USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -140:sc= 0.784 (180deg=0.284) USER MOD Set 2.1: A2085 GLN : amide:sc= 0.69 K(o=2.6,f=1) USER MOD Set 2.2: A2086 GLN : amide:sc= 0.405 K(o=2.6,f=-0.97) USER MOD Set 2.3: A2089 ASN : amide:sc= 1.47 K(o=2.6,f=-0.87) USER MOD Single : A2064 SER OG : rot 19:sc= 0.357 USER MOD Single : A2066 SER OG : rot 180:sc= 0 USER MOD Single : A2069 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.36) USER MOD Single : A2074 THR OG1 : rot 81:sc= 0.963 USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2077 SER OG : rot 180:sc= 0 USER MOD Single : A2079 SER OG : rot 180:sc= 0 USER MOD Single : A2080 SER OG : rot -44:sc= 0.291 USER MOD Single : A2082 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.2) USER MOD Single : A2083 GLN : amide:sc= 1.15 K(o=1.2,f=-0.52) USER MOD Single : A2084 GLN : amide:sc= -0.165 K(o=-0.17,f=-2) USER MOD Single : A2092 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2093 SER OG : rot 180:sc= 0 USER MOD Single : A2094 ASN : amide:sc= 0.113 K(o=0.11,f=-2!) USER MOD Single : A2096 GLN :FLIP amide:sc= -1.04 F(o=-3.3,f=-1) USER MOD Single : A2098 MET CE :methyl -167:sc= 0 (180deg=-0.0838) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2104 GLN : amide:sc= -0.0759 K(o=-0.076,f=-1.5!) USER MOD Single : A2106 THR OG1 : rot 180:sc= 0 USER MOD Single : A2108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 MET CE :methyl 160:sc= 0 (180deg=-0.00949) USER MOD Single : B 46 SER OG : rot 180:sc= -0.153 USER MOD Single : B 52 GLN : amide:sc= 0.42 X(o=0.42,f=-0.011) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A2063 5.296 -4.356 -15.791 1.00 0.00 N ATOM 65 CA ILE A2063 6.030 -5.609 -16.066 1.00 0.00 C ATOM 66 C ILE A2063 5.424 -6.326 -17.291 1.00 0.00 C ATOM 67 O ILE A2063 4.282 -6.054 -17.674 1.00 0.00 O ATOM 68 CB ILE A2063 6.092 -6.556 -14.835 1.00 0.00 C ATOM 69 CG1 ILE A2063 4.707 -7.121 -14.437 1.00 0.00 C ATOM 70 CG2 ILE A2063 6.771 -5.877 -13.630 1.00 0.00 C ATOM 71 CD1 ILE A2063 4.777 -8.207 -13.354 1.00 0.00 C ATOM 0 HA ILE A2063 7.061 -5.335 -16.290 1.00 0.00 H new ATOM 0 HB ILE A2063 6.704 -7.404 -15.141 1.00 0.00 H new ATOM 0 HG12 ILE A2063 4.079 -6.304 -14.081 1.00 0.00 H new ATOM 0 HG13 ILE A2063 4.223 -7.533 -15.323 1.00 0.00 H new ATOM 0 HG21 ILE A2063 6.796 -6.569 -12.789 1.00 0.00 H new ATOM 0 HG22 ILE A2063 7.789 -5.594 -13.898 1.00 0.00 H new ATOM 0 HG23 ILE A2063 6.209 -4.986 -13.350 1.00 0.00 H new ATOM 0 HD11 ILE A2063 3.771 -8.557 -13.124 1.00 0.00 H new ATOM 0 HD12 ILE A2063 5.378 -9.042 -13.714 1.00 0.00 H new ATOM 0 HD13 ILE A2063 5.232 -7.794 -12.454 1.00 0.00 H new ATOM 83 N SER A2064 6.169 -7.252 -17.907 1.00 0.00 N ATOM 84 CA SER A2064 5.731 -8.051 -19.071 1.00 0.00 C ATOM 85 C SER A2064 6.490 -9.390 -19.155 1.00 0.00 C ATOM 86 O SER A2064 7.671 -9.437 -18.800 1.00 0.00 O ATOM 87 CB SER A2064 5.971 -7.274 -20.376 1.00 0.00 C ATOM 88 OG SER A2064 4.988 -6.265 -20.557 1.00 0.00 O ATOM 0 H SER A2064 7.118 -7.476 -17.607 1.00 0.00 H new ATOM 0 HA SER A2064 4.667 -8.250 -18.941 1.00 0.00 H new ATOM 0 HB2 SER A2064 6.962 -6.821 -20.357 1.00 0.00 H new ATOM 0 HB3 SER A2064 5.951 -7.962 -21.222 1.00 0.00 H new ATOM 0 HG SER A2064 4.554 -6.073 -19.699 1.00 0.00 H new ATOM 94 N PRO A2065 5.859 -10.480 -19.642 1.00 0.00 N ATOM 95 CA PRO A2065 6.492 -11.797 -19.765 1.00 0.00 C ATOM 96 C PRO A2065 7.542 -11.873 -20.884 1.00 0.00 C ATOM 97 O PRO A2065 8.406 -12.747 -20.839 1.00 0.00 O ATOM 98 CB PRO A2065 5.339 -12.773 -20.018 1.00 0.00 C ATOM 99 CG PRO A2065 4.311 -11.918 -20.757 1.00 0.00 C ATOM 100 CD PRO A2065 4.476 -10.544 -20.106 1.00 0.00 C ATOM 0 HA PRO A2065 7.052 -12.033 -18.860 1.00 0.00 H new ATOM 0 HB2 PRO A2065 5.658 -13.626 -20.617 1.00 0.00 H new ATOM 0 HB3 PRO A2065 4.937 -13.170 -19.086 1.00 0.00 H new ATOM 0 HG2 PRO A2065 4.510 -11.884 -21.828 1.00 0.00 H new ATOM 0 HG3 PRO A2065 3.300 -12.305 -20.633 1.00 0.00 H new ATOM 0 HD2 PRO A2065 4.267 -9.747 -20.819 1.00 0.00 H new ATOM 0 HD3 PRO A2065 3.780 -10.420 -19.276 1.00 0.00 H new ATOM 108 N SER A2066 7.519 -10.964 -21.867 1.00 0.00 N ATOM 109 CA SER A2066 8.502 -10.913 -22.963 1.00 0.00 C ATOM 110 C SER A2066 9.945 -10.768 -22.461 1.00 0.00 C ATOM 111 O SER A2066 10.867 -11.345 -23.042 1.00 0.00 O ATOM 112 CB SER A2066 8.157 -9.774 -23.927 1.00 0.00 C ATOM 113 OG SER A2066 8.012 -8.547 -23.223 1.00 0.00 O ATOM 0 H SER A2066 6.810 -10.233 -21.927 1.00 0.00 H new ATOM 0 HA SER A2066 8.445 -11.867 -23.487 1.00 0.00 H new ATOM 0 HB2 SER A2066 8.940 -9.677 -24.679 1.00 0.00 H new ATOM 0 HB3 SER A2066 7.233 -10.006 -24.457 1.00 0.00 H new ATOM 0 HG SER A2066 7.793 -7.831 -23.855 1.00 0.00 H new ATOM 119 N ALA A2067 10.146 -10.052 -21.347 1.00 0.00 N ATOM 120 CA ALA A2067 11.448 -9.869 -20.705 1.00 0.00 C ATOM 121 C ALA A2067 12.097 -11.203 -20.281 1.00 0.00 C ATOM 122 O ALA A2067 13.322 -11.314 -20.272 1.00 0.00 O ATOM 123 CB ALA A2067 11.264 -8.936 -19.502 1.00 0.00 C ATOM 0 H ALA A2067 9.389 -9.574 -20.858 1.00 0.00 H new ATOM 0 HA ALA A2067 12.134 -9.425 -21.427 1.00 0.00 H new ATOM 0 HB1 ALA A2067 12.224 -8.786 -19.008 1.00 0.00 H new ATOM 0 HB2 ALA A2067 10.877 -7.976 -19.842 1.00 0.00 H new ATOM 0 HB3 ALA A2067 10.560 -9.383 -18.799 1.00 0.00 H new ATOM 129 N LEU A2068 11.296 -12.228 -19.963 1.00 0.00 N ATOM 130 CA LEU A2068 11.780 -13.553 -19.568 1.00 0.00 C ATOM 131 C LEU A2068 12.429 -14.257 -20.774 1.00 0.00 C ATOM 132 O LEU A2068 13.541 -14.769 -20.663 1.00 0.00 O ATOM 133 CB LEU A2068 10.625 -14.391 -18.979 1.00 0.00 C ATOM 134 CG LEU A2068 10.114 -13.997 -17.574 1.00 0.00 C ATOM 135 CD1 LEU A2068 9.710 -12.533 -17.389 1.00 0.00 C ATOM 136 CD2 LEU A2068 8.912 -14.874 -17.219 1.00 0.00 C ATOM 0 H LEU A2068 10.279 -12.157 -19.974 1.00 0.00 H new ATOM 0 HA LEU A2068 12.539 -13.443 -18.793 1.00 0.00 H new ATOM 0 HB2 LEU A2068 9.784 -14.341 -19.671 1.00 0.00 H new ATOM 0 HB3 LEU A2068 10.947 -15.432 -18.942 1.00 0.00 H new ATOM 0 HG LEU A2068 10.968 -14.150 -16.914 1.00 0.00 H new ATOM 0 HD11 LEU A2068 9.369 -12.376 -16.366 1.00 0.00 H new ATOM 0 HD12 LEU A2068 10.568 -11.891 -17.588 1.00 0.00 H new ATOM 0 HD13 LEU A2068 8.905 -12.287 -18.081 1.00 0.00 H new ATOM 0 HD21 LEU A2068 8.544 -14.604 -16.229 1.00 0.00 H new ATOM 0 HD22 LEU A2068 8.121 -14.722 -17.954 1.00 0.00 H new ATOM 0 HD23 LEU A2068 9.213 -15.922 -17.221 1.00 0.00 H new ATOM 148 N GLN A2069 11.784 -14.233 -21.947 1.00 0.00 N ATOM 149 CA GLN A2069 12.361 -14.787 -23.181 1.00 0.00 C ATOM 150 C GLN A2069 13.608 -13.991 -23.608 1.00 0.00 C ATOM 151 O GLN A2069 14.594 -14.579 -24.051 1.00 0.00 O ATOM 152 CB GLN A2069 11.340 -14.807 -24.334 1.00 0.00 C ATOM 153 CG GLN A2069 10.177 -15.798 -24.140 1.00 0.00 C ATOM 154 CD GLN A2069 9.011 -15.197 -23.360 1.00 0.00 C ATOM 155 OE1 GLN A2069 8.261 -14.369 -23.857 1.00 0.00 O ATOM 156 NE2 GLN A2069 8.801 -15.594 -22.123 1.00 0.00 N ATOM 0 H GLN A2069 10.854 -13.832 -22.069 1.00 0.00 H new ATOM 0 HA GLN A2069 12.648 -15.816 -22.963 1.00 0.00 H new ATOM 0 HB2 GLN A2069 10.930 -13.805 -24.457 1.00 0.00 H new ATOM 0 HB3 GLN A2069 11.861 -15.054 -25.259 1.00 0.00 H new ATOM 0 HG2 GLN A2069 9.822 -16.130 -25.116 1.00 0.00 H new ATOM 0 HG3 GLN A2069 10.542 -16.681 -23.616 1.00 0.00 H new ATOM 0 HE21 GLN A2069 9.419 -16.284 -21.697 1.00 0.00 H new ATOM 0 HE22 GLN A2069 8.020 -15.212 -21.590 1.00 0.00 H new ATOM 165 N ASP A2070 13.590 -12.662 -23.454 1.00 0.00 N ATOM 166 CA ASP A2070 14.722 -11.792 -23.791 1.00 0.00 C ATOM 167 C ASP A2070 15.940 -12.059 -22.882 1.00 0.00 C ATOM 168 O ASP A2070 17.079 -12.083 -23.354 1.00 0.00 O ATOM 169 CB ASP A2070 14.274 -10.318 -23.740 1.00 0.00 C ATOM 170 CG ASP A2070 14.791 -9.521 -24.945 1.00 0.00 C ATOM 171 OD1 ASP A2070 14.401 -9.851 -26.089 1.00 0.00 O ATOM 172 OD2 ASP A2070 15.560 -8.550 -24.771 1.00 0.00 O ATOM 0 H ASP A2070 12.783 -12.156 -23.089 1.00 0.00 H new ATOM 0 HA ASP A2070 15.047 -12.019 -24.806 1.00 0.00 H new ATOM 0 HB2 ASP A2070 13.185 -10.270 -23.713 1.00 0.00 H new ATOM 0 HB3 ASP A2070 14.636 -9.860 -22.819 1.00 0.00 H new ATOM 177 N LEU A2071 15.710 -12.330 -21.590 1.00 0.00 N ATOM 178 CA LEU A2071 16.759 -12.716 -20.642 1.00 0.00 C ATOM 179 C LEU A2071 17.372 -14.051 -21.081 1.00 0.00 C ATOM 180 O LEU A2071 18.593 -14.150 -21.193 1.00 0.00 O ATOM 181 CB LEU A2071 16.167 -12.763 -19.217 1.00 0.00 C ATOM 182 