USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 885 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 54 TYR OH : rot 30:sc= -0.981 USER MOD Set 1.2: B 61 GLN : amide:sc= -1.06 K(o=-2,f=-2.8!) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.537 K(o=0.54,f=-0.41) USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0175 F(o=-1.1,f=-0.017) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.653 USER MOD Single : A 31 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.093) USER MOD Single : A 32 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.33) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.17) USER MOD Single : B 47 THR OG1 : rot 107:sc= 1.26 USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.15) USER MOD Single : B 55 GLN : amide:sc= -1.93! X(o=-1.9!,f=-2.1) USER MOD Single : B 56 ASN : amide:sc= 1.21 K(o=1.2,f=-0.23) USER MOD Single : B 57 SER OG : rot 150:sc= -0.605 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0.226 K(o=0.23,f=-0.49) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : B 70 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.13) USER MOD Single : B 72 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 97 GLN :FLIP amide:sc= -0.137 F(o=-3.4!,f=-0.14) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= 0.359 X(o=0.36,f=-0.081) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.2!) USER MOD Single : B 107 THR OG1 : rot -18:sc= 1.22 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 115 TYR OH : rot 180:sc= -0.293 USER MOD Single : B 116 ASN : amide:sc= 0.0666 X(o=0.067,f=0) USER MOD Single : B 123 CYS SG : rot 60:sc= 1.39 USER MOD Single : B 124 GLN : amide:sc= -0.337 K(o=-0.34,f=-0.99) USER MOD Single : B 129 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.25) USER MOD Single : B 131 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.801 0.829 -6.830 1.00 0.00 N ATOM 104 CA GLU A 8 9.751 1.608 -6.193 1.00 0.00 C ATOM 105 C GLU A 8 8.741 0.707 -5.497 1.00 0.00 C ATOM 106 O GLU A 8 8.400 0.940 -4.346 1.00 0.00 O ATOM 107 CB GLU A 8 9.071 2.550 -7.203 1.00 0.00 C ATOM 108 CG GLU A 8 8.895 1.982 -8.608 1.00 0.00 C ATOM 109 CD GLU A 8 7.725 1.033 -8.740 1.00 0.00 C ATOM 110 OE1 GLU A 8 6.568 1.493 -8.708 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 7.966 -0.184 -8.871 1.00 0.00 O ATOM 0 HA GLU A 8 10.213 2.229 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.090 2.825 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.656 3.467 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.763 2.806 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.808 1.461 -8.896 1.00 0.00 H new ATOM 118 N ASN A 9 8.302 -0.339 -6.181 1.00 0.00 N ATOM 119 CA ASN A 9 7.381 -1.314 -5.605 1.00 0.00 C ATOM 120 C ASN A 9 7.950 -1.909 -4.325 1.00 0.00 C ATOM 121 O ASN A 9 7.217 -2.163 -3.376 1.00 0.00 O ATOM 122 CB ASN A 9 7.081 -2.430 -6.608 1.00 0.00 C ATOM 123 CG ASN A 9 8.341 -3.090 -7.125 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.828 -4.073 -6.565 1.00 0.00 O ATOM 125 ND2 ASN A 9 8.884 -2.539 -8.194 1.00 0.00 N ATOM 0 H ASN A 9 8.570 -0.537 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 9 6.453 -0.795 -5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.448 -3.181 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.517 -2.021 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.741 -2.927 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.447 -1.725 -8.626 1.00 0.00 H new ATOM 132 N SER A 10 9.263 -2.096 -4.291 1.00 0.00 N ATOM 133 CA SER A 10 9.920 -2.653 -3.121 1.00 0.00 C ATOM 134 C SER A 10 9.818 -1.680 -1.948 1.00 0.00 C ATOM 135 O SER A 10 9.738 -2.086 -0.786 1.00 0.00 O ATOM 136 CB SER A 10 11.380 -2.966 -3.444 1.00 0.00 C ATOM 137 OG SER A 10 11.471 -3.768 -4.614 1.00 0.00 O ATOM 0 H SER A 10 9.892 -1.869 -5.061 1.00 0.00 H new ATOM 0 HA SER A 10 9.423 -3.581 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.933 -2.038 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.841 -3.485 -2.604 1.00 0.00 H new ATOM 0 HG SER A 10 12.413 -3.958 -4.808 1.00 0.00 H new ATOM 143 N GLN A 11 9.804 -0.391 -2.267 1.00 0.00 N ATOM 144 CA GLN A 11 9.610 0.652 -1.271 1.00 0.00 C ATOM 145 C GLN A 11 8.131 0.721 -0.884 1.00 0.00 C ATOM 146 O GLN A 11 7.789 0.827 0.293 1.00 0.00 O ATOM 147 CB GLN A 11 10.066 2.008 -1.824 1.00 0.00 C ATOM 148 CG GLN A 11 11.449 1.985 -2.462 1.00 0.00 C ATOM 149 CD GLN A 11 12.565 1.750 -1.464 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.391 2.240 -0.248 1.00 0.00 O flip ATOM 151 NE2 GLN A 11 13.588 1.150 -1.789 1.00 0.00 N flip ATOM 0 H GLN A 11 9.926 -0.042 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 11 10.206 0.416 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.342 2.349 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.063 2.738 -1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.479 1.203 -3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.622 2.932 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.686 0.786 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.338 1.016 -1.111 1.00 0.00 H new ATOM 160 N LEU A 12 7.272 0.644 -1.905 1.00 0.00 N ATOM 161 CA LEU A 12 5.816 0.651 -1.736 1.00 0.00 C ATOM 162 C LEU A 12 5.362 -0.364 -0.696 1.00 0.00 C ATOM 163 O LEU A 12 4.672 -0.019 0.262 1.00 0.00 O ATOM 164 CB LEU A 12 5.132 0.311 -3.065 1.00 0.00 C ATOM 165 CG LEU A 12 4.727 1.491 -3.955 1.00 0.00 C ATOM 166 CD1 LEU A 12 5.888 2.433 -4.202 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.196 0.971 -5.277 1.00 0.00 C ATOM 0 H LEU A 12 7.569 