00 0.17 N ATOM 545 CA LYS A 32 8.180 -7.365 5.132 1.00 0.21 C ATOM 546 C LYS A 32 9.569 -6.787 4.893 1.00 0.20 C ATOM 547 O LYS A 32 9.733 -5.574 4.789 1.00 0.21 O ATOM 548 CB LYS A 32 7.931 -7.558 6.626 1.00 0.29 C ATOM 549 CG LYS A 32 6.543 -8.095 6.930 1.00 0.33 C ATOM 550 CD LYS A 32 5.468 -7.261 6.261 1.00 0.35 C ATOM 551 CE LYS A 32 4.122 -7.959 6.276 1.00 0.43 C ATOM 552 NZ LYS A 32 3.575 -8.107 7.651 1.00 0.88 N ATOM 0 H LYS A 32 7.953 -9.446 5.010 1.00 0.17 H new ATOM 0 HA LYS A 32 7.450 -6.653 4.747 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.676 -8.244 7.028 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.066 -6.605 7.138 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.468 -9.128 6.590 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.382 -8.102 8.008 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.385 -6.300 6.769 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.758 -7.053 5.231 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.416 -7.395 5.666 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.221 -8.944 5.820 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.655 -8.589 7.608 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.234 -8.668 8.228 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.454 -7.167 8.079 1.00 0.88 H new ATOM 566 N LYS A 33 10.566 -7.658 4.795 1.00 0.21 N ATOM 567 CA LYS A 33 11.928 -7.233 4.479 1.00 0.22 C ATOM 568 C LYS A 33 11.966 -6.595 3.104 1.00 0.19 C ATOM 569 O LYS A 33 12.598 -5.562 2.905 1.00 0.19 O ATOM 570 CB LYS A 33 12.880 -8.424 4.498 1.00 0.28 C ATOM 571 CG LYS A 33 12.925 -9.155 5.823 1.00 0.35 C ATOM 572 CD LYS A 33 13.522 -8.288 6.915 1.00 0.49 C ATOM 573 CE LYS A 33 13.632 -9.045 8.227 1.00 0.62 C ATOM 574 NZ LYS A 33 14.387 -8.275 9.248 1.00 1.41 N ATOM 0 H LYS A 33 10.459 -8.663 4.929 1.00 0.21 H new ATOM 0 HA LYS A 33 12.242 -6.510 5.232 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.584 -9.125 3.718 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.884 -8.078 4.251 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.917 -9.458 6.107 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.514 -10.066 5.717 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.510 -7.943 6.608 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.904 -7.401 7.056 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.633 -9.266 8.604 1.00 0.62 H new ATOM 0 HE3 LYS A 33 14.126 -10.001 8.054 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 14.440 -8.825 10.129 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 15.348 -8.086 8.899 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 13.902 -7.374 9.432 1.00 1.41 H new ATOM 588 N SER A 34 11.272 -7.227 2.164 1.00 0.18 N ATOM 589 CA SER A 34 11.187 -6.734 0.793 1.00 0.18 C ATOM 590 C SER A 34 10.651 -5.313 0.771 1.00 0.19 C ATOM 591 O SER A 34 10.974 -4.531 -0.119 1.00 0.30 O ATOM 592 CB SER A 34 10.281 -7.633 -0.044 1.00 0.21 C ATOM 593 OG SER A 34 10.372 -7.314 -1.423 1.00 0.26 O ATOM 0 H SER A 34 10.755 -8.091 2.329 1.00 0.18 H new ATOM 0 HA SER A 34 12.191 -6.744 0.368 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.558 -8.676 0.109 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.249 -7.525 0.289 1.00 0.21 H new ATOM 0 HG SER A 34 10.834 -8.037 -1.896 1.00 0.26 H new ATOM 599 N TYR A 35 9.818 -4.994 1.745 1.00 0.17 N ATOM 600 CA TYR A 35 9.340 -3.638 1.916 1.00 0.18 C ATOM 601 C TYR A 35 10.418 -2.786 2.551 1.00 0.18 C ATOM 602 O TYR A 35 10.820 -1.789 2.000 1.00 0.26 O ATOM 603 CB TYR A 35 8.084 -3.603 2.789 1.00 0.22 C ATOM 604 CG TYR A 35 7.820 -2.247 3.419 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.417 -1.168 2.650 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.977 -2.050 4.787 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.177 0.067 3.219 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.737 -0.817 5.364 1.00 0.38 C ATOM 609 CZ TYR A 35 7.336 0.238 4.575 1.00 0.42 C ATOM 610 OH TYR A 35 7.093 1.469 5.143 1.00 0.51 O ATOM 0 H TYR A 35 9.459 -5.659 2.430 1.00 0.17 H new ATOM 0 HA TYR A 35 9.090 -3.242 0.932 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.223 -3.887 2.184 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.179 -4.349 3.578 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.288 -1.295 1.585 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.292 -2.875 5.409 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.865 0.896 2.601 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.863 -0.682 6.428 1.00 0.38 H new ATOM 0 HH TYR A 35 6.210 1.790 4.863 1.00 0.51 H new ATOM 620 N ARG A 36 10.893 -3.229 3.696 1.00 0.16 N ATOM 621 CA ARG A 36 11.749 -2.423 4.561 1.00 0.19 C ATOM 622 C ARG A 36 13.019 -1.949 3.872 1.00 0.21 C ATOM 623 O ARG A 36 13.184 -0.759 3.635 1.00 0.23 O ATOM 624 CB ARG A 36 12.115 -3.205 5.804 1.00 0.25 C ATOM 625 CG ARG A 36 10.939 -3.418 6.726 1.00 0.29 C ATOM 626 CD ARG A 36 11.381 -4.015 8.040 1.00 0.42 C ATOM 627 NE ARG A 36 10.294 -4.082 9.010 1.00 0.83 N ATOM 628 CZ ARG A 36 10.406 -3.685 10.274 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.560 -3.201 10.723 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.367 -3.778 11.086 1.00 1.74 N ATOM 0 H ARG A 36 10.699 -4.162 4.060 1.00 0.16 H new ATOM 0 HA ARG A 36 11.174 -1.535 4.824 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.523 -4.173 5.512 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.902 -2.677 6.342 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.437 -2.467 6.905 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.214 -4.077 6.249 1.00 0.29 H new ATOM 0 HD2 ARG A 36 11.774 -5.017 7.868 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.196 -3.420 8.451 1.00 0.42 H new ATOM 0 HE ARG A 36 9.396 -4.455 8.701 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.363 -3.133 10.097 1.00 1.53 H new ATOM 0 HH12 ARG A 36 11.643 -2.897 11.693 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.483 -4.153 10.742 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.449 -3.474 12.056 1.00 1.74 H new ATOM 644 N LYS A 37 13.905 -2.882 3.553 1.00 0.35 N ATOM 645 CA LYS A 37 15.199 -2.556 2.939 1.00 0.45 C ATOM 646 C LYS A 37 15.018 -1.717 1.674 1.00 0.40 C ATOM 647 O LYS A 37 15.910 -0.977 1.263 1.00 0.43 O ATOM 648 CB LYS A 37 15.947 -3.849 2.598 1.00 0.67 C ATOM 649 CG LYS A 37 15.186 -4.740 1.629 1.00 0.78 C ATOM 650 CD LYS A 37 15.798 -6.124 1.518 1.00 1.04 C ATOM 651 CE LYS A 37 14.877 -7.073 0.764 1.00 0.85 C ATOM 652 NZ LYS A 37 15.402 -8.463 0.737 1.00 1.37 N ATOM 0 H LYS A 37 13.756 -3.879 3.708 1.00 0.35 H new ATOM 0 HA LYS A 37 15.777 -1.971 3.654 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.916 -3.598 2.167 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.140 -4.403 3.517 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.150 -4.828 1.957 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.170 -4.272 0.645 1.00 0.78 H new ATOM 0 HD2 LYS A 37 16.758 -6.060 1.005 1.00 1.04 H new ATOM 0 HD3 LYS A 37 15.995 -6.519 2.515 1.00 1.04 H new ATOM 0 HE2 LYS A 37 13.892 -7.068 1.231 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.748 -6.716 -0.258 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 14.742 -9.073 0.213 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 16.330 -8.474 0.268 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 15.501 -8.816 1.710 1.00 1.37 H new ATOM 666 N LEU A 38 13.858 -1.861 1.067 1.00 0.45 N ATOM 667 CA LEU A 38 13.521 -1.181 -0.164 1.00 0.61 C ATOM 668 C LEU A 38 12.799 0.148 0.147 1.00 0.60 C ATOM 669 O LEU A 38 12.828 1.093 -0.639 1.00 0.76 O ATOM 670 CB LEU A 38 12.726 -2.212 -1.010 1.00 1.00 C ATOM 671 CG LEU A 38 11.583 -1.758 -1.921 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.392 -1.312 -1.097 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.031 -0.681 -2.895 1.00 0.44 C ATOM 0 H LEU A 38 13.114 -2.462 1.421 1.00 0.45 H new ATOM 0 HA LEU A 38 14.384 -0.865 -0.751 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.447 -2.737 -1.637 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.313 -2.945 -0.317 1.00 1.00 H new ATOM 0 HG LEU A 38 11.274 -2.612 -2.523 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.589 -0.993 -1.761 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.045 -2.141 -0.481 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.684 -0.481 -0.455 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.191 -0.386 -3.523 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.390 0.185 -2.340 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.834 -1.069 -3.522 1.00 0.44 H new ATOM 685 N ALA A 39 12.222 0.225 1.342 1.00 0.49 N ATOM 686 CA ALA A 39 11.430 1.372 1.775 1.00 0.59 C ATOM 687 C ALA A 39 12.310 2.547 2.152 1.00 0.57 C ATOM 688 