CG LEU A2071 17.178 -13.016 -18.075 1.00 0.00 C ATOM 183 CD1 LEU A2071 16.551 -12.594 -16.744 1.00 0.00 C ATOM 184 CD2 LEU A2071 17.600 -14.482 -17.915 1.00 0.00 C ATOM 0 H LEU A2071 14.781 -12.286 -21.172 1.00 0.00 H new ATOM 0 HA LEU A2071 17.564 -11.982 -20.630 1.00 0.00 H new ATOM 0 HB2 LEU A2071 15.659 -11.818 -19.024 1.00 0.00 H new ATOM 0 HB3 LEU A2071 15.409 -13.545 -19.185 1.00 0.00 H new ATOM 0 HG LEU A2071 18.063 -12.437 -18.339 1.00 0.00 H new ATOM 0 HD11 LEU A2071 17.260 -12.771 -15.935 1.00 0.00 H new ATOM 0 HD12 LEU A2071 16.299 -11.534 -16.780 1.00 0.00 H new ATOM 0 HD13 LEU A2071 15.647 -13.176 -16.567 1.00 0.00 H new ATOM 0 HD21 LEU A2071 18.310 -14.569 -17.092 1.00 0.00 H new ATOM 0 HD22 LEU A2071 16.722 -15.092 -17.703 1.00 0.00 H new ATOM 0 HD23 LEU A2071 18.069 -14.828 -18.836 1.00 0.00 H new ATOM 196 N LEU A2072 16.546 -15.063 -21.381 1.00 0.00 N ATOM 197 CA LEU A2072 17.014 -16.373 -21.849 1.00 0.00 C ATOM 198 C LEU A2072 17.844 -16.272 -23.138 1.00 0.00 C ATOM 199 O LEU A2072 18.933 -16.847 -23.199 1.00 0.00 O ATOM 200 CB LEU A2072 15.823 -17.331 -22.040 1.00 0.00 C ATOM 201 CG LEU A2072 15.159 -17.800 -20.732 1.00 0.00 C ATOM 202 CD1 LEU A2072 13.870 -18.549 -21.073 1.00 0.00 C ATOM 203 CD2 LEU A2072 16.055 -18.734 -19.912 1.00 0.00 C ATOM 0 H LEU A2072 15.531 -14.995 -21.305 1.00 0.00 H new ATOM 0 HA LEU A2072 17.673 -16.775 -21.080 1.00 0.00 H new ATOM 0 HB2 LEU A2072 15.072 -16.837 -22.656 1.00 0.00 H new ATOM 0 HB3 LEU A2072 16.163 -18.206 -22.593 1.00 0.00 H new ATOM 0 HG LEU A2072 14.965 -16.911 -20.131 1.00 0.00 H new ATOM 0 HD11 LEU A2072 13.391 -18.886 -20.154 1.00 0.00 H new ATOM 0 HD12 LEU A2072 13.195 -17.884 -21.612 1.00 0.00 H new ATOM 0 HD13 LEU A2072 14.104 -19.411 -21.697 1.00 0.00 H new ATOM 0 HD21 LEU A2072 15.534 -19.032 -19.002 1.00 0.00 H new ATOM 0 HD22 LEU A2072 16.292 -19.620 -20.501 1.00 0.00 H new ATOM 0 HD23 LEU A2072 16.977 -18.216 -19.649 1.00 0.00 H new ATOM 215 N ARG A2073 17.382 -15.528 -24.159 1.00 0.00 N ATOM 216 CA ARG A2073 18.145 -15.362 -25.415 1.00 0.00 C ATOM 217 C ARG A2073 19.494 -14.653 -25.207 1.00 0.00 C ATOM 218 O ARG A2073 20.439 -14.907 -25.951 1.00 0.00 O ATOM 219 CB ARG A2073 17.283 -14.767 -26.547 1.00 0.00 C ATOM 220 CG ARG A2073 17.220 -13.238 -26.626 1.00 0.00 C ATOM 221 CD ARG A2073 16.332 -12.808 -27.801 1.00 0.00 C ATOM 222 NE ARG A2073 16.041 -11.365 -27.747 1.00 0.00 N ATOM 223 CZ ARG A2073 16.584 -10.373 -28.421 1.00 0.00 C ATOM 224 NH1 ARG A2073 17.513 -10.541 -29.322 1.00 0.00 N ATOM 225 NH2 ARG A2073 16.171 -9.170 -28.167 1.00 0.00 N ATOM 0 H ARG A2073 16.490 -15.034 -24.142 1.00 0.00 H new ATOM 0 HA ARG A2073 18.414 -16.362 -25.756 1.00 0.00 H new ATOM 0 HB2 ARG A2073 17.662 -15.143 -27.498 1.00 0.00 H new ATOM 0 HB3 ARG A2073 16.267 -15.145 -26.437 1.00 0.00 H new ATOM 0 HG2 ARG A2073 16.825 -12.834 -25.694 1.00 0.00 H new ATOM 0 HG3 ARG A2073 18.223 -12.831 -26.750 1.00 0.00 H new ATOM 0 HD2 ARG A2073 16.828 -13.047 -28.742 1.00 0.00 H new ATOM 0 HD3 ARG A2073 15.399 -13.371 -27.781 1.00 0.00 H new ATOM 0 HE ARG A2073 15.310 -11.094 -27.089 1.00 0.00 H new ATOM 0 HH11 ARG A2073 17.854 -11.479 -29.534 1.00 0.00 H new ATOM 0 HH12 ARG A2073 17.898 -9.735 -29.814 1.00 0.00 H new ATOM 0 HH21 ARG A2073 15.448 -9.017 -27.464 1.00 0.00 H new ATOM 0 HH22 ARG A2073 16.569 -8.377 -28.670 1.00 0.00 H new ATOM 239 N THR A2074 19.597 -13.811 -24.173 1.00 0.00 N ATOM 240 CA THR A2074 20.841 -13.123 -23.777 1.00 0.00 C ATOM 241 C THR A2074 21.764 -14.065 -22.989 1.00 0.00 C ATOM 242 O THR A2074 22.967 -14.111 -23.245 1.00 0.00 O ATOM 243 CB THR A2074 20.524 -11.873 -22.935 1.00 0.00 C ATOM 244 OG1 THR A2074 19.683 -11.001 -23.660 1.00 0.00 O ATOM 245 CG2 THR A2074 21.770 -11.063 -22.578 1.00 0.00 C ATOM 0 H THR A2074 18.805 -13.581 -23.573 1.00 0.00 H new ATOM 0 HA THR A2074 21.356 -12.815 -24.687 1.00 0.00 H new ATOM 0 HB THR A2074 20.055 -12.243 -22.023 1.00 0.00 H new ATOM 0 HG1 THR A2074 18.757 -11.316 -23.601 1.00 0.00 H new ATOM 0 HG21 THR A2074 21.482 -10.195 -21.985 1.00 0.00 H new ATOM 0 HG22 THR A2074 22.456 -11.685 -22.002 1.00 0.00 H new ATOM 0 HG23 THR A2074 22.262 -10.731 -23.492 1.00 0.00 H new ATOM 253 N LEU A2075 21.213 -14.842 -22.046 1.00 0.00 N ATOM 254 CA LEU A2075 21.921 -15.822 -21.205 1.00 0.00 C ATOM 255 C LEU A2075 22.563 -16.962 -22.023 1.00 0.00 C ATOM 256 O LEU A2075 23.628 -17.459 -21.659 1.00 0.00 O ATOM 257 CB LEU A2075 20.913 -16.371 -20.173 1.00 0.00 C ATOM 258 CG LEU A2075 21.411 -17.532 -19.287 1.00 0.00 C ATOM 259 CD1 LEU A2075 22.660 -17.181 -18.475 1.00 0.00 C ATOM 260 CD2 LEU A2075 20.300 -17.942 -18.322 1.00 0.00 C ATOM 0 H LEU A2075 20.215 -14.804 -21.838 1.00 0.00 H new ATOM 0 HA LEU A2075 22.752 -15.325 -20.704 1.00 0.00 H new ATOM 0 HB2 LEU A2075 20.607 -15.551 -19.523 1.00 0.00 H new ATOM 0 HB3 LEU A2075 20.023 -16.704 -20.707 1.00 0.00 H new ATOM 0 HG LEU A2075 21.678 -18.347 -19.959 1.00 0.00 H new ATOM 0 HD11 LEU A2075 22.957 -18.041 -17.874 1.00 0.00 H new ATOM 0 HD12 LEU A2075 23.471 -16.914 -19.152 1.00 0.00 H new ATOM 0 HD13 LEU A2075 22.443 -16.338 -17.819 1.00 0.00 H new ATOM 0 HD21 LEU A2075 20.648 -18.762 -17.694 1.00 0.00 H new ATOM 0 HD22 LEU A2075 20.032 -17.093 -17.694 1.00 0.00 H new ATOM 0 HD23 LEU A2075 19.426 -18.264 -18.889 1.00 0.00 H new ATOM 272 N LYS A2076 21.938 -17.372 -23.133 1.00 0.00 N ATOM 273 CA LYS A2076 22.393 -18.445 -24.048 1.00 0.00 C ATOM 274 C LYS A2076 23.616 -18.064 -24.926 1.00 0.00 C ATOM 275 O LYS A2076 23.675 -18.405 -26.110 1.00 0.00 O ATOM 276 CB LYS A2076 21.173 -18.944 -24.842 1.00 0.00 C ATOM 277 CG LYS A2076 20.272 -19.794 -23.925 1.00 0.00 C ATOM 278 CD LYS A2076 18.947 -20.094 -24.626 1.00 0.00 C ATOM 279 CE LYS A2076 18.016 -20.968 -23.769 1.00 0.00 C ATOM 280 NZ LYS A2076 18.416 -22.404 -23.788 1.00 0.00 N ATOM 0 H LYS A2076 21.061 -16.951 -23.439 1.00 0.00 H new ATOM 0 HA LYS A2076 22.792 -19.269 -23.456 1.00 0.00 H new ATOM 0 HB2 LYS A2076 20.612 -18.097 -25.236 1.00 0.00 H new ATOM 0 HB3 LYS A2076 21.500 -19.536 -25.697 1.00 0.00 H new ATOM 0 HG2 LYS A2076 20.776 -20.726 -23.668 1.00 0.00 H new ATOM 0 HG3 LYS A2076 20.087 -19.264 -22.991 1.00 0.00 H new ATOM 0 HD2 LYS A2076 18.444 -19.157 -24.864 1.00 0.00 H new ATOM 0 HD3 LYS A2076 19.145 -20.598 -25.572 1.00 0.00 H new ATOM 0 HE2 LYS A2076 18.023 -20.604 -22.742 1.00 0.00 H new ATOM 0 HE3 LYS A2076 16.993 -20.873 -24.134 1.00 0.00 H new ATOM 0 HZ1 LYS A2076 17.761 -22.955 -23.197 1.00 0.00 H new ATOM 0 HZ2 LYS A2076 18.385 -22.760 -24.765 1.00 0.00 H new ATOM 0 HZ3 LYS A2076 19.382 -22.500 -23.415 1.00 0.00 H new ATOM 294 N SER A2077 24.587 -17.369 -24.327 1.00 0.00 N ATOM 295 CA SER A2077 25.849 -16.874 -24.913 1.00 0.00 C ATOM 296 C SER A2077 26.983 -16.877 -23.859 1.00 0.00 C ATOM 297 O SER A2077 26.702 -17.060 -22.670 1.00 0.00 O ATOM 298 CB SER A2077 25.640 -15.437 -25.426 1.00 0.00 C ATOM 299 OG SER A2077 24.787 -15.417 -26.561 1.00 0.00 O ATOM 0 H SER A2077 24.511 -17.115 -23.342 1.00 0.00 H new ATOM 0 HA SER A2077 26.133 -17.532 -25.734 1.00 0.00 H new ATOM 0 HB2 SER A2077 25.210 -14.824 -24.634 1.00 0.00 H new ATOM 0 HB3 SER A2077 26.603 -14.996 -25.683 1.00 0.00 H new ATOM 0 HG SER A2077 24.669 -14.493 -26.866 1.00 0.00 H new ATOM 305 N PRO A2078 28.263 -16.680 -24.246 1.00 0.00 N ATOM 306 CA PRO A2078 29.403 -16.633 -23.319 1.00 0.00 C ATOM 307 C PRO A2078 29.262 -15.612 -22.176 1.00 0.00 C ATOM 308 O PRO A2078 28.653 -14.550 -22.336 1.00 0.00 O ATOM 309 CB PRO A2078 30.630 -16.291 -24.174 1.00 0.00 C ATOM 310 CG PRO A2078 30.235 -16.798 -25.554 1.00 0.00 C ATOM 311 CD PRO A2078 28.743 -16.498 -25.610 1.00 0.00 C ATOM 0 HA PRO A2078 29.479 -17.597 -22.816 1.00 0.00 H new ATOM 0 HB2 PRO A2078 30.833 -15.220 -24.180 1.00 0.00 H new ATOM 0 HB3 PRO A2078 31.530 -16.784 -23.805 1.00 0.00 H new ATOM 0 HG2 PRO A2078 30.781 -16.284 -26.345 1.00 0.00 H new ATOM 0 HG3 PRO A2078 30.438 -17.863 -25.667 1.00 0.00 H new ATOM 0 HD2 PRO A2078 28.559 -15.482 -25.960 1.00 0.00 H new ATOM 0 HD3 PRO A2078 28.232 -17.170 -26.300 1.00 0.00 H new ATOM 319 N SER A2079 29.880 -15.926 -21.034 1.00 0.00 N ATOM 320 CA SER A2079 29.886 -15.075 -19.829 1.00 0.00 C ATOM 321 C SER A2079 30.785 -13.842 -19.989 1.00 0.00 C ATOM 322 O SER A2079 31.969 -13.967 -20.315 1.00 0.00 O ATOM 323 CB SER A2079 30.360 -15.869 -18.606 