USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= -0.564 X(o=-5,f=-5.3) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.49! C(o=-5!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0284 (180deg=-0.121) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0212 (180deg=-0.191) USER MOD Single : A 9 GLN : amide:sc= 0.802 K(o=0.8,f=-0.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.249 F(o=-2.4!,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 1.14 (180deg=-0.338!) USER MOD Single : A 36 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.27) USER MOD Single : A 39 HIS : no HE2:sc= 0.435 K(o=0.44,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0437) USER MOD Single : A 43 SER OG : rot -93:sc= 0.197 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 50 ASN : amide:sc= 1.16 K(o=1.2,f=-0.042) USER MOD Single : A 53 TYR OH : rot 88:sc= 1.32 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= 0.63 (180deg=0.301) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00871 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= -1.3 (180deg=-1.4) USER MOD Single : A 63 TYR OH : rot 55:sc= 0.194 USER MOD Single : A 68 TYR OH : rot 176:sc= 0.36 USER MOD Single : A 70 SER OG : rot -30:sc= -0.0976 USER MOD Single : A 73 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-8.4!) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.06) USER MOD Single : A 80 ASN : amide:sc= 1.21 K(o=1.2,f=-0.013) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.1) USER MOD Single : A 89 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.84) USER MOD Single : A 91 THR OG1 : rot 74:sc= 0.933 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.855 F(o=-5.2!,f=-0.85) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 102 LYS NZ :NH3+ 168:sc= -0.0126 (180deg=-0.154) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -163:sc= -0.136 (180deg=-0.548) USER MOD Single : A 105 THR OG1 : rot -3:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.775 -23.010 14.184 1.00 0.00 N ATOM 2 CA GLY A 1 -21.823 -21.956 14.530 1.00 0.00 C ATOM 3 C GLY A 1 -21.404 -21.134 13.336 1.00 0.00 C ATOM 4 O GLY A 1 -21.001 -19.989 13.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.132 -23.454 15.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.570 -22.599 13.654 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.301 -23.727 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.269 -21.301 15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.940 -22.405 14.985 1.00 0.00 H new ATOM 10 N ASP A 2 -21.495 -21.702 12.145 1.00 0.00 N ATOM 11 CA ASP A 2 -21.101 -20.974 10.949 1.00 0.00 C ATOM 12 C ASP A 2 -22.256 -20.218 10.395 1.00 0.00 C ATOM 13 O ASP A 2 -23.363 -20.751 10.302 1.00 0.00 O ATOM 14 CB ASP A 2 -20.574 -21.905 9.852 1.00 0.00 C ATOM 15 CG ASP A 2 -19.281 -22.582 10.195 1.00 0.00 C ATOM 16 OD1 ASP A 2 -19.305 -23.670 10.804 1.00 0.00 O ATOM 17 OD2 ASP A 2 -18.213 -22.049 9.866 1.00 0.00 O ATOM 0 H ASP A 2 -21.833 -22.650 11.980 1.00 0.00 H new ATOM 0 HA ASP A 2 -20.304 -20.294 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -21.326 -22.666 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.439 -21.330 8.936 1.00 0.00 H new ATOM 22 N VAL A 3 -22.019 -18.998 10.031 1.00 0.00 N ATOM 23 CA VAL A 3 -23.019 -18.203 9.375 1.00 0.00 C ATOM 24 C VAL A 3 -22.776 -18.314 7.865 1.00 0.00 C ATOM 25 O VAL A 3 -21.751 -17.863 7.342 1.00 0.00 O ATOM 26 CB VAL A 3 -23.056 -16.713 9.899 1.00 0.00 C ATOM 27 CG1 VAL A 3 -21.734 -15.974 9.739 1.00 0.00 C ATOM 28 CG2 VAL A 3 -24.193 -15.934 9.268 1.00 0.00 C ATOM 0 H VAL A 3 -21.129 -18.521 10.178 1.00 0.00 H new ATOM 0 HA VAL A 3 -24.014 -18.582 9.610 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.234 -16.783 10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -21.837 -14.958 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -20.956 -16.495 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -21.462 -15.940 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -24.190 -14.913 9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.066 -15.917 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.142 -16.411 9.514 1.00 0.00 H new ATOM 38 N LEU A 4 -23.666 -19.008 7.193 1.00 0.00 N ATOM 39 CA LEU A 4 -23.475 -19.319 5.787 1.00 0.00 C ATOM 40 C LEU A 4 -24.286 -18.424 4.863 1.00 0.00 C ATOM 41 O LEU A 4 -23.825 -18.082 3.769 1.00 0.00 O ATOM 42 CB LEU A 4 -23.802 -20.792 5.519 1.00 0.00 C ATOM 43 CG LEU A 4 -22.947 -21.827 6.267 1.00 0.00 C ATOM 44 CD1 LEU A 4 -23.436 -23.234 5.969 1.00 0.00 C ATOM 45 CD2 LEU A 4 -21.474 -21.691 5.890 1.00 0.00 C ATOM 0 H LEU A 4 -24.531 -19.370 7.594 1.00 0.00 H new ATOM 0 HA LEU A 4 -22.425 -19.129 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.848 -20.962 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -23.703 -20.975 4.449 1.00 0.00 H new ATOM 0 HG LEU A 4 -23.047 -21.639 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -22.820 -23.955 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -24.473 -23.334 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -23.366 -23.424 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.890 -22.434 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.357 -21.849 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.123 -20.693 6.150 1.00 0.00 H new ATOM 57 N LYS A 5 -25.488 -18.057 5.277 1.00 0.00 N ATOM 58 CA LYS A 5 -26.354 -17.232 4.452 1.00 0.00 C ATOM 59 C LYS A 5 -25.835 -15.808 4.428 1.00 0.00 C ATOM 60 O LYS A 5 -25.721 -15.173 3.359 1.00 0.00 O ATOM 61 CB LYS A 5 -27.743 -17.286 5.030 1.00 0.00 C ATOM 62 CG LYS A 5 -28.264 -18.700 5.123 1.00 0.00 C ATOM 63 CD LYS A 5 -29.357 -18.793 6.133 1.00 0.00 C ATOM 64 CE LYS A 5 -29.886 -20.214 6.269 1.00 0.00 C ATOM 65 NZ LYS A 5 -28.853 -21.142 6.778 1.00 0.00 N ATOM 0 H LYS A 5 -25.886 -18.318 6.179 1.00 0.00 H new ATOM 0 HA LYS A 5 -26.371 -17.600 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -27.740 -16.835 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -28.416 -16.692 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -28.633 -19.022 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -27.452 -19.375 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -28.988 -18.449 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -30.172 -18.128 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -30.742 -20.219 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -30.241 -20.563 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -29.300 -22.036 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -28.154 -21.328 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -28.377 -20.715 7.598 1.00 0.00 H new ATOM 79 N ASP A 6 -25.513 -15.305 5.589 1.00 0.00 N ATOM 80 CA ASP A 6 -24.930 -13.993 5.701 1.00 0.00 C ATOM 81 C ASP A 6 -23.444 -14.153 5.626 1.00 0.00 C ATOM 82 O ASP A 6 -22.802 -14.538 6.588 1.00 0.00 O ATOM 83 CB ASP A 6 -25.333 -13.291 7.007 1.00 0.00 C ATOM 84 CG ASP A 6 -24.730 -11.897 7.137 1.00 0.00 C ATOM 85 OD1 ASP A 6 -25.294 -10.932 6.557 1.00 0.00 O ATOM 86 OD2 ASP A 6 -23.716 -11.727 7.820 1.00 0.00 O ATOM 0 H ASP A 6 -25.645 -15.787 6.478 1.00 0.00 H new ATOM 0 HA ASP A 6 -25.296 -13.363 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -26.420 -13.218 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -25.017 -13.900 7.854 1.00 0.00 H new ATOM 91 N ARG A 7 -22.914 -13.957 4.458 1.00 0.00 N ATOM 92 CA ARG A 7 -21.505 -14.123 4.254 1.00 0.00 C ATOM 93 C ARG A 7 -20.783 -12.863 4.631 1.00 0.00 C ATOM 94 O ARG A 7 -21.162 -11.767 4.177 1.00 0.00 O ATOM 95 CB ARG A 7 -21.196 -14.506 2.811 1.00 0.00 C ATOM 96 CG ARG A 7 -21.772 -15.841 2.403 1.00 0.00 C ATOM 97 CD ARG A 7 -21.470 -16.162 0.952 1.00 0.00 C ATOM 98 NE ARG A 7 -20.030 -16.149 0.660 1.00 0.00 N ATOM 99 CZ ARG A 7 -19.402 -16.971 -0.185 1.00 0.00 C ATOM 100 NH1 ARG A 7 -20.070 -17.937 -0.797 1.00 0.00 N ATOM 101 NH2 ARG A 7 -18.107 -16.814 -0.410 1.00 0.00 N ATOM 0 H ARG A 7 -23.437 -13.681 3.627 1.00 0.00 H new ATOM 0 HA ARG A 7 -21.160 -14.936 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.585 -13.734 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -20.115 -14.529 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -21.363 -16.624 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -22.851 -15.834 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -21.878 -17.143 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.974 -15.439 0.311 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.462 -15.453 1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.068 -18.056 -0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.586 -18.562 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.594 -16.068 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.622 -17.439 -1.054 1.00 0.00 H new ATOM 115 N PRO A 8 -19.789 -12.975 5.508 1.00 0.00 N ATOM 116 CA PRO A 8 -18.988 -11.846 5.905 1.00 0.00 C ATOM 117 C PRO A 8 -18.010 -11.464 4.803 1.00 0.00 C ATOM 118 O PRO A 8 -17.566 -12.317 4.024 1.00 0.00 O ATOM 119 CB PRO A 8 -18.241 -12.342 7.151 1.00 0.00 C ATOM 120 CG PRO A 8 -18.169 -13.822 6.994 1.00 0.00 C ATOM 121 CD PRO A 8 -19.380 -14.224 6.197 1.00 0.00 C ATOM 0 HA PRO A 8 -19.584 -10.955 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.245 -11.903 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.770 -12.067 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.252 -14.114 6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.162 -14.316 7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.144 -15.014 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.174 -14.603 6.841 1.00 0.00 H new ATOM 129 N GLN A 9 -17.702 -10.212 4.703 1.00 0.00 N ATOM 130 CA GLN A 9 -16.768 -9.769 3.715 1.00 0.00 C ATOM 131 C GLN A 9 -15.458 -9.430 4.419 1.00 0.00 C ATOM 132 O GLN A 9 -15.447 -9.180 5.636 1.00 0.00 O ATOM 133 CB GLN A 9 -17.317 -8.541 2.984 1.00 0.00 C ATOM 134 CG GLN A 9 -16.675 -8.259 1.624 1.00 0.00 C ATOM 135 CD GLN A 9 -16.980 -9.354 0.605 1.00 0.00 C ATOM 136 OE1 GLN A 9 -18.002 -9.305 -0.078 1.00 0.00 O ATOM 137 NE2 GLN A 9 -16.106 -10.318 0.448 1.00 0.00 N ATOM 0 H GLN A 9 -18.084 -9.474 5.295 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.600 -10.552 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.390 -8.670 2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.182 -7.667 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.035 -7.302 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -15.596 -8.168 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.264 -10.342 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.268 -11.044 -0.250 1.00 0.00 H new ATOM 146 N GLU A 10 -14.372 -9.452 3.673 1.00 0.00 N ATOM 147 CA GLU A 10 -13.045 -9.148 4.193 1.00 0.00 C ATOM 148 C GLU A 10 -12.906 -7.646 4.407 1.00 0.00 C ATOM 149 O GLU A 10 -12.071 -7.183 5.191 1.00 0.00 O ATOM 150 CB GLU A 10 -11.967 -9.600 3.187 1.00 0.00 C ATOM 151 CG GLU A 10 -11.887 -11.101 2.897 1.00 0.00 C ATOM 152 CD GLU A 10 -13.114 -11.639 2.205 1.00 0.00 C ATOM 153 OE1 GLU A 10 -13.669 -10.945 1.316 1.00 0.00 O ATOM 154 OE2 GLU A 10 -13.581 -12.723 2.557 1.00 0.00 O ATOM 0 H GLU A 10 -14.381 -9.683 2.680 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.914 -9.675 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.140 -9.080 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.996 -9.272 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.012 -11.299 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.741 -11.638 3.834 1.00 0.00 H new ATOM 161 N ALA A 11 -13.738 -6.903 3.710 1.00 0.00 N ATOM 162 CA ALA A 11 -13.715 -5.471 3.764 1.00 0.00 C ATOM 163 C ALA A 11 -14.670 -4.979 4.826 1.00 0.00 C ATOM 164 O ALA A 11 -15.799 -5.482 4.942 1.00 0.00 O ATOM 165 CB ALA A 11 -14.070 -4.878 2.407 1.00 0.00 C ATOM 0 H ALA A 11 -14.451 -7.285 3.088 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.707 -5.146 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.047 -3.790 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.348 -5.215 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.069 -5.204 2.117 1.00 0.00 H new ATOM 171 N ASP A 12 -14.200 -4.043 5.611 1.00 0.00 N ATOM 172 CA ASP A 12 -14.962 -3.411 6.666 1.00 0.00 C ATOM 173 C ASP A 12 -14.231 -2.162 7.086 1.00 0.00 C ATOM 174 O ASP A 12 -13.003 -2.174 7.169 1.00 0.00 O ATOM 175 CB ASP A 12 -15.122 -4.340 7.888 1.00 0.00 C ATOM 176 CG ASP A 12 -15.819 -3.657 9.053 1.00 0.00 C ATOM 177 OD1 ASP A 12 -17.065 -3.626 9.086 1.00 0.00 O ATOM 178 OD2 ASP A 12 -15.133 -3.122 9.955 1.00 0.00 O ATOM 0 H ASP A 12 -13.247 -3.687 5.534 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.959 -3.180 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.690 -5.223 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.139 -4.685 8.209 1.00 0.00 H new ATOM 183 N GLY A 13 -14.962 -1.093 7.293 1.00 0.00 N ATOM 184 CA GLY A 13 -14.375 0.137 7.768 1.00 0.00 C ATOM 185 C GLY A 13 -13.475 0.797 6.758 1.00 0.00 C ATOM 186 O GLY A 13 -13.936 1.258 5.713 1.00 0.00 O ATOM 0 H GLY A 13 -15.969 -1.050 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.171 0.829 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.804 -0.067 8.674 1.00 0.00 H new ATOM 190 N ILE A 14 -12.202 0.851 7.059 1.00 0.00 N ATOM 191 CA ILE A 14 -11.252 1.477 6.177 1.00 0.00 C ATOM 192 C ILE A 14 -10.658 0.460 5.188 1.00 0.00 C ATOM 193 O ILE A 14 -9.704 -0.281 5.479 1.00 0.00 O ATOM 194 CB ILE A 14 -10.163 2.307 6.942 1.00 0.00 C ATOM 195 CG1 ILE A 14 -9.153 2.947 5.978 1.00 0.00 C ATOM 196 CG2 ILE A 14 -9.465 1.492 8.021 1.00 0.00 C ATOM 197 CD1 ILE A 14 -9.767 3.950 5.020 1.00 0.00 C ATOM 0 H ILE A 14 -11.799 0.466 7.913 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.797 2.212 5.584 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.690 3.116 7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.376 3.443 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.667 2.160 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.721 2.112 8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.199 1.148 8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.974 0.631 7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.990 4.357 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.524 3.455 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.228 4.759 5.587 1.00 0.00 H new ATOM 209 N ASP A 15 -11.263 0.424 4.032 1.00 0.00 N ATOM 210 CA ASP A 15 -10.914 -0.507 2.965 1.00 0.00 C ATOM 211 C ASP A 15 -10.220 0.223 1.823 1.00 0.00 C ATOM 212 O ASP A 15 -10.155 -0.264 0.721 1.00 0.00 O ATOM 213 CB ASP A 15 -12.195 -1.192 2.430 1.00 0.00 C ATOM 214 CG ASP A 15 -13.147 -0.230 1.719 1.00 0.00 C ATOM 215 OD1 ASP A 15 -13.888 0.515 2.389 1.00 0.00 O ATOM 216 OD2 ASP A 15 -13.192 -0.219 0.484 1.00 0.00 O ATOM 0 H ASP A 15 -12.031 1.050 3.789 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.235 -1.258 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.912 -1.987 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.720 -1.663 3.261 1.00 0.00 H new ATOM 221 N SER A 16 -9.665 1.364 2.109 1.00 0.00 N ATOM 222 CA SER A 16 -9.021 2.173 1.084 1.00 0.00 C ATOM 223 C SER A 16 -7.498 2.214 1.276 1.00 0.00 C ATOM 224 O SER A 16 -6.801 3.039 0.676 1.00 0.00 O ATOM 225 CB SER A 16 -9.605 3.579 1.107 1.00 0.00 C ATOM 226 OG SER A 16 -11.029 3.533 0.987 1.00 0.00 O ATOM 0 H SER A 16 -9.639 1.768 3.045 1.00 0.00 H new ATOM 0 HA SER A 16 -9.212 1.719 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.329 4.079 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.184 4.167 0.291 1.00 0.00 H new ATOM 0 HG SER A 16 -11.388 4.445 1.005 1.00 0.00 H new ATOM 232 N VAL A 17 -6.990 1.295 2.056 1.00 0.00 N ATOM 233 CA VAL A 17 -5.576 1.231 2.335 1.00 0.00 C ATOM 234 C VAL A 17 -5.080 -0.195 2.130 1.00 0.00 C ATOM 235 O VAL A 17 -5.730 -1.155 2.560 1.00 0.00 O ATOM 236 CB VAL A 17 -5.245 1.758 3.775 1.00 0.00 C ATOM 237 CG1 VAL A 17 -6.006 0.990 4.842 1.00 0.00 C ATOM 238 CG2 VAL A 17 -3.743 1.727 4.058 1.00 0.00 C ATOM 0 H VAL A 17 -7.542 0.571 2.515 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.053 1.886 1.639 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.571 2.797 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.750 1.384 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.077 1.099 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.737 -0.065 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.555 2.100 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.378 0.703 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.224 2.356 3.335 1.00 0.00 H new ATOM 248 N ILE A 18 -3.990 -0.331 1.419 1.00 0.00 N ATOM 249 CA ILE A 18 -3.403 -1.620 1.170 1.00 0.00 C ATOM 250 C ILE A 18 -2.297 -1.825 2.159 1.00 0.00 C ATOM 251 O ILE A 18 -1.491 -0.916 2.407 1.00 0.00 O ATOM 252 CB ILE A 18 -2.736 -1.741 -0.228 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.560 -1.085 -1.326 1.00 0.00 C ATOM 254 CG2 ILE A 18 -2.478 -3.216 -0.574 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.898 -1.729 -1.583 1.00 0.00 C ATOM 0 H ILE A 18 -3.486 0.449 0.997 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.213 -2.346 1.241 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.787 -1.208 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.720 -0.039 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.983 -1.098 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.010 -3.283 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.817 -3.655 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.424 -3.758 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.412 -1.193 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.751 -2.768 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.500 -1.692 -0.675 1.00 0.00 H new ATOM 267 N VAL A 19 -2.276 -2.970 2.704 1.00 0.00 N ATOM 268 CA VAL A 19 -1.230 -3.423 3.572 1.00 0.00 C ATOM 269 C VAL A 19 -0.541 -4.516 2.813 1.00 0.00 C ATOM 270 O VAL A 19 -1.178 -5.515 2.466 1.00 0.00 O ATOM 271 CB VAL A 19 -1.792 -4.013 4.875 1.00 0.00 C ATOM 272 CG1 VAL A 19 -0.683 -4.408 5.836 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.781 -3.068 5.522 1.00 0.00 C ATOM 0 H VAL A 19 -3.012 -3.662 2.563 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.572 -2.598 3.846 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.330 -4.925 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.120 -4.821 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.045 -5.157 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.088 -3.530 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.161 -3.513 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.286 -2.125 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.610 -2.884 4.838 1.00 0.00 H new ATOM 283 N VAL A 20 0.705 -4.315 2.498 1.00 0.00 N ATOM 284 CA VAL A 20 1.423 -5.268 1.681 1.00 0.00 C ATOM 285 C VAL A 20 2.512 -5.926 2.485 1.00 0.00 C ATOM 286 O VAL A 20 3.378 -5.248 3.018 1.00 0.00 O ATOM 287 CB VAL A 20 2.065 -4.598 0.457 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.538 -5.627 -0.526 1.00 0.00 C ATOM 289 CG2 VAL A 20 1.137 -3.593 -0.177 1.00 0.00 C ATOM 0 H VAL A 20 1.250 -3.504 2.790 1.00 0.00 H new ATOM 0 HA VAL A 20 0.698 -6.008 1.341 1.00 0.00 H new ATOM 0 HB VAL A 20 2.939 -4.043 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.989 -5.130 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.277 -6.272 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.692 -6.229 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.626 -3.140 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.224 -4.093 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.890 -2.818 0.548 1.00 0.00 H new ATOM 299 N ASP A 21 2.463 -7.224 2.551 1.00 0.00 N ATOM 300 CA ASP A 21 3.427 -8.017 3.301 1.00 0.00 C ATOM 301 C ASP A 21 4.595 -8.446 2.417 1.00 0.00 C ATOM 302 O ASP A 21 4.391 -8.870 1.291 1.00 0.00 O ATOM 303 CB ASP A 21 2.735 -9.250 3.855 1.00 0.00 C ATOM 304 CG ASP A 21 3.638 -10.144 4.669 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.894 -9.839 5.838 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.072 -11.181 4.169 1.00 0.00 O ATOM 0 H ASP A 21 1.748 -7.781 2.084 1.00 0.00 H new ATOM 0 HA ASP A 21 3.820 -7.406 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.896 -8.936 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.321 -9.825 3.027 1.00 0.00 H new ATOM 311 N ASN A 22 5.793 -8.325 2.967 1.00 0.00 N ATOM 312 CA ASN A 22 7.116 -8.677 2.375 1.00 0.00 C ATOM 313 C ASN A 22 7.330 -8.311 0.909 1.00 0.00 C ATOM 314 O ASN A 22 7.071 -9.080 -0.030 1.00 0.00 O ATOM 315 CB ASN A 22 7.725 -10.056 2.819 1.00 0.00 C ATOM 316 CG ASN A 22 7.109 -11.336 2.248 1.00 0.00 C ATOM 317 OD1 ASN A 22 5.896 -11.302 1.839 1.00 0.00 O flip ATOM 318 ND2 ASN A 22 7.778 -12.367 2.171 1.00 0.00 N flip ATOM 0 H ASN A 22 5.896 -7.952 3.911 1.00 0.00 H new ATOM 0 HA ASN A 22 7.760 -7.957 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.784 -10.051 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.663 -10.113 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.743 -12.375 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.367 -13.213 1.776 1.00 0.00 H new ATOM 325 N VAL A 23 7.820 -7.107 0.753 1.00 0.00 N ATOM 326 CA VAL A 23 8.094 -6.480 -0.499 1.00 0.00 C ATOM 327 C VAL A 23 9.596 -6.617 -0.818 1.00 0.00 C ATOM 328 O VAL A 23 10.338 -7.116 0.025 1.00 0.00 O ATOM 329 CB VAL A 23 7.673 -4.971 -0.415 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.168 -4.850 -0.308 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.324 -4.293 0.789 1.00 0.00 C ATOM 0 H VAL A 23 8.049 -6.510 1.548 1.00 0.00 H new ATOM 0 HA VAL A 23 7.527 -6.958 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 23 8.012 -4.476 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.891 -3.797 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.703 -5.300 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.824 -5.365 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.018 -3.248 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.011 -4.797 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.409 -4.350 0.697 1.00 0.00 H new ATOM 341 N PRO A 24 10.050 -6.203 -2.047 1.00 0.00 N ATOM 342 CA PRO A 24 11.467 -6.243 -2.450 1.00 0.00 C ATOM 343 C PRO A 24 12.446 -5.809 -1.352 1.00 0.00 C ATOM 344 O PRO A 24 12.307 -4.710 -0.739 1.00 0.00 O ATOM 345 CB PRO A 24 11.507 -5.259 -3.610 1.00 0.00 C ATOM 346 CG PRO A 24 10.175 -5.394 -4.264 1.00 0.00 C ATOM 347 CD PRO A 24 9.200 -5.813 -3.187 1.00 0.00 C ATOM 0 HA PRO A 24 11.782 -7.258 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.675 -4.240 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.315 -5.496 -4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.869 -4.451 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.210 -6.134 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.529 -4.996 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.576 -6.643 -3.518 1.00 0.00 H new ATOM 355 N GLN A 25 13.418 -6.681 -1.121 1.00 0.00 N ATOM 356 CA GLN A 25 14.442 -6.529 -0.095 1.00 0.00 C ATOM 357 C GLN A 25 15.473 -5.483 -0.526 1.00 0.00 C ATOM 358 O GLN A 25 15.353 -4.908 -1.602 1.00 0.00 O ATOM 359 CB GLN A 25 15.141 -7.889 0.158 1.00 0.00 C ATOM 360 CG GLN A 25 16.192 -8.325 -0.897 1.00 0.00 C ATOM 361 CD GLN A 25 15.643 -8.560 -2.300 1.00 0.00 C ATOM 362 OE1 GLN A 25 15.234 -9.658 -2.629 1.00 0.00 O ATOM 363 NE2 GLN A 25 15.654 -7.546 -3.140 1.00 0.00 N ATOM 0 H GLN A 25 13.519 -7.541 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 25 13.968 -6.194 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.629 -7.847 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.375 -8.662 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.968 -7.561 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.670 -9.242 -0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.003 -6.637 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.314 -7.670 -4.094 1.00 0.00 H new ATOM 372 N VAL A 26 16.488 -5.249 0.273 1.00 0.00 N ATOM 373 CA VAL A 26 17.465 -4.271 -0.115 1.00 0.00 C ATOM 374 C VAL A 26 18.832 -4.876 -0.439 1.00 0.00 C ATOM 375 O VAL A 26 19.329 -5.772 0.251 1.00 0.00 O ATOM 376 CB VAL A 26 17.601 -3.111 0.932 1.00 0.00 C ATOM 377 CG1 VAL A 26 17.916 -3.642 2.319 1.00 0.00 C ATOM 378 CG2 VAL A 26 18.677 -2.128 0.516 1.00 0.00 C ATOM 0 H VAL A 26 16.653 -5.709 1.168 1.00 0.00 H new ATOM 0 HA VAL A 26 17.082 -3.841 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 26 16.639 -2.600 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.003 -2.809 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.116 -4.306 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.856 -4.193 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.751 -1.334 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 26 19.633 -2.645 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 26 18.421 -1.697 -0.452 1.00 0.00 H new ATOM 388 N GLY A 27 19.371 -4.418 -1.539 1.00 0.00 N ATOM 389 CA GLY A 27 20.742 -4.627 -1.885 1.00 0.00 C ATOM 390 C GLY A 27 21.371 -3.269 -1.743 1.00 0.00 C ATOM 391 O GLY A 27 20.615 -2.287 -1.832 1.00 0.00 O ATOM 0 H GLY A 27 18.852 -3.878 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 21.213 -5.355 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.842 -5.008 -2.901 1.00 0.00 H new ATOM 395 N PRO A 28 22.694 -3.123 -1.538 1.00 0.00 N ATOM 396 CA PRO A 28 23.282 -1.803 -1.237 1.00 0.00 C ATOM 397 C PRO A 28 22.874 -0.737 -2.263 1.00 0.00 C ATOM 398 O PRO A 28 23.119 -0.881 -3.464 1.00 0.00 O ATOM 399 CB PRO A 28 24.801 -2.063 -1.303 1.00 0.00 C ATOM 400 CG PRO A 28 24.947 -3.414 -1.938 1.00 0.00 