O ALA A 39 12.162 3.633 1.592 1.00 0.72 O ATOM 689 CB ALA A 39 10.532 0.998 2.944 1.00 0.59 C ATOM 0 H ALA A 39 12.291 -0.513 2.043 1.00 0.49 H new ATOM 0 HA ALA A 39 10.807 1.672 0.932 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.951 1.868 3.250 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.856 0.198 2.642 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.145 0.659 3.779 1.00 0.59 H new ATOM 695 N LEU A 40 13.242 2.350 3.091 1.00 0.44 N ATOM 696 CA LEU A 40 14.156 3.439 3.441 1.00 0.51 C ATOM 697 C LEU A 40 15.086 3.753 2.268 1.00 0.46 C ATOM 698 O LEU A 40 15.784 4.763 2.258 1.00 0.58 O ATOM 699 CB LEU A 40 14.954 3.204 4.751 1.00 0.56 C ATOM 700 CG LEU A 40 15.578 1.818 5.019 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.544 0.855 5.572 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.247 1.238 3.782 1.00 0.44 C ATOM 0 H LEU A 40 13.381 1.480 3.605 1.00 0.44 H new ATOM 0 HA LEU A 40 13.529 4.307 3.645 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.760 3.937 4.779 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.289 3.430 5.584 1.00 0.56 H new ATOM 0 HG LEU A 40 16.356 1.960 5.769 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.009 -0.114 5.752 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.146 1.246 6.508 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.733 0.740 4.853 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.671 0.263 4.021 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.509 1.128 2.987 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.041 1.907 3.450 1.00 0.44 H new ATOM 714 N LYS A 41 15.040 2.895 1.261 1.00 0.37 N ATOM 715 CA LYS A 41 15.819 3.072 0.054 1.00 0.40 C ATOM 716 C LYS A 41 15.141 4.117 -0.840 1.00 0.39 C ATOM 717 O LYS A 41 15.780 4.738 -1.685 1.00 0.48 O ATOM 718 CB LYS A 41 15.976 1.699 -0.623 1.00 0.51 C ATOM 719 CG LYS A 41 16.536 1.704 -2.036 1.00 0.62 C ATOM 720 CD LYS A 41 15.415 1.685 -3.059 1.00 0.65 C ATOM 721 CE LYS A 41 15.885 1.244 -4.436 1.00 0.72 C ATOM 722 NZ LYS A 41 16.977 2.097 -4.972 1.00 1.41 N ATOM 0 H LYS A 41 14.459 2.056 1.261 1.00 0.37 H new ATOM 0 HA LYS A 41 16.818 3.451 0.269 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.625 1.083 -0.000 1.00 0.51 H new ATOM 0 HB3 LYS A 41 15.000 1.214 -0.644 1.00 0.51 H new ATOM 0 HG2 LYS A 41 17.155 2.589 -2.184 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.181 0.837 -2.180 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.627 1.014 -2.716 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.977 2.681 -3.131 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.229 0.211 -4.384 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.042 1.264 -5.127 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.212 1.794 -5.939 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.667 3.090 -4.986 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.818 2.005 -4.367 1.00 1.41 H new ATOM 736 N TYR A 42 13.849 4.336 -0.603 1.00 0.36 N ATOM 737 CA TYR A 42 13.089 5.357 -1.321 1.00 0.36 C ATOM 738 C TYR A 42 12.650 6.482 -0.390 1.00 0.40 C ATOM 739 O TYR A 42 11.877 7.350 -0.779 1.00 0.40 O ATOM 740 CB TYR A 42 11.854 4.751 -1.986 1.00 0.33 C ATOM 741 CG TYR A 42 12.140 4.096 -3.312 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.216 4.852 -4.473 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.330 2.730 -3.406 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.477 4.259 -5.693 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.588 2.128 -4.620 1.00 0.43 C ATOM 746 CZ TYR A 42 12.661 2.897 -5.762 1.00 0.45 C ATOM 747 OH TYR A 42 12.919 2.299 -6.973 1.00 0.52 O ATOM 0 H TYR A 42 13.304 3.816 0.085 1.00 0.36 H new ATOM 0 HA TYR A 42 13.749 5.767 -2.085 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.415 4.014 -1.314 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.109 5.534 -2.131 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.069 5.921 -4.422 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.276 2.124 -2.514 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.536 4.861 -6.588 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.732 1.059 -4.676 1.00 0.43 H new ATOM 0 HH TYR A 42 13.024 1.333 -6.845 1.00 0.52 H new ATOM 757 N HIS A 43 13.135 6.468 0.843 1.00 0.46 N ATOM 758 CA HIS A 43 12.759 7.499 1.802 1.00 0.53 C ATOM 759 C HIS A 43 13.434 8.814 1.429 1.00 0.56 C ATOM 760 O HIS A 43 14.657 8.884 1.389 1.00 0.62 O ATOM 761 CB HIS A 43 13.159 7.094 3.227 1.00 0.62 C ATOM 762 CG HIS A 43 12.162 7.502 4.272 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.501 7.765 5.584 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.820 7.667 4.195 1.00 0.87 C ATOM 765 CE1 HIS A 43 11.411 8.073 6.265 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.380 8.021 5.444 1.00 0.87 N ATOM 0 H HIS A 43 13.781 5.765 1.201 1.00 0.46 H new ATOM 0 HA HIS A 43 11.676 7.621 1.773 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.290 6.013 3.265 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.125 7.540 3.465 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.209 7.543 3.313 1.00 0.87 H new ATOM 0 HE1 HIS A 43 11.371 8.324 7.315 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.411 8.213 5.698 1.00 0.87 H new ATOM 775 N PRO A 44 12.650 9.867 1.138 1.00 0.54 N ATOM 776 CA PRO A 44 13.182 11.196 0.783 1.00 0.58 C ATOM 777 C PRO A 44 14.086 11.772 1.869 1.00 0.68 C ATOM 778 O PRO A 44 14.903 12.653 1.611 1.00 0.72 O ATOM 779 CB PRO A 44 11.932 12.065 0.626 1.00 0.58 C ATOM 780 CG PRO A 44 10.839 11.299 1.292 1.00 0.57 C ATOM 781 CD PRO A 44 11.181 9.853 1.108 1.00 0.51 C ATOM 0 HA PRO A 44 13.799 11.149 -0.114 1.00 0.58 H new ATOM 0 HB2 PRO A 44 12.070 13.041 1.092 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.705 12.242 -0.425 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.772 11.553 2.350 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.872 11.531 0.847 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.765 9.233 1.902 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.798 9.462 0.165 1.00 0.51 H new ATOM 789 N ASP A 45 13.921 11.279 3.087 1.00 0.74 N ATOM 790 CA ASP A 45 14.794 11.651 4.192 1.00 0.85 C ATOM 791 C ASP A 45 16.213 11.152 3.935 1.00 0.89 C ATOM 792 O ASP A 45 17.192 11.800 4.300 1.00 0.96 O ATOM 793 CB ASP A 45 14.255 11.067 5.498 1.00 0.92 C ATOM 794 CG ASP A 45 15.161 11.338 6.683 1.00 1.06 C ATOM 795 OD1 ASP A 45 15.028 12.411 7.309 1.00 1.11 O ATOM 796 OD2 ASP A 45 16.003 10.473 7.001 1.00 1.16 O ATOM 0 H ASP A 45 13.187 10.617 3.337 1.00 0.74 H new ATOM 0 HA ASP A 45 14.819 12.738 4.274 1.00 0.85 H new ATOM 0 HB2 ASP A 45 13.269 11.486 5.698 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.127 9.991 5.383 1.00 0.92 H new ATOM 801 N LYS A 46 16.312 10.002 3.280 1.00 0.87 N ATOM 802 CA LYS A 46 17.607 9.418 2.952 1.00 0.94 C ATOM 803 C LYS A 46 17.998 9.791 1.533 1.00 0.90 C ATOM 804 O LYS A 46 19.166 9.703 1.149 1.00 0.99 O ATOM 805 CB LYS A 46 17.569 7.895 3.079 1.00 1.00 C ATOM 806 CG LYS A 46 16.821 7.393 4.301 1.00 1.04 C ATOM 807 CD LYS A 46 17.227 5.973 4.650 1.00 1.13 C ATOM 808 CE LYS A 46 18.679 5.899 5.091 1.00 1.57 C ATOM 809 NZ LYS A 46 18.922 6.693 6.326 1.00 2.08 N ATOM 0 H LYS A 46 15.511 9.455 2.965 1.00 0.87 H new ATOM 0 HA LYS A 46 18.342 9.811 3.655 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.104 7.478 2.185 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.591 7.518 3.112 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.021 8.049 5.148 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.748 7.431 4.115 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.585 5.595 5.446 1.00 1.13 H new ATOM 0 HD3 LYS A 46 17.076 5.328 3.785 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.953 4.859 5.268 1.00 1.57 H new ATOM 0 HE3 LYS A 46 19.321 6.266 4.290 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 19.830 6.411 6.747 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.950 7.705 6.088 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 18.156 6.519 7.007 1.00 2.08 H new ATOM 823 N ASN A 47 17.008 10.206 0.757 1.00 0.79 N ATOM 824 CA ASN A 47 17.221 10.566 -0.634 1.00 0.77 C ATOM 825 C ASN A 47 16.615 11.934 -0.914 1.00 0.74 C ATOM 826 O ASN A 47 15.529 12.043 -1.488 1.00 0.66 O ATOM 827 CB ASN A 47 16.603 9.531 -1.576 1.00 0.69 C ATOM 828 CG ASN A 47 17.067 8.113 -1.300 1.00 0.74 C ATOM 829 OD1 ASN A 47 18.047 7.641 -1.874 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.373 7.422 -0.408 1.00 0.71 N ATOM 0 H ASN A 47 16.042 10.302 1.072 1.00 0.79 H new ATOM 0 HA ASN A 47 18.296 10.595 -0.813 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.517 9.574 -1.489 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.851 9.793 -2.605 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.646 