1.00 0.00 C ATOM 324 OG SER A2079 29.437 -16.897 -18.276 1.00 0.00 O ATOM 0 H SER A2079 30.402 -16.794 -20.913 1.00 0.00 H new ATOM 0 HA SER A2079 28.859 -14.739 -19.687 1.00 0.00 H new ATOM 0 HB2 SER A2079 31.338 -16.305 -18.808 1.00 0.00 H new ATOM 0 HB3 SER A2079 30.480 -15.197 -17.756 1.00 0.00 H new ATOM 0 HG SER A2079 29.762 -17.390 -17.494 1.00 0.00 H new ATOM 330 N SER A2080 30.234 -12.649 -19.739 1.00 0.00 N ATOM 331 CA SER A2080 30.943 -11.359 -19.817 1.00 0.00 C ATOM 332 C SER A2080 30.171 -10.235 -19.102 1.00 0.00 C ATOM 333 O SER A2080 28.945 -10.331 -18.952 1.00 0.00 O ATOM 334 CB SER A2080 31.129 -10.966 -21.296 1.00 0.00 C ATOM 335 OG SER A2080 29.891 -10.636 -21.907 1.00 0.00 O ATOM 0 H SER A2080 29.256 -12.547 -19.469 1.00 0.00 H new ATOM 0 HA SER A2080 31.907 -11.482 -19.323 1.00 0.00 H new ATOM 0 HB2 SER A2080 31.808 -10.116 -21.365 1.00 0.00 H new ATOM 0 HB3 SER A2080 31.594 -11.790 -21.837 1.00 0.00 H new ATOM 0 HG SER A2080 29.213 -11.295 -21.649 1.00 0.00 H new ATOM 341 N PRO A2081 30.833 -9.132 -18.693 1.00 0.00 N ATOM 342 CA PRO A2081 30.136 -7.981 -18.117 1.00 0.00 C ATOM 343 C PRO A2081 29.169 -7.336 -19.131 1.00 0.00 C ATOM 344 O PRO A2081 28.175 -6.733 -18.728 1.00 0.00 O ATOM 345 CB PRO A2081 31.228 -7.028 -17.622 1.00 0.00 C ATOM 346 CG PRO A2081 32.460 -7.402 -18.444 1.00 0.00 C ATOM 347 CD PRO A2081 32.267 -8.882 -18.767 1.00 0.00 C ATOM 0 HA PRO A2081 29.494 -8.271 -17.286 1.00 0.00 H new ATOM 0 HB2 PRO A2081 30.947 -5.986 -17.778 1.00 0.00 H new ATOM 0 HB3 PRO A2081 31.410 -7.152 -16.554 1.00 0.00 H new ATOM 0 HG2 PRO A2081 32.529 -6.803 -19.352 1.00 0.00 H new ATOM 0 HG3 PRO A2081 33.379 -7.235 -17.882 1.00 0.00 H new ATOM 0 HD2 PRO A2081 32.652 -9.117 -19.759 1.00 0.00 H new ATOM 0 HD3 PRO A2081 32.808 -9.509 -18.058 1.00 0.00 H new ATOM 355 N GLN A2082 29.395 -7.507 -20.441 1.00 0.00 N ATOM 356 CA GLN A2082 28.491 -7.041 -21.503 1.00 0.00 C ATOM 357 C GLN A2082 27.181 -7.851 -21.494 1.00 0.00 C ATOM 358 O GLN A2082 26.097 -7.268 -21.587 1.00 0.00 O ATOM 359 CB GLN A2082 29.176 -7.136 -22.880 1.00 0.00 C ATOM 360 CG GLN A2082 30.282 -6.086 -23.102 1.00 0.00 C ATOM 361 CD GLN A2082 31.507 -6.267 -22.207 1.00 0.00 C ATOM 362 OE1 GLN A2082 32.020 -7.362 -22.012 1.00 0.00 O ATOM 363 NE2 GLN A2082 32.011 -5.211 -21.602 1.00 0.00 N ATOM 0 H GLN A2082 30.224 -7.981 -20.799 1.00 0.00 H new ATOM 0 HA GLN A2082 28.250 -5.995 -21.312 1.00 0.00 H new ATOM 0 HB2 GLN A2082 29.606 -8.131 -22.993 1.00 0.00 H new ATOM 0 HB3 GLN A2082 28.421 -7.024 -23.659 1.00 0.00 H new ATOM 0 HG2 GLN A2082 30.599 -6.123 -24.144 1.00 0.00 H new ATOM 0 HG3 GLN A2082 29.865 -5.094 -22.931 1.00 0.00 H new ATOM 0 HE21 GLN A2082 31.597 -4.291 -21.752 1.00 0.00 H new ATOM 0 HE22 GLN A2082 32.815 -5.313 -20.983 1.00 0.00 H new ATOM 372 N GLN A2083 27.254 -9.179 -21.319 1.00 0.00 N ATOM 373 CA GLN A2083 26.070 -10.039 -21.185 1.00 0.00 C ATOM 374 C GLN A2083 25.268 -9.631 -19.940 1.00 0.00 C ATOM 375 O GLN A2083 24.050 -9.452 -20.012 1.00 0.00 O ATOM 376 CB GLN A2083 26.501 -11.514 -21.099 1.00 0.00 C ATOM 377 CG GLN A2083 25.293 -12.461 -21.058 1.00 0.00 C ATOM 378 CD GLN A2083 25.713 -13.916 -20.872 1.00 0.00 C ATOM 379 OE1 GLN A2083 26.436 -14.275 -19.952 1.00 0.00 O ATOM 380 NE2 GLN A2083 25.226 -14.808 -21.701 1.00 0.00 N ATOM 0 H GLN A2083 28.137 -9.687 -21.266 1.00 0.00 H new ATOM 0 HA GLN A2083 25.433 -9.917 -22.061 1.00 0.00 H new ATOM 0 HB2 GLN A2083 27.127 -11.760 -21.957 1.00 0.00 H new ATOM 0 HB3 GLN A2083 27.110 -11.663 -20.207 1.00 0.00 H new ATOM 0 HG2 GLN A2083 24.630 -12.168 -20.244 1.00 0.00 H new ATOM 0 HG3 GLN A2083 24.724 -12.363 -21.983 1.00 0.00 H new ATOM 0 HE21 GLN A2083 24.623 -14.514 -22.469 1.00 0.00 H new ATOM 0 HE22 GLN A2083 25.450 -15.795 -21.577 1.00 0.00 H new ATOM 389 N GLN A2084 25.958 -9.426 -18.811 1.00 0.00 N ATOM 390 CA GLN A2084 25.342 -8.956 -17.569 1.00 0.00 C ATOM 391 C GLN A2084 24.651 -7.602 -17.782 1.00 0.00 C ATOM 392 O GLN A2084 23.511 -7.434 -17.352 1.00 0.00 O ATOM 393 CB GLN A2084 26.401 -8.890 -16.455 1.00 0.00 C ATOM 394 CG GLN A2084 25.821 -8.359 -15.133 1.00 0.00 C ATOM 395 CD GLN A2084 26.858 -8.322 -14.017 1.00 0.00 C ATOM 396 OE1 GLN A2084 27.571 -9.280 -13.764 1.00 0.00 O ATOM 397 NE2 GLN A2084 27.004 -7.218 -13.319 1.00 0.00 N ATOM 0 H GLN A2084 26.963 -9.583 -18.736 1.00 0.00 H new ATOM 0 HA GLN A2084 24.571 -9.662 -17.261 1.00 0.00 H new ATOM 0 HB2 GLN A2084 26.818 -9.884 -16.293 1.00 0.00 H new ATOM 0 HB3 GLN A2084 27.222 -8.248 -16.774 1.00 0.00 H new ATOM 0 HG2 GLN A2084 25.425 -7.356 -15.290 1.00 0.00 H new ATOM 0 HG3 GLN A2084 24.985 -8.988 -14.828 1.00 0.00 H new ATOM 0 HE21 GLN A2084 26.417 -6.408 -13.517 1.00 0.00 H new ATOM 0 HE22 GLN A2084 27.705 -7.171 -12.579 1.00 0.00 H new ATOM 406 N GLN A2085 25.301 -6.649 -18.463 1.00 0.00 N ATOM 407 CA GLN A2085 24.710 -5.341 -18.750 1.00 0.00 C ATOM 408 C GLN A2085 23.414 -5.474 -19.559 1.00 0.00 C ATOM 409 O GLN A2085 22.441 -4.808 -19.221 1.00 0.00 O ATOM 410 CB GLN A2085 25.723 -4.418 -19.448 1.00 0.00 C ATOM 411 CG GLN A2085 25.201 -2.976 -19.592 1.00 0.00 C ATOM 412 CD GLN A2085 24.941 -2.302 -18.242 1.00 0.00 C ATOM 413 OE1 GLN A2085 25.836 -2.117 -17.427 1.00 0.00 O ATOM 414 NE2 GLN A2085 23.718 -1.916 -17.943 1.00 0.00 N ATOM 0 H GLN A2085 26.247 -6.765 -18.828 1.00 0.00 H new ATOM 0 HA GLN A2085 24.447 -4.880 -17.798 1.00 0.00 H new ATOM 0 HB2 GLN A2085 26.654 -4.410 -18.881 1.00 0.00 H new ATOM 0 HB3 GLN A2085 25.955 -4.818 -20.435 1.00 0.00 H new ATOM 0 HG2 GLN A2085 25.926 -2.386 -20.154 1.00 0.00 H new ATOM 0 HG3 GLN A2085 24.278 -2.985 -20.172 1.00 0.00 H new ATOM 0 HE21 GLN A2085 22.960 -2.062 -18.610 1.00 0.00 H new ATOM 0 HE22 GLN A2085 23.529 -1.471 -17.045 1.00 0.00 H new ATOM 423 N GLN A2086 23.349 -6.342 -20.579 1.00 0.00 N ATOM 424 CA GLN A2086 22.098 -6.547 -21.322 1.00 0.00 C ATOM 425 C GLN A2086 20.995 -7.136 -20.434 1.00 0.00 C ATOM 426 O GLN A2086 19.866 -6.651 -20.484 1.00 0.00 O ATOM 427 CB GLN A2086 22.308 -7.401 -22.585 1.00 0.00 C ATOM 428 CG GLN A2086 22.489 -6.545 -23.847 1.00 0.00 C ATOM 429 CD GLN A2086 21.265 -5.675 -24.142 1.00 0.00 C ATOM 430 OE1 GLN A2086 21.238 -4.479 -23.877 1.00 0.00 O ATOM 431 NE2 GLN A2086 20.195 -6.241 -24.661 1.00 0.00 N ATOM 0 H GLN A2086 24.135 -6.905 -20.904 1.00 0.00 H new ATOM 0 HA GLN A2086 21.767 -5.561 -21.648 1.00 0.00 H new ATOM 0 HB2 GLN A2086 23.185 -8.035 -22.450 1.00 0.00 H new ATOM 0 HB3 GLN A2086 21.453 -8.064 -22.718 1.00 0.00 H new ATOM 0 HG2 GLN A2086 23.365 -5.907 -23.728 1.00 0.00 H new ATOM 0 HG3 GLN A2086 22.683 -7.196 -24.700 1.00 0.00 H new ATOM 0 HE21 GLN A2086 20.203 -7.236 -24.887 1.00 0.00 H new ATOM 0 HE22 GLN A2086 19.358 -5.685 -24.837 1.00 0.00 H new ATOM 440 N VAL A2087 21.297 -8.120 -19.580 1.00 0.00 N ATOM 441 CA VAL A2087 20.298 -8.658 -18.636 1.00 0.00 C ATOM 442 C VAL A2087 19.833 -7.561 -17.668 1.00 0.00 C ATOM 443 O VAL A2087 18.633 -7.414 -17.449 1.00 0.00 O ATOM 444 CB VAL A2087 20.815 -9.910 -17.907 1.00 0.00 C ATOM 445 CG1 VAL A2087 19.859 -10.372 -16.799 1.00 0.00 C ATOM 446 CG2 VAL A2087 20.962 -11.059 -18.917 1.00 0.00 C ATOM 0 H VAL A2087 22.215 -8.560 -19.519 1.00 0.00 H new ATOM 0 HA VAL A2087 19.428 -8.983 -19.206 1.00 0.00 H new ATOM 0 HB VAL A2087 21.772 -9.650 -17.454 1.00 0.00 H new ATOM 0 HG11 VAL A2087 20.267 -11.259 -16.313 1.00 0.00 H new ATOM 0 HG12 VAL A2087 19.743 -9.576 -16.063 1.00 0.00 H new ATOM 0 HG13 VAL A2087 18.888 -10.610 -17.232 1.00 0.00 H new ATOM 0 HG21 VAL A2087 21.328 -11.949 -18.405 1.00 0.00 H new ATOM 0 HG22 VAL A2087 19.993 -11.273 -19.368 1.00 0.00 H new ATOM 0 HG23 VAL A2087 21.669 -10.771 -19.695 1.00 0.00 H new ATOM 456 N LEU A2088 20.744 -6.731 -17.146 1.00 0.00 N ATOM 457 CA LEU A2088 20.383 -5.588 -16.300 1.00 0.00 C ATOM 458 C LEU A2088 19.529 -4.566 -17.072 1.00 0.00 C ATOM 459 O LEU A2088 18.559 -4.059 -16.515 1.00 0.00 O ATOM 460 CB LEU A2088 21.644 -4.942 -15.696 1.00 0.00 C ATOM 461 CG LEU A2088 22.331 -5.785 -14.603 1.00 0.00 C ATOM 462 CD1 LEU A2088 23.638 -5.112 -14.182 1.00 0.00 C ATOM 463 CD2 LEU A2088 21.466 -5.944 -13.348 1.00 0.00 C ATOM 0 H LEU A2088 21.748 -6.832 -17.297 1.00 0.00 H new ATOM 0 HA LEU A2088 19.770 -5.953 -15.476 1.00 0.00 H new ATOM 0 HB2 LEU A2088 22.360 -4.754 -16.496 1.00 0.00 H new ATOM 0 HB3 LEU A2088 21.375 -3.973 -15.275 1.00 0.00 