C ATOM 401 CD PRO A 28 23.705 -4.177 -1.593 1.00 0.00 C ATOM 0 HA PRO A 28 22.945 -1.416 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.306 -1.296 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 28 25.246 -2.046 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.061 -3.326 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.834 -3.926 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.468 -4.929 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 28 23.800 -4.699 -0.641 1.00 0.00 H new ATOM 409 N ASP A 29 22.273 0.335 -1.749 1.00 0.00 N ATOM 410 CA ASP A 29 21.740 1.481 -2.530 1.00 0.00 C ATOM 411 C ASP A 29 20.822 1.043 -3.685 1.00 0.00 C ATOM 412 O ASP A 29 20.631 1.778 -4.662 1.00 0.00 O ATOM 413 CB ASP A 29 22.862 2.405 -3.033 1.00 0.00 C ATOM 414 CG ASP A 29 23.574 3.140 -1.920 1.00 0.00 C ATOM 415 OD1 ASP A 29 24.574 2.614 -1.387 1.00 0.00 O ATOM 416 OD2 ASP A 29 23.162 4.270 -1.564 1.00 0.00 O ATOM 0 H ASP A 29 22.133 0.446 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 29 21.123 2.053 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.588 1.814 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.441 3.132 -3.728 1.00 0.00 H new ATOM 421 N ARG A 30 20.209 -0.116 -3.551 1.00 0.00 N ATOM 422 CA ARG A 30 19.352 -0.645 -4.595 1.00 0.00 C ATOM 423 C ARG A 30 17.907 -0.553 -4.201 1.00 0.00 C ATOM 424 O ARG A 30 17.018 -0.743 -5.027 1.00 0.00 O ATOM 425 CB ARG A 30 19.725 -2.082 -4.938 1.00 0.00 C ATOM 426 CG ARG A 30 21.106 -2.208 -5.537 1.00 0.00 C ATOM 427 CD ARG A 30 21.496 -3.647 -5.755 1.00 0.00 C ATOM 428 NE ARG A 30 22.826 -3.741 -6.381 1.00 0.00 N ATOM 429 CZ ARG A 30 23.215 -4.697 -7.240 1.00 0.00 C ATOM 430 NH1 ARG A 30 22.418 -5.723 -7.514 1.00 0.00 N ATOM 431 NH2 ARG A 30 24.412 -4.630 -7.807 1.00 0.00 N ATOM 0 H ARG A 30 20.288 -0.712 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 30 19.502 -0.036 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.670 -2.691 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.993 -2.484 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.139 -1.675 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.832 -1.731 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 30 21.500 -4.176 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.756 -4.137 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 30 23.508 -3.021 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.502 -5.790 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.722 -6.444 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 30 25.036 -3.853 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.709 -5.356 -8.460 1.00 0.00 H new ATOM 445 N LEU A 31 17.656 -0.188 -2.950 1.00 0.00 N ATOM 446 CA LEU A 31 16.277 -0.098 -2.479 1.00 0.00 C ATOM 447 C LEU A 31 15.642 1.144 -3.092 1.00 0.00 C ATOM 448 O LEU A 31 14.433 1.238 -3.225 1.00 0.00 O ATOM 449 CB LEU A 31 16.232 -0.091 -0.920 1.00 0.00 C ATOM 450 CG LEU A 31 14.876 -0.343 -0.204 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.975 0.876 -0.210 1.00 0.00 C ATOM 452 CD2 LEU A 31 14.173 -1.522 -0.843 1.00 0.00 C ATOM 0 H LEU A 31 18.368 0.045 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 31 15.703 -0.969 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.935 -0.845 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.607 0.876 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 31 15.095 -0.564 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.043 0.642 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.474 1.700 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.760 1.164 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.223 -1.696 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.991 -1.310 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.799 -2.410 -0.755 1.00 0.00 H new ATOM 464 N GLU A 32 16.504 2.045 -3.531 1.00 0.00 N ATOM 465 CA GLU A 32 16.133 3.301 -4.144 1.00 0.00 C ATOM 466 C GLU A 32 15.205 3.073 -5.347 1.00 0.00 C ATOM 467 O GLU A 32 14.143 3.667 -5.441 1.00 0.00 O ATOM 468 CB GLU A 32 17.400 4.029 -4.584 1.00 0.00 C ATOM 469 CG GLU A 32 17.230 5.520 -4.692 1.00 0.00 C ATOM 470 CD GLU A 32 16.709 6.083 -3.398 1.00 0.00 C ATOM 471 OE1 GLU A 32 17.301 5.825 -2.342 1.00 0.00 O ATOM 472 OE2 GLU A 32 15.672 6.764 -3.400 1.00 0.00 O ATOM 0 H GLU A 32 17.514 1.914 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 32 15.591 3.907 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.198 3.813 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.718 3.637 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.184 5.984 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.541 5.756 -5.503 1.00 0.00 H new ATOM 479 N LYS A 33 15.580 2.158 -6.227 1.00 0.00 N ATOM 480 CA LYS A 33 14.757 1.880 -7.402 1.00 0.00 C ATOM 481 C LYS A 33 13.582 0.984 -7.027 1.00 0.00 C ATOM 482 O LYS A 33 12.541 0.979 -7.688 1.00 0.00 O ATOM 483 CB LYS A 33 15.571 1.231 -8.529 1.00 0.00 C ATOM 484 CG LYS A 33 16.235 -0.081 -8.137 1.00 0.00 C ATOM 485 CD LYS A 33 16.808 -0.822 -9.336 1.00 0.00 C ATOM 486 CE LYS A 33 15.709 -1.222 -10.318 1.00 0.00 C ATOM 487 NZ LYS A 33 16.209 -2.123 -11.364 1.00 0.00 N ATOM 0 H LYS A 33 16.432 1.602 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 33 14.381 2.835 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.915 1.054 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.339 1.931 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.033 0.118 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.507 -0.717 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.538 -0.190 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.337 -1.712 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.898 -1.709 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.291 -0.327 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.432 -2.370 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.965 -1.649 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.584 -2.989 -10.926 1.00 0.00 H new ATOM 501 N LEU A 34 13.734 0.266 -5.933 1.00 0.00 N ATOM 502 CA LEU A 34 12.714 -0.643 -5.460 1.00 0.00 C ATOM 503 C LEU A 34 11.628 0.102 -4.683 1.00 0.00 C ATOM 504 O LEU A 34 10.705 -0.506 -4.122 1.00 0.00 O ATOM 505 CB LEU A 34 13.332 -1.766 -4.639 1.00 0.00 C ATOM 506 CG LEU A 34 14.299 -2.686 -5.399 1.00 0.00 C ATOM 507 CD1 LEU A 34 14.910 -3.701 -4.466 1.00 0.00 C ATOM 508 CD2 LEU A 34 13.590 -3.389 -6.552 1.00 0.00 C ATOM 0 H LEU A 34 14.569 0.297 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 34 12.232 -1.097 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.864 -1.326 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.528 -2.375 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 34 15.096 -2.068 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.592 -4.343 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.459 -3.186 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.121 -4.308 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.296 -4.034 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.769 -3.990 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.197 -2.645 -7.245 1.00 0.00 H new ATOM 520 N LYS A 35 11.786 1.408 -4.604 1.00 0.00 N ATOM 521 CA LYS A 35 10.761 2.292 -4.092 1.00 0.00 C ATOM 522 C LYS A 35 9.821 2.613 -5.233 1.00 0.00 C ATOM 523 O LYS A 35 8.610 2.543 -5.106 1.00 0.00 O ATOM 524 CB LYS A 35 11.370 3.613 -3.623 1.00 0.00 C ATOM 525 CG LYS A 35 12.339 3.525 -2.472 1.00 0.00 C ATOM 526 CD LYS A 35 12.984 4.876 -2.238 1.00 0.00 C ATOM 527 CE LYS A 35 13.955 4.842 -1.083 1.00 0.00 C ATOM 528 NZ LYS A 35 14.673 6.125 -0.936 1.00 0.00 N ATOM 0 H LYS A 35 12.637 1.889 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 35 10.255 1.807 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.882 4.074 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.559 4.283 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.819 3.199 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.104 2.779 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.505 5.191 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.211 5.619 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.417 4.618 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.674 4.038 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.623 5.949 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.754 6.586 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.147 6.745 -0.287 1.00 0.00 H new ATOM 542 N ASN A 36 10.425 2.877 -6.374 1.00 0.00 N ATOM 543 CA ASN A 36 9.727 3.369 -7.544 1.00 0.00 C ATOM 544 C ASN A 36 8.965 2.255 -8.193 1.00 0.00 C ATOM 545 O ASN A 36 7.861 2.455 -8.697 1.00 0.00 O ATOM 546 CB ASN A 36 10.738 3.962 -8.532 1.00 0.00 C ATOM 547 CG ASN A 36 10.107 4.552 -9.783 1.00 0.00 C ATOM 548 OD1 ASN A 36 8.987 5.066 -9.771 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.825 4.496 -10.862 1.00 0.00 N ATOM 0 H ASN A 36 11.428 2.754 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 36 9.023 4.145 -7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.312 4.738 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.443 3.184 -8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.466 4.884 -11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.749 4.064 -10.838 1.00 0.00 H new ATOM 556 N VAL A 37 9.541 1.057 -8.141 1.00 0.00 N ATOM 557 CA VAL A 37 8.934 -0.120 -8.737 1.00 0.00 C ATOM 558 C VAL A 37 7.525 -0.354 -8.163 1.00 0.00 C ATOM 559 O VAL A 37 6.622 -0.779 -8.874 1.00 0.00 O ATOM 560 CB VAL A 37 9.834 -1.385 -8.569 1.00 0.00 C ATOM 561 CG1 VAL A 37 9.877 -1.899 -7.138 1.00 0.00 C ATOM 562 CG2 VAL A 37 9.422 -2.471 -9.528 1.00 0.00 C ATOM 0 H VAL A 37 10.437 0.880 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 37 8.839 0.062 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 37 10.851 -1.077 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.518 -2.779 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.273 -1.122 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.870 -2.165 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.064 -3.341 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.386 -2.751 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.517 -2.108 -10.551 1.00 0.00 H new ATOM 572 N ILE A 38 7.349 0.005 -6.890 1.00 0.00 N ATOM 573 CA ILE A 38 6.083 -0.100 -6.211 1.00 0.00 C ATOM 574 C ILE A 38 5.049 0.749 -6.930 1.00 0.00 C ATOM 575 O ILE A 38 4.071 0.237 -7.437 1.00 0.00 O ATOM 576 CB ILE A 38 6.199 0.386 -4.738 1.00 0.00 C ATOM 577 CG1 ILE A 38 7.275 -0.410 -3.967 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.853 0.335 -4.028 1.00 0.00 C ATOM 579 CD1 ILE A 38 7.105 -1.915 -4.019 1.00 0.00 C ATOM 0 H ILE A 38 8.097 0.379 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 38 5.781 -1.147 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 38 6.516 1.429 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.255 -0.154 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.266 -0.092 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.970 0.681 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.142 0.977 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.482 -0.690 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.904 -2.391 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.142 -2.187 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.147 -2.250 -5.055 1.00 0.00 H new ATOM 591 N HIS A 39 5.324 2.028 -7.027 1.00 0.00 N ATOM 592 CA HIS A 39 4.425 2.991 -7.645 1.00 0.00 C ATOM 593 C HIS A 39 4.143 2.603 -9.124 1.00 0.00 C ATOM 594 O HIS A 39 3.020 2.753 -9.620 1.00 0.00 O ATOM 595 CB HIS A 39 5.058 4.389 -7.536 1.00 0.00 C ATOM 596 CG HIS A 39 4.143 5.537 -7.838 1.00 0.00 C ATOM 597 ND1 HIS A 39 3.655 6.397 -6.877 1.00 0.00 N ATOM 598 CD2 HIS A 39 3.669 5.993 -9.022 1.00 0.00 C ATOM 599 CE1 HIS A 39 2.920 7.329 -7.495 1.00 0.00 C ATOM 600 NE2 HIS A 39 2.897 7.129 -8.802 1.00 0.00 N ATOM 0 H HIS A 39 6.188 2.441 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 39 3.465 2.994 -7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.448 4.514 -6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.909 4.437 -8.215 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.824 6.334 -5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.860 5.545 -9.986 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.412 8.139 -6.992 1.00 0.00 H new ATOM 608 N LYS A 40 5.158 2.053 -9.786 1.00 0.00 N ATOM 609 CA LYS A 40 5.049 1.611 -11.182 1.00 0.00 C ATOM 610 C LYS A 40 4.075 0.445 -11.333 1.00 0.00 C ATOM 611 O LYS A 40 3.309 0.386 -12.292 1.00 0.00 O ATOM 612 CB LYS A 40 6.416 1.203 -11.724 1.00 0.00 C ATOM 613 CG LYS A 40 7.418 2.335 -11.754 1.00 0.00 C ATOM 614 CD LYS A 40 8.812 1.867 -12.181 1.00 0.00 C ATOM 615 CE LYS A 40 8.851 1.326 -13.609 1.00 0.00 C ATOM 616 NZ LYS A 40 