6.467 -0.178 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.565 7.845 0.049 1.00 0.71 H new ATOM 837 N PRO A 48 17.289 12.991 -0.460 1.00 0.82 N ATOM 838 CA PRO A 48 16.874 14.371 -0.708 1.00 0.84 C ATOM 839 C PRO A 48 16.953 14.727 -2.185 1.00 0.84 C ATOM 840 O PRO A 48 17.656 14.064 -2.952 1.00 0.86 O ATOM 841 CB PRO A 48 17.885 15.198 0.088 1.00 0.93 C ATOM 842 CG PRO A 48 19.073 14.310 0.217 1.00 0.99 C ATOM 843 CD PRO A 48 18.514 12.925 0.344 1.00 0.92 C ATOM 0 HA PRO A 48 15.839 14.547 -0.416 1.00 0.84 H new ATOM 0 HB2 PRO A 48 18.136 16.124 -0.430 1.00 0.93 H new ATOM 0 HB3 PRO A 48 17.489 15.476 1.065 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.724 14.394 -0.653 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.671 14.575 1.089 1.00 0.99 H new ATOM 0 HD2 PRO A 48 19.206 12.174 -0.036 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.303 12.668 1.382 1.00 0.92 H new ATOM 851 N ASP A 49 16.209 15.764 -2.572 1.00 0.85 N ATOM 852 CA ASP A 49 16.173 16.238 -3.957 1.00 0.89 C ATOM 853 C ASP A 49 15.446 15.225 -4.836 1.00 0.82 C ATOM 854 O ASP A 49 15.504 15.275 -6.065 1.00 0.88 O ATOM 855 CB ASP A 49 17.596 16.498 -4.478 1.00 0.98 C ATOM 856 CG ASP A 49 17.622 17.286 -5.774 1.00 1.08 C ATOM 857 OD1 ASP A 49 17.375 18.509 -5.732 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.917 16.697 -6.835 1.00 1.09 O ATOM 0 H ASP A 49 15.616 16.298 -1.937 1.00 0.85 H new ATOM 0 HA ASP A 49 15.627 17.181 -3.992 1.00 0.89 H new ATOM 0 HB2 ASP A 49 18.161 17.040 -3.719 1.00 0.98 H new ATOM 0 HB3 ASP A 49 18.101 15.544 -4.630 1.00 0.98 H new ATOM 863 N ASN A 50 14.732 14.314 -4.192 1.00 0.74 N ATOM 864 CA ASN A 50 13.985 13.293 -4.902 1.00 0.68 C ATOM 865 C ASN A 50 12.550 13.251 -4.394 1.00 0.64 C ATOM 866 O ASN A 50 12.243 12.579 -3.407 1.00 0.61 O ATOM 867 CB ASN A 50 14.636 11.916 -4.749 1.00 0.65 C ATOM 868 CG ASN A 50 14.111 10.920 -5.758 1.00 0.64 C ATOM 869 OD1 ASN A 50 13.002 11.063 -6.279 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.889 9.893 -6.030 1.00 0.74 N ATOM 0 H ASN A 50 14.656 14.263 -3.176 1.00 0.74 H new ATOM 0 HA ASN A 50 13.987 13.549 -5.961 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.716 12.012 -4.864 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.455 11.540 -3.742 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.581 9.181 -6.692 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.800 9.810 -5.579 1.00 0.74 H new ATOM 877 N PRO A 51 11.659 14.005 -5.045 1.00 0.67 N ATOM 878 CA PRO A 51 10.243 14.050 -4.691 1.00 0.68 C ATOM 879 C PRO A 51 9.525 12.783 -5.127 1.00 0.66 C ATOM 880 O PRO A 51 8.572 12.336 -4.487 1.00 0.67 O ATOM 881 CB PRO A 51 9.704 15.260 -5.469 1.00 0.78 C ATOM 882 CG PRO A 51 10.900 15.926 -6.068 1.00 0.79 C ATOM 883 CD PRO A 51 11.961 14.877 -6.179 1.00 0.73 C ATOM 0 HA PRO A 51 10.091 14.130 -3.615 1.00 0.68 H new ATOM 0 HB2 PRO A 51 9.003 14.947 -6.243 1.00 0.78 H new ATOM 0 HB3 PRO A 51 9.167 15.941 -4.809 1.00 0.78 H new ATOM 0 HG2 PRO A 51 10.662 16.342 -7.047 1.00 0.79 H new ATOM 0 HG3 PRO A 51 11.237 16.753 -5.443 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.907 14.343 -7.128 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.962 15.303 -6.109 1.00 0.73 H new ATOM 891 N GLU A 52 10.005 12.210 -6.223 1.00 0.66 N ATOM 892 CA GLU A 52 9.451 10.973 -6.760 1.00 0.67 C ATOM 893 C GLU A 52 9.588 9.845 -5.752 1.00 0.57 C ATOM 894 O GLU A 52 8.711 8.991 -5.637 1.00 0.56 O ATOM 895 CB GLU A 52 10.176 10.587 -8.044 1.00 0.72 C ATOM 896 CG GLU A 52 10.218 11.698 -9.071 1.00 0.95 C ATOM 897 CD GLU A 52 10.823 11.242 -10.377 1.00 1.28 C ATOM 898 OE1 GLU A 52 10.093 10.632 -11.188 1.00 1.53 O ATOM 899 OE2 GLU A 52 12.030 11.480 -10.592 1.00 1.66 O ATOM 0 H GLU A 52 10.785 12.586 -6.762 1.00 0.66 H new ATOM 0 HA GLU A 52 8.395 11.138 -6.972 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.196 10.289 -7.801 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.686 9.717 -8.481 1.00 0.72 H new ATOM 0 HG2 GLU A 52 9.207 12.065 -9.249 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.796 12.534 -8.677 1.00 0.95 H new ATOM 906 N ALA A 53 10.696 9.858 -5.024 1.00 0.53 N ATOM 907 CA ALA A 53 10.981 8.836 -4.023 1.00 0.46 C ATOM 908 C ALA A 53 9.862 8.734 -2.990 1.00 0.42 C ATOM 909 O ALA A 53 9.549 7.645 -2.526 1.00 0.37 O ATOM 910 CB ALA A 53 12.310 9.119 -3.345 1.00 0.47 C ATOM 0 H ALA A 53 11.419 10.572 -5.109 1.00 0.53 H new ATOM 0 HA ALA A 53 11.043 7.876 -4.535 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.510 8.348 -2.600 1.00 0.47 H new ATOM 0 HB2 ALA A 53 13.106 9.119 -4.090 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.270 10.093 -2.857 1.00 0.47 H new ATOM 916 N ALA A 54 9.250 9.866 -2.649 1.00 0.45 N ATOM 917 CA ALA A 54 8.127 9.878 -1.714 1.00 0.44 C ATOM 918 C ALA A 54 6.959 9.076 -2.263 1.00 0.43 C ATOM 919 O ALA A 54 6.257 8.382 -1.527 1.00 0.41 O ATOM 920 CB ALA A 54 7.671 11.298 -1.447 1.00 0.51 C ATOM 0 H ALA A 54 9.512 10.785 -3.005 1.00 0.45 H new ATOM 0 HA ALA A 54 8.467 9.425 -0.783 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.834 11.286 -0.749 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.494 11.870 -1.018 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.357 11.761 -2.382 1.00 0.51 H new ATOM 926 N ASP A 55 6.764 9.189 -3.565 1.00 0.46 N ATOM 927 CA ASP A 55 5.683 8.504 -4.251 1.00 0.47 C ATOM 928 C ASP A 55 5.984 7.016 -4.348 1.00 0.39 C ATOM 929 O ASP A 55 5.115 6.175 -4.116 1.00 0.36 O ATOM 930 CB ASP A 55 5.501 9.117 -5.636 1.00 0.57 C ATOM 931 CG ASP A 55 4.414 8.441 -6.448 1.00 0.63 C ATOM 932 OD1 ASP A 55 3.221 8.637 -6.131 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.753 7.741 -7.425 1.00 0.66 O ATOM 0 H ASP A 55 7.350 9.758 -4.176 1.00 0.46 H new ATOM 0 HA ASP A 55 4.756 8.622 -3.689 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.262 10.175 -5.530 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.443 9.056 -6.180 1.00 0.57 H new ATOM 938 N LYS A 56 7.233 6.701 -4.665 1.00 0.39 N ATOM 939 CA LYS A 56 7.695 5.320 -4.689 1.00 0.34 C ATOM 940 C LYS A 56 7.591 4.717 -3.295 1.00 0.28 C ATOM 941 O LYS A 56 7.145 3.587 -3.123 1.00 0.26 O ATOM 942 CB LYS A 56 9.148 5.252 -5.145 1.00 0.38 C ATOM 943 CG LYS A 56 9.490 6.115 -6.350 1.00 0.48 C ATOM 944 CD LYS A 56 8.977 5.532 -7.656 1.00 0.64 C ATOM 945 CE LYS A 56 7.504 5.841 -7.888 1.00 0.83 C ATOM 946 NZ LYS A 56 7.003 5.279 -9.171 1.00 0.98 N ATOM 0 H LYS A 56 7.947 7.387 -4.910 1.00 0.39 H new ATOM 0 HA LYS A 56 7.070 4.761 -5.386 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.787 5.548 -4.313 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.390 4.216 -5.380 1.00 0.38 H new ATOM 0 HG2 LYS A 56 9.067 7.110 -6.210 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.572 6.234 -6.411 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.564 5.929 -8.484 1.00 0.64 H new ATOM 0 HD3 LYS A 56 9.123 4.452 -7.651 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.916 5.437 -7.063 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.357 6.921 -7.885 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.489 6.015 -9.695 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.806 4.945 -9.741 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.363 4.483 -8.975 1.00 0.98 H new ATOM 960 N PHE A 57 7.997 5.497 -2.301 1.00 0.27 N ATOM 961 CA PHE A 57 7.941 5.072 -0.909 1.00 0.24 C ATOM 962 C PHE A 57 6.507 4.780 -0.502 1.00 0.24 C ATOM 963 O PHE A 57 6.250 3.963 0.371 1.00 0.26 O ATOM 964 CB PHE A 57 8.541 6.143 0.010 1.00 0.27 C ATOM 965 CG PHE A 57 8.383 5.836 1.473 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.147 4.845 2.071 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.486 6.548 2.251 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.018 4.571 3.417 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.350 6.277 3.599 1.00 0.34 C ATOM 970 CZ PHE A 57 8.066 5.250 4.170 1.00 0.37 C ATOM 0 H PHE A 57 8.372 6.436 -2.436 1.00 0.27 H new ATOM 0 HA PHE A 57 8.529 4.160 -0.808 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.601 6.253 -0.217 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.068 7.101 -0.205 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.851 4.281 1.476 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.886 7.324 1.799 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.653 3.833 3.884 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.682 6.871 4.205 1.00 0.34 H new ATOM 0 HZ PHE A 57 7.889 4.972 5.199 1.00 0.37 H new ATOM 980 N LYS A 58 5.582 5.433 -1.165 1.00 0.26 N ATOM 981 CA LYS A 58 4.176 5.310 -0.843 1.00 0.28 C ATOM 982 C LYS A 58 3.576 4.021 -1.413 1.00 0.26 C ATOM 983 O LYS A 58 2.804 3.345 -0.733 1.00 0.29 O ATOM 984 CB LYS A 58 3.456 6.562 -1.341 1.00 