0.575 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 12 5.538 1.650 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.801 -0.332 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.238 -0.273 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 12 3.950 2.052 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.560 3.256 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.245 2.828 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.696 1.893 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.908 1.811 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.971 0.389 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.327 0.338 -5.096 1.00 0.00 H new ATOM 179 N LEU A 13 5.768 -1.612 -0.900 1.00 0.00 N ATOM 180 CA LEU A 13 5.301 -2.734 -0.090 1.00 0.00 C ATOM 181 C LEU A 13 5.521 -2.492 1.395 1.00 0.00 C ATOM 182 O LEU A 13 4.599 -2.635 2.200 1.00 0.00 O ATOM 183 CB LEU A 13 6.023 -4.017 -0.497 1.00 0.00 C ATOM 184 CG LEU A 13 6.008 -4.330 -1.991 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.708 -5.647 -2.260 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.585 -4.349 -2.529 1.00 0.00 C ATOM 0 H LEU A 13 6.429 -1.876 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 13 4.230 -2.834 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.060 -3.951 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.571 -4.853 0.037 1.00 0.00 H new ATOM 0 HG LEU A 13 6.549 -3.541 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.689 -5.857 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.742 -5.586 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.197 -6.447 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.602 -4.574 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.009 -5.112 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.123 -3.374 -2.371 1.00 0.00 H new ATOM 198 N ASP A 14 6.739 -2.118 1.756 1.00 0.00 N ATOM 199 CA ASP A 14 7.086 -1.968 3.159 1.00 0.00 C ATOM 200 C ASP A 14 6.513 -0.669 3.713 1.00 0.00 C ATOM 201 O ASP A 14 6.224 -0.574 4.899 1.00 0.00 O ATOM 202 CB ASP A 14 8.600 -2.026 3.357 1.00 0.00 C ATOM 203 CG ASP A 14 8.979 -2.615 4.704 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.690 -3.811 4.936 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 9.573 -1.898 5.532 1.00 0.00 O ATOM 0 H ASP A 14 7.496 -1.915 1.104 1.00 0.00 H new ATOM 0 HA ASP A 14 6.647 -2.799 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.046 -2.624 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.015 -1.022 3.272 1.00 0.00 H new ATOM 210 N PHE A 15 6.325 0.320 2.841 1.00 0.00 N ATOM 211 CA PHE A 15 5.672 1.572 3.222 1.00 0.00 C ATOM 212 C PHE A 15 4.235 1.298 3.657 1.00 0.00 C ATOM 213 O PHE A 15 3.810 1.701 4.740 1.00 0.00 O ATOM 214 CB PHE A 15 5.691 2.556 2.044 1.00 0.00 C ATOM 215 CG PHE A 15 5.026 3.875 2.329 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.747 4.926 2.870 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.682 4.064 2.048 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.140 6.141 3.127 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.070 5.276 2.305 1.00 0.00 C ATOM 220 CZ PHE A 15 3.800 6.315 2.846 1.00 0.00 C ATOM 0 H PHE A 15 6.616 0.279 1.864 1.00 0.00 H new ATOM 0 HA PHE A 15 6.215 2.015 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.726 2.739 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.199 2.091 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.795 4.795 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.106 3.255 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.714 6.954 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.022 5.410 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.323 7.263 3.049 1.00 0.00 H new ATOM 230 N ILE A 16 3.500 0.607 2.796 1.00 0.00 N ATOM 231 CA ILE A 16 2.135 0.192 3.089 1.00 0.00 C ATOM 232 C ILE A 16 2.104 -0.668 4.351 1.00 0.00 C ATOM 233 O ILE A 16 1.206 -0.549 5.189 1.00 0.00 O ATOM 234 CB ILE A 16 1.546 -0.607 1.909 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.563 0.240 0.634 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.131 -1.066 2.225 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.230 -0.541 -0.619 1.00 0.00 C ATOM 0 H ILE A 16 3.833 0.319 1.876 1.00 0.00 H new ATOM 0 HA ILE A 16 1.534 1.087 3.247 1.00 0.00 H new ATOM 0 HB ILE A 16 2.163 -1.491 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.850 1.058 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.549 0.690 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.267 -1.628 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.144 -1.702 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.500 -0.197 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.262 0.124 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.957 -1.342 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.232 -0.968 -0.527 1.00 0.00 H new ATOM 249 N ARG A 17 3.111 -1.520 4.477 1.00 0.00 N ATOM 250 CA ARG A 17 3.260 -2.377 5.640 1.00 0.00 C ATOM 251 C ARG A 17 3.434 -1.543 6.909 1.00 0.00 C ATOM 252 O ARG A 17 2.817 -1.827 7.938 1.00 0.00 O ATOM 253 CB ARG A 17 4.457 -3.308 5.435 1.00 0.00 C ATOM 254 CG ARG A 17 4.755 -4.211 6.615 1.00 0.00 C ATOM 255 CD ARG A 17 5.918 -5.136 6.309 1.00 0.00 C ATOM 256 NE ARG A 17 6.382 -5.841 7.501 1.00 0.00 N ATOM 257 CZ ARG A 17 7.662 -6.094 7.768 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.619 -5.647 6.962 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.986 -6.773 8.861 1.00 0.00 N ATOM 0 H ARG A 17 3.844 -1.635 3.778 1.00 0.00 H new