H new ATOM 0 HG LEU A2088 22.504 -6.771 -15.033 1.00 0.00 H new ATOM 0 HD11 LEU A2088 24.122 -5.709 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A2088 24.299 -5.030 -15.045 1.00 0.00 H new ATOM 0 HD13 LEU A2088 23.425 -4.117 -13.791 1.00 0.00 H new ATOM 0 HD21 LEU A2088 21.999 -6.546 -12.612 1.00 0.00 H new ATOM 0 HD22 LEU A2088 21.252 -4.962 -12.927 1.00 0.00 H new ATOM 0 HD23 LEU A2088 20.530 -6.437 -13.611 1.00 0.00 H new ATOM 475 N ASN A2089 19.821 -4.298 -18.352 1.00 0.00 N ATOM 476 CA ASN A2089 19.016 -3.404 -19.198 1.00 0.00 C ATOM 477 C ASN A2089 17.577 -3.942 -19.337 1.00 0.00 C ATOM 478 O ASN A2089 16.611 -3.190 -19.208 1.00 0.00 O ATOM 479 CB ASN A2089 19.659 -3.234 -20.593 1.00 0.00 C ATOM 480 CG ASN A2089 20.994 -2.506 -20.619 1.00 0.00 C ATOM 481 OD1 ASN A2089 21.406 -1.832 -19.683 1.00 0.00 O ATOM 482 ND2 ASN A2089 21.722 -2.611 -21.708 1.00 0.00 N ATOM 0 H ASN A2089 20.627 -4.697 -18.833 1.00 0.00 H new ATOM 0 HA ASN A2089 18.981 -2.427 -18.716 1.00 0.00 H new ATOM 0 HB2 ASN A2089 19.796 -4.222 -21.033 1.00 0.00 H new ATOM 0 HB3 ASN A2089 18.960 -2.695 -21.232 1.00 0.00 H new ATOM 0 HD21 ASN A2089 22.621 -2.134 -21.768 1.00 0.00 H new ATOM 0 HD22 ASN A2089 21.388 -3.170 -22.493 1.00 0.00 H new ATOM 489 N ILE A2090 17.437 -5.255 -19.566 1.00 0.00 N ATOM 490 CA ILE A2090 16.154 -5.969 -19.685 1.00 0.00 C ATOM 491 C ILE A2090 15.370 -5.916 -18.360 1.00 0.00 C ATOM 492 O ILE A2090 14.160 -5.681 -18.375 1.00 0.00 O ATOM 493 CB ILE A2090 16.423 -7.419 -20.169 1.00 0.00 C ATOM 494 CG1 ILE A2090 16.914 -7.403 -21.637 1.00 0.00 C ATOM 495 CG2 ILE A2090 15.185 -8.329 -20.045 1.00 0.00 C ATOM 496 CD1 ILE A2090 17.675 -8.669 -22.056 1.00 0.00 C ATOM 0 H ILE A2090 18.241 -5.873 -19.678 1.00 0.00 H new ATOM 0 HA ILE A2090 15.523 -5.480 -20.427 1.00 0.00 H new ATOM 0 HB ILE A2090 17.194 -7.833 -19.519 1.00 0.00 H new ATOM 0 HG12 ILE A2090 16.055 -7.274 -22.295 1.00 0.00 H new ATOM 0 HG13 ILE A2090 17.561 -6.538 -21.783 1.00 0.00 H new ATOM 0 HG21 ILE A2090 15.432 -9.330 -20.398 1.00 0.00 H new ATOM 0 HG22 ILE A2090 14.873 -8.379 -19.002 1.00 0.00 H new ATOM 0 HG23 ILE A2090 14.373 -7.922 -20.647 1.00 0.00 H new ATOM 0 HD11 ILE A2090 17.985 -8.579 -23.097 1.00 0.00 H new ATOM 0 HD12 ILE A2090 18.555 -8.790 -21.425 1.00 0.00 H new ATOM 0 HD13 ILE A2090 17.026 -9.537 -21.944 1.00 0.00 H new ATOM 508 N LEU A2091 16.044 -6.099 -17.218 1.00 0.00 N ATOM 509 CA LEU A2091 15.438 -6.044 -15.880 1.00 0.00 C ATOM 510 C LEU A2091 15.057 -4.613 -15.446 1.00 0.00 C ATOM 511 O LEU A2091 14.025 -4.419 -14.801 1.00 0.00 O ATOM 512 CB LEU A2091 16.401 -6.681 -14.860 1.00 0.00 C ATOM 513 CG LEU A2091 16.584 -8.207 -14.996 1.00 0.00 C ATOM 514 CD1 LEU A2091 17.724 -8.665 -14.084 1.00 0.00 C ATOM 515 CD2 LEU A2091 15.329 -8.992 -14.611 1.00 0.00 C ATOM 0 H LEU A2091 17.045 -6.293 -17.197 1.00 0.00 H new ATOM 0 HA LEU A2091 14.505 -6.606 -15.919 1.00 0.00 H new ATOM 0 HB2 LEU A2091 17.376 -6.204 -14.957 1.00 0.00 H new ATOM 0 HB3 LEU A2091 16.038 -6.462 -13.856 1.00 0.00 H new ATOM 0 HG LEU A2091 16.802 -8.405 -16.046 1.00 0.00 H new ATOM 0 HD11 LEU A2091 17.855 -9.743 -14.179 1.00 0.00 H new ATOM 0 HD12 LEU A2091 18.646 -8.161 -14.373 1.00 0.00 H new ATOM 0 HD13 LEU A2091 17.484 -8.418 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A2091 15.518 -10.059 -14.727 1.00 0.00 H new ATOM 0 HD22 LEU A2091 15.071 -8.779 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A2091 14.503 -8.697 -15.258 1.00 0.00 H new ATOM 527 N LYS A2092 15.848 -3.591 -15.807 1.00 0.00 N ATOM 528 CA LYS A2092 15.595 -2.170 -15.476 1.00 0.00 C ATOM 529 C LYS A2092 14.249 -1.640 -15.990 1.00 0.00 C ATOM 530 O LYS A2092 13.707 -0.709 -15.398 1.00 0.00 O ATOM 531 CB LYS A2092 16.762 -1.293 -15.974 1.00 0.00 C ATOM 532 CG LYS A2092 17.985 -1.325 -15.036 1.00 0.00 C ATOM 533 CD LYS A2092 18.054 -0.143 -14.052 1.00 0.00 C ATOM 534 CE LYS A2092 16.831 -0.036 -13.129 1.00 0.00 C ATOM 535 NZ LYS A2092 16.972 1.100 -12.176 1.00 0.00 N ATOM 0 H LYS A2092 16.701 -3.727 -16.349 1.00 0.00 H new ATOM 0 HA LYS A2092 15.532 -2.114 -14.389 1.00 0.00 H new ATOM 0 HB2 LYS A2092 17.064 -1.629 -16.966 1.00 0.00 H new ATOM 0 HB3 LYS A2092 16.417 -0.264 -16.077 1.00 0.00 H new ATOM 0 HG2 LYS A2092 17.970 -2.256 -14.469 1.00 0.00 H new ATOM 0 HG3 LYS A2092 18.892 -1.334 -15.640 1.00 0.00 H new ATOM 0 HD2 LYS A2092 18.951 -0.242 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A2092 18.154 0.784 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A2092 15.931 0.099 -13.728 1.00 0.00 H new ATOM 0 HE3 LYS A2092 16.708 -0.966 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A2092 16.131 1.147 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A2092 17.819 0.958 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A2092 17.065 1.989 -12.707 1.00 0.00 H new ATOM 549 N SER A2093 13.689 -2.240 -17.045 1.00 0.00 N ATOM 550 CA SER A2093 12.364 -1.896 -17.595 1.00 0.00 C ATOM 551 C SER A2093 11.192 -2.488 -16.782 1.00 0.00 C ATOM 552 O SER A2093 10.032 -2.194 -17.064 1.00 0.00 O ATOM 553 CB SER A2093 12.263 -2.391 -19.046 1.00 0.00 C ATOM 554 OG SER A2093 13.279 -1.817 -19.855 1.00 0.00 O ATOM 0 H SER A2093 14.149 -2.994 -17.554 1.00 0.00 H new ATOM 0 HA SER A2093 12.279 -0.811 -17.543 1.00 0.00 H new ATOM 0 HB2 SER A2093 12.346 -3.478 -19.069 1.00 0.00 H new ATOM 0 HB3 SER A2093 11.284 -2.138 -19.452 1.00 0.00 H new ATOM 0 HG SER A2093 13.193 -2.150 -20.773 1.00 0.00 H new ATOM 560 N ASN A2094 11.483 -3.336 -15.787 1.00 0.00 N ATOM 561 CA ASN A2094 10.541 -4.046 -14.908 1.00 0.00 C ATOM 562 C ASN A2094 11.173 -4.205 -13.497 1.00 0.00 C ATOM 563 O ASN A2094 11.458 -5.320 -13.054 1.00 0.00 O ATOM 564 CB ASN A2094 10.113 -5.377 -15.581 1.00 0.00 C ATOM 565 CG ASN A2094 11.231 -6.094 -16.326 1.00 0.00 C ATOM 566 OD1 ASN A2094 11.971 -6.901 -15.786 1.00 0.00 O ATOM 567 ND2 ASN A2094 11.363 -5.847 -17.610 1.00 0.00 N ATOM 0 H ASN A2094 12.451 -3.561 -15.558 1.00 0.00 H new ATOM 0 HA ASN A2094 9.623 -3.477 -14.761 1.00 0.00 H new ATOM 0 HB2 ASN A2094 9.716 -6.045 -14.817 1.00 0.00 H new ATOM 0 HB3 ASN A2094 9.301 -5.172 -16.279 1.00 0.00 H new ATOM 0 HD21 ASN A2094 12.081 -6.329 -18.151 1.00 0.00 H new ATOM 0 HD22 ASN A2094 10.747 -5.174 -18.066 1.00 0.00 H new ATOM 574 N PRO A2095 11.424 -3.089 -12.772 1.00 0.00 N ATOM 575 CA PRO A2095 12.126 -3.101 -11.483 1.00 0.00 C ATOM 576 C PRO A2095 11.439 -3.886 -10.360 1.00 0.00 C ATOM 577 O PRO A2095 12.126 -4.333 -9.441 1.00 0.00 O ATOM 578 CB PRO A2095 12.334 -1.629 -11.106 1.00 0.00 C ATOM 579 CG PRO A2095 11.221 -0.902 -11.856 1.00 0.00 C ATOM 580 CD PRO A2095 11.100 -1.717 -13.142 1.00 0.00 C ATOM 0 HA PRO A2095 13.065 -3.642 -11.602 1.00 0.00 H new ATOM 0 HB2 PRO A2095 12.257 -1.477 -10.029 1.00 0.00 H new ATOM 0 HB3 PRO A2095 13.319 -1.274 -11.409 1.00 0.00 H new ATOM 0 HG2 PRO A2095 10.289 -0.895 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A2095 11.480 0.138 -12.057 1.00 0.00 H new ATOM 0 HD2 PRO A2095 10.093 -1.650 -13.554 1.00 0.00 H new ATOM 0 HD3 PRO A2095 11.783 -1.346 -13.906 1.00 0.00 H new ATOM 588 N GLN A2096 10.116 -4.082 -10.432 1.00 0.00 N ATOM 589 CA GLN A2096 9.310 -4.806 -9.433 1.00 0.00 C ATOM 590 C GLN A2096 9.938 -6.139 -8.984 1.00 0.00 C ATOM 591 O GLN A2096 10.014 -6.428 -7.788 1.00 0.00 O ATOM 592 CB GLN A2096 7.901 -5.076 -9.991 1.00 0.00 C ATOM 593 CG GLN A2096 6.968 -3.854 -10.043 1.00 0.00 C ATOM 594 CD GLN A2096 7.411 -2.739 -10.985 1.00 0.00 C ATOM 595 OE1 GLN A2096 7.595 -3.001 -12.260 1.00 0.00 O flip ATOM 596 NE2 GLN A2096 7.607 -1.602 -10.592 1.00 0.00 N flip ATOM 0 H GLN A2096 9.557 -3.731 -11.210 1.00 0.00 H new ATOM 0 HA GLN A2096 9.264 -4.162 -8.555 1.00 0.00 H new ATOM 0 HB2 GLN A2096 7.999 -5.481 -10.998 1.00 0.00 H new ATOM 0 HB3 GLN A2096 7.429 -5.847 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A2096 5.975 -4.188 -10.343 1.00 0.00 H new ATOM 0 HG3 GLN A2096 6.877 -3.444 -9.037 1.00 0.00 H new ATOM 0 HE21 GLN A2096 7.471 -1.372 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A2096 7.906 -0.880 -11.248 1.00 0.00 H new ATOM 605 N LEU A2097 10.379 -6.950 -9.952 1.00 0.00 N ATOM 606 CA LEU A2097 10.971 -8.270 -9.715 1.00 0.00 C ATOM 607 C LEU A2097 12.475 -8.282 -9.377 1.00 0.00 C ATOM 608 O LEU A2097 12.897 -9.100 -8.555 1.00 0.00 O ATOM 609 CB LEU A2097 10.544 -9.227 -10.854 1.00 0.00 