0.32 C ATOM 985 CG LYS A 58 2.119 6.318 -2.023 1.00 0.36 C ATOM 986 CD LYS A 58 1.387 7.624 -2.294 1.00 0.52 C ATOM 987 CE LYS A 58 2.296 8.664 -2.936 1.00 0.79 C ATOM 988 NZ LYS A 58 1.556 9.904 -3.288 1.00 1.41 N ATOM 0 H LYS A 58 5.780 6.064 -1.942 1.00 0.26 H new ATOM 0 HA LYS A 58 4.049 5.236 0.237 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.296 7.230 -0.494 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.111 7.084 -2.039 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.279 5.788 -2.962 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.501 5.676 -1.396 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.536 7.434 -2.947 1.00 0.52 H new ATOM 0 HD3 LYS A 58 0.989 8.018 -1.359 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.109 8.908 -2.252 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.750 8.245 -3.834 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.209 10.587 -3.722 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.796 9.676 -3.961 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.144 10.318 -2.428 1.00 1.41 H new ATOM 1002 N GLU A 59 3.943 3.664 -2.640 1.00 0.25 N ATOM 1003 CA GLU A 59 3.468 2.413 -3.231 1.00 0.24 C ATOM 1004 C GLU A 59 4.109 1.220 -2.536 1.00 0.23 C ATOM 1005 O GLU A 59 3.459 0.201 -2.297 1.00 0.25 O ATOM 1006 CB GLU A 59 3.750 2.363 -4.740 1.00 0.28 C ATOM 1007 CG GLU A 59 5.203 2.595 -5.110 1.00 0.32 C ATOM 1008 CD GLU A 59 5.477 2.384 -6.583 1.00 0.40 C ATOM 1009 OE1 GLU A 59 5.665 1.225 -6.999 1.00 0.51 O ATOM 1010 OE2 GLU A 59 5.500 3.375 -7.339 1.00 0.54 O ATOM 0 H GLU A 59 4.559 4.213 -3.239 1.00 0.25 H new ATOM 0 HA GLU A 59 2.388 2.368 -3.089 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.440 1.391 -5.124 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.136 3.113 -5.238 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.485 3.612 -4.835 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.833 1.922 -4.528 1.00 0.32 H new ATOM 1017 N ILE A 60 5.385 1.352 -2.200 1.00 0.23 N ATOM 1018 CA ILE A 60 6.097 0.282 -1.520 1.00 0.24 C ATOM 1019 C ILE A 60 5.602 0.159 -0.092 1.00 0.24 C ATOM 1020 O ILE A 60 5.526 -0.937 0.457 1.00 0.27 O ATOM 1021 CB ILE A 60 7.627 0.494 -1.549 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.028 1.735 -0.757 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.107 0.602 -2.986 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.495 2.084 -0.860 1.00 0.28 C ATOM 0 H ILE A 60 5.944 2.184 -2.386 1.00 0.23 H new ATOM 0 HA ILE A 60 5.893 -0.646 -2.054 1.00 0.24 H new ATOM 0 HB ILE A 60 8.101 -0.367 -1.078 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.438 2.582 -1.107 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.775 1.581 0.292 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.187 0.751 -2.999 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.861 -0.315 -3.522 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.618 1.447 -3.470 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.699 2.977 -0.270 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.094 1.255 -0.482 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.752 2.272 -1.902 1.00 0.28 H new ATOM 1036 N ASN A 61 5.222 1.298 0.479 1.00 0.24 N ATOM 1037 CA ASN A 61 4.639 1.346 1.809 1.00 0.28 C ATOM 1038 C ASN A 61 3.331 0.564 1.830 1.00 0.29 C ATOM 1039 O ASN A 61 2.908 0.058 2.868 1.00 0.36 O ATOM 1040 CB ASN A 61 4.393 2.801 2.212 1.00 0.36 C ATOM 1041 CG ASN A 61 3.791 2.951 3.593 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.508 2.982 4.594 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.473 3.070 3.656 1.00 0.60 N ATOM 0 H ASN A 61 5.311 2.210 0.031 1.00 0.24 H new ATOM 0 HA ASN A 61 5.329 0.894 2.522 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.337 3.345 2.175 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.729 3.265 1.482 1.00 0.36 H new ATOM 0 HD21 ASN A 61 2.015 3.193 4.559 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.917 3.039 2.802 1.00 0.60 H new ATOM 1050 N ASN A 62 2.715 0.471 0.660 1.00 0.25 N ATOM 1051 CA ASN A 62 1.446 -0.218 0.490 1.00 0.27 C ATOM 1052 C ASN A 62 1.641 -1.728 0.441 1.00 0.22 C ATOM 1053 O ASN A 62 1.120 -2.453 1.275 1.00 0.20 O ATOM 1054 CB ASN A 62 0.794 0.220 -0.814 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.619 -0.275 -0.949 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.556 0.426 -0.609 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.775 -1.492 -1.450 1.00 0.21 N ATOM 0 H ASN A 62 3.084 0.874 -0.201 1.00 0.25 H new ATOM 0 HA ASN A 62 0.814 0.035 1.341 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.801 1.308 -0.872 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.385 -0.147 -1.653 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.711 -1.880 -1.565 1.00 0.21 H new ATOM 0 HD22 ASN A 62 0.041 -2.041 -1.720 1.00 0.21 H new ATOM 1064 N ALA A 63 2.408 -2.187 -0.551 1.00 0.20 N ATOM 1065 CA ALA A 63 2.548 -3.618 -0.842 1.00 0.18 C ATOM 1066 C ALA A 63 3.111 -4.403 0.347 1.00 0.14 C ATOM 1067 O ALA A 63 3.021 -5.629 0.388 1.00 0.14 O ATOM 1068 CB ALA A 63 3.434 -3.808 -2.061 1.00 0.19 C ATOM 0 H ALA A 63 2.946 -1.583 -1.172 1.00 0.20 H new ATOM 0 HA ALA A 63 1.552 -4.012 -1.042 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.536 -4.872 -2.274 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.985 -3.307 -2.919 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.418 -3.381 -1.866 1.00 0.19 H new ATOM 1074 N HIS A 64 3.674 -3.668 1.297 1.00 0.13 N ATOM 1075 CA HIS A 64 4.313 -4.215 2.494 1.00 0.11 C ATOM 1076 C HIS A 64 3.543 -5.389 3.124 1.00 0.13 C ATOM 1077 O HIS A 64 4.101 -6.472 3.295 1.00 0.20 O ATOM 1078 CB HIS A 64 4.506 -3.057 3.491 1.00 0.15 C ATOM 1079 CG HIS A 64 4.559 -3.433 4.944 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.521 -3.183 5.806 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.534 -3.999 5.689 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.848 -3.575 7.017 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.068 -4.077 6.978 1.00 0.96 N ATOM 0 H HIS A 64 3.701 -2.649 1.259 1.00 0.13 H new ATOM 0 HA HIS A 64 5.274 -4.645 2.212 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.430 -2.538 3.238 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.692 -2.346 3.351 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.631 -2.758 5.546 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.500 -4.329 5.336 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.224 -3.499 7.895 1.00 1.00 H new ATOM 1092 N ALA A 65 2.289 -5.178 3.491 1.00 0.14 N ATOM 1093 CA ALA A 65 1.526 -6.218 4.172 1.00 0.17 C ATOM 1094 C ALA A 65 0.751 -7.101 3.202 1.00 0.13 C ATOM 1095 O ALA A 65 0.670 -8.311 3.393 1.00 0.14 O ATOM 1096 CB ALA A 65 0.576 -5.599 5.185 1.00 0.25 C ATOM 0 H ALA A 65 1.781 -4.308 3.332 1.00 0.14 H new ATOM 0 HA ALA A 65 2.245 -6.855 4.687 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.013 -6.387 5.685 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.147 -5.037 5.923 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.115 -4.929 4.674 1.00 0.25 H new ATOM 1102 N ILE A 66 0.222 -6.492 2.148 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.785 -7.128 1.282 1.00 0.12 C ATOM 1104 C ILE A 66 -0.362 -8.503 0.776 1.00 0.13 C ATOM 1105 O ILE A 66 -1.189 -9.402 0.631 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.094 -6.278 0.038 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.612 -4.834 0.204 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.583 -6.319 -0.256 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.373 -4.028 1.229 1.00 0.14 C ATOM 0 H ILE A 66 0.473 -5.545 1.863 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.663 -7.224 1.920 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.551 -6.702 -0.807 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.442 -4.847 0.482 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.682 -4.329 -0.760 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.796 -5.715 -1.138 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.890 -7.349 -0.438 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.133 -5.922 0.597 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.962 -3.020 1.277 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.424 -3.978 0.945 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.283 -4.504 2.206 1.00 0.14 H new ATOM 1121 N LEU A 67 0.919 -8.645 0.484 1.00 0.12 N ATOM 1122 CA LEU A 67 1.449 -9.849 -0.148 1.00 0.14 C ATOM 1123 C LEU A 67 1.244 -11.079 0.725 1.00 0.16 C ATOM 1124 O LEU A 67 1.001 -12.176 0.228 1.00 0.21 O ATOM 1125 CB LEU A 67 2.936 -9.667 -0.417 1.00 0.15 C ATOM 1126 CG LEU A 67 3.318 -8.303 -0.979 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.807 -8.230 -1.235 