8.519 2.357 -14.620 1.00 0.00 N ATOM 0 H LYS A 40 6.079 1.900 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 40 4.665 2.455 -11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.813 0.393 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.295 0.809 -12.733 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.070 3.107 -12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.477 2.791 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.510 2.699 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.154 1.092 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.844 0.927 -13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.150 0.496 -13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.659 1.966 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.527 2.647 -14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.138 3.182 -14.490 1.00 0.00 H new ATOM 630 N ILE A 41 4.104 -0.473 -10.399 1.00 0.00 N ATOM 631 CA ILE A 41 3.221 -1.630 -10.443 1.00 0.00 C ATOM 632 C ILE A 41 1.849 -1.281 -9.864 1.00 0.00 C ATOM 633 O ILE A 41 0.812 -1.643 -10.416 1.00 0.00 O ATOM 634 CB ILE A 41 3.824 -2.827 -9.647 1.00 0.00 C ATOM 635 CG1 ILE A 41 5.182 -3.236 -10.242 1.00 0.00 C ATOM 636 CG2 ILE A 41 2.864 -4.023 -9.640 1.00 0.00 C ATOM 637 CD1 ILE A 41 5.920 -4.281 -9.429 1.00 0.00 C ATOM 0 H ILE A 41 4.729 -0.448 -9.593 1.00 0.00 H new ATOM 0 HA ILE A 41 3.112 -1.920 -11.488 1.00 0.00 H new ATOM 0 HB ILE A 41 3.974 -2.506 -8.616 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.025 -3.619 -11.250 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.810 -2.350 -10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.309 -4.844 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.923 -3.732 -9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.676 -4.345 -10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.868 -4.516 -9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.110 -3.895 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.313 -5.184 -9.361 1.00 0.00 H new ATOM 649 N PHE A 42 1.848 -0.510 -8.802 1.00 0.00 N ATOM 650 CA PHE A 42 0.639 -0.237 -8.057 1.00 0.00 C ATOM 651 C PHE A 42 -0.284 0.761 -8.727 1.00 0.00 C ATOM 652 O PHE A 42 -1.423 0.941 -8.303 1.00 0.00 O ATOM 653 CB PHE A 42 0.956 0.166 -6.634 1.00 0.00 C ATOM 654 CG PHE A 42 1.274 -0.980 -5.719 1.00 0.00 C ATOM 655 CD1 PHE A 42 2.456 -1.695 -5.822 1.00 0.00 C ATOM 656 CD2 PHE A 42 0.391 -1.313 -4.733 1.00 0.00 C ATOM 657 CE1 PHE A 42 2.737 -2.719 -4.944 1.00 0.00 C ATOM 658 CE2 PHE A 42 0.658 -2.327 -3.854 1.00 0.00 C ATOM 659 CZ PHE A 42 1.837 -3.035 -3.951 1.00 0.00 C ATOM 0 H PHE A 42 2.682 -0.055 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 42 0.083 -1.174 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.803 0.852 -6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.106 0.714 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.165 -1.447 -6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.536 -0.766 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.660 -3.272 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.056 -2.573 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.053 -3.831 -3.254 1.00 0.00 H new ATOM 669 N SER A 43 0.187 1.391 -9.772 1.00 0.00 N ATOM 670 CA SER A 43 -0.623 2.303 -10.555 1.00 0.00 C ATOM 671 C SER A 43 -1.758 1.548 -11.265 1.00 0.00 C ATOM 672 O SER A 43 -2.763 2.126 -11.666 1.00 0.00 O ATOM 673 CB SER A 43 0.266 3.014 -11.559 1.00 0.00 C ATOM 674 OG SER A 43 1.078 2.078 -12.255 1.00 0.00 O ATOM 0 H SER A 43 1.144 1.289 -10.109 1.00 0.00 H new ATOM 0 HA SER A 43 -1.082 3.040 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.348 3.570 -12.268 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.896 3.740 -11.046 1.00 0.00 H new ATOM 0 HG SER A 43 1.938 1.986 -11.795 1.00 0.00 H new ATOM 680 N LYS A 44 -1.582 0.244 -11.384 1.00 0.00 N ATOM 681 CA LYS A 44 -2.560 -0.636 -12.005 1.00 0.00 C ATOM 682 C LYS A 44 -3.828 -0.765 -11.163 1.00 0.00 C ATOM 683 O LYS A 44 -4.888 -1.130 -11.675 1.00 0.00 O ATOM 684 CB LYS A 44 -1.946 -2.017 -12.239 1.00 0.00 C ATOM 685 CG LYS A 44 -0.801 -2.033 -13.250 1.00 0.00 C ATOM 686 CD LYS A 44 -1.268 -1.651 -14.652 1.00 0.00 C ATOM 687 CE LYS A 44 -2.282 -2.651 -15.181 1.00 0.00 C ATOM 688 NZ LYS A 44 -2.767 -2.304 -16.528 1.00 0.00 N ATOM 0 H LYS A 44 -0.749 -0.240 -11.050 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.842 -0.193 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.581 -2.405 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.727 -2.696 -12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.023 -1.342 -12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.354 -3.027 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.711 -0.655 -14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.411 -1.606 -15.325 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.831 -3.643 -15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.128 -2.703 -14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.456 -3.017 -16.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.223 -1.369 -16.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.965 -2.281 -17.190 1.00 0.00 H new ATOM 702 N PHE A 45 -3.720 -0.468 -9.883 1.00 0.00 N ATOM 703 CA PHE A 45 -4.864 -0.560 -8.988 1.00 0.00 C ATOM 704 C PHE A 45 -5.639 0.747 -8.961 1.00 0.00 C ATOM 705 O PHE A 45 -6.783 0.787 -8.499 1.00 0.00 O ATOM 706 CB PHE A 45 -4.435 -0.927 -7.562 1.00 0.00 C ATOM 707 CG PHE A 45 -3.768 -2.265 -7.429 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.513 -3.405 -7.178 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.396 -2.380 -7.547 1.00 0.00 C ATOM 710 CE1 PHE A 45 -3.896 -4.636 -7.049 1.00 0.00 C ATOM 711 CE2 PHE A 45 -1.773 -3.604 -7.421 1.00 0.00 C ATOM 712 CZ PHE A 45 -2.524 -4.734 -7.170 1.00 0.00 C ATOM 0 H PHE A 45 -2.855 -0.161 -9.437 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.507 -1.351 -9.373 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.754 -0.159 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.314 -0.909 -6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.586 -3.332 -7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.803 -1.498 -7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.486 -5.519 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.700 -3.678 -7.519 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.039 -5.694 -7.068 1.00 0.00 H new ATOM 722 N GLY A 46 -5.032 1.797 -9.457 1.00 0.00 N ATOM 723 CA GLY A 46 -5.662 3.082 -9.453 1.00 0.00 C ATOM 724 C GLY A 46 -4.646 4.174 -9.288 1.00 0.00 C ATOM 725 O GLY A 46 -3.482 3.999 -9.656 1.00 0.00 O ATOM 0 H GLY A 46 -4.099 1.780 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.209 3.226 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.391 3.132 -8.644 1.00 0.00 H new ATOM 729 N LYS A 47 -5.055 5.272 -8.738 1.00 0.00 N ATOM 730 CA LYS A 47 -4.170 6.387 -8.545 1.00 0.00 C ATOM 731 C LYS A 47 -3.626 6.338 -7.143 1.00 0.00 C ATOM 732 O LYS A 47 -4.387 6.288 -6.180 1.00 0.00 O ATOM 733 CB LYS A 47 -4.890 7.721 -8.797 1.00 0.00 C ATOM 734 CG LYS A 47 -4.014 8.956 -8.571 1.00 0.00 C ATOM 735 CD LYS A 47 -4.779 10.261 -8.786 1.00 0.00 C ATOM 736 CE LYS A 47 -5.203 10.444 -10.235 1.00 0.00 C ATOM 737 NZ LYS A 47 -5.928 11.717 -10.442 1.00 0.00 N ATOM 0 H LYS A 47 -6.008 5.426 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.352 6.320 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.260 7.734 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.760 7.781 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.616 8.935 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.161 8.922 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.661 10.273 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.154 11.101 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.322 10.420 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.839 9.611 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.199 11.803 -11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.782 11.730 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.313 12.514 -10.180 1.00 0.00 H new ATOM 751 N ILE A 48 -2.323 6.360 -7.034 1.00 0.00 N ATOM 752 CA ILE A 48 -1.663 6.304 -5.769 1.00 0.00 C ATOM 753 C ILE A 48 -1.832 7.667 -5.086 1.00 0.00 C ATOM 754 O ILE A 48 -1.134 8.632 -5.421 1.00 0.00 O ATOM 755 CB ILE A 48 -0.138 6.061 -5.963 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.169 4.875 -6.916 1.00 0.00 C ATOM 757 CG2 ILE A 48 0.542 5.851 -4.624 1.00 0.00 C ATOM 758 CD1 ILE A 48 -0.193 3.510 -6.390 1.00 0.00 C ATOM 0 H ILE A 48 -1.690 6.418 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.090 5.495 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 48 0.263 6.958 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.364 5.037 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.234 4.885 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.608 5.683 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.401 6.735 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.107 4.984 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.062 2.754 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.359 3.316 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.263 3.471 -6.186 1.00 0.00 H new ATOM 770 N THR A 49 -2.806 7.760 -4.212 1.00 0.00 N ATOM 771 CA THR A 49 -3.042 8.957 -3.463 1.00 0.00 C ATOM 772 C THR A 49 -1.900 9.135 -2.466 1.00 0.00 C ATOM 773 O THR A 49 -1.211 10.158 -2.468 1.00 0.00 O ATOM 774 CB THR A 49 -4.394 8.861 -2.726 1.00 0.00 C ATOM 775 OG1 THR A 49 -5.419 8.513 -3.674 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.753 10.183 -2.051 1.00 0.00 C ATOM 0 H THR A 49 -3.456 7.001 -4.004 1.00 0.00 H new ATOM 0 HA THR A 49 -3.082 9.817 -4.132 1.00 0.00 H new ATOM 0 HB THR A 49 -4.315 8.097 -1.953 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.282 8.448 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.711 10.083 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.981 10.443 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.824 10.968 -2.804 1.00 0.00 H new ATOM 784 N ASN A 50 -1.665 8.117 -1.663 1.00 0.00 N ATOM 785 CA ASN A 50 -0.580 8.139 -0.697 1.00 0.00 C ATOM 786 C ASN A 50 0.134 6.811 -0.742 1.00 0.00 C ATOM 787 O ASN A 50 -0.511 5.762 -0.803 1.00 0.00 O ATOM 788 CB ASN A 50 -1.061 8.358 0.758 1.00 0.00 C ATOM 789 CG ASN A 50 -1.847 9.634 1.034 1.00 0.00 C ATOM 790 OD1 ASN A 50 -1.699 10.647 0.365 1.00 0.00 O ATOM 791 ND2 ASN A 50 -2.654 9.598 2.060 1.00 0.00 N ATOM 0 H ASN A 50 -2.214 7.257 -1.659 1.00 0.00 H new ATOM 0 HA ASN A 50 0.067 8.974 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.681 7.508 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.188 8.348 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.182 10.430 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.756 8.738 2.599 1.00 0.00 H new ATOM 798 N ASP A 51 1.435 6.848 -0.747 1.00 0.00 N ATOM 799 CA ASP A 51 2.251 5.651 -0.673 1.00 0.00 C ATOM 800 C ASP A 51 3.348 5.849 0.325 1.00 0.00 C ATOM 801 O ASP A 51 4.082 6.840 0.298 1.00 0.00 O ATOM 802 CB ASP A 51 2.779 5.135 -2.043 1.00 0.00 C ATOM 803 CG ASP A 51 3.604 6.106 -2.888 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.761 7.293 -2.537 1.00 0.00 O ATOM 805 OD2 ASP A 51 4.095 5.693 -3.954 1.00 0.00 O ATOM 0 H ASP A 51 1.973 7.713 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 51 1.597 4.848 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.386 4.249 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.922 4.816 -2.636 1.00 0.00 H new ATOM 810 N PHE A 52 3.433 4.939 1.233 1.00 0.00 N ATOM 811 CA PHE A 52 4.344 5.047 2.334 1.00 0.00 C ATOM 812 C PHE A 52 5.204 3.833 2.382 1.00 0.00 C ATOM 813 O PHE A 52 4.693 2.707 2.509 1.00 0.00 O ATOM 814 CB PHE A 52 3.587 5.162 3.657 1.00 0.00 C ATOM 815 CG PHE A 52 2.620 6.301 3.735 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.060 7.586 3.990 1.00 0.00 C ATOM 817 CD2 PHE A 52 1.267 6.082 3.565 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.169 8.631 4.070 1.00 0.00 C ATOM 819 CE2 PHE A 52 0.374 7.120 3.644 1.00 0.00 C ATOM 820 CZ PHE A 52 0.824 8.398 3.898 1.00 0.00 C ATOM 0 H PHE A 52 2.870 4.089 1.238 1.00 0.00 H new ATOM 0 HA PHE A 52 4.951 5.941 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.045 4.232 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.311 5.264 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.115 7.772 4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.908 5.083 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.524 9.632 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.681 6.936 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.121 9.216 3.962 1.00 0.00 H new ATOM 830 N TYR A 53 6.478 4.022 2.209 1.00 0.00 N ATOM 831 CA TYR A 53 7.391 2.927 2.314 1.00 