ATOM 0 HA ARG A 17 2.358 -2.977 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.275 -3.927 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.339 -2.704 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.987 -3.606 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.871 -4.800 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.616 -5.861 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.740 -4.558 5.886 1.00 0.00 H new ATOM 0 HE ARG A 17 5.682 -6.160 8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.376 -5.106 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.597 -5.845 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.256 -7.100 9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.965 -6.968 9.068 1.00 0.00 H new ATOM 273 N GLU A 18 4.263 -0.507 6.824 1.00 0.00 N ATOM 274 CA GLU A 18 4.493 0.388 7.949 1.00 0.00 C ATOM 275 C GLU A 18 3.210 1.091 8.362 1.00 0.00 C ATOM 276 O GLU A 18 2.947 1.263 9.553 1.00 0.00 O ATOM 277 CB GLU A 18 5.575 1.416 7.615 1.00 0.00 C ATOM 278 CG GLU A 18 6.956 0.801 7.508 1.00 0.00 C ATOM 279 CD GLU A 18 8.067 1.835 7.463 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.862 2.958 7.962 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.162 1.516 6.951 1.00 0.00 O ATOM 0 H GLU A 18 4.788 -0.267 5.983 1.00 0.00 H new ATOM 0 HA GLU A 18 4.836 -0.218 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.326 1.906 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.585 2.189 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.119 0.138 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.004 0.185 6.610 1.00 0.00 H new ATOM 288 N LEU A 19 2.407 1.478 7.376 1.00 0.00 N ATOM 289 CA LEU A 19 1.127 2.122 7.645 1.00 0.00 C ATOM 290 C LEU A 19 0.260 1.223 8.511 1.00 0.00 C ATOM 291 O LEU A 19 -0.323 1.663 9.502 1.00 0.00 O ATOM 292 CB LEU A 19 0.369 2.410 6.344 1.00 0.00 C ATOM 293 CG LEU A 19 1.128 3.182 5.274 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.291 3.290 4.010 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.508 4.561 5.771 1.00 0.00 C ATOM 0 H LEU A 19 2.620 1.357 6.386 1.00 0.00 H new ATOM 0 HA LEU A 19 1.335 3.060 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.050 1.459 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.534 2.968 6.591 1.00 0.00 H new ATOM 0 HG LEU A 19 2.044 2.638 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.845 3.844 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.066 2.291 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.639 3.812 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.049 5.093 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.606 5.116 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.142 4.468 6.652 1.00 0.00 H new ATOM 307 N GLY A 20 0.180 -0.040 8.125 1.00 0.00 N ATOM 308 CA GLY A 20 -0.669 -0.977 8.824 1.00 0.00 C ATOM 309 C GLY A 20 -0.164 -1.322 10.211 1.00 0.00 C ATOM 310 O GLY A 20 -0.952 -1.708 11.073 1.00 0.00 O ATOM 0 H GLY A 20 0.692 -0.434 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.672 -0.559 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.751 -1.891 8.236 1.00 0.00 H new ATOM 314 N ASP A 21 1.137 -1.179 10.442 1.00 0.00 N ATOM 315 CA ASP A 21 1.703 -1.533 11.739 1.00 0.00 C ATOM 316 C ASP A 21 1.388 -0.471 12.788 1.00 0.00 C ATOM 317 O ASP A 21 1.236 -0.777 13.968 1.00 0.00 O ATOM 318 CB ASP A 21 3.217 -1.739 11.640 1.00 0.00 C ATOM 319 CG ASP A 21 3.799 -2.315 12.917 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.663 -3.539 13.137 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.397 -1.551 13.709 1.00 0.00 O1- ATOM 0 H ASP A 21 1.810 -0.827 9.761 1.00 0.00 H new ATOM 0 HA ASP A 21 1.243 -2.471 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.438 -2.407 10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.699 -0.786 11.420 1.00 0.00 H new ATOM 326 N VAL A 22 1.272 0.779 12.353 1.00 0.00 N ATOM 327 CA VAL A 22 1.027 1.880 13.279 1.00 0.00 C ATOM 328 C VAL A 22 -0.436 2.310 13.263 1.00 0.00 C ATOM 329 O VAL A 22 -0.877 3.078 14.116 1.00 0.00 O ATOM 330 CB VAL A 22 1.924 3.093 12.974 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.373 2.768 13.290 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.782 3.520 11.523 1.00 0.00 C ATOM 0 H VAL A 22 1.343 1.054 11.373 1.00 0.00 H new ATOM 0 HA VAL A 22 1.273 1.508 14.273 1.00 0.00 H new ATOM 0 HB VAL A 22 1.604 3.922 13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.997 3.634 13.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.467 2.512 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.697 1.924 12.682 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.425 4.379 11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.073 2.696 10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.745 3.792 11.323 1.00 0.00 H new ATOM 342 N GLY A 23 -1.182 1.812 12.289 1.00 0.00 N ATOM 343 CA GLY A 23 -2.596 2.104 12.228 1.00 0.00 C ATOM 344 C GLY A 23 -2.918 3.301 11.355 1.00 0.00 C ATOM 345 O GLY A 23 -3.808 4.088 11.668 1.00 0.00 O ATOM 0 H GLY A 23 -0.833 1.212 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.125 1.231 11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.967 2.287 13.236 1.00 0.00 H new ATOM 349 N LEU A 24 -2.193 3.441 10.260 1.00 0.00 N ATOM 350 CA LEU A 24 -2.465 4.505 9.305 1.00 0.00 C ATOM 351 C LEU A 24 -3.187 3.941 8.093 1.00 0.00 C ATOM 352 O LEU A 24 -3.895 4.651 7.383 1.00 0.00 O ATOM 353 CB LEU A 24 -1.164 5.189 8.883 1.00 0.00 C ATOM 354 CG LEU A 24 -0.417 5.899 10.012 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.935 