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.533 -8.020 -2.245 1.00 0.16 C ATOM 0 H LEU A 67 1.623 -7.933 0.676 1.00 0.12 H new ATOM 0 HA LEU A 67 0.909 -10.003 -1.083 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.482 -9.828 0.512 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.262 -10.437 -1.116 1.00 0.15 H new ATOM 0 HG LEU A 67 3.068 -7.539 -0.243 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.060 -7.248 -1.636 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.345 -8.390 -0.301 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.091 -8.999 -1.953 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.815 -7.043 -2.637 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.753 -8.786 -2.988 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.466 -8.027 -2.021 1.00 0.16 H new ATOM 1140 N THR A 68 1.354 -10.886 2.021 1.00 0.15 N ATOM 1141 CA THR A 68 1.273 -11.986 2.965 1.00 0.18 C ATOM 1142 C THR A 68 0.029 -11.874 3.850 1.00 0.18 C ATOM 1143 O THR A 68 -0.488 -12.879 4.337 1.00 0.23 O ATOM 1144 CB THR A 68 2.547 -12.029 3.833 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.412 -12.981 4.896 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.848 -10.651 4.398 1.00 0.20 C ATOM 0 H THR A 68 1.501 -9.972 2.450 1.00 0.15 H new ATOM 0 HA THR A 68 1.193 -12.914 2.398 1.00 0.18 H new ATOM 0 HB THR A 68 3.378 -12.340 3.200 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.233 -12.992 5.432 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.750 -10.697 5.008 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.999 -9.947 3.579 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.011 -10.319 5.012 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.464 -10.658 4.030 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.605 -10.421 4.903 1.00 0.19 C ATOM 1156 C ASP A 69 -2.908 -10.647 4.149 1.00 0.17 C ATOM 1157 O ASP A 69 -3.213 -9.931 3.191 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.573 -8.995 5.449 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.407 -8.835 6.701 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.626 -9.099 6.652 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -1.852 -8.403 7.734 1.00 0.58 O ATOM 0 H ASP A 69 -0.092 -9.820 3.583 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.547 -11.123 5.735 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.542 -8.715 5.665 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.936 -8.308 4.684 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.674 -11.633 4.594 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.934 -11.985 3.950 1.00 0.21 C ATOM 1168 C ALA A 70 -5.944 -10.855 4.063 1.00 0.18 C ATOM 1169 O ALA A 70 -6.790 -10.687 3.191 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.508 -13.258 4.549 1.00 0.27 C ATOM 0 H ALA A 70 -3.443 -12.208 5.404 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.727 -12.156 2.894 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.448 -13.502 4.054 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.802 -14.076 4.410 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.687 -13.110 5.614 1.00 0.27 H new ATOM 1176 N THR A 71 -5.850 -10.078 5.133 1.00 0.17 N ATOM 1177 CA THR A 71 -6.768 -8.973 5.340 1.00 0.17 C ATOM 1178 C THR A 71 -6.537 -7.889 4.298 1.00 0.14 C ATOM 1179 O THR A 71 -7.462 -7.468 3.614 1.00 0.15 O ATOM 1180 CB THR A 71 -6.624 -8.367 6.746 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.867 -9.368 7.743 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.593 -7.211 6.928 1.00 0.21 C ATOM 0 H THR A 71 -5.150 -10.193 5.866 1.00 0.17 H new ATOM 0 HA THR A 71 -7.778 -9.370 5.240 1.00 0.17 H new ATOM 0 HB THR A 71 -5.606 -7.993 6.858 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.771 -8.972 8.634 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.478 -6.794 7.928 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.383 -6.440 6.187 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.615 -7.569 6.800 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.296 -7.455 4.161 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.961 -6.431 3.200 1.00 0.13 C ATOM 1192 C LYS A 72 -5.189 -6.952 1.793 1.00 0.12 C ATOM 1193 O LYS A 72 -5.645 -6.224 0.928 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.512 -5.966 3.377 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.264 -5.146 4.639 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.482 -5.958 5.905 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.117 -5.186 7.160 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.233 -6.034 8.378 1.00 0.71 N ATOM 0 H LYS A 72 -4.506 -7.800 4.706 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.608 -5.570 3.368 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.862 -6.841 3.393 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.225 -5.371 2.510 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.244 -4.763 4.626 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.928 -4.282 4.645 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.527 -6.264 5.961 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.885 -6.869 5.856 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.097 -4.810 7.073 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.769 -4.318 7.257 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.960 -5.479 9.214 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.216 -6.358 8.483 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.604 -6.858 8.289 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.904 -8.225 1.569 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.137 -8.827 0.265 1.00 0.15 C ATOM 1214 C ARG A 73 -6.634 -8.930 -0.004 1.00 0.16 C ATOM 1215 O ARG A 73 -7.071 -9.025 -1.152 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.492 -10.202 0.194 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.177 -10.655 -1.221 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.341 -9.626 -1.974 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.965 -10.109 -3.304 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.864 -9.741 -3.958 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.988 -8.916 -3.397 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.627 -10.211 -5.176 1.00 0.97 N ATOM 0 H ARG A 73 -4.514 -8.858 2.267 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.686 -8.194 -0.499 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.571 -10.192 0.777 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.156 -10.930 0.660 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.642 -11.604 -1.188 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.107 -10.833 -1.761 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.904 -8.697 -2.069 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.442 -9.397 -1.402 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.589 -10.773 -3.762 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.155 -8.558 -2.457 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.148 -8.641 -3.906 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -2.288 -10.854 -5.612 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.784 -9.929 -5.676 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.409 -8.903 1.065 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.857 -8.888 0.965 1.00 0.18 C ATOM 1238 C ASN A 74 -9.330 -7.504 0.561 1.00 0.17 C ATOM 1239 O ASN A 74 -10.277 -7.358 -0.208 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.474 -9.319 2.293 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.288 -10.593 2.177 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.945 -10.843 1.165 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.225 -11.422 3.207 1.00 0.43 N ATOM 0 H ASN A 74 -7.055 -8.891 2.022 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.178 -9.594 0.199 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.681 -9.466 3.026 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.112 -8.519 2.669 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.732 -12.306 3.182 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.669 -11.176 4.026 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.647 -6.486 1.068 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.894 -5.123 0.627 1.00 0.13 C ATOM 1252 C ILE A 75 -8.355 -4.938 -0.785 1.00 0.14 C ATOM 1253 O ILE A 75 -8.970 -4.269 -1.592 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.272 -4.058 1.576 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.141 -3.863 2.821 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.090 -2.719 0.858 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.202 -5.065 3.733 1.00 0.20 C ATOM 0 H ILE A 75 -7.923 -6.579 1.780 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.973 -4.969 0.644 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.293 -4.425 1.883 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.760 -3.012 3.386 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.153 -3.609 2.507 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.654 -1.994 1.545 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.428 -2.852 0.002 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.059 -2.356 0.514 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.838 -4.840 4.589 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.613 -5.915 3.188 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.198 -5.309 4.081 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.221 -5.570 -1.067 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.581 -5.530 -2.384 1.00 0.18 C ATOM 1271 C TYR A 76 -7.583 -5.772 -3.508 1.00 0.19 C ATOM 1272 O TYR A 76 -7.564 -5.091 -4.532 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.472 -6.590 -2.432 1.00 0.21 C ATOM 1274 CG TYR A 76 -4.964 -6.920 -3.819 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -3.943 -6.188 -4.396 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.506 -7.975 -4.547 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.473 -6.491 -5.656 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.038 -8.284 -5.810 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.021 -7.537 -6.359 1.00 0.41 C ATOM 1280 OH TYR A 76 -3.544 -7.837 -7.614 1.00 0.52 O ATOM 0 H TYR A 76 -6.712 -6.131 -0.384 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.160 -4.536 -2.532 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.634 -6.245 -1.827 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.844 -7.505 -1.970 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.506 -5.365 -3.850 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.305 -8.562 -4.118 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -2.675 -5.907 -6.090 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.468 -9.106 -6.363 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.036 -8.603 -7.976 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.448 -6.751 -3.305 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.455 -7.107 -4.298 1.00 0.22 C ATOM 1292 C ASP A 77 -10.502 -6.000 -4.467 1.00 0.22 C ATOM 1293 O ASP A 77 -11.135 -5.879 -5.519 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.129 -8.422 -3.892 1.00 0.31 C ATOM 1295 CG ASP A 77 -11.362 -8.738 -4.715 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -11.217 -9.023 -5.923 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.482 -8.685 -4.166 1.00 1.74 O ATOM 0 H ASP A 77 -8.475 -7.318 -2.458 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.957 -7.231 -5.260 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.413 -9.237 -3.994 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.406 -8.371 -2.839 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.653 -5.175 -3.445 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.674 -4.135 -3.437 1.00 0.21 C ATOM 1304 C LYS A 78 -11.053 -2.762 -3.693 1.00 0.20 C ATOM 1305 O LYS A 78 -11.373 -2.086 -4.672 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.389 -4.139 -2.083 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.044 -5.469 -1.745 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.444 -5.552 -0.278 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.420 -4.452 0.111 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.861 -4.581 1.525 1.00 1.92 N ATOM 0 H LYS A 78 -10.078 -5.204 -2.603 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.390 -4.339 -4.233 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.672 -3.888 -1.302 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.149 -3.358 -2.081 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.926 -5.608 -2.370 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.357 -6.282 -1.980 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -13.896 -6.524 -0.080 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.552 -5.482 0.345 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -13.950 -3.480 -0.036 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.289 -4.488 -0.546 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.525 -3.814 1.753 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.332 -5.498 1.659 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -14.034 -4.521 2.153 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.153 -2.372 -2.806 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.477 -1.091 -2.882 1.00 0.19 C ATOM 1326 C TYR A 79 -8.006 -1.294 -3.223 1.00 0.21 C ATOM 1327 O TYR A 79 -7.342 -2.143 -2.633 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.608 -0.342 -1.555 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.039 -0.062 -1.152 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.778 0.931 -1.784 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.650 -0.792 -0.142 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.086 1.189 -1.416 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -12.955 -0.540 0.231 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.670 0.460 -0.418 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.968 0.702 -0.032 1.00 0.88 O ATOM 0 H TYR A 79 -9.870 -2.941 -2.008 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.944 -0.497 -3.668 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.127 -0.925 -0.770 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.069 0.603 -1.627 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.324 1.510 -2.575 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -11.095 -1.570 0.361 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -13.645 1.966 -1.917 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -13.417 -1.115 1.020 1.00 0.65 H new ATOM 0 HH TYR A 79 -15.215 0.087 0.690 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.506 -0.529 -4.182 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.101 -0.608 -4.529 1.00 0.25 C ATOM 1347 C GLY A 80 -5.214 0.055 -3.497 1.00 0.20 C ATOM 1348 O GLY A 80 -5.487 -0.010 -2.296 1.00 0.22 O ATOM 0 H GLY A 80 -8.046 0.144 -4.726 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.813 -1.654 -4.633 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.942 -0.136 -5.498 1.00 0.25 H new ATOM 1352 N SER A 81 -4.169 0.719 -3.973 1.00 0.23 N ATOM 1353 CA SER A 81 -3.197 1.387 -3.112 1.00 0.25 C ATOM 1354 C SER A 81 -3.867 2.256 -2.049 1.00 0.23 C ATOM 1355 O SER A 81 -3.391 2.338 -0.938 1.00 0.25 O ATOM 1356 CB SER A 81 -2.261 2.238 -3.971 1.00 0.34 C ATOM 1357 OG SER A 81 -1.555 1.430 -4.899 1.00 0.41 O ATOM 0 H SER A 81 -3.969 0.811 -4.969 1.00 0.23 H new ATOM 0 HA SER A 81 -2.630 0.618 -2.587 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.837 2.994 -4.505 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.555 2.768 -3.332 1.00 0.34 H new ATOM 0 HG SER A 81 -1.603 1.837 -5.789 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.963 2.916 -2.393 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.667 3.751 -1.422 1.00 0.25 C ATOM 1365 C LEU A 82 -6.143 2.955 -0.226 1.00 0.22 C ATOM 1366 O LEU A 82 -5.704 3.202 0.895 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.852 4.469 -2.054 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.778 5.161 -1.053 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.989 6.047 -0.098 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.816 5.971 -1.790 1.00 0.69 C ATOM 0 H LEU A 82 -5.382 2.893 -3.323 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.944 4.492 -1.080 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.478 5.212 -2.758 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.433 3.749 -2.630 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.279 4.396 -0.460 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.673 6.526 0.602 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -6.272 5.439 0.454 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.457 6.810 -0.666 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.473 6.461 -1.071 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.322 6.725 -2.403 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.405 5.313 -2.429 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.042 2.011 -0.459 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.607 1.270 0.634 1.00 0.23 C ATOM 1384 C GLY A 83 -6.539 0.578 1.436 1.00 0.21 C ATOM 1385 O GLY A 83 -6.629 0.494 2.651 1.00 0.23 O ATOM 0 H GLY A 83 -7.385 1.750 -1.383 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.171 1.943 1.280 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.312 0.532 0.250 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.504 0.132 0.750 