0.00 C ATOM 832 C TYR A 53 8.180 3.096 3.609 1.00 0.00 C ATOM 833 O TYR A 53 9.074 3.952 3.685 1.00 0.00 O ATOM 834 CB TYR A 53 8.375 2.899 1.131 1.00 0.00 C ATOM 835 CG TYR A 53 7.787 3.237 -0.230 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.545 2.750 -0.650 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.484 4.064 -1.089 1.00 0.00 C ATOM 838 CE1 TYR A 53 6.032 3.089 -1.888 1.00 0.00 C ATOM 839 CE2 TYR A 53 7.984 4.403 -2.320 1.00 0.00 C ATOM 840 CZ TYR A 53 6.763 3.916 -2.723 1.00 0.00 C ATOM 841 OH TYR A 53 6.277 4.261 -3.968 1.00 0.00 O ATOM 0 H TYR A 53 6.907 4.923 1.995 1.00 0.00 H new ATOM 0 HA TYR A 53 6.828 1.994 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.184 3.599 1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.819 1.905 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.979 2.101 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.445 4.452 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.070 2.712 -2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.549 5.052 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 53 5.714 5.060 -3.890 1.00 0.00 H new ATOM 851 N PRO A 54 7.858 2.340 4.638 1.00 0.00 N ATOM 852 CA PRO A 54 8.586 2.370 5.882 1.00 0.00 C ATOM 853 C PRO A 54 9.631 1.271 5.930 1.00 0.00 C ATOM 854 O PRO A 54 9.707 0.445 5.031 1.00 0.00 O ATOM 855 CB PRO A 54 7.510 2.094 6.907 1.00 0.00 C ATOM 856 CG PRO A 54 6.485 1.252 6.193 1.00 0.00 C ATOM 857 CD PRO A 54 6.722 1.411 4.708 1.00 0.00 C ATOM 0 HA PRO A 54 9.120 3.308 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.916 1.569 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.070 3.021 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.576 0.206 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.476 1.570 6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.954 0.457 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.844 1.812 4.202 1.00 0.00 H new ATOM 865 N GLU A 55 10.437 1.263 6.947 1.00 0.00 N ATOM 866 CA GLU A 55 11.375 0.191 7.121 1.00 0.00 C ATOM 867 C GLU A 55 10.875 -0.703 8.248 1.00 0.00 C ATOM 868 O GLU A 55 9.776 -0.471 8.799 1.00 0.00 O ATOM 869 CB GLU A 55 12.814 0.681 7.412 1.00 0.00 C ATOM 870 CG GLU A 55 13.012 1.401 8.741 1.00 0.00 C ATOM 871 CD GLU A 55 12.530 2.828 8.738 1.00 0.00 C ATOM 872 OE1 GLU A 55 11.308 3.075 8.857 1.00 0.00 O ATOM 873 OE2 GLU A 55 13.376 3.732 8.634 1.00 0.00 O ATOM 0 H GLU A 55 10.466 1.983 7.669 1.00 0.00 H new ATOM 0 HA GLU A 55 11.436 -0.363 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.484 -0.179 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.119 1.351 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.487 0.852 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.071 1.386 8.997 1.00 0.00 H new ATOM 880 N GLU A 56 11.644 -1.691 8.597 1.00 0.00 N ATOM 881 CA GLU A 56 11.279 -2.585 9.657 1.00 0.00 C ATOM 882 C GLU A 56 12.479 -2.835 10.536 1.00 0.00 C ATOM 883 O GLU A 56 13.492 -3.351 10.068 1.00 0.00 O ATOM 884 CB GLU A 56 10.732 -3.910 9.098 1.00 0.00 C ATOM 885 CG GLU A 56 10.347 -4.931 10.169 1.00 0.00 C ATOM 886 CD GLU A 56 9.300 -4.417 11.139 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.668 -3.809 12.157 1.00 0.00 O ATOM 888 OE2 GLU A 56 8.094 -4.651 10.921 1.00 0.00 O ATOM 0 H GLU A 56 12.540 -1.900 8.157 1.00 0.00 H new ATOM 0 HA GLU A 56 10.488 -2.125 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.857 -3.698 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.483 -4.353 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.972 -5.832 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.239 -5.217 10.726 1.00 0.00 H new ATOM 895 N ASP A 57 12.390 -2.371 11.781 1.00 0.00 N ATOM 896 CA ASP A 57 13.407 -2.616 12.820 1.00 0.00 C ATOM 897 C ASP A 57 14.759 -1.981 12.410 1.00 0.00 C ATOM 898 O ASP A 57 15.835 -2.410 12.826 1.00 0.00 O ATOM 899 CB ASP A 57 13.504 -4.150 13.037 1.00 0.00 C ATOM 900 CG ASP A 57 14.299 -4.603 14.244 1.00 0.00 C ATOM 901 OD1 ASP A 57 14.339 -3.891 15.260 1.00 0.00 O ATOM 902 OD2 ASP A 57 14.847 -5.738 14.202 1.00 0.00 O ATOM 0 H ASP A 57 11.605 -1.808 12.107 1.00 0.00 H new ATOM 0 HA ASP A 57 13.128 -2.147 13.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.493 -4.549 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.948 -4.595 12.147 1.00 0.00 H new ATOM 907 N GLY A 58 14.665 -0.908 11.607 1.00 0.00 N ATOM 908 CA GLY A 58 15.847 -0.204 11.113 1.00 0.00 C ATOM 909 C GLY A 58 16.539 -0.961 9.992 1.00 0.00 C ATOM 910 O GLY A 58 17.670 -0.657 9.622 1.00 0.00 O ATOM 0 H GLY A 58 13.780 -0.514 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.557 0.784 10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.548 -0.053 11.934 1.00 0.00 H new ATOM 914 N LYS A 59 15.857 -1.941 9.472 1.00 0.00 N ATOM 915 CA LYS A 59 16.360 -2.822 8.446 1.00 0.00 C ATOM 916 C LYS A 59 15.385 -2.886 7.302 1.00 0.00 C ATOM 917 O LYS A 59 14.389 -2.132 7.293 1.00 0.00 O ATOM 918 CB LYS A 59 16.563 -4.215 9.019 1.00 0.00 C ATOM 919 CG LYS A 59 17.676 -4.308 10.040 1.00 0.00 C ATOM 920 CD LYS A 59 17.682 -5.653 10.728 1.00 0.00 C ATOM 921 CE LYS A 59 16.477 -5.803 11.632 1.00 0.00 C ATOM 922 NZ LYS A 59 16.403 -7.129 12.271 1.00 0.00 N ATOM 0 H LYS A 59 14.902 -2.160 9.757 1.00 0.00 H new ATOM 0 HA LYS A 59 17.313 -2.437 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.633 -4.545 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.776 -4.905 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.636 -4.144 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.558 -3.519 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.683 -6.448 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.596 -5.763 11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.510 -5.034 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.570 -5.633 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.845 -7.062 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.949 -7.803 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.363 -7.459 12.497 1.00 0.00 H new ATOM 936 N THR A 60 15.708 -3.748 6.335 1.00 0.00 N ATOM 937 CA THR A 60 14.934 -4.044 5.156 1.00 0.00 C ATOM 938 C THR A 60 13.419 -3.995 5.414 1.00 0.00 C ATOM 939 O THR A 60 12.916 -4.584 6.381 1.00 0.00 O ATOM 940 CB THR A 60 15.305 -5.463 4.734 1.00 0.00 C ATOM 941 OG1 THR A 60 16.742 -5.586 4.733 1.00 0.00 O ATOM 942 CG2 THR A 60 14.762 -5.782 3.356 1.00 0.00 C ATOM 0 H THR A 60 16.575 -4.285 6.369 1.00 0.00 H new ATOM 0 HA THR A 60 15.155 -3.298 4.392 1.00 0.00 H new ATOM 0 HB THR A 60 14.866 -6.168 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.992 -6.495 4.465 1.00 0.00 H new ATOM 0 HG21 THR A 60 15.042 -6.799 3.081 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.676 -5.694 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 60 15.178 -5.083 2.630 1.00 0.00 H new ATOM 950 N LYS A 61 12.720 -3.260 4.573 1.00 0.00 N ATOM 951 CA LYS A 61 11.298 -3.157 4.677 1.00 0.00 C ATOM 952 C LYS A 61 10.627 -4.448 4.301 1.00 0.00 C ATOM 953 O LYS A 61 11.008 -5.106 3.330 1.00 0.00 O ATOM 954 CB LYS A 61 10.739 -2.032 3.826 1.00 0.00 C ATOM 955 CG LYS A 61 11.142 -2.044 2.366 1.00 0.00 C ATOM 956 CD LYS A 61 10.202 -1.165 1.575 1.00 0.00 C ATOM 957 CE LYS A 61 10.647 -0.996 0.124 1.00 0.00 C ATOM 958 NZ LYS A 61 10.933 -2.291 -0.551 1.00 0.00 N ATOM 0 H LYS A 61 13.128 -2.725 3.807 1.00 0.00 H new ATOM 0 HA LYS A 61 11.085 -2.933 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.651 -2.066 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.052 -1.083 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.167 -1.688 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.116 -3.063 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.201 -1.595 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.139 -0.186 2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.870 -0.468 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.540 -0.372 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.311 -2.110 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.633 -2.824 0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.056 -2.845 -0.626 1.00 0.00 H new ATOM 972 N GLY A 62 9.621 -4.771 5.038 1.00 0.00 N ATOM 973 CA GLY A 62 8.892 -5.979 4.814 1.00 0.00 C ATOM 974 C GLY A 62 7.428 -5.702 4.690 1.00 0.00 C ATOM 975 O GLY A 62 6.612 -6.596 4.827 1.00 0.00 O ATOM 0 H GLY A 62 9.277 -4.207 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.253 -6.464 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.067 -6.672 5.637 1.00 0.00 H new ATOM 979 N TYR A 63 7.096 -4.437 4.462 1.00 0.00 N ATOM 980 CA TYR A 63 5.723 -4.005 4.287 1.00 0.00 C ATOM 981 C TYR A 63 5.705 -2.573 3.803 1.00 0.00 C ATOM 982 O TYR A 63 6.702 -1.856 3.969 1.00 0.00 O ATOM 983 CB TYR A 63 4.899 -4.138 5.592 1.00 0.00 C ATOM 984 CG TYR A 63 5.408 -3.284 6.739 1.00 0.00 C ATOM 985 CD1 TYR A 63 6.544 -3.647 7.448 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.764 -2.116 7.096 1.00 0.00 C ATOM 987 CE1 TYR A 63 7.024 -2.872 8.476 1.00 0.00 C ATOM 988 CE2 TYR A 63 5.246 -1.329 8.129 1.00 0.00 C ATOM 989 CZ TYR A 63 6.375 -1.717 8.813 1.00 0.00 C ATOM 990 OH TYR A 63 6.865 -0.931 9.830 1.00 0.00 O ATOM 0 H TYR A 63 7.778 -3.682 4.394 1.00 0.00 H new ATOM 0 HA TYR A 63 5.258 -4.655 3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.864 -3.867 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.899 -5.183 5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.062 -4.558 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.875 -1.813 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.910 -3.174 9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.738 -0.414 8.396 1.00 0.00 H new ATOM 0 HH TYR A 63 7.799 -0.699 9.643 1.00 0.00 H new ATOM 1000 N ILE A 64 4.611 -2.179 3.187 1.00 0.00 N ATOM 1001 CA ILE A 64 4.374 -0.812 2.714 1.00 0.00 C ATOM 1002 C ILE A 64 2.878 -0.524 2.824 1.00 0.00 C ATOM 1003 O ILE A 64 2.094 -1.440 3.130 1.00 0.00 O ATOM 1004 CB ILE A 64 4.815 -0.594 1.230 1.00 0.00 C ATOM 1005 CG1 ILE A 64 4.107 -1.606 0.336 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.336 -0.667 1.066 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.456 -1.515 -1.125 1.00 0.00 C ATOM 0 H ILE A 64 3.834 -2.810 2.991 1.00 0.00 H new ATOM 0 HA ILE A 64 4.970 -0.139 3.331 1.00 0.00 H new ATOM 0 HB ILE A 64 4.523 0.412 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.344 -2.609 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.030 -1.476 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.597 -0.510 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.805 0.104 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.690 -1.647 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.904 -2.274 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.192 -0.527 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.526 -1.678 -1.254 1.00 0.00 H new ATOM 1019 N PHE A 65 2.487 0.706 2.555 1.00 0.00 N ATOM 1020 CA PHE A 65 1.087 1.125 2.636 1.00 0.00 C ATOM 1021 C PHE A 65 0.724 1.935 1.420 1.00 0.00 C ATOM 1022 O PHE A 65 1.507 2.785 0.966 1.00 0.00 O ATOM 1023 CB PHE A 65 0.817 1.966 3.890 1.00 0.00 C ATOM 1024 CG PHE A 65 1.058 1.258 5.188 1.00 0.00 C ATOM 1025 CD1 PHE A 65 0.065 0.481 5.762 1.00 0.00 C ATOM 1026 CD2 PHE A 65 2.271 1.382 5.842 1.00 0.00 C ATOM 1027 CE1 PHE A 65 0.281 -0.162 6.964 1.00 0.00 C ATOM 1028 CE2 PHE A 65 2.490 0.745 7.044 1.00 0.00 C ATOM 1029 CZ PHE A 65 1.495 -0.031 7.607 1.00 0.00 C ATOM 0 H PHE A 65 3.126 1.450 2.273 1.00 0.00 H new ATOM 0 HA PHE A 65 0.478 0.222 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.446 2.855 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.218 2.307 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.888 0.377 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.054 1.984 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.499 -0.767 7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.440 0.852 7.546 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.667 -0.533 8.547 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.433 1.657 0.890 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.955 2.326 -0.285 1.00 0.00 C ATOM 1041 C LEU A 66 -2.347 2.832 0.027 1.00 0.00 C ATOM 1042 O LEU A 66 -3.201 2.050 0.418 1.00 0.00 O ATOM 1043 CB LEU A 66 -1.105 1.341 -1.457 1.00 0.00 C ATOM 1044 CG LEU A 66 0.125 0.795 -2.206 1.00 0.00 C ATOM 1045 CD1 LEU A 66 0.870 1.857 -2.978 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.057 -0.013 -1.323 1.00 0.00 C ATOM 0 H LEU A 66 -1.059 0.945 1.265 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.268 3.129 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.655 0.479 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.740 1.825 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.283 0.102 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.725 