6.391 9.528 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.244 7.055 10.554 1.00 0.00 C ATOM 0 H LEU A 24 -1.413 2.834 10.008 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.104 5.249 9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.503 4.442 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.389 5.915 8.102 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.254 5.185 10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.453 6.894 10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.530 5.543 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.794 7.089 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.697 7.549 11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.438 7.770 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.190 6.676 10.940 1.00 0.00 H new ATOM 368 N LEU A 25 -3.006 2.647 7.872 1.00 0.00 N ATOM 369 CA LEU A 25 -3.652 1.959 6.765 1.00 0.00 C ATOM 370 C LEU A 25 -4.984 1.360 7.203 1.00 0.00 C ATOM 371 O LEU A 25 -5.786 0.925 6.375 1.00 0.00 O ATOM 372 CB LEU A 25 -2.731 0.863 6.240 1.00 0.00 C ATOM 373 CG LEU A 25 -3.291 0.031 5.094 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.563 0.904 3.881 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.333 -1.091 4.751 1.00 0.00 C ATOM 0 H LEU A 25 -2.413 2.050 8.449 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.849 2.679 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.799 1.322 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.483 0.194 7.064 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.238 -0.408 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.963 0.291 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.287 1.676 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.635 1.373 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.742 -1.681 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.373 -0.671 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.194 -1.730 5.623 1.00 0.00 H new ATOM 387 N GLU A 26 -5.216 1.348 8.507 1.00 0.00 N ATOM 388 CA GLU A 26 -6.420 0.745 9.058 1.00 0.00 C ATOM 389 C GLU A 26 -7.662 1.471 8.546 1.00 0.00 C ATOM 390 O GLU A 26 -7.650 2.692 8.353 1.00 0.00 O ATOM 391 CB GLU A 26 -6.374 0.761 10.586 1.00 0.00 C ATOM 392 CG GLU A 26 -6.485 2.146 11.195 1.00 0.00 C ATOM 393 CD GLU A 26 -6.702 2.096 12.690 1.00 0.00 C ATOM 394 OE1 GLU A 26 -7.870 2.010 13.119 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -5.711 2.138 13.442 1.00 0.00 O ATOM 0 H GLU A 26 -4.587 1.749 9.203 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.471 -0.293 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.184 0.141 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.440 0.305 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.577 2.710 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.311 2.682 10.727 1.00 0.00 H new ATOM 402 N TYR A 27 -8.725 0.723 8.314 1.00 0.00 N ATOM 403 CA TYR A 27 -9.924 1.283 7.714 1.00 0.00 C ATOM 404 C TYR A 27 -11.184 0.628 8.268 1.00 0.00 C ATOM 405 O TYR A 27 -11.118 -0.335 9.032 1.00 0.00 O ATOM 406 CB TYR A 27 -9.874 1.113 6.192 1.00 0.00 C ATOM 407 CG TYR A 27 -9.835 -0.331 5.746 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.629 -1.008 5.631 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.003 -1.021 5.455 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.589 -2.328 5.236 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.972 -2.343 5.063 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.762 -2.993 4.954 1.00 0.00 C ATOM 413 OH TYR A 27 -9.726 -4.313 4.570 1.00 0.00 O ATOM 0 H TYR A 27 -8.784 -0.272 8.531 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.960 2.344 7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.746 1.597 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.994 1.628 5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.707 -0.492 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.953 -0.514 5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.642 -2.839 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.891 -2.866 4.843 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.639 -4.632 4.410 1.00 0.00 H new ATOM 423 N GLU A 28 -12.324 1.150 7.846 1.00 0.00 N ATOM 424 CA GLU A 28 -13.620 0.643 8.261 1.00 0.00 C ATOM 425 C GLU A 28 -14.608 0.831 7.116 1.00 0.00 C ATOM 426 O GLU A 28 -14.732 1.928 6.574 1.00 0.00 O ATOM 427 CB GLU A 28 -14.093 1.380 9.516 1.00 0.00 C ATOM 428 CG GLU A 28 -15.423 0.890 10.059 1.00 0.00 C ATOM 429 CD GLU A 28 -15.823 1.602 11.331 1.00 0.00 C ATOM 430 OE1 GLU A 28 -16.361 2.728 11.248 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.599 1.042 12.425 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.376 1.940 7.203 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.548 -0.418 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.335 1.276 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.174 2.443 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.196 1.037 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.362 -0.182 10.249 1.00 0.00 H new ATOM 438 N LEU A 29 -15.288 -0.237 6.733 1.00 0.00 N ATOM 439 CA LEU A 29 -16.146 -0.203 5.557 1.00 0.00 C ATOM 440 C LEU A 29 -17.620 -0.231 5.927 1.00 0.00 C ATOM 441 O LEU A 29 -18.051 -1.038 6.752 1.00 0.00 O ATOM 442 CB LEU A 29 -15.836 -1.393 4.653 1.00 0.00 C ATOM 443 CG LEU A 29 -14.379 -1.515 4.220 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.191 -2.745 3.354 1.00 0.00 C ATOM 445 CD2 LEU A 29 -13.930 -0.265 3.483 1.00 0.00 C ATOM 