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.395 -0.550 1.395 1.00 0.20 C ATOM 1391 C LEU A 84 -3.495 0.428 2.150 1.00 0.21 C ATOM 1392 O LEU A 84 -3.070 0.138 3.258 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.597 -1.319 0.356 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.383 -2.399 -0.374 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.556 -3.005 -1.495 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.809 -3.464 0.614 1.00 0.30 C ATOM 0 H LEU A 84 -5.407 0.230 -0.261 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.801 -1.247 2.128 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.206 -0.614 -0.378 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.738 -1.780 0.844 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.270 -1.952 -0.823 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.139 -3.774 -2.002 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.284 -2.227 -2.208 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.651 -3.450 -1.080 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.372 -4.239 0.094 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.926 -3.906 1.076 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.436 -3.015 1.385 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.230 1.588 1.557 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.425 2.635 2.191 1.00 0.23 C ATOM 1410 C TYR A 85 -2.900 2.905 3.612 1.00 0.24 C ATOM 1411 O TYR A 85 -2.100 3.102 4.530 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.498 3.914 1.331 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.667 5.209 2.097 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -1.557 5.917 2.552 1.00 0.38 C ATOM 1415 CD2 TYR A 85 -3.928 5.715 2.376 1.00 0.28 C ATOM 1416 CE1 TYR A 85 -1.705 7.095 3.261 1.00 0.45 C ATOM 1417 CE2 TYR A 85 -4.084 6.891 3.084 1.00 0.37 C ATOM 1418 CZ TYR A 85 -2.980 7.598 3.483 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.127 8.747 4.232 1.00 0.52 O ATOM 0 H TYR A 85 -3.565 1.832 0.625 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.389 2.303 2.256 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.588 3.982 0.735 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.330 3.814 0.633 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -0.566 5.540 2.348 1.00 0.38 H new ATOM 0 HD2 TYR A 85 -4.802 5.181 2.034 1.00 0.28 H new ATOM 0 HE1 TYR A 85 -0.838 7.618 3.638 1.00 0.45 H new ATOM 0 HE2 TYR A 85 -5.073 7.252 3.322 1.00 0.37 H new ATOM 0 HH TYR A 85 -4.078 8.975 4.299 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.204 2.917 3.778 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.803 3.143 5.075 1.00 0.25 C ATOM 1431 C VAL A 86 -5.054 1.826 5.836 1.00 0.24 C ATOM 1432 O VAL A 86 -4.880 1.764 7.055 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.105 3.970 4.921 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.907 3.498 3.720 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.954 3.909 6.170 1.00 0.32 C ATOM 0 H VAL A 86 -4.875 2.772 3.024 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.097 3.715 5.677 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.812 5.008 4.762 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.816 4.093 3.633 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.310 3.613 2.816 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.172 2.448 3.849 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.858 4.500 6.025 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.227 2.874 6.374 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.390 4.309 7.013 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.428 0.771 5.121 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.775 -0.501 5.760 1.00 0.24 C ATOM 1447 C ALA A 87 -4.549 -1.271 6.224 1.00 0.22 C ATOM 1448 O ALA A 87 -4.543 -1.856 7.304 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.584 -1.371 4.818 1.00 0.25 C ATOM 0 H ALA A 87 -5.500 0.767 4.104 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.370 -0.253 6.639 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.831 -2.311 5.312 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.503 -0.853 4.543 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.001 -1.576 3.920 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.513 -1.265 5.410 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.329 -2.051 5.686 1.00 0.21 C ATOM 1457 C GLU A 88 -1.519 -1.395 6.799 1.00 0.20 C ATOM 1458 O GLU A 88 -0.777 -2.058 7.523 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.512 -2.230 4.388 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.363 -1.254 4.194 1.00 0.25 C ATOM 1461 CD GLU A 88 0.938 -1.801 4.739 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.497 -2.749 4.152 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.423 -1.269 5.751 1.00 1.24 O ATOM 0 H GLU A 88 -3.468 -0.722 4.548 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.610 -3.045 6.035 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.111 -3.243 4.369 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.189 -2.139 3.539 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.248 -1.034 3.133 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.598 -0.313 4.691 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.709 -0.094 6.954 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.977 0.679 7.941 1.00 0.24 C ATOM 1472 C GLN A 89 -1.767 0.842 9.241 1.00 0.29 C ATOM 1473 O GLN A 89 -1.186 0.821 10.327 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.617 2.041 7.353 1.00 0.25 C ATOM 1475 CG GLN A 89 0.471 1.968 6.297 1.00 0.27 C ATOM 1476 CD GLN A 89 1.862 1.791 6.885 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.154 2.274 7.981 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.727 1.084 6.174 1.00 0.38 N ATOM 0 H GLN A 89 -2.371 0.452 6.402 1.00 0.22 H new ATOM 0 HA GLN A 89 -0.065 0.137 8.191 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.510 2.488 6.915 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.291 2.702 8.156 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.260 1.138 5.623 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.449 2.878 5.698 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.451 0.699 5.271 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.670 0.924 6.530 1.00 0.38 H new ATOM 1487 N PHE A 90 -3.087 1.001 9.142 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.910 1.194 10.339 1.00 0.34 C ATOM 1489 C PHE A 90 -5.083 0.219 10.397 1.00 0.37 C ATOM 1490 O PHE A 90 -5.383 -0.334 11.455 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.451 2.623 10.399 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.401 3.672 10.630 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.970 3.969 11.913 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.848 4.363 9.564 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -2.007 4.937 12.129 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.885 5.332 9.774 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.463 5.619 11.058 1.00 0.62 C ATOM 0 H PHE A 90 -3.603 1.000 8.262 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.262 1.004 11.194 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.968 2.843 9.465 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -5.192 2.685 11.196 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -3.391 3.438 12.754 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.173 4.142 8.558 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.680 5.160 13.134 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.463 5.865 8.935 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.710 6.375 11.224 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.744 0.000 9.272 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.873 -0.903 9.261 1.00 0.41 C ATOM 1509 C GLY A 91 -8.072 -0.330 8.543 1.00 0.43 C ATOM 1510 O GLY A 91 -8.605 0.711 8.931 1.00 0.51 O ATOM 0 H GLY A 91 -5.521 0.428 8.373 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.581 -1.838 8.782 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -7.150 -1.144 10.287 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.502 -1.027 7.506 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.635 -0.614 6.689 1.00 0.47 C ATOM 1516 C GLU A 92 -10.883 -0.468 7.542 1.00 0.54 C ATOM 1517 O GLU A 92 -11.674 0.461 7.361 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.829 -1.649 5.571 1.00 0.50 C ATOM 1519 CG GLU A 92 -11.047 -1.447 4.681 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.266 -2.206 5.168 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.299 -3.446 5.018 1.00 2.23 O ATOM 1522 OE2 GLU A 92 -13.197 -1.570 5.697 1.00 2.69 O ATOM 0 H GLU A 92 -8.074 -1.902 7.203 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.442 