C ATOM 610 CG LEU A2097 10.739 -8.780 -12.324 1.00 0.00 C ATOM 611 CD1 LEU A2097 12.200 -8.750 -12.770 1.00 0.00 C ATOM 612 CD2 LEU A2097 9.996 -9.734 -13.262 1.00 0.00 C ATOM 0 H LEU A2097 10.333 -6.702 -10.940 1.00 0.00 H new ATOM 0 HA LEU A2097 10.562 -8.649 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A2097 11.088 -10.162 -10.720 1.00 0.00 H new ATOM 0 HB3 LEU A2097 9.486 -9.451 -10.716 1.00 0.00 H new ATOM 0 HG LEU A2097 10.347 -7.764 -12.374 1.00 0.00 H new ATOM 0 HD11 LEU A2097 12.256 -8.428 -13.810 1.00 0.00 H new ATOM 0 HD12 LEU A2097 12.757 -8.054 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A2097 12.630 -9.747 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A2097 10.138 -9.413 -14.294 1.00 0.00 H new ATOM 0 HD22 LEU A2097 10.388 -10.744 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU A2097 8.933 -9.725 -13.022 1.00 0.00 H new ATOM 624 N MET A2098 13.287 -7.382 -9.949 1.00 0.00 N ATOM 625 CA MET A2098 14.732 -7.339 -9.661 1.00 0.00 C ATOM 626 C MET A2098 15.068 -6.628 -8.342 1.00 0.00 C ATOM 627 O MET A2098 15.996 -7.042 -7.645 1.00 0.00 O ATOM 628 CB MET A2098 15.532 -6.741 -10.833 1.00 0.00 C ATOM 629 CG MET A2098 15.145 -5.308 -11.231 1.00 0.00 C ATOM 630 SD MET A2098 16.494 -4.300 -11.912 1.00 0.00 S ATOM 631 CE MET A2098 17.464 -4.007 -10.403 1.00 0.00 C ATOM 0 H MET A2098 12.971 -6.675 -10.613 1.00 0.00 H new ATOM 0 HA MET A2098 15.038 -8.378 -9.538 1.00 0.00 H new ATOM 0 HB2 MET A2098 16.590 -6.755 -10.573 1.00 0.00 H new ATOM 0 HB3 MET A2098 15.409 -7.387 -11.702 1.00 0.00 H new ATOM 0 HG2 MET A2098 14.343 -5.357 -11.967 1.00 0.00 H new ATOM 0 HG3 MET A2098 14.742 -4.801 -10.354 1.00 0.00 H new ATOM 0 HE1 MET A2098 18.196 -3.221 -10.588 1.00 0.00 H new ATOM 0 HE2 MET A2098 16.798 -3.700 -9.596 1.00 0.00 H new ATOM 0 HE3 MET A2098 17.980 -4.924 -10.118 1.00 0.00 H new ATOM 641 N ALA A2099 14.312 -5.588 -7.969 1.00 0.00 N ATOM 642 CA ALA A2099 14.535 -4.851 -6.726 1.00 0.00 C ATOM 643 C ALA A2099 14.271 -5.726 -5.489 1.00 0.00 C ATOM 644 O ALA A2099 15.000 -5.632 -4.501 1.00 0.00 O ATOM 645 CB ALA A2099 13.685 -3.580 -6.724 1.00 0.00 C ATOM 0 H ALA A2099 13.530 -5.237 -8.522 1.00 0.00 H new ATOM 0 HA ALA A2099 15.585 -4.563 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A2099 13.852 -3.032 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A2099 13.965 -2.954 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A2099 12.631 -3.847 -6.802 1.00 0.00 H new ATOM 651 N ALA A2100 13.280 -6.624 -5.547 1.00 0.00 N ATOM 652 CA ALA A2100 13.030 -7.558 -4.451 1.00 0.00 C ATOM 653 C ALA A2100 14.171 -8.582 -4.311 1.00 0.00 C ATOM 654 O ALA A2100 14.594 -8.885 -3.194 1.00 0.00 O ATOM 655 CB ALA A2100 11.703 -8.264 -4.697 1.00 0.00 C ATOM 0 H ALA A2100 12.643 -6.721 -6.338 1.00 0.00 H new ATOM 0 HA ALA A2100 12.983 -7.000 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A2100 11.507 -8.964 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A2100 10.902 -7.527 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A2100 11.750 -8.808 -5.641 1.00 0.00 H new ATOM 661 N PHE A2101 14.690 -9.096 -5.436 1.00 0.00 N ATOM 662 CA PHE A2101 15.799 -10.055 -5.429 1.00 0.00 C ATOM 663 C PHE A2101 17.074 -9.449 -4.831 1.00 0.00 C ATOM 664 O PHE A2101 17.634 -10.023 -3.896 1.00 0.00 O ATOM 665 CB PHE A2101 16.056 -10.577 -6.852 1.00 0.00 C ATOM 666 CG PHE A2101 17.299 -11.445 -6.937 1.00 0.00 C ATOM 667 CD1 PHE A2101 17.275 -12.767 -6.450 1.00 0.00 C ATOM 668 CD2 PHE A2101 18.502 -10.906 -7.435 1.00 0.00 C ATOM 669 CE1 PHE A2101 18.450 -13.541 -6.451 1.00 0.00 C ATOM 670 CE2 PHE A2101 19.671 -11.685 -7.445 1.00 0.00 C ATOM 671 CZ PHE A2101 19.650 -12.997 -6.943 1.00 0.00 C ATOM 0 H PHE A2101 14.354 -8.859 -6.369 1.00 0.00 H new ATOM 0 HA PHE A2101 15.513 -10.892 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A2101 15.192 -11.151 -7.186 1.00 0.00 H new ATOM 0 HB3 PHE A2101 16.160 -9.732 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A2101 16.353 -13.187 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A2101 18.525 -9.893 -7.809 1.00 0.00 H new ATOM 0 HE1 PHE A2101 18.430 -14.553 -6.074 1.00 0.00 H new ATOM 0 HE2 PHE A2101 20.588 -11.274 -7.840 1.00 0.00 H new ATOM 0 HZ PHE A2101 20.554 -13.587 -6.935 1.00 0.00 H new ATOM 681 N ILE A2102 17.533 -8.287 -5.322 1.00 0.00 N ATOM 682 CA ILE A2102 18.764 -7.656 -4.808 1.00 0.00 C ATOM 683 C ILE A2102 18.671 -7.364 -3.306 1.00 0.00 C ATOM 684 O ILE A2102 19.604 -7.673 -2.564 1.00 0.00 O ATOM 685 CB ILE A2102 19.176 -6.433 -5.664 1.00 0.00 C ATOM 686 CG1 ILE A2102 20.662 -6.046 -5.465 1.00 0.00 C ATOM 687 CG2 ILE A2102 18.234 -5.226 -5.516 1.00 0.00 C ATOM 688 CD1 ILE A2102 21.011 -5.161 -4.257 1.00 0.00 C ATOM 0 H ILE A2102 17.075 -7.766 -6.070 1.00 0.00 H new ATOM 0 HA ILE A2102 19.579 -8.372 -4.910 1.00 0.00 H new ATOM 0 HB ILE A2102 19.068 -6.759 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A2102 21.241 -6.966 -5.386 1.00 0.00 H new ATOM 0 HG13 ILE A2102 20.999 -5.533 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A2102 18.588 -4.409 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A2102 17.227 -5.510 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A2102 18.219 -4.902 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A2102 22.084 -4.971 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A2102 20.475 -4.215 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A2102 20.721 -5.670 -3.338 1.00 0.00 H new ATOM 700 N LYS A2103 17.532 -6.843 -2.829 1.00 0.00 N ATOM 701 CA LYS A2103 17.299 -6.541 -1.404 1.00 0.00 C ATOM 702 C LYS A2103 17.326 -7.775 -0.482 1.00 0.00 C ATOM 703 O LYS A2103 17.503 -7.615 0.726 1.00 0.00 O ATOM 704 CB LYS A2103 16.028 -5.686 -1.254 1.00 0.00 C ATOM 705 CG LYS A2103 16.289 -4.264 -1.789 1.00 0.00 C ATOM 706 CD LYS A2103 15.101 -3.301 -1.664 1.00 0.00 C ATOM 707 CE LYS A2103 14.805 -2.951 -0.199 1.00 0.00 C ATOM 708 NZ LYS A2103 14.010 -1.700 -0.088 1.00 0.00 N ATOM 0 H LYS A2103 16.736 -6.616 -3.425 1.00 0.00 H new ATOM 0 HA LYS A2103 18.147 -5.954 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A2103 15.204 -6.144 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A2103 15.730 -5.641 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A2103 17.140 -3.841 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A2103 16.574 -4.333 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A2103 15.313 -2.388 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A2103 14.218 -3.752 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A2103 14.262 -3.771 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A2103 15.742 -2.837 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A2103 13.828 -1.492 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A2103 14.540 -0.913 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A2103 13.105 -1.818 -0.587 1.00 0.00 H new ATOM 722 N GLN A2104 17.247 -8.990 -1.037 1.00 0.00 N ATOM 723 CA GLN A2104 17.427 -10.254 -0.305 1.00 0.00 C ATOM 724 C GLN A2104 18.861 -10.790 -0.504 1.00 0.00 C ATOM 725 O GLN A2104 19.501 -11.219 0.458 1.00 0.00 O ATOM 726 CB GLN A2104 16.375 -11.286 -0.759 1.00 0.00 C ATOM 727 CG GLN A2104 14.920 -10.906 -0.423 1.00 0.00 C ATOM 728 CD GLN A2104 14.571 -11.043 1.061 1.00 0.00 C ATOM 729 OE1 GLN A2104 15.124 -10.388 1.936 1.00 0.00 O ATOM 730 NE2 GLN A2104 13.633 -11.898 1.417 1.00 0.00 N ATOM 0 H GLN A2104 17.052 -9.127 -2.029 1.00 0.00 H new ATOM 0 HA GLN A2104 17.283 -10.072 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A2104 16.461 -11.424 -1.837 1.00 0.00 H new ATOM 0 HB3 GLN A2104 16.603 -12.246 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A2104 14.742 -9.877 -0.735 1.00 0.00 H new ATOM 0 HG3 GLN A2104 14.247 -11.536 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A2104 13.156 -12.456 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A2104 13.384 -12.001 2.401 1.00 0.00 H new ATOM 739 N ARG A2105 19.401 -10.716 -1.733 1.00 0.00 N ATOM 740 CA ARG A2105 20.773 -11.121 -2.116 1.00 0.00 C ATOM 741 C ARG A2105 21.841 -10.369 -1.312 1.00 0.00 C ATOM 742 O ARG A2105 22.813 -10.969 -0.851 1.00 0.00 O ATOM 743 CB ARG A2105 20.907 -10.894 -3.639 1.00 0.00 C ATOM 744 CG ARG A2105 22.037 -11.633 -4.374 1.00 0.00 C ATOM 745 CD ARG A2105 23.446 -11.048 -4.205 1.00 0.00 C ATOM 746 NE ARG A2105 24.327 -11.533 -5.288 1.00 