1.407 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.205 2.303 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.218 2.629 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.902 -0.367 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.421 0.614 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.519 -0.867 -0.911 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.577 4.094 -0.125 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.904 4.635 0.055 1.00 0.00 C ATOM 1060 C GLU A 67 -4.352 5.214 -1.261 1.00 0.00 C ATOM 1061 O GLU A 67 -3.600 5.962 -1.898 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.938 5.714 1.134 1.00 0.00 C ATOM 1063 CG GLU A 67 -3.397 5.266 2.480 1.00 0.00 C ATOM 1064 CD GLU A 67 -3.524 6.332 3.528 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -2.814 7.341 3.461 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -4.355 6.192 4.440 1.00 0.00 O ATOM 0 H GLU A 67 -1.866 4.782 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.571 3.837 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.361 6.573 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.967 6.051 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.932 4.374 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.349 4.988 2.373 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.526 4.852 -1.694 1.00 0.00 N ATOM 1074 CA TYR A 68 -6.060 5.348 -2.948 1.00 0.00 C ATOM 1075 C TYR A 68 -7.441 5.926 -2.681 1.00 0.00 C ATOM 1076 O TYR A 68 -7.996 5.753 -1.589 1.00 0.00 O ATOM 1077 CB TYR A 68 -6.259 4.229 -3.981 1.00 0.00 C ATOM 1078 CG TYR A 68 -5.085 3.344 -4.376 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -4.530 2.430 -3.493 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.611 3.356 -5.668 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -3.545 1.570 -3.894 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.612 2.511 -6.069 1.00 0.00 C ATOM 1083 CZ TYR A 68 -3.085 1.619 -5.177 1.00 0.00 C ATOM 1084 OH TYR A 68 -2.127 0.739 -5.584 1.00 0.00 O ATOM 0 H TYR A 68 -6.143 4.209 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.351 6.079 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.046 3.576 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.638 4.692 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -4.881 2.397 -2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.037 4.047 -6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.133 0.855 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.242 2.549 -7.083 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.955 0.862 -6.541 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.984 6.593 -3.668 1.00 0.00 N ATOM 1095 CA ALA A 69 -9.358 7.097 -3.642 1.00 0.00 C ATOM 1096 C ALA A 69 -10.122 6.445 -4.797 1.00 0.00 C ATOM 1097 O ALA A 69 -11.228 6.842 -5.163 1.00 0.00 O ATOM 1098 CB ALA A 69 -9.358 8.610 -3.778 1.00 0.00 C ATOM 0 H ALA A 69 -7.486 6.811 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.840 6.849 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.384 8.977 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.799 9.050 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.891 8.890 -4.722 1.00 0.00 H new ATOM 1104 N SER A 70 -9.498 5.419 -5.314 1.00 0.00 N ATOM 1105 CA SER A 70 -9.878 4.713 -6.518 1.00 0.00 C ATOM 1106 C SER A 70 -11.188 3.813 -6.403 1.00 0.00 C ATOM 1107 O SER A 70 -11.751 3.631 -5.315 1.00 0.00 O ATOM 1108 CB SER A 70 -8.641 3.877 -6.914 1.00 0.00 C ATOM 1109 OG SER A 70 -7.519 4.725 -7.111 1.00 0.00 O ATOM 0 H SER A 70 -8.661 5.028 -4.883 1.00 0.00 H new ATOM 0 HA SER A 70 -10.162 5.439 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.422 3.147 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.848 3.317 -7.826 1.00 0.00 H new ATOM 0 HG SER A 70 -7.823 5.602 -7.426 1.00 0.00 H new ATOM 1115 N PRO A 71 -11.635 3.251 -7.592 1.00 0.00 N ATOM 1116 CA PRO A 71 -12.775 2.277 -7.846 1.00 0.00 C ATOM 1117 C PRO A 71 -13.104 1.130 -6.822 1.00 0.00 C ATOM 1118 O PRO A 71 -13.938 0.284 -7.154 1.00 0.00 O ATOM 1119 CB PRO A 71 -12.380 1.636 -9.204 1.00 0.00 C ATOM 1120 CG PRO A 71 -11.122 2.322 -9.627 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.127 3.630 -8.925 1.00 0.00 C ATOM 0 HA PRO A 71 -13.695 2.858 -7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.224 0.562 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.168 1.772 -9.945 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.245 1.735 -9.356 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.093 2.457 -10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.132 4.071 -8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.773 4.357 -9.418 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.459 1.097 -5.646 1.00 0.00 N ATOM 1130 CA ALA A 72 -12.446 -0.034 -4.693 1.00 0.00 C ATOM 1131 C ALA A 72 -11.380 -0.993 -5.111 1.00 0.00 C ATOM 1132 O ALA A 72 -11.590 -2.137 -5.505 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.812 -0.707 -4.457 1.00 0.00 C ATOM 0 H ALA A 72 -11.908 1.889 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.214 0.368 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.697 -1.523 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.515 0.026 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.192 -1.100 -5.400 1.00 0.00 H new ATOM 1139 N HIS A 73 -10.215 -0.425 -5.039 1.00 0.00 N ATOM 1140 CA HIS A 73 -8.943 -0.969 -5.447 1.00 0.00 C ATOM 1141 C HIS A 73 -8.461 -2.020 -4.468 1.00 0.00 C ATOM 1142 O HIS A 73 -7.896 -3.030 -4.860 1.00 0.00 O ATOM 1143 CB HIS A 73 -7.932 0.205 -5.473 1.00 0.00 C ATOM 1144 CG HIS A 73 -7.925 0.997 -4.170 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -7.103 0.720 -3.105 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -8.748 1.994 -3.748 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -7.449 1.519 -2.098 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -8.441 2.313 -2.438 1.00 0.00 N ATOM 0 H HIS A 73 -10.115 0.517 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.038 -1.442 -6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.932 -0.185 -5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.176 0.873 -6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.519 2.462 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.976 1.516 -1.127 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.891 3.019 -1.855 1.00 0.00 H new ATOM 1156 N ALA A 74 -8.720 -1.789 -3.195 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.274 -2.682 -2.164 1.00 0.00 C ATOM 1158 C ALA A 74 -9.165 -3.858 -2.165 1.00 0.00 C ATOM 1159 O ALA A 74 -8.725 -4.970 -2.018 1.00 0.00 O ATOM 1160 CB ALA A 74 -8.261 -1.991 -0.808 1.00 0.00 C ATOM 0 H ALA A 74 -9.242 -0.981 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.249 -2.998 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.919 -2.691 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.587 -1.135 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.267 -1.651 -0.563 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.419 -3.584 -2.408 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.456 -4.586 -2.520 1.00 0.00 C ATOM 1168 C VAL A 75 -11.135 -5.527 -3.693 1.00 0.00 C ATOM 1169 O VAL A 75 -11.269 -6.756 -3.576 1.00 0.00 O ATOM 1170 CB VAL A 75 -12.821 -3.888 -2.754 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.953 -4.881 -2.886 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -13.109 -2.894 -1.642 1.00 0.00 C ATOM 0 H VAL A 75 -10.761 -2.632 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.506 -5.170 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 75 -12.752 -3.350 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.889 -4.346 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.761 -5.542 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.027 -5.472 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.071 -2.414 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.138 -3.416 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.325 -2.137 -1.618 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.698 -4.944 -4.801 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.301 -5.717 -5.975 1.00 0.00 C ATOM 1184 C ASP A 76 -9.070 -6.549 -5.648 1.00 0.00 C ATOM 1185 O ASP A 76 -9.046 -7.762 -5.877 1.00 0.00 O ATOM 1186 CB ASP A 76 -9.982 -4.800 -7.159 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.748 -5.573 -8.445 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.727 -5.822 -9.190 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.588 -5.934 -8.743 1.00 0.00 O ATOM 0 H ASP A 76 -10.608 -3.934 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.133 -6.366 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.804 -4.100 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.096 -4.208 -6.928 1.00 0.00 H new ATOM 1194 N ALA A 77 -8.074 -5.890 -5.068 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.811 -6.517 -4.702 1.00 0.00 C ATOM 1196 C ALA A 77 -7.011 -7.693 -3.755 1.00 0.00 C ATOM 1197 O ALA A 77 -6.595 -8.803 -4.063 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.866 -5.498 -4.083 1.00 0.00 C ATOM 0 H ALA A 77 -8.121 -4.898 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.366 -6.904 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.929 -5.986 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.669 -4.701 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.322 -5.075 -3.188 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.703 -7.455 -2.635 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.903 -8.466 -1.609 1.00 0.00 C ATOM 1206 C VAL A 78 -8.635 -9.693 -2.125 1.00 0.00 C ATOM 1207 O VAL A 78 -8.399 -10.799 -1.660 1.00 0.00 O ATOM 1208 CB VAL A 78 -8.629 -7.904 -0.342 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -7.803 -6.839 0.349 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -10.027 -7.384 -0.653 1.00 0.00 C ATOM 0 H VAL A 78 -8.136 -6.557 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.899 -8.772 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.742 -8.745 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.340 -6.473 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.849 -7.264 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.625 -6.013 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.486 -7.006 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.961 -6.580 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.635 -8.194 -1.056 1.00 0.00 H new ATOM 1220 N LYS A 79 -9.508 -9.496 -3.081 1.00 0.00 N ATOM 1221 CA LYS A 79 -10.287 -10.580 -3.601 1.00 0.00 C ATOM 1222 C LYS A 79 -9.543 -11.348 -4.693 1.00 0.00 C ATOM 1223 O LYS A 79 -9.721 -12.550 -4.834 1.00 0.00 O ATOM 1224 CB LYS A 79 -11.644 -10.068 -4.106 1.00 0.00 C ATOM 1225 CG LYS A 79 -12.646 -11.163 -4.498 1.00 0.00 C ATOM 1226 CD LYS A 79 -12.912 -12.141 -3.344 1.00 0.00 C ATOM 1227 CE LYS A 79 -13.420 -11.431 -2.091 1.00 0.00 C ATOM 1228 NZ LYS A 79 -13.600 -12.363 -0.966 1.00 0.00 N ATOM 0 H LYS A 79 -9.694 -8.591 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.463 -11.283 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.092 -9.447 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.474 -9.426 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.585 -10.702 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.264 -11.713 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.644 -12.883 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.994 -12.679 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.715 -10.650 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.368 -10.940 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.010 -11.855 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.239 -13.132 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.679 -12.761 -0.694 1.00 0.00 H new ATOM 1242 N ASN A 80 -8.700 -10.673 -5.436 1.00 0.00 N ATOM 1243 CA ASN A 80 -8.082 -11.308 -6.594 1.00 0.00 C ATOM 1244 C ASN A 80 -6.634 -11.699 -6.395 1.00 0.00 C ATOM 1245 O ASN A 80 -6.234 -12.789 -6.801 1.00 0.00 O ATOM 1246 CB ASN A 80 -8.238 -10.461 -7.867 1.00 0.00 C ATOM 1247 CG ASN A 80 -9.688 -10.292 -8.289 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -10.239 -11.109 -9.028 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -10.314 -9.244 -7.837 1.00 0.00 N ATOM 0 H ASN A 80 -8.425 -9.705 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.634 -12.239 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.796 -9.479 -7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.680 -10.928 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.288 -9.082 -8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.831 -8.585 -7.227 1.00 0.00 H new ATOM 1256 N ALA A 81 -5.843 -10.860 -5.761 1.00 0.00 N ATOM 1257 CA ALA A 81 -4.431 -11.149 -5.649 1.00 0.00 C ATOM 1258 