0 H LEU A 29 -15.264 -1.135 7.216 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.944 0.732 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.122 -2.308 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.459 -1.324 3.761 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.761 -1.621 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.147 -2.821 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.470 -3.634 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.821 -2.666 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.888 -0.374 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.549 -0.123 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.031 0.600 4.139 1.00 0.00 H new ATOM 457 N SER A 30 -18.385 0.648 5.299 1.00 0.00 N ATOM 458 CA SER A 30 -19.832 0.639 5.428 1.00 0.00 C ATOM 459 C SER A 30 -20.429 -0.275 4.365 1.00 0.00 C ATOM 460 O SER A 30 -19.697 -0.791 3.520 1.00 0.00 O ATOM 461 CB SER A 30 -20.384 2.062 5.298 1.00 0.00 C ATOM 462 OG SER A 30 -19.973 2.667 4.082 1.00 0.00 O ATOM 0 H SER A 30 -18.023 1.382 4.690 1.00 0.00 H new ATOM 0 HA SER A 30 -20.107 0.260 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.473 2.037 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.043 2.665 6.140 1.00 0.00 H new ATOM 0 HG SER A 30 -20.342 3.573 4.026 1.00 0.00 H new ATOM 468 N GLN A 31 -21.739 -0.479 4.396 1.00 0.00 N ATOM 469 CA GLN A 31 -22.394 -1.361 3.435 1.00 0.00 C ATOM 470 C GLN A 31 -22.108 -0.908 2.007 1.00 0.00 C ATOM 471 O GLN A 31 -21.826 -1.722 1.129 1.00 0.00 O ATOM 472 CB GLN A 31 -23.903 -1.399 3.683 1.00 0.00 C ATOM 473 CG GLN A 31 -24.286 -1.998 5.028 1.00 0.00 C ATOM 474 CD GLN A 31 -23.827 -3.435 5.182 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.537 -4.369 4.815 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.644 -3.626 5.742 1.00 0.00 N ATOM 0 H GLN A 31 -22.369 -0.048 5.073 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.993 -2.366 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.298 -0.385 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.378 -1.976 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.852 -1.395 5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.369 -1.952 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.083 -2.826 6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.293 -4.573 5.882 1.00 0.00 H new ATOM 485 N GLN A 32 -22.150 0.400 1.797 1.00 0.00 N ATOM 486 CA GLN A 32 -21.884 0.980 0.495 1.00 0.00 C ATOM 487 C GLN A 32 -20.445 0.716 0.072 1.00 0.00 C ATOM 488 O GLN A 32 -20.182 0.353 -1.077 1.00 0.00 O ATOM 489 CB GLN A 32 -22.153 2.483 0.521 1.00 0.00 C ATOM 490 CG GLN A 32 -22.106 3.121 -0.854 1.00 0.00 C ATOM 491 CD GLN A 32 -23.075 2.465 -1.812 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.222 2.888 -1.947 1.00 0.00 O ATOM 493 NE2 GLN A 32 -22.626 1.407 -2.464 1.00 0.00 N ATOM 0 H GLN A 32 -22.369 1.083 2.522 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.550 0.512 -0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.132 2.663 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.418 2.966 1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.340 4.182 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.095 3.048 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.667 1.090 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.238 0.908 -3.109 1.00 0.00 H new ATOM 502 N GLU A 33 -19.521 0.881 1.007 1.00 0.00 N ATOM 503 CA GLU A 33 -18.111 0.649 0.733 1.00 0.00 C ATOM 504 C GLU A 33 -17.857 -0.831 0.486 1.00 0.00 C ATOM 505 O GLU A 33 -17.007 -1.202 -0.314 1.00 0.00 O ATOM 506 CB GLU A 33 -17.251 1.151 1.892 1.00 0.00 C ATOM 507 CG GLU A 33 -17.408 2.639 2.161 1.00 0.00 C ATOM 508 CD GLU A 33 -16.940 3.502 1.006 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.637 3.564 -0.024 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -15.871 4.134 1.130 1.00 0.00 O ATOM 0 H GLU A 33 -19.723 1.175 1.963 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.837 1.203 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.511 0.597 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.204 0.937 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.456 2.857 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.844 2.902 3.056 1.00 0.00 H new ATOM 517 N LYS A 34 -18.623 -1.680 1.148 1.00 0.00 N ATOM 518 CA LYS A 34 -18.463 -3.116 0.993 1.00 0.00 C ATOM 519 C LYS A 34 -19.007 -3.550 -0.357 1.00 0.00 C ATOM 520 O LYS A 34 -18.509 -4.489 -0.975 1.00 0.00 O ATOM 521 CB LYS A 34 -19.170 -3.861 2.127 1.00 0.00 C ATOM 522 CG LYS A 34 -18.494 -3.681 3.477 1.00 0.00 C ATOM 523 CD LYS A 34 -19.288 -4.331 4.598 1.00 0.00 C ATOM 524 CE LYS A 34 -18.605 -4.134 5.941 1.00 0.00 C ATOM 525 NZ LYS A 34 -19.408 -4.684 7.064 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.360 -1.402 1.796 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.402 -3.362 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.200 -3.512 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.208 -4.923 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.494 -4.113 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.375 -2.618 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.291 -3.905 4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.401 -5.396 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.628 -4.617 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.432 -3.071 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.904 -4.528 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.331 -4.206 