0.361 6.242 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.939 -1.646 4.942 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.895 -2.638 6.025 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.283 -0.384 4.632 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.807 -1.767 3.667 1.00 0.92 H new ATOM 1529 N GLU A 93 -11.011 -1.363 8.500 1.00 0.57 N ATOM 1530 CA GLU A 93 -12.156 -1.397 9.384 1.00 0.66 C ATOM 1531 C GLU A 93 -12.398 -0.059 10.092 1.00 0.68 C ATOM 1532 O GLU A 93 -13.534 0.398 10.187 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.964 -2.507 10.420 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.660 -2.384 11.196 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.473 -3.482 12.217 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.971 -4.561 11.846 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.836 -3.276 13.391 1.00 1.33 O ATOM 0 H GLU A 93 -10.320 -2.090 8.687 1.00 0.57 H new ATOM 0 HA GLU A 93 -13.036 -1.595 8.772 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.799 -2.490 11.120 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.990 -3.473 9.917 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.825 -2.401 10.496 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.634 -1.418 11.701 1.00 0.68 H new ATOM 1544 N ASN A 94 -11.337 0.574 10.583 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.508 1.725 11.463 1.00 0.64 C ATOM 1546 C ASN A 94 -11.290 3.064 10.756 1.00 0.65 C ATOM 1547 O ASN A 94 -12.149 3.942 10.808 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.613 1.598 12.712 1.00 0.63 C ATOM 1549 CG ASN A 94 -9.121 1.648 12.416 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.513 2.713 12.422 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.512 0.496 12.173 1.00 0.70 N ATOM 0 H ASN A 94 -10.369 0.317 10.392 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.551 1.720 11.780 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.862 2.400 13.407 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.841 0.658 13.215 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.510 0.479 11.984 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -9.046 -0.373 12.175 1.00 0.70 H new ATOM 1558 N VAL A 95 -10.161 3.229 10.097 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.811 4.523 9.521 1.00 0.58 C ATOM 1560 C VAL A 95 -10.312 4.673 8.091 1.00 0.62 C ATOM 1561 O VAL A 95 -10.758 5.750 7.699 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.293 4.766 9.563 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.886 5.374 10.895 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.555 3.466 9.327 1.00 0.49 C ATOM 0 H VAL A 95 -9.471 2.493 9.945 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.308 5.273 10.136 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.029 5.469 8.773 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.809 5.539 10.906 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.400 6.325 11.033 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -8.157 4.695 11.703 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.481 3.647 9.358 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.825 2.748 10.102 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.827 3.065 8.351 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.262 3.596 7.321 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.701 3.640 5.925 1.00 0.68 C ATOM 1576 C ASN A 96 -12.188 3.920 5.857 1.00 0.85 C ATOM 1577 O ASN A 96 -12.680 4.520 4.903 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.412 2.318 5.222 1.00 0.69 C ATOM 1579 CG ASN A 96 -10.854 2.311 3.769 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -10.012 2.818 2.883 1.00 1.85 O flip ATOM 1581 ND2 ASN A 96 -11.947 1.856 3.447 1.00 0.66 N flip ATOM 0 H ASN A 96 -9.925 2.685 7.632 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.150 4.436 5.424 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.343 2.112 5.272 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -10.917 1.512 5.754 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -12.570 1.473 4.158 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -12.233 1.860 2.468 1.00 0.66 H new ATOM 1588 N THR A 97 -12.898 3.486 6.884 1.00 0.85 N ATOM 1589 CA THR A 97 -14.327 3.673 6.934 1.00 1.05 C ATOM 1590 C THR A 97 -14.656 5.149 7.211 1.00 1.15 C ATOM 1591 O THR A 97 -15.778 5.609 6.986 1.00 1.33 O ATOM 1592 CB THR A 97 -14.966 2.761 8.011 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.345 2.519 7.702 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.865 3.378 9.398 1.00 1.08 C ATOM 0 H THR A 97 -12.503 3.003 7.691 1.00 0.85 H new ATOM 0 HA THR A 97 -14.746 3.395 5.967 1.00 1.05 H new ATOM 0 HB THR A 97 -14.416 1.820 8.010 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.737 1.940 8.389 1.00 1.33 H new ATOM 0 HG21 THR A 97 -15.324 2.710 10.127 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.816 3.529 9.653 1.00 1.08 H new ATOM 0 HG23 THR A 97 -15.383 4.337 9.408 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.652 5.887 7.685 1.00 1.07 N ATOM 1603 CA TYR A 98 -13.820 7.293 8.029 1.00 1.22 C ATOM 1604 C TYR A 98 -13.268 8.189 6.926 1.00 1.24 C ATOM 1605 O TYR A 98 -13.910 9.158 6.517 1.00 1.41 O ATOM 1606 CB TYR A 98 -13.110 7.594 9.353 1.00 1.27 C ATOM 1607 CG TYR A 98 -13.284 9.017 9.834 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -14.440 9.407 10.495 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -12.293 9.969 9.628 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -14.606 10.704 10.936 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -12.451 11.269 10.067 1.00 2.45 C ATOM 1612 CZ TYR A 98 -13.609 11.631 10.721 1.00 2.47 C ATOM 1613 OH TYR A 98 -13.775 12.926 11.157 1.00 2.92 O ATOM 0 H TYR A 98 -12.710 5.529 7.839 1.00 1.07 H new ATOM 0 HA TYR A 98 -14.885 7.498 8.137 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -13.486 6.914 10.118 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -12.046 7.388 9.238 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -15.223 8.683 10.667 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -11.384 9.688 9.116 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -15.513 10.991 11.447 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -11.672 11.998 9.899 1.00 2.45 H new ATOM 0 HH TYR A 98 -12.981 13.452 10.928 1.00 2.92 H new ATOM 1623 N PHE A 99 -12.073 7.864 6.451 1.00 1.23 N ATOM 1624 CA PHE A 99 -11.430 8.641 5.402 1.00 1.37 C ATOM 1625 C PHE A 99 -11.965 8.244 4.035 1.00 1.73 C ATOM 1626 O PHE A 99 -12.921 7.474 3.928 1.00 2.11 O ATOM 1627 CB PHE A 99 -9.914 8.444 5.434 1.00 1.72 C ATOM 1628 CG PHE A 99 -9.267 8.901 6.711 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -9.290 10.238 7.073 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -8.631 7.997 7.546 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -8.694 10.664 8.243 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -8.032 8.417 8.717 1.00 4.51 C ATOM 1633 CZ PHE A 99 -8.064 9.752 9.066 1.00 5.17 C ATOM 0 H PHE A 99 -11.529 7.065 6.777 1.00 1.23 H new ATOM 0 HA PHE A 99 -11.655 9.692 5.581 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -9.692 7.388 5.283 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -9.469 8.986 4.599 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -9.780 10.956 6.432 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -8.603 6.951 7.278 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -8.721 11.709 8.514 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -7.539 7.702 9.359 1.00 4.51 H new ATOM 0 HZ PHE A 99 -7.597 10.083 9.982 1.00 5.17 H new ATOM 1643 N VAL A 100 -11.362 8.792 2.998 1.00 1.96 N ATOM 1644 CA VAL A 100 -11.739 8.483 1.641 1.00 2.64 C ATOM 1645 C VAL A 100 -10.541 7.926 0.858 1.00 3.27 C ATOM 1646 O VAL A 100 -9.730 8.718 0.319 1.00 3.70 O ATOM 1647 CB VAL A 100 -12.341 9.735 0.969 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -11.393 10.919 1.059 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -12.746 9.454 -0.469 1.00 3.58 C ATOM 1650 OXT VAL A 100 -10.409 6.685 0.814 1.00 3.84 O ATOM 0 H VAL A 100 -10.598 9.463 3.077 1.00 1.96 H new ATOM 0 HA VAL A 100 -12.503 7.706 1.646 1.00 2.64 H new ATOM 0 HB VAL A 100 -13.247 9.998 1.516 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -11.846 11.785 0.577 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -11.196 11.149 2.106 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -10.456 10.674 0.559 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -13.166 10.357 -0.912 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -11.871 9.143 -1.039 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -13.492 8.660 -0.488 1.00 3.58 H new TER 1660 VAL A 100