C ALA A 81 -3.863 -10.817 -4.282 1.00 0.00 C ATOM 1259 O ALA A 81 -3.350 -9.729 -4.052 1.00 0.00 O ATOM 1260 CB ALA A 81 -3.641 -10.468 -6.757 1.00 0.00 C ATOM 0 H ALA A 81 -6.146 -9.990 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.327 -12.228 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.582 -10.704 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.993 -10.823 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.781 -9.389 -6.693 1.00 0.00 H new ATOM 1266 N ASP A 82 -4.007 -11.748 -3.385 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.446 -11.682 -2.055 1.00 0.00 C ATOM 1268 C ASP A 82 -2.449 -12.781 -1.883 1.00 0.00 C ATOM 1269 O ASP A 82 -2.779 -13.961 -2.013 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.525 -11.753 -0.954 1.00 0.00 C ATOM 1271 CG ASP A 82 -3.956 -12.106 0.417 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -2.973 -11.505 0.850 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.503 -13.002 1.090 1.00 0.00 O ATOM 0 H ASP A 82 -4.534 -12.604 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.955 -10.715 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.037 -10.793 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.273 -12.496 -1.233 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.240 -12.393 -1.644 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.186 -13.333 -1.434 1.00 0.00 C ATOM 1280 C GLY A 83 0.408 -13.814 -2.724 1.00 0.00 C ATOM 1281 O GLY A 83 0.708 -14.997 -2.862 1.00 0.00 O ATOM 0 H GLY A 83 -0.954 -11.416 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.593 -12.873 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.568 -14.185 -0.872 1.00 0.00 H new ATOM 1285 N TYR A 84 0.613 -12.917 -3.668 1.00 0.00 N ATOM 1286 CA TYR A 84 1.156 -13.336 -4.930 1.00 0.00 C ATOM 1287 C TYR A 84 2.672 -13.321 -4.930 1.00 0.00 C ATOM 1288 O TYR A 84 3.312 -12.297 -4.638 1.00 0.00 O ATOM 1289 CB TYR A 84 0.509 -12.647 -6.150 1.00 0.00 C ATOM 1290 CG TYR A 84 0.662 -11.140 -6.299 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.152 -10.258 -5.596 1.00 0.00 C ATOM 1292 CD2 TYR A 84 1.579 -10.608 -7.197 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -0.046 -8.889 -5.778 1.00 0.00 C ATOM 1294 CE2 TYR A 84 1.680 -9.246 -7.395 1.00 0.00 C ATOM 1295 CZ TYR A 84 0.869 -8.389 -6.684 1.00 0.00 C ATOM 1296 OH TYR A 84 0.959 -7.026 -6.895 1.00 0.00 O ATOM 0 H TYR A 84 0.416 -11.920 -3.584 1.00 0.00 H new ATOM 0 HA TYR A 84 0.873 -14.381 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.916 -13.112 -7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.557 -12.872 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.878 -10.647 -4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.225 -11.273 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.675 -8.216 -5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.393 -8.853 -8.105 1.00 0.00 H new ATOM 0 HH TYR A 84 1.653 -6.843 -7.562 1.00 0.00 H new ATOM 1306 N LYS A 85 3.217 -14.488 -5.179 1.00 0.00 N ATOM 1307 CA LYS A 85 4.629 -14.753 -5.157 1.00 0.00 C ATOM 1308 C LYS A 85 5.298 -14.284 -6.443 1.00 0.00 C ATOM 1309 O LYS A 85 4.894 -14.676 -7.536 1.00 0.00 O ATOM 1310 CB LYS A 85 4.870 -16.275 -5.014 1.00 0.00 C ATOM 1311 CG LYS A 85 4.024 -16.984 -3.946 1.00 0.00 C ATOM 1312 CD LYS A 85 2.726 -17.609 -4.491 1.00 0.00 C ATOM 1313 CE LYS A 85 2.998 -18.686 -5.524 1.00 0.00 C ATOM 1314 NZ LYS A 85 1.753 -19.265 -6.060 1.00 0.00 N ATOM 0 H LYS A 85 2.662 -15.311 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 85 5.056 -14.212 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.677 -16.747 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.923 -16.438 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.625 -17.766 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.771 -16.269 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.156 -18.035 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.108 -16.829 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.583 -18.265 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.601 -19.475 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.984 -19.996 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.206 -19.690 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.189 -18.517 -6.512 1.00 0.00 H new ATOM 1328 N LEU A 86 6.274 -13.413 -6.319 1.00 0.00 N ATOM 1329 CA LEU A 86 7.085 -13.036 -7.469 1.00 0.00 C ATOM 1330 C LEU A 86 8.245 -14.004 -7.631 1.00 0.00 C ATOM 1331 O LEU A 86 8.313 -14.754 -8.613 1.00 0.00 O ATOM 1332 CB LEU A 86 7.655 -11.607 -7.395 1.00 0.00 C ATOM 1333 CG LEU A 86 6.685 -10.428 -7.433 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.478 -9.134 -7.586 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.671 -10.574 -8.565 1.00 0.00 C ATOM 0 H LEU A 86 6.529 -12.953 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 86 6.410 -13.073 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.234 -11.529 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.354 -11.487 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 86 6.124 -10.406 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.792 -8.288 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.158 -9.022 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.052 -9.166 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.997 -9.718 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.195 -10.620 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.096 -11.489 -8.423 1.00 0.00 H new ATOM 1347 N ASP A 87 9.147 -13.986 -6.655 1.00 0.00 N ATOM 1348 CA ASP A 87 10.373 -14.771 -6.683 1.00 0.00 C ATOM 1349 C ASP A 87 11.016 -14.704 -5.297 1.00 0.00 C ATOM 1350 O ASP A 87 10.812 -13.711 -4.578 1.00 0.00 O ATOM 1351 CB ASP A 87 11.300 -14.195 -7.760 1.00 0.00 C ATOM 1352 CG ASP A 87 12.598 -14.931 -7.955 1.00 0.00 C ATOM 1353 OD1 ASP A 87 12.655 -16.158 -7.738 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.596 -14.278 -8.355 1.00 0.00 O ATOM 0 H ASP A 87 9.045 -13.419 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 87 10.174 -15.815 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.763 -14.182 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.524 -13.159 -7.506 1.00 0.00 H new ATOM 1359 N LYS A 88 11.797 -15.732 -4.952 1.00 0.00 N ATOM 1360 CA LYS A 88 12.390 -15.951 -3.637 1.00 0.00 C ATOM 1361 C LYS A 88 11.430 -15.741 -2.457 1.00 0.00 C ATOM 1362 O LYS A 88 10.718 -16.678 -2.050 1.00 0.00 O ATOM 1363 CB LYS A 88 13.690 -15.196 -3.432 1.00 0.00 C ATOM 1364 CG LYS A 88 14.949 -15.786 -4.078 1.00 0.00 C ATOM 1365 CD LYS A 88 15.151 -15.334 -5.518 1.00 0.00 C ATOM 1366 CE LYS A 88 15.451 -13.838 -5.597 1.00 0.00 C ATOM 1367 NZ LYS A 88 15.680 -13.386 -6.978 1.00 0.00 N ATOM 0 H LYS A 88 12.042 -16.466 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 88 12.627 -17.015 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.557 -14.183 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.867 -15.112 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.820 -15.500 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.888 -16.874 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.972 -15.895 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.257 -15.558 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.619 -13.280 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.330 -13.614 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.946 -12.381 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.446 -13.945 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.810 -13.512 -7.533 1.00 0.00 H new ATOM 1381 N GLN A 89 11.387 -14.526 -1.926 1.00 0.00 N ATOM 1382 CA GLN A 89 10.580 -14.244 -0.751 1.00 0.00 C ATOM 1383 C GLN A 89 9.404 -13.339 -1.086 1.00 0.00 C ATOM 1384 O GLN A 89 8.390 -13.372 -0.403 1.00 0.00 O ATOM 1385 CB GLN A 89 11.445 -13.583 0.345 1.00 0.00 C ATOM 1386 CG GLN A 89 11.913 -12.165 0.012 1.00 0.00 C ATOM 1387 CD GLN A 89 12.883 -11.591 1.024 1.00 0.00 C ATOM 1388 OE1 GLN A 89 13.661 -12.313 1.640 1.00 0.00 O ATOM 1389 NE2 GLN A 89 12.838 -10.293 1.206 1.00 0.00 N ATOM 0 H GLN A 89 11.901 -13.724 -2.291 1.00 0.00 H new ATOM 0 HA GLN A 89 10.188 -15.193 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.875 -13.556 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.320 -14.208 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.386 -12.169 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.043 -11.511 -0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.177 -9.726 0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.464 -9.850 1.879 1.00 0.00 H new ATOM 1398 N HIS A 90 9.528 -12.583 -2.180 1.00 0.00 N ATOM 1399 CA HIS A 90 8.571 -11.525 -2.529 1.00 0.00 C ATOM 1400 C HIS A 90 7.199 -12.084 -2.773 1.00 0.00 C ATOM 1401 O HIS A 90 6.936 -12.681 -3.815 1.00 0.00 O ATOM 1402 CB HIS A 90 9.016 -10.746 -3.762 1.00 0.00 C ATOM 1403 CG HIS A 90 10.386 -10.154 -3.667 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.262 -10.087 -4.722 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.020 -9.581 -2.620 1.00 0.00 C ATOM 1406 CE1 HIS A 90 12.372 -9.492 -4.303 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.281 -9.161 -3.026 1.00 0.00 N ATOM 0 H HIS A 90 10.292 -12.685 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 90 8.536 -10.848 -1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.981 -11.409 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.301 -9.944 -3.946 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.090 -10.435 -5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 90 10.612 -9.468 -1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.236 -9.303 -4.923 1.00 0.00 H new ATOM 1415 N THR A 91 6.376 -11.975 -1.794 1.00 0.00 N ATOM 1416 CA THR A 91 5.040 -12.456 -1.862 1.00 0.00 C ATOM 1417 C THR A 91 4.129 -11.404 -1.312 1.00 0.00 C ATOM 1418 O THR A 91 4.030 -11.264 -0.119 1.00 0.00 O ATOM 1419 CB THR A 91 4.905 -13.726 -1.036 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.011 -14.590 -1.323 1.00 0.00 O ATOM 1421 CG2 THR A 91 3.621 -14.414 -1.394 1.00 0.00 C ATOM 0 H THR A 91 6.615 -11.540 -0.903 1.00 0.00 H new ATOM 0 HA THR A 91 4.779 -12.679 -2.896 1.00 0.00 H new ATOM 0 HB THR A 91 4.900 -13.481 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.820 -14.237 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.520 -15.325 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.782 -13.751 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.627 -14.667 -2.454 1.00 0.00 H new ATOM 1429 N PHE A 92 3.454 -10.693 -2.143 1.00 0.00 N ATOM 1430 CA PHE A 92 2.705 -9.569 -1.639 1.00 0.00 C ATOM 1431 C PHE A 92 1.383 -10.009 -1.098 1.00 0.00 C ATOM 1432 O PHE A 92 0.457 -10.284 -1.866 1.00 0.00 O ATOM 1433 CB PHE A 92 2.478 -8.509 -2.708 1.00 0.00 C ATOM 1434 CG PHE A 92 3.716 -8.092 -3.410 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.685 -7.377 -2.751 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.907 -8.419 -4.730 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.831 -6.990 -3.402 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.043 -8.040 -5.387 1.00 0.00 C ATOM 1439 CZ PHE A 92 6.011 -7.321 -4.723 1.00 0.00 C ATOM 0 H PHE A 92 3.396 -10.852 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 92 3.301 -9.131 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.767 -8.892 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.020 -7.634 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.545 -7.117 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.150 -8.983 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.588 -6.427 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.181 -8.304 -6.425 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.910 -7.018 -5.239 1.00 0.00 H new ATOM 1449 N ARG A 93 1.301 -10.132 0.209 1.00 0.00 N ATOM 1450 CA ARG A 93 0.029 -10.413 0.840 1.00 0.00 C ATOM 1451 C ARG A 93 -0.669 -9.102 0.986 1.00 0.00 C ATOM 1452 O ARG A 93 -0.025 -8.100 1.315 1.00 0.00 O ATOM 1453 CB ARG A 93 0.118 -11.128 2.217 1.00 0.00 C ATOM 1454 CG ARG A 93 0.697 -12.547 2.208 1.00 0.00 C ATOM 1455 CD ARG A 93 2.207 -12.581 2.042 1.00 0.00 C ATOM 1456 NE ARG A 93 2.719 -13.960 1.982 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.848 -14.402 2.567 1.00 0.00 C ATOM 1458 NH1 ARG A 93 4.562 -13.607 3.360 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.252 -15.651 2.370 1.00 0.00 N ATOM 0 H ARG A 93 2.090 -10.043 0.850 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.511 -11.119 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.725 -10.515 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.883 -11.169 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.430 -13.046 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.237 -13.114 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.485 -12.050 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.676 -12.055 2.873 1.00 0.00 H new ATOM 0 HE ARG A 93 2.172 -14.638 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.256 -12.649 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.415 -13.955 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.707 -16.276 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.107 -15.986 2.813 1.00 0.00 H new ATOM 1473 N VAL A 94 -1.939 -9.084 0.723 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.668 -7.877 0.701 1.00 0.00 C ATOM 1475 C VAL A 94 -3.858 -7.959 1.651 1.00 0.00 C ATOM 1476 O VAL A 94 -4.537 -9.006 1.748 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.171 -7.520 -0.748 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -2.089 -7.659 -1.798 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.379 -8.297 -1.166 1.00 0.00 C ATOM 0 H VAL A 94 -2.492 -9.916 0.518 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.993 -7.086 1.027 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.455 -6.470 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.495 -7.400 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.262 -6.990 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.729 -8.688 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.671 -8.001 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.149 -9.362 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.198 -8.094 -0.476 1.00 0.00 H new ATOM 1489 N ASN A 95 -4.072 -6.916 2.400 1.00 0.00 N ATOM 1490 CA ASN A 95 -5.269 -6.794 3.173 1.00 0.00 C ATOM 1491 C ASN A 95 -5.484 -5.341 3.475 1.00 0.00 C ATOM 1492 O ASN A 95 -4.681 -4.507 3.060 1.00 0.00 O ATOM 1493 CB ASN A 95 -5.280 -7.704 4.465 1.00 0.00 C ATOM 1494 CG ASN A 95 -4.275 -7.369 5.579 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -4.059 -6.131 5.829 1.00 0.00 O flip ATOM 1496 ND2 ASN A 95 -3.770 -8.260 6.253 1.00 0.00 N flip ATOM 0 H ASN A 95 -3.425 -6.132 2.490 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.108 -7.170 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.282 -7.667 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.105 -8.733 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.960 -9.237 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.160 -8.024 7.036 1.00 0.00 H new ATOM 1503 N LEU A 96 -6.519 -5.043 4.181 1.00 0.00 N ATOM 1504 CA LEU A 96 -6.823 -3.710 4.572 1.00 0.00 C ATOM 1505 C LEU A 96 -6.463 -3.464 6.012 1.00 0.00 C ATOM 1506 O LEU A 96 -5.808 -4.272 6.619 1.00 0.00 O ATOM 1507 CB LEU A 96 -8.262 -3.436 4.349 1.00 0.00 C ATOM 1508 CG LEU A 96 -9.280 -4.394 4.903 1.00 0.00 C ATOM 1509 CD1 LEU A 96 -10.507 -3.593 5.248 1.00 0.00 C ATOM 1510 CD2 LEU A 96 -9.640 -5.462 3.873 1.00 0.00 C ATOM 0 H LEU A 96 -7.193 -5.734 4.510 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.227 -3.033 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.478 -2.451 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.422 -3.372 3.273 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.877 -4.900 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.271 -4.255 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.251 -2.836 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.888 -3.107 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.378 -6.143 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.055 -4.986 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.745 -6.021 3.601 1.00 0.00 H new ATOM 1522 N PHE A 97 -6.933 -2.372 6.581 1.00 0.00 N ATOM 1523 CA PHE A 97 -6.525 -2.018 7.916 1.00 0.00 C ATOM 1524 C PHE A 97 -7.352 -2.746 8.963 1.00 0.00 C ATOM 1525 O PHE A 97 -7.305 -2.417 10.152 1.00 0.00 O ATOM 1526 CB PHE A 97 -6.567 -0.520 8.124 1.00 0.00 C ATOM 1527 CG PHE A 97 -5.339 -0.003 8.807 1.00 0.00 C ATOM 1528 CD1 PHE A 97 -5.251 0.030 10.183 1.00 0.00 C ATOM 1529 CD2 PHE A 97 -4.263 0.437 8.059 1.00 0.00 C ATOM 1530 CE1 PHE A 97 -4.111 0.495 10.806 1.00 0.00 C ATOM 1531 CE2 PHE A 97 -3.120 0.901 8.667 1.00 0.00 C ATOM 1532 CZ PHE A 97 -3.042 0.931 10.045 1.00 0.00 C ATOM 0 H PHE A 97 -7.589 -1.725 6.143 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.490 -2.339 8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -6.678 -0.025 7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.445 -0.263 8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.084 -0.312 10.780 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.321 0.416 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.054 0.518 11.884 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.287 1.240 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.147 1.295 10.528 1.00 0.00 H new ATOM 1542 N THR A 98 -8.109 -3.726 8.531 1.00 0.00 N ATOM 1543 CA THR A 98 -8.799 -4.618 9.466 1.00 0.00 C ATOM 1544 C THR A 98 -7.795 -5.576 10.169 1.00 0.00 C ATOM 1545 O THR A 98 -7.790 -6.803 9.970 1.00 0.00 O ATOM 1546 CB THR A 98 -9.937 -5.405 8.790 1.00 0.00 C ATOM 1547 OG1 THR A 98 -9.499 -5.903 7.513 1.00 0.00 O ATOM 1548 CG2 THR A 98 -11.168 -4.536 8.617 1.00 0.00 C ATOM 0 H THR A 98 -8.270 -3.935 7.546 1.00 0.00 H new ATOM 0 HA THR A 98 -9.258 -3.987 10.227 1.00 0.00 H new ATOM 0 HB THR A 98 -10.201 -6.246 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.227 -6.404 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.957 -5.115 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.511 -4.193 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 98 -10.921 -3.675 7.996 1.00 0.00 H new ATOM 1556 N ASP A 99 -6.924 -4.975 10.953 1.00 0.00 N ATOM 1557 CA ASP A 99 -5.847 -5.658 11.661 1.00 0.00 C ATOM 1558 C ASP A 99 -6.323 -6.084 13.038 1.00 0.00 C ATOM 1559 O ASP A 99 -5.690 -6.889 13.737 1.00 0.00 O ATOM 1560 CB ASP A 99 -4.677 -4.689 11.780 1.00 0.00 C ATOM 1561 CG ASP A 99 -3.435 -5.284 12.407 1.00 0.00 C ATOM 1562 OD1 ASP A 99 -2.692 -6.021 11.704 1.00 0.00 O ATOM 1563 OD2 ASP A 99 -3.156 -4.980 13.580 1.00 0.00 O ATOM 0 H ASP A 99 -6.941 -3.970 11.124 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.539 -6.552 11.119 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.426 -4.318 10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.992 -3.829 12.371 1.00 0.00 H new ATOM 1568 N PHE A 100 -7.450 -5.555 13.410 1.00 0.00 N ATOM 1569 CA PHE A 100 -8.069 -5.854 14.679 1.00 0.00 C ATOM 1570 C PHE A 100 -8.632 -7.270 14.665 1.00 0.00 C ATOM 1571 O PHE A 100 -9.173 -7.722 13.656 1.00 0.00 O ATOM 1572 CB PHE A 100 -9.161 -4.842 14.993 1.00 0.00 C ATOM 1573 CG PHE A 100 -8.668 -3.426 15.085 1.00 0.00 C ATOM 1574 CD1 PHE A 100 -8.116 -2.947 16.261 1.00 0.00 C ATOM 1575 CD2 PHE A 100 -8.758 -2.575 13.995 1.00 0.00 C ATOM 1576 CE1 PHE A 100 -7.664 -1.648 16.348 1.00 0.00 C ATOM 1577 CE2 PHE A 100 -8.307 -1.277 14.078 1.00 0.00 C ATOM 1578 CZ PHE A 100 -7.759 -0.812 15.254 1.00 0.00 C ATOM 0 H PHE A 100 -7.977 -4.895 12.838 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.313 -5.789 15.462 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.929 -4.900 14.222 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.635 -5.114 15.936 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -8.039 -3.598 17.119 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.186 -2.934 13.071 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.236 -1.285 17.271 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.383 -0.623 13.222 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.404 0.206 15.319 1.00 0.00 H new ATOM 1588 N ASP A 101 -8.490 -7.962 15.764 1.00 0.00 N ATOM 1589 CA ASP A 101 -8.898 -9.362 15.846 1.00 0.00 C ATOM 1590 C ASP A 101 -10.327 -9.502 16.331 1.00 0.00 C ATOM 1591 O ASP A 101 -11.042 -10.412 15.908 1.00 0.00 O ATOM 1592 CB ASP A 101 -7.975 -10.157 16.804 1.00 0.00 C ATOM 1593 CG ASP A 101 -8.196 -9.826 18.282 1.00 0.00 C ATOM 1594 OD1 ASP A 101 -7.607 -8.833 18.789 1.00 0.00 O ATOM 1595 OD2 ASP A 101 -8.971 -10.534 18.951 1.00 0.00 O ATOM 0 H ASP A 101 -8.094 -7.587 16.626 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.820 -9.766 14.837 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.138 -11.224 16.651 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.936 -9.953 16.546 1.00 0.00 H new ATOM 1600 N LYS A 102 -10.747 -8.590 17.197 1.00 0.00 N ATOM 1601 CA LYS A 102 -12.023 -8.720 17.880 1.00 0.00 C ATOM 1602 C LYS A 102 -13.224 -8.761 16.968 1.00 0.00 C ATOM 1603 O LYS A 102 -13.356 -7.977 16.017 1.00 0.00 O ATOM 1604 CB LYS A 102 -12.230 -7.733 19.059 1.00 0.00 C ATOM 1605 CG LYS A 102 -12.346 -6.229 18.731 1.00 0.00 C ATOM 1606 CD LYS A 102 -11.060 -5.636 18.186 1.00 0.00 C ATOM 1607 CE LYS A 102 -11.189 -4.138 17.947 1.00 0.00 C ATOM 1608 NZ LYS A 102 -11.365 -3.374 19.194 1.00 0.00 N ATOM 0 H LYS A 102 -10.221 -7.752 17.442 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.950 -9.712 18.327 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.135 -8.030 19.589 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.398 -7.861 19.752 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.143 -6.083 18.002 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.635 -5.688 19.632 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.247 -5.824 18.887 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.797 -6.132 17.252 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.299 -3.779 17.429 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.038 -3.951 17.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.244 -2.359 19.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.319 -3.543 19.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.656 -3.680 19.891 1.00 0.00 H new ATOM 1622 N TYR A 103 -14.081 -9.684 17.271 1.00 0.00 N ATOM 1623 CA TYR A 103 -15.294 -9.906 16.547 1.00 0.00 C ATOM 1624 C TYR A 103 -16.403 -9.358 17.404 1.00 0.00 C ATOM 1625 O TYR A 103 -16.340 -9.467 18.636 1.00 0.00 O ATOM 1626 CB TYR A 103 -15.477 -11.417 16.298 1.00 0.00 C ATOM 1627 CG TYR A 103 -16.671 -11.810 15.442 1.00 0.00 C ATOM 1628 CD1 TYR A 103 -16.606 -11.754 14.056 1.00 0.00 C ATOM 1629 CD2 TYR A 103 -17.850 -12.269 16.021 1.00 0.00 C ATOM 1630 CE1 TYR A 103 -17.675 -12.147 13.274 1.00 0.00 C ATOM 1631 CE2 TYR A 103 -18.927 -12.657 15.245 1.00 0.00 C ATOM 1632 CZ TYR A 103 -18.833 -12.596 13.873 1.00 0.00 C ATOM 1633 OH TYR A 103 -19.900 -13.008 13.088 1.00 0.00 O ATOM 0 H TYR A 103 -13.952 -10.325 18.054 1.00 0.00 H new ATOM 0 HA TYR A 103 -15.286 -9.416 15.573 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -14.573 -11.799 15.824 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -15.566 -11.916 17.263 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -15.704 -11.397 13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.926 -12.323 17.097 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -17.604 -12.103 12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.836 -13.006 15.712 1.00 0.00 H new ATOM 0 HH TYR A 103 -20.638 -13.296 13.665 1.00 0.00 H new ATOM 1643 N MET A 104 -17.371 -8.745 16.787 1.00 0.00 N ATOM 1644 CA MET A 104 -18.452 -8.118 17.510 1.00 0.00 C ATOM 1645 C MET A 104 -19.366 -9.154 18.164 1.00 0.00 C ATOM 1646 O MET A 104 -20.176 -9.805 17.501 1.00 0.00 O ATOM 1647 CB MET A 104 -19.246 -7.181 16.603 1.00 0.00 C ATOM 1648 CG MET A 104 -20.362 -6.424 17.309 1.00 0.00 C ATOM 1649 SD MET A 104 -21.319 -5.369 16.192 1.00 0.00 S ATOM 1650 CE MET A 104 -20.044 -4.257 15.581 1.00 0.00 C ATOM 0 H MET A 104 -17.438 -8.663 15.773 1.00 0.00 H new ATOM 0 HA MET A 104 -18.010 -7.522 18.308 1.00 0.00 H new ATOM 0 HB2 MET A 104 -18.561 -6.461 16.155 1.00 0.00 H new ATOM 0 HB3 MET A 104 -19.676 -7.762 15.787 1.00 0.00 H new ATOM 0 HG2 MET A 104 -21.032 -7.139 17.788 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.933 -5.810 18.101 1.00 0.00 H new ATOM 0 HE1 MET A 104 -20.511 -3.380 15.132 1.00 0.00 H new ATOM 0 HE2 MET A 104 -19.406 -3.945 16.408 1.00 0.00 H new ATOM 0 HE3 MET A 104 -19.442 -4.771 14.832 1.00 0.00 H new ATOM 1660 N THR A 105 -19.147 -9.359 19.425 1.00 0.00 N ATOM 1661 CA THR A 105 -19.946 -10.205 20.256 1.00 0.00 C ATOM 1662 C THR A 105 -19.820 -9.669 21.672 1.00 0.00 C ATOM 1663 O THR A 105 -18.772 -9.899 22.321 1.00 0.00 O ATOM 1664 CB THR A 105 -19.499 -11.692 20.191 1.00 0.00 C ATOM 1665 OG1 THR A 105 -19.548 -12.157 18.825 1.00 0.00 O ATOM 1666 CG2 THR A 105 -20.403 -12.572 21.051 1.00 0.00 C ATOM 1667 OXT THR A 105 -20.719 -8.937 22.109 1.00 0.00 O ATOM 0 H THR A 105 -18.373 -8.922 19.925 1.00 0.00 H new ATOM 0 HA THR A 105 -20.980 -10.191 19.912 1.00 0.00 H new ATOM 0 HB THR A 105 -18.480 -11.757 20.571 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.906 -11.448 18.251 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.069 -13.608 20.988 1.00 0.00 H new ATOM 0 HG22 THR A 105 -20.357 -12.238 22.088 1.00 0.00 H new ATOM 0 HG23 THR A 105 -21.430 -12.499 20.692 1.00 0.00 H new TER 1675 THR A 105