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.552 -5.704 6.921 1.00 0.00 H new ATOM 539 N ASP A 35 -20.007 -2.820 -0.820 1.00 0.00 N ATOM 540 CA ASP A 35 -20.657 -3.108 -2.086 1.00 0.00 C ATOM 541 C ASP A 35 -19.753 -2.751 -3.260 1.00 0.00 C ATOM 542 O ASP A 35 -19.756 -3.432 -4.283 1.00 0.00 O ATOM 543 CB ASP A 35 -21.966 -2.325 -2.179 1.00 0.00 C ATOM 544 CG ASP A 35 -22.793 -2.709 -3.389 1.00 0.00 C ATOM 545 OD1 ASP A 35 -22.609 -2.095 -4.461 1.00 0.00 O ATOM 546 OD2 ASP A 35 -23.636 -3.625 -3.273 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.391 -2.012 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.865 -4.177 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.551 -2.495 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.744 -1.259 -2.219 1.00 0.00 H new ATOM 551 N VAL A 36 -18.971 -1.692 -3.108 1.00 0.00 N ATOM 552 CA VAL A 36 -18.107 -1.234 -4.187 1.00 0.00 C ATOM 553 C VAL A 36 -16.784 -1.996 -4.202 1.00 0.00 C ATOM 554 O VAL A 36 -16.138 -2.108 -5.241 1.00 0.00 O ATOM 555 CB VAL A 36 -17.828 0.285 -4.099 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.130 1.069 -4.114 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.016 0.628 -2.860 1.00 0.00 C ATOM 0 H VAL A 36 -18.917 -1.137 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.642 -1.432 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.240 0.566 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.913 2.135 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.669 0.862 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.743 0.773 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.837 1.703 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.566 0.325 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.062 0.102 -2.893 1.00 0.00 H new ATOM 567 N LEU A 37 -16.386 -2.523 -3.050 1.00 0.00 N ATOM 568 CA LEU A 37 -15.100 -3.203 -2.929 1.00 0.00 C ATOM 569 C LEU A 37 -15.239 -4.704 -3.127 1.00 0.00 C ATOM 570 O LEU A 37 -14.494 -5.308 -3.894 1.00 0.00 O ATOM 571 CB LEU A 37 -14.476 -2.901 -1.569 1.00 0.00 C ATOM 572 CG LEU A 37 -14.313 -1.412 -1.275 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.663 -1.195 0.075 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.512 -0.738 -2.370 1.00 0.00 C ATOM 0 H LEU A 37 -16.932 -2.493 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.446 -2.827 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.094 -3.349 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.498 -3.380 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.305 -0.961 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.558 -0.126 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.284 -1.639 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.679 -1.663 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.406 0.323 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.525 -1.196 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.028 -0.855 -3.323 1.00 0.00 H new ATOM 659 N LYS B 43 -0.276 8.912 13.532 1.00 0.00 N ATOM 660 CA LYS B 43 0.890 8.119 13.875 1.00 0.00 C ATOM 661 C LYS B 43 1.974 8.334 12.832 1.00 0.00 C ATOM 662 O LYS B 43 1.705 8.819 11.732 1.00 0.00 O ATOM 663 CB LYS B 43 0.538 6.626 13.963 1.00 0.00 C ATOM 664 CG LYS B 43 -0.605 6.313 14.920 1.00 0.00 C ATOM 665 CD LYS B 43 -1.961 6.509 14.256 1.00 0.00 C ATOM 666 CE LYS B 43 -3.073 6.651 15.276 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.267 5.412 16.075 1.00 0.00 N1+ ATOM 0 HA LYS B 43 1.251 8.440 14.852 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.274 6.267 12.968 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.423 6.073 14.277 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.516 5.285 15.270 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.532 6.956 15.797 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.931 7.397 13.625 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.172 5.661 13.604 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.845 7.481 15.945 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.003 6.900 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.037 5.557 16.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.510 4.625 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.389 5.187 16.585 1.00 0.00 H new ATOM 681 N THR B 44 3.192 7.988 13.185 1.00 0.00 N ATOM 682 CA THR B 44 4.304 8.113 12.272 1.00 0.00 C ATOM 683 C THR B 44 4.765 6.748 11.806 1.00 0.00 C ATOM 684 O THR B 44 4.403 5.727 12.395 1.00 0.00 O ATOM 685 CB THR B 44 5.475 8.860 12.917 1.00 0.00 C ATOM 686 OG1 THR B 44 5.648 8.436 14.275 1.00 0.00 O ATOM 687 CG2 THR B 44 5.243 10.356 12.863 1.00 0.00 C ATOM 0 H THR B 44 3.437 7.616 14.103 1.00 0.00 H new ATOM 0 HA THR B 44 3.959 8.689 11.413 1.00 0.00 H new ATOM 0 HB THR B 44 6.382 8.628 12.359 1.00 0.00 H new ATOM 0 HG1 THR B 44 6.401 8.920 14.675 1.00 0.00 H new ATOM 0 HG21 THR B 44 6.085 10.872 13.326 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.150 10.673 11.824 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.327 10.602 13.400 1.00 0.00 H new ATOM 695 N LEU B 45 5.564 6.732 10.759 1.00 0.00 N ATOM 696 CA LEU B 45 6.014 5.482 10.178 1.00 0.00 C ATOM 697 C LEU B 45 7.116 4.840 10.998 1.00 0.00 C ATOM 698 O LEU B 45 7.552 5.380 12.019 1.00 0.00 O ATOM 699 CB LEU B 45 6.479 5.688 8.740 1.00 0.00 C ATOM 700 CG LEU B 45 5.386 6.151 7.790 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.880 6.138 6.359 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.168 5.270 7.941 1.00 0.00 C ATOM 0 H LEU B 45 5.915 7.569 