0.00 N ATOM 747 CZ ARG A2105 25.644 -11.533 -5.339 1.00 0.00 C ATOM 748 NH1 ARG A2105 26.386 -11.150 -4.341 1.00 0.00 N ATOM 749 NH2 ARG A2105 26.247 -11.922 -6.420 1.00 0.00 N ATOM 0 H ARG A2105 18.871 -10.356 -2.527 1.00 0.00 H new ATOM 0 HA ARG A2105 20.939 -12.173 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A2105 19.963 -11.176 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A2105 21.039 -9.825 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A2105 22.051 -12.667 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A2105 21.799 -11.654 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A2105 23.401 -9.959 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A2105 23.854 -11.336 -3.236 1.00 0.00 H new ATOM 0 HE ARG A2105 23.853 -11.919 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A2105 25.951 -10.833 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A2105 27.402 -11.167 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG A2105 25.702 -12.226 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A2105 27.266 -11.923 -6.463 1.00 0.00 H new ATOM 763 N THR A2106 21.649 -9.064 -1.111 1.00 0.00 N ATOM 764 CA THR A2106 22.557 -8.177 -0.357 1.00 0.00 C ATOM 765 C THR A2106 22.795 -8.618 1.097 1.00 0.00 C ATOM 766 O THR A2106 23.887 -8.419 1.630 1.00 0.00 O ATOM 767 CB THR A2106 22.077 -6.716 -0.440 1.00 0.00 C ATOM 768 OG1 THR A2106 23.106 -5.844 -0.038 1.00 0.00 O ATOM 769 CG2 THR A2106 20.844 -6.412 0.413 1.00 0.00 C ATOM 0 H THR A2106 20.833 -8.573 -1.477 1.00 0.00 H new ATOM 0 HA THR A2106 23.532 -8.254 -0.838 1.00 0.00 H new ATOM 0 HB THR A2106 21.802 -6.564 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A2106 22.791 -4.918 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A2106 20.572 -5.363 0.298 1.00 0.00 H new ATOM 0 HG22 THR A2106 20.014 -7.040 0.089 1.00 0.00 H new ATOM 0 HG23 THR A2106 21.067 -6.616 1.460 1.00 0.00 H new ATOM 777 N ALA A2107 21.819 -9.278 1.741 1.00 0.00 N ATOM 778 CA ALA A2107 21.953 -9.776 3.117 1.00 0.00 C ATOM 779 C ALA A2107 23.063 -10.838 3.268 1.00 0.00 C ATOM 780 O ALA A2107 23.741 -10.886 4.299 1.00 0.00 O ATOM 781 CB ALA A2107 20.596 -10.319 3.582 1.00 0.00 C ATOM 0 H ALA A2107 20.913 -9.481 1.320 1.00 0.00 H new ATOM 0 HA ALA A2107 22.257 -8.943 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A2107 20.684 -10.692 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A2107 19.854 -9.521 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A2107 20.284 -11.131 2.925 1.00 0.00 H new ATOM 787 N LYS A2108 23.283 -11.665 2.232 1.00 0.00 N ATOM 788 CA LYS A2108 24.345 -12.692 2.191 1.00 0.00 C ATOM 789 C LYS A2108 25.662 -12.142 1.613 1.00 0.00 C ATOM 790 O LYS A2108 26.728 -12.709 1.845 1.00 0.00 O ATOM 791 CB LYS A2108 23.822 -13.914 1.406 1.00 0.00 C ATOM 792 CG LYS A2108 24.685 -15.188 1.514 1.00 0.00 C ATOM 793 CD LYS A2108 24.808 -15.725 2.954 1.00 0.00 C ATOM 794 CE LYS A2108 25.568 -17.058 3.027 1.00 0.00 C ATOM 795 NZ LYS A2108 27.015 -16.902 2.714 1.00 0.00 N ATOM 0 H LYS A2108 22.719 -11.640 1.383 1.00 0.00 H new ATOM 0 HA LYS A2108 24.585 -13.001 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A2108 22.816 -14.146 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A2108 23.738 -13.640 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A2108 24.255 -15.964 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A2108 25.682 -14.976 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A2108 25.319 -14.986 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A2108 23.811 -15.856 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A2108 25.458 -17.482 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A2108 25.122 -17.767 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A2108 27.485 -17.827 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A2108 27.123 -16.522 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A2108 27.449 -16.247 3.395 1.00 0.00 H new ATOM 1019 N THR B 18 10.803 -22.880 -12.744 1.00 0.00 N ATOM 1020 CA THR B 18 12.003 -22.108 -13.127 1.00 0.00 C ATOM 1021 C THR B 18 11.910 -20.643 -12.665 1.00 0.00 C ATOM 1022 O THR B 18 10.979 -20.269 -11.944 1.00 0.00 O ATOM 1023 CB THR B 18 12.198 -22.150 -14.661 1.00 0.00 C ATOM 1024 OG1 THR B 18 11.222 -21.363 -15.316 1.00 0.00 O ATOM 1025 CG2 THR B 18 12.163 -23.551 -15.275 1.00 0.00 C ATOM 0 HA THR B 18 12.858 -22.569 -12.632 1.00 0.00 H new ATOM 0 HB THR B 18 13.202 -21.753 -14.813 1.00 0.00 H new ATOM 0 HG1 THR B 18 11.366 -21.403 -16.285 1.00 0.00 H new ATOM 0 HG21 THR B 18 12.308 -23.480 -16.353 1.00 0.00 H new ATOM 0 HG22 THR B 18 12.957 -24.158 -14.841 1.00 0.00 H new ATOM 0 HG23 THR B 18 11.198 -24.015 -15.069 1.00 0.00 H new ATOM 1033 N PHE B 19 12.851 -19.793 -13.101 1.00 0.00 N ATOM 1034 CA PHE B 19 12.897 -18.348 -12.826 1.00 0.00 C ATOM 1035 C PHE B 19 11.545 -17.632 -13.010 1.00 0.00 C ATOM 1036 O PHE B 19 11.224 -16.731 -12.236 1.00 0.00 O ATOM 1037 CB PHE B 19 14.002 -17.687 -13.671 1.00 0.00 C ATOM 1038 CG PHE B 19 13.694 -17.407 -15.132 1.00 0.00 C ATOM 1039 CD1 PHE B 19 13.261 -18.426 -16.005 1.00 0.00 C ATOM 1040 CD2 PHE B 19 13.889 -16.108 -15.633 1.00 0.00 C ATOM 1041 CE1 PHE B 19 12.983 -18.134 -17.349 1.00 0.00 C ATOM 1042 CE2 PHE B 19 13.626 -15.816 -16.983 1.00 0.00 C ATOM 1043 CZ PHE B 19 13.164 -16.831 -17.837 1.00 0.00 C ATOM 0 H PHE B 19 13.632 -20.105 -13.678 1.00 0.00 H new ATOM 0 HA PHE B 19 13.134 -18.239 -11.768 1.00 0.00 H new ATOM 0 HB2 PHE B 19 14.269 -16.743 -13.196 1.00 0.00 H new ATOM 0 HB3 PHE B 19 14.885 -18.325 -13.630 1.00 0.00 H new ATOM 0 HD1 PHE B 19 13.143 -19.435 -15.638 1.00 0.00 H new ATOM 0 HD2 PHE B 19 14.244 -15.328 -14.976 1.00 0.00 H new ATOM 0 HE1 PHE B 19 12.629 -18.913 -18.008 1.00 0.00 H new ATOM 0 HE2 PHE B 19 13.778 -14.816 -17.362 1.00 0.00 H new ATOM 0 HZ PHE B 19 12.948 -16.608 -18.871 1.00 0.00 H new ATOM 1053 N SER B 20 10.725 -18.076 -13.974 1.00 0.00 N ATOM 1054 CA SER B 20 9.378 -17.548 -14.230 1.00 0.00 C ATOM 1055 C SER B 20 8.479 -17.556 -12.993 1.00 0.00 C ATOM 1056 O SER B 20 7.691 -16.630 -12.789 1.00 0.00 O ATOM 1057 CB SER B 20 8.717 -18.360 -15.346 1.00 0.00 C ATOM 1058 OG SER B 20 7.431 -17.842 -15.651 1.00 0.00 O ATOM 0 H SER B 20 10.986 -18.829 -14.611 1.00 0.00 H new ATOM 0 HA SER B 20 9.498 -16.506 -14.526 1.00 0.00 H new ATOM 0 HB2 SER B 20 9.344 -18.339 -16.238 1.00 0.00 H new ATOM 0 HB3 SER B 20 8.631 -19.403 -15.041 1.00 0.00 H new ATOM 0 HG SER B 20 7.026 -18.374 -16.368 1.00 0.00 H new ATOM 1064 N ASP B 21 8.598 -18.581 -12.146 1.00 0.00 N ATOM 1065 CA ASP B 21 7.814 -18.705 -10.918 1.00 0.00 C ATOM 1066 C ASP B 21 8.435 -17.951 -9.737 1.00 0.00 C ATOM 1067 O ASP B 21 7.709 -17.474 -8.865 1.00 0.00 O ATOM 1068 CB ASP B 21 7.625 -20.193 -10.601 1.00 0.00 C ATOM 1069 CG ASP B 21 6.704 -20.422 -9.391 1.00 0.00 C ATOM 1070 OD1 ASP B 21 5.485 -20.152 -9.506 1.00 0.00 O ATOM 1071 OD2 ASP B 21 7.193 -20.898 -8.338 1.00 0.00 O ATOM 0 H ASP B 21 9.247 -19.354 -12.296 1.00 0.00 H new ATOM 0 HA ASP B 21 6.843 -18.238 -11.081 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.208 -20.697 -11.473 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.597 -20.646 -10.406 1.00 0.00 H new ATOM 1076 N LEU B 22 9.757 -17.751 -9.739 1.00 0.00 N ATOM 1077 CA LEU B 22 10.422 -16.927 -8.724 1.00 0.00 C ATOM 1078 C LEU B 22 9.892 -15.488 -8.798 1.00 0.00 C ATOM 1079 O LEU B 22 9.629 -14.875 -7.763 1.00 0.00 O ATOM 1080 CB LEU B 22 11.955 -16.980 -8.876 1.00 0.00 C ATOM 1081 CG LEU B 22 12.575 -18.383 -8.721 1.00 0.00 C ATOM 1082 CD1 LEU B 22 14.094 -18.289 -8.880 1.00 0.00 C ATOM 1083 CD2 LEU B 22 12.270 -19.001 -7.355 1.00 0.00 C ATOM 0 H LEU B 22 10.389 -18.149 -10.434 1.00 0.00 H new ATOM 0 HA LEU B 22 10.191 -17.328 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.222 -16.587 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.402 -16.317 -8.135 1.00 0.00 H new ATOM 0 HG LEU B 22 12.137 -19.018 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU B 22 14.533 -19.281 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU B 22 14.333 -17.893 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU B 22 14.500 -17.626 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.727 -19.989 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.674 -18.363 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.191 -19.092 -7.230 1.00 0.00 H new ATOM 1095 N TRP B 23 9.647 -14.965 -10.008 1.00 0.00 N ATOM 1096 CA TRP B 23 9.065 -13.629 -10.197 1.00 0.00 C ATOM 1097 C TRP B 23 7.616 -13.502 -9.695 1.00 0.00 C ATOM 1098 O TRP B 23 7.160 -12.394 -9.420 1.00 0.00 O ATOM 1099 CB TRP B 23 9.090 -13.241 -11.670 1.00 0.00 C ATOM 1100 CG TRP B 23 10.364 -13.451 -12.422 1.00 0.00 C ATOM 1101 CD1 TRP B 23 10.412 -14.066 -13.618 1.00 0.00 C ATOM 1102 CD2 TRP B 23 11.741 -13.049 -12.118 1.00 0.00 C ATOM 1103 NE1 TRP B 23 11.698 -14.014 -14.121 1.00 0.00 N ATOM 1104 CE2 TRP B 23 12.551 -13.362 -13.255 1.00 0.00 C ATOM 1105 CE3 TRP B 23 12.393 -12.449 -11.016 1.00 0.00 C ATOM 1106 CZ2 TRP B 23 13.911 -13.019 -13.324 1.00 0.00 C ATOM 1107 CZ3 TRP B 23 13.761 -12.116 -11.070 1.00 0.00 C ATOM 1108 CH2 TRP B 23 14.515 -12.384 -12.227 1.00 0.00 C ATOM 0 H TRP B 23 9.846 -15.455 -10.880 1.00 0.00 H new ATOM 0 HA TRP B 23 9.684 -12.960 -9.598 1.00 0.00 H new ATOM 0 HB2 TRP B 23 8.305 -13.801 -12.178 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.827 -12.186 -11.743 1.00 0.00 H new ATOM 0 HD1 TRP B 23 9.571 -14.531 -14.111 1.00 0.00 H new ATOM 0 HE1 TRP B 23 11.981 -14.408 -15.019 1.00 0.00 H new ATOM 0 HE3 TRP B 23 11.832 -12.242 -10.117 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 14.486 -13.241 -14.211 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 14.234 -11.652 -10.217 1.00 0.00 H new ATOM 0 HH2 TRP B 23 15.557 -12.102 -12.271 1.00 0.00 H new ATOM 1119 N LYS B 24 6.887 -14.618 -9.551 1.00 0.00 N ATOM 1120 CA LYS B 24 5.503 -14.654 -9.031 1.00 0.00 C ATOM 1121 C LYS B 24 5.454 -14.652 -7.492 1.00 0.00 C ATOM 1122 O LYS B 24 4.370 -14.561 -6.913 1.00 0.00 O ATOM 1123 CB LYS B 24 4.752 -15.872 -9.604 1.00 0.00 C ATOM 1124 CG LYS B 24 4.618 -15.798 -11.134 1.00 0.00 C ATOM 1125 CD LYS B 24 3.921 -17.042 -11.705 1.00 0.00 C ATOM 1126 CE LYS B 24 3.793 -16.957 -13.235 1.00 0.00 C ATOM 1127 NZ LYS B 24 5.099 -17.145 -13.922 1.00 0.00 N ATOM 0 H LYS B 24 7.245 -15.541 -9.796 1.00 0.00 H new ATOM 0 HA LYS B 24 5.006 -13.742 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS B 24 5.280 -16.785 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS B 24 3.760 -15.930 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS B 24 4.053 -14.907 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS B 24 5.607 -15.698 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS B 24 4.485 -17.934 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS B 24 2.931 -17.143 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.090 -17.715 -13.581 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.377 -15.988 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.169 -16.484 -14.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 5.873 -16.961 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 5.169 -18.121 -14.273 1.00 0.00 H new ATOM 1141 N LEU B 25 6.621 -14.751 -6.842 1.00 0.00 N ATOM 1142 CA LEU B 25 6.785 -14.792 -5.384 1.00 0.00 C ATOM 1143 C LEU B 25 7.629 -13.618 -4.853 1.00 0.00 C ATOM 1144 O LEU B 25 7.259 -12.990 -3.861 1.00 0.00 O ATOM 1145 CB LEU B 25 7.456 -16.133 -5.018 1.00 0.00 C ATOM 1146 CG LEU B 25 6.659 -17.399 -5.394 1.00 0.00 C ATOM 1147 CD1 LEU B 25 7.536 -18.635 -5.195 1.00 0.00 C ATOM 1148 CD2 LEU B 25 5.399 -17.560 -4.541 1.00 0.00 C ATOM 0 H LEU B 25 7.511 -14.807 -7.337 1.00 0.00 H new ATOM 0 HA LEU B 25 5.803 -14.703 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU B 25 8.429 -16.178 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.640 -16.146 -3.944 1.00 0.00 H new ATOM 0 HG LEU B 25 6.360 -17.295 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU B 25 6.971 -19.529 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.419 -18.561 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU B 25 7.844 -18.698 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.870 -18.464 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU B 25 5.678 -17.635 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.750 -16.696 -4.684 1.00 0.00 H new ATOM 1408 N LEU B 43 28.360 -1.929 -4.738 1.00 0.00 N ATOM 1409 CA LEU B 43 28.093 -3.340 -5.070 1.00 0.00 C ATOM 1410 C LEU B 43 27.017 -3.528 -6.153 1.00 0.00 C ATOM 1411 O LEU B 43 26.152 -2.670 -6.343 1.00 0.00 O ATOM 1412 CB LEU B 43 27.753 -4.095 -3.768 1.00 0.00 C ATOM 1413 CG LEU B 43 26.430 -3.675 -3.091 1.00 0.00 C ATOM 1414 CD1 LEU B 43 25.236 -4.543 -3.493 1.00 0.00 C ATOM 1415 CD2 LEU B 43 26.574 -3.764 -1.570 1.00 0.00 C ATOM 0 HA LEU B 43 28.994 -3.762 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU B 43 27.708 -5.162 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 43 28.568 -3.949 -3.059 1.00 0.00 H new ATOM 0 HG LEU B 43 26.236 -2.655 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU B 43 24.341 -4.191 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 43 25.086 -4.478 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU B 43 25.430 -5.579 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU B 43 25.638 -3.467 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU B 43 26.814 -4.789 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU B 43 27.373 -3.100 -1.241 1.00 0.00 H new ATOM 1427 N MET B 44 27.072 -4.671 -6.843 1.00 0.00 N ATOM 1428 CA MET B 44 26.151 -5.086 -7.912 1.00 0.00 C ATOM 1429 C MET B 44 26.219 -6.612 -8.128 1.00 0.00 C ATOM 1430 O MET B 44 27.126 -7.281 -7.629 1.00 0.00 O ATOM 1431 CB MET B 44 26.503 -4.308 -9.202 1.00 0.00 C ATOM 1432 CG MET B 44 25.565 -4.527 -10.402 1.00 0.00 C ATOM 1433 SD MET B 44 23.775 -4.525 -10.070 1.00 0.00 S ATOM 1434 CE MET B 44 23.577 -2.910 -9.273 1.00 0.00 C ATOM 0 H MET B 44 27.795 -5.368 -6.664 1.00 0.00 H new ATOM 0 HA MET B 44 25.124 -4.853 -7.630 1.00 0.00 H new ATOM 0 HB2 MET B 44 26.517 -3.244 -8.968 1.00 0.00 H new ATOM 0 HB3 MET B 44 27.514 -4.582 -9.503 1.00 0.00 H new ATOM 0 HG2 MET B 44 25.773 -3.751 -11.139 1.00 0.00 H new ATOM 0 HG3 MET B 44 25.822 -5.481 -10.862 1.00 0.00 H new ATOM 0 HE1 MET B 44 22.533 -2.602 -9.329 1.00 0.00 H new ATOM 0 HE2 MET B 44 23.879 -2.980 -8.228 1.00 0.00 H new ATOM 0 HE3 MET B 44 24.200 -2.174 -9.782 1.00 0.00 H new ATOM 1444 N LEU B 45 25.259 -7.169 -8.870 1.00 0.00 N ATOM 1445 CA LEU B 45 25.170 -8.596 -9.209 1.00 0.00 C ATOM 1446 C LEU B 45 26.350 -9.093 -10.082 1.00 0.00 C ATOM 1447 O LEU B 45 27.210 -8.325 -10.524 1.00 0.00 O ATOM 1448 CB LEU B 45 23.807 -8.865 -9.889 1.00 0.00 C ATOM 1449 CG LEU B 45 22.562 -8.450 -9.075 1.00 0.00 C ATOM 1450 CD1 LEU B 45 21.298 -8.895 -9.815 1.00 0.00 C ATOM 1451 CD2 LEU B 45 22.535 -9.049 -7.665 1.00 0.00 C ATOM 0 H LEU B 45 24.495 -6.622 -9.266 1.00 0.00 H new ATOM 0 HA LEU B 45 25.241 -9.167 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU B 45 23.787 -8.339 -10.843 1.00 0.00 H new ATOM 0 HB3 LEU B 45 23.736 -9.930 -10.111 1.00 0.00 H new ATOM 0 HG LEU B 45 22.604 -7.366 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU B 45 20.419 -8.603 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU B 45 21.265 -8.421 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU B 45 21.309 -9.978 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU B 45 21.635 -8.718 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU B 45 22.536 -10.137 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU B 45 23.414 -8.718 -7.112 1.00 0.00 H new ATOM 1463 N SER B 46 26.364 -10.402 -10.331 1.00 0.00 N ATOM 1464 CA SER B 46 27.356 -11.169 -11.102 1.00 0.00 C ATOM 1465 C SER B 46 26.642 -12.093 -12.109 1.00 0.00 C ATOM 1466 O SER B 46 25.464 -12.405 -11.896 1.00 0.00 O ATOM 1467 CB SER B 46 28.162 -11.987 -10.073 1.00 0.00 C ATOM 1468 OG SER B 46 28.793 -13.141 -10.604 1.00 0.00 O ATOM 0 H SER B 46 25.625 -11.007 -9.972 1.00 0.00 H new ATOM 0 HA SER B 46 28.013 -10.518 -11.678 1.00 0.00 H new ATOM 0 HB2 SER B 46 28.923 -11.343 -9.631 1.00 0.00 H new ATOM 0 HB3 SER B 46 27.495 -12.292 -9.267 1.00 0.00 H new ATOM 0 HG SER B 46 29.283 -13.603 -9.892 1.00 0.00 H new ATOM 1474 N PRO B 47 27.303 -12.602 -13.175 1.00 0.00 N ATOM 1475 CA PRO B 47 26.698 -13.603 -14.065 1.00 0.00 C ATOM 1476 C PRO B 47 26.225 -14.855 -13.292 1.00 0.00 C ATOM 1477 O PRO B 47 25.305 -15.544 -13.734 1.00 0.00 O ATOM 1478 CB PRO B 47 27.771 -13.936 -15.110 1.00 0.00 C ATOM 1479 CG PRO B 47 29.079 -13.565 -14.410 1.00 0.00 C ATOM 1480 CD PRO B 