10.293 1.00 0.00 H new ATOM 0 HA LEU B 45 5.161 4.804 10.180 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.285 6.421 8.733 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.896 4.752 8.368 1.00 0.00 H new ATOM 0 HG LEU B 45 5.113 7.176 8.042 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.082 6.473 5.696 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.736 6.806 6.263 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.178 5.126 6.086 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.388 5.607 7.258 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.434 4.239 7.708 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.802 5.328 8.966 1.00 0.00 H new ATOM 714 N LYS B 46 7.572 3.697 10.533 1.00 0.00 N ATOM 715 CA LYS B 46 8.577 2.930 11.239 1.00 0.00 C ATOM 716 C LYS B 46 9.951 3.437 10.832 1.00 0.00 C ATOM 717 O LYS B 46 10.849 3.604 11.663 1.00 0.00 O ATOM 718 CB LYS B 46 8.445 1.441 10.898 1.00 0.00 C ATOM 719 CG LYS B 46 7.013 0.914 10.899 1.00 0.00 C ATOM 720 CD LYS B 46 6.312 1.098 12.233 1.00 0.00 C ATOM 721 CE LYS B 46 6.990 0.310 13.342 1.00 0.00 C ATOM 722 NZ LYS B 46 6.176 0.292 14.583 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.259 3.274 9.659 1.00 0.00 H new ATOM 0 HA LYS B 46 8.441 3.049 12.314 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.882 1.267 9.915 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.031 0.864 11.614 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.444 1.425 10.123 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.022 -0.145 10.643 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.300 2.156 12.494 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.273 0.780 12.144 1.00 0.00 H new ATOM 0 HE2 LYS B 46 7.164 -0.712 13.007 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.966 0.747 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 6.803 0.209 15.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 5.628 1.173 14.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 5.525 -0.519 14.560 1.00 0.00 H new ATOM 736 N THR B 47 10.089 3.694 9.543 1.00 0.00 N ATOM 737 CA THR B 47 11.311 4.235 8.985 1.00 0.00 C ATOM 738 C THR B 47 11.170 5.738 8.783 1.00 0.00 C ATOM 739 O THR B 47 10.198 6.203 8.197 1.00 0.00 O ATOM 740 CB THR B 47 11.624 3.578 7.631 1.00 0.00 C ATOM 741 OG1 THR B 47 11.608 2.152 7.764 1.00 0.00 O ATOM 742 CG2 THR B 47 12.975 4.037 7.111 1.00 0.00 C ATOM 0 H THR B 47 9.354 3.532 8.854 1.00 0.00 H new ATOM 0 HA THR B 47 12.124 4.029 9.682 1.00 0.00 H new ATOM 0 HB THR B 47 10.859 3.879 6.915 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.800 1.793 7.341 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.177 3.560 6.152 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.967 5.119 6.983 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.752 3.761 7.824 1.00 0.00 H new ATOM 750 N LYS B 48 12.144 6.495 9.268 1.00 0.00 N ATOM 751 CA LYS B 48 12.108 7.946 9.161 1.00 0.00 C ATOM 752 C LYS B 48 12.316 8.385 7.715 1.00 0.00 C ATOM 753 O LYS B 48 11.774 9.401 7.279 1.00 0.00 O ATOM 754 CB LYS B 48 13.170 8.562 10.068 1.00 0.00 C ATOM 755 CG LYS B 48 13.097 10.080 10.170 1.00 0.00 C ATOM 756 CD LYS B 48 11.714 10.570 10.597 1.00 0.00 C ATOM 757 CE LYS B 48 11.274 9.967 11.925 1.00 0.00 C ATOM 758 NZ LYS B 48 9.953 10.493 12.363 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.970 6.127 9.740 1.00 0.00 H new ATOM 0 HA LYS B 48 11.127 8.296 9.482 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.071 8.136 11.067 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.156 8.281 9.698 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.840 10.429 10.887 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.353 10.519 9.206 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.725 11.657 10.679 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.987 10.316 9.826 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.220 8.882 11.831 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.022 10.184 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.595 9.919 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.058 11.480 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.281 10.448 11.570 1.00 0.00 H new ATOM 772 N ALA B 49 13.097 7.605 6.977 1.00 0.00 N ATOM 773 CA ALA B 49 13.298 7.843 5.552 1.00 0.00 C ATOM 774 C ALA B 49 11.988 7.681 4.785 1.00 0.00 C ATOM 775 O ALA B 49 11.857 8.143 3.657 1.00 0.00 O ATOM 776 CB ALA B 49 14.356 6.900 5.002 1.00 0.00 C ATOM 0 H ALA B 49 13.603 6.799 7.343 1.00 0.00 H new ATOM 0 HA ALA B 49 13.644 8.869 5.422 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.495 7.090 3.938 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.298 7.065 5.526 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.035 5.869 5.148 1.00 0.00 H new ATOM 782 N PHE B 50 11.029 7.013 5.413 1.00 0.00 N ATOM 783 CA PHE B 50 9.695 6.847 4.851 1.00 0.00 C ATOM 784 C PHE B 50 8.737 7.863 5.463 1.00 0.00 C ATOM 785 O PHE B 50 7.951 8.503 4.761 1.00 0.00 O ATOM 786 CB PHE B 50 9.178 5.433 5.128 1.00 0.00 C ATOM 787 CG PHE B 50 9.677 4.383 4.177 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.953 4.445 3.641 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.854 3.331 3.818 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.397 3.473 2.764 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.291 2.357 2.942 1.00 0.00 C ATOM 792 CZ PHE B 50 10.564 2.428 2.414 1.00 0.00 C ATOM 0 H PHE B 50 11.154 6.572 6.324 1.00 0.00 H new ATOM 0 HA PHE B 50 9.751 7.006 3.774 