47 28.676 -12.343 -13.592 1.00 0.00 C ATOM 0 HA PRO B 47 25.797 -13.216 -14.540 1.00 0.00 H new ATOM 0 HB2 PRO B 47 27.749 -14.990 -15.386 1.00 0.00 H new ATOM 0 HB3 PRO B 47 27.630 -13.363 -16.027 1.00 0.00 H new ATOM 0 HG2 PRO B 47 29.446 -14.374 -13.778 1.00 0.00 H new ATOM 0 HG3 PRO B 47 29.870 -13.334 -15.123 1.00 0.00 H new ATOM 0 HD2 PRO B 47 29.331 -12.211 -12.731 1.00 0.00 H new ATOM 0 HD3 PRO B 47 28.743 -11.431 -14.186 1.00 0.00 H new ATOM 1488 N ASP B 48 26.796 -15.104 -12.105 1.00 0.00 N ATOM 1489 CA ASP B 48 26.406 -16.174 -11.184 1.00 0.00 C ATOM 1490 C ASP B 48 24.931 -16.059 -10.739 1.00 0.00 C ATOM 1491 O ASP B 48 24.245 -17.069 -10.604 1.00 0.00 O ATOM 1492 CB ASP B 48 27.331 -16.135 -9.962 1.00 0.00 C ATOM 1493 CG ASP B 48 27.079 -17.322 -9.016 1.00 0.00 C ATOM 1494 OD1 ASP B 48 27.460 -18.465 -9.364 1.00 0.00 O ATOM 1495 OD2 ASP B 48 26.540 -17.108 -7.904 1.00 0.00 O ATOM 0 H ASP B 48 27.570 -14.543 -11.750 1.00 0.00 H new ATOM 0 HA ASP B 48 26.504 -17.125 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP B 48 28.370 -16.147 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP B 48 27.180 -15.201 -9.421 1.00 0.00 H new ATOM 1500 N ASP B 49 24.417 -14.834 -10.559 1.00 0.00 N ATOM 1501 CA ASP B 49 23.014 -14.575 -10.207 1.00 0.00 C ATOM 1502 C ASP B 49 22.061 -14.910 -11.372 1.00 0.00 C ATOM 1503 O ASP B 49 20.917 -15.321 -11.152 1.00 0.00 O ATOM 1504 CB ASP B 49 22.828 -13.103 -9.807 1.00 0.00 C ATOM 1505 CG ASP B 49 23.653 -12.719 -8.574 1.00 0.00 C ATOM 1506 OD1 ASP B 49 23.208 -12.983 -7.435 1.00 0.00 O ATOM 1507 OD2 ASP B 49 24.744 -12.125 -8.726 1.00 0.00 O ATOM 0 H ASP B 49 24.972 -13.984 -10.655 1.00 0.00 H new ATOM 0 HA ASP B 49 22.767 -15.222 -9.365 1.00 0.00 H new ATOM 0 HB2 ASP B 49 23.112 -12.464 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP B 49 21.773 -12.915 -9.607 1.00 0.00 H new ATOM 1512 N ILE B 50 22.544 -14.763 -12.613 1.00 0.00 N ATOM 1513 CA ILE B 50 21.783 -15.036 -13.839 1.00 0.00 C ATOM 1514 C ILE B 50 21.707 -16.548 -14.109 1.00 0.00 C ATOM 1515 O ILE B 50 20.632 -17.076 -14.391 1.00 0.00 O ATOM 1516 CB ILE B 50 22.392 -14.301 -15.061 1.00 0.00 C ATOM 1517 CG1 ILE B 50 22.820 -12.842 -14.762 1.00 0.00 C ATOM 1518 CG2 ILE B 50 21.361 -14.320 -16.208 1.00 0.00 C ATOM 1519 CD1 ILE B 50 23.520 -12.152 -15.941 1.00 0.00 C ATOM 0 H ILE B 50 23.495 -14.444 -12.796 1.00 0.00 H new ATOM 0 HA ILE B 50 20.772 -14.657 -13.688 1.00 0.00 H new ATOM 0 HB ILE B 50 23.304 -14.830 -15.337 1.00 0.00 H new ATOM 0 HG12 ILE B 50 21.939 -12.263 -14.485 1.00 0.00 H new ATOM 0 HG13 ILE B 50 23.488 -12.838 -13.901 1.00 0.00 H new ATOM 0 HG21 ILE B 50 21.773 -13.807 -17.077 1.00 0.00 H new ATOM 0 HG22 ILE B 50 21.130 -15.352 -16.472 1.00 0.00 H new ATOM 0 HG23 ILE B 50 20.450 -13.815 -15.887 1.00 0.00 H new ATOM 0 HD11 ILE B 50 23.791 -11.135 -15.659 1.00 0.00 H new ATOM 0 HD12 ILE B 50 24.420 -12.707 -16.205 1.00 0.00 H new ATOM 0 HD13 ILE B 50 22.847 -12.124 -16.798 1.00 0.00 H new ATOM 1531 N GLU B 51 22.829 -17.268 -13.988 1.00 0.00 N ATOM 1532 CA GLU B 51 22.860 -18.729 -14.168 1.00 0.00 C ATOM 1533 C GLU B 51 22.219 -19.496 -12.989 1.00 0.00 C ATOM 1534 O GLU B 51 22.089 -20.719 -13.030 1.00 0.00 O ATOM 1535 CB GLU B 51 24.286 -19.211 -14.489 1.00 0.00 C ATOM 1536 CG GLU B 51 25.234 -19.231 -13.289 1.00 0.00 C ATOM 1537 CD GLU B 51 26.660 -19.622 -13.727 1.00 0.00 C ATOM 1538 OE1 GLU B 51 26.924 -20.837 -13.916 1.00 0.00 O ATOM 1539 OE2 GLU B 51 27.528 -18.727 -13.864 1.00 0.00 O ATOM 0 H GLU B 51 23.737 -16.860 -13.764 1.00 0.00 H new ATOM 0 HA GLU B 51 22.235 -18.962 -15.030 1.00 0.00 H new ATOM 0 HB2 GLU B 51 24.231 -20.215 -14.909 1.00 0.00 H new ATOM 0 HB3 GLU B 51 24.709 -18.566 -15.259 1.00 0.00 H new ATOM 0 HG2 GLU B 51 25.250 -18.249 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU B 51 24.870 -19.938 -12.544 1.00 0.00 H new ATOM 1546 N GLN B 52 21.822 -18.790 -11.924 1.00 0.00 N ATOM 1547 CA GLN B 52 21.192 -19.360 -10.731 1.00 0.00 C ATOM 1548 C GLN B 52 19.676 -19.569 -10.904 1.00 0.00 C ATOM 1549 O GLN B 52 19.198 -20.694 -10.764 1.00 0.00 O ATOM 1550 CB GLN B 52 21.499 -18.405 -9.553 1.00 0.00 C ATOM 1551 CG GLN B 52 20.581 -18.458 -8.309 1.00 0.00 C ATOM 1552 CD GLN B 52 20.346 -17.085 -7.660 1.00 0.00 C ATOM 1553 OE1 GLN B 52 20.497 -16.912 -6.457 1.00 0.00 O ATOM 1554 NE2 GLN B 52 19.969 -16.057 -8.402 1.00 0.00 N ATOM 0 H GLN B 52 21.934 -17.778 -11.868 1.00 0.00 H new ATOM 0 HA GLN B 52 21.598 -20.354 -10.542 1.00 0.00 H new ATOM 0 HB2 GLN B 52 22.519 -18.602 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN B 52 21.480 -17.385 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN B 52 19.620 -18.885 -8.595 1.00 0.00 H new ATOM 0 HG3 GLN B 52 21.021 -19.129 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN B 52 19.836 -16.175 -9.406 1.00 0.00 H new ATOM 0 HE22 GLN B 52 19.811 -15.147 -7.970 1.00 0.00 H new ATOM 1563 N TRP B 53 18.892 -18.513 -11.165 1.00 0.00 N ATOM 1564 CA TRP B 53 17.423 -18.607 -11.175 1.00 0.00 C ATOM 1565 C TRP B 53 16.820 -19.560 -12.220 1.00 0.00 C ATOM 1566 O TRP B 53 15.730 -20.100 -11.986 1.00 0.00 O ATOM 1567 CB TRP B 53 16.792 -17.203 -11.177 1.00 0.00 C ATOM 1568 CG TRP B 53 17.356 -16.154 -12.084 1.00 0.00 C ATOM 1569 CD1 TRP B 53 17.691 -16.325 -13.381 1.00 0.00 C ATOM 1570 CD2 TRP B 53 17.639 -14.747 -11.785 1.00 0.00 C ATOM 1571 NE1 TRP B 53 18.194 -15.147 -13.889 1.00 0.00 N ATOM 1572 CE2 TRP B 53 18.179 -14.136 -12.956 1.00 0.00 C ATOM 1573 CE3 TRP B 53 17.499 -13.923 -10.644 1.00 0.00 C ATOM 1574 CZ2 TRP B 53 18.581 -12.792 -12.996 1.00 0.00 C ATOM 1575 CZ3 TRP B 53 17.888 -12.569 -10.676 1.00 0.00 C ATOM 1576 CH2 TRP B 53 18.434 -12.003 -11.842 1.00 0.00 C ATOM 0 H TRP B 53 19.251 -17.581 -11.373 1.00 0.00 H new ATOM 0 HA TRP B 53 17.152 -19.100 -10.241 1.00 0.00 H new ATOM 0 HB2 TRP B 53 15.736 -17.317 -11.423 1.00 0.00 H new ATOM 0 HB3 TRP B 53 16.842 -16.818 -10.158 1.00 0.00 H new ATOM 0 HD1 TRP B 53 17.581 -17.245 -13.936 1.00 0.00 H new ATOM 0 HE1 TRP B 53 18.537 -15.038 -14.843 1.00 0.00 H new ATOM 0 HE3 TRP B 53 17.088 -14.337 -9.735 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 18.997 -12.371 -13.899 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 17.765 -11.958 -9.794 1.00 0.00 H new ATOM 0 HH2 TRP B 53 18.739 -10.967 -11.851 1.00 0.00 H new ATOM 1587 N PHE B 54 17.500 -19.808 -13.330 1.00 0.00 N ATOM 1588 CA PHE B 54 17.017 -20.705 -14.397 1.00 0.00 C ATOM 1589 C PHE B 54 17.416 -22.188 -14.205 1.00 0.00 C ATOM 1590 O PHE B 54 16.931 -23.049 -14.940 1.00 0.00 O ATOM 1591 CB PHE B 54 17.463 -20.167 -15.771 1.00 0.00 C ATOM 1592 CG PHE B 54 18.754 -20.754 -16.334 1.00 0.00 C ATOM 1593 CD1 PHE B 54 19.942 -20.730 -15.581 1.00 0.00 C ATOM 1594 CD2 PHE B 54 18.750 -21.373 -17.598 1.00 0.00 C ATOM 1595 CE1 PHE B 54 21.104 -21.356 -16.070 1.00 0.00 C ATOM 1596 CE2 PHE B 54 19.917 -21.978 -18.098 1.00 0.00 C ATOM 1597 CZ PHE B 54 21.094 -21.977 -17.329 1.00 0.00 C ATOM 0 H PHE B 54 18.411 -19.394 -13.527 1.00 0.00 H new ATOM 0 HA PHE B 54 15.928 -20.704 -14.342 1.00 0.00 H new ATOM 0 HB2 PHE B 54 16.662 -20.349 -16.487 1.00 0.00 H new ATOM 0 HB3 PHE B 54 17.582 -19.086 -15.694 1.00 0.00 H new ATOM 0 HD1 PHE B 54 19.963 -20.229 -14.624 1.00 0.00 H new ATOM 0 HD2 PHE B 54 17.845 -21.383 -18.188 1.00 0.00 H new ATOM 0 HE1 PHE B 54 22.005 -21.359 -15.475 1.00 0.00 H new ATOM 0 HE2 PHE B 54 19.909 -22.443 -19.073 1.00 0.00 H new ATOM 0 HZ PHE B 54 21.988 -22.452 -17.706 1.00 0.00 H new ATOM 1607 N THR B 55 18.308 -22.490 -13.250 1.00 0.00 N ATOM 1608 CA THR B 55 18.855 -23.843 -13.036 1.00 0.00 C ATOM 1609 C THR B 55 18.028 -24.764 -12.134 1.00 0.00 C ATOM 1610 O THR B 55 18.178 -25.985 -12.207 1.00 0.00 O ATOM 1611 CB THR B 55 20.290 -23.724 -12.474 1.00 0.00 C ATOM 1612 OG1 THR B 55 21.111 -24.725 -13.039 1.00 0.00 O ATOM 1613 CG2 THR B 55 20.412 -23.830 -10.946 1.00 0.00 C ATOM 0 H THR B 55 18.675 -21.797 -12.597 1.00 0.00 H new ATOM 0 HA THR B 55 18.834 -24.320 -14.016 1.00 0.00 H new ATOM 0 HB THR B 55 20.606 -22.717 -12.746 1.00 0.00 H new ATOM 0 HG1 THR B 55 22.019 -24.644 -12.680 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.459 -23.734 -10.657 1.00 0.00 H new ATOM 0 HG22 THR B 55 19.832 -23.034 -10.479 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.032 -24.797 -10.617 1.00 0.00 H new