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.462 5.150 6.142 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.089 5.446 5.094 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.607 5.261 3.911 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.857 3.270 4.228 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.394 3.531 2.353 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.638 1.541 2.671 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.908 1.668 1.728 1.00 0.00 H new ATOM 802 N ASP B 51 8.828 7.997 6.783 1.00 0.00 N ATOM 803 CA ASP B 51 7.948 8.869 7.557 1.00 0.00 C ATOM 804 C ASP B 51 7.986 10.300 7.039 1.00 0.00 C ATOM 805 O ASP B 51 6.967 10.992 7.024 1.00 0.00 O ATOM 806 CB ASP B 51 8.356 8.842 9.032 1.00 0.00 C ATOM 807 CG ASP B 51 7.444 9.672 9.903 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.224 9.408 9.915 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.954 10.570 10.604 1.00 0.00 O1- ATOM 0 H ASP B 51 9.517 7.502 7.349 1.00 0.00 H new ATOM 0 HA ASP B 51 6.929 8.498 7.450 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.352 7.811 9.387 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.378 9.209 9.129 1.00 0.00 H new ATOM 814 N ASP B 52 9.168 10.727 6.600 1.00 0.00 N ATOM 815 CA ASP B 52 9.361 12.075 6.069 1.00 0.00 C ATOM 816 C ASP B 52 8.339 12.391 4.985 1.00 0.00 C ATOM 817 O ASP B 52 7.702 13.438 5.012 1.00 0.00 O ATOM 818 CB ASP B 52 10.775 12.231 5.505 1.00 0.00 C ATOM 819 CG ASP B 52 11.031 13.622 4.955 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.282 14.547 5.758 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 10.993 13.798 3.717 1.00 0.00 O ATOM 0 H ASP B 52 10.012 10.154 6.602 1.00 0.00 H new ATOM 0 HA ASP B 52 9.222 12.777 6.891 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.501 12.014 6.288 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.930 11.497 4.714 1.00 0.00 H new ATOM 826 N ILE B 53 8.158 11.467 4.059 1.00 0.00 N ATOM 827 CA ILE B 53 7.244 11.678 2.948 1.00 0.00 C ATOM 828 C ILE B 53 5.800 11.664 3.424 1.00 0.00 C ATOM 829 O ILE B 53 4.997 12.486 2.995 1.00 0.00 O ATOM 830 CB ILE B 53 7.420 10.611 1.853 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.848 10.633 1.309 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.417 10.812 0.728 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.773 9.665 1.996 1.00 0.00 C ATOM 0 H ILE B 53 8.631 10.563 4.053 1.00 0.00 H new ATOM 0 HA ILE B 53 7.482 12.655 2.527 1.00 0.00 H new ATOM 0 HB ILE B 53 7.234 9.634 2.300 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.825 10.405 0.243 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.251 11.641 1.411 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.564 10.044 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.405 10.740 1.126 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.562 11.796 0.282 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.768 9.738 1.556 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.827 9.905 3.058 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.395 8.650 1.872 1.00 0.00 H new ATOM 845 N TYR B 54 5.483 10.743 4.325 1.00 0.00 N ATOM 846 CA TYR B 54 4.122 10.607 4.827 1.00 0.00 C ATOM 847 C TYR B 54 3.654 11.899 5.492 1.00 0.00 C ATOM 848 O TYR B 54 2.497 12.296 5.357 1.00 0.00 O ATOM 849 CB TYR B 54 4.019 9.444 5.816 1.00 0.00 C ATOM 850 CG TYR B 54 2.622 9.258 6.366 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.642 8.622 5.617 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.277 9.742 7.622 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.360 8.469 6.104 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.994 9.597 8.114 1.00 0.00 C ATOM 855 CZ TYR B 54 0.040 8.959 7.351 1.00 0.00 C ATOM 856 OH TYR B 54 -1.242 8.818 7.832 1.00 0.00 O ATOM 0 H TYR B 54 6.149 10.080 4.723 1.00 0.00 H new ATOM 0 HA TYR B 54 3.475 10.399 3.975 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.334 8.525 5.322 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.709 9.615 6.642 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.887 8.240 4.637 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.024 10.239 8.223 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.389 7.967 5.510 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.740 9.981 9.091 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.643 8.005 7.460 1.00 0.00 H new ATOM 866 N GLN B 55 4.561 12.559 6.198 1.00 0.00 N ATOM 867 CA GLN B 55 4.232 13.799 6.882 1.00 0.00 C ATOM 868 C GLN B 55 4.268 14.970 5.907 1.00 0.00 C ATOM 869 O GLN B 55 3.662 16.015 6.146 1.00 0.00 O ATOM 870 CB GLN B 55 5.208 14.059 8.033 1.00 0.00 C ATOM 871 CG GLN B 55 5.365 12.891 8.999 1.00 0.00 C ATOM 872 CD GLN B 55 4.047 12.401 9.569 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.088 13.163 9.710 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.995 11.123 9.912 1.00 0.00 N ATOM 0 H GLN B 55 5.528 12.256 6.311 1.00 0.00 H new ATOM 0 HA GLN B 55 3.225 13.702 7.289 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.185 14.305 7.617 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.870 14.933 8.590 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.859 12.067 8.484 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.018 13.192 9.819 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.811 10.526 9.779 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.139 10.736 10.309 1.00 0.00 H new ATOM 883 N ASN B 56 4.974 14.783 4.801 1.00 0.00 N ATOM 884 CA ASN B 56 5.194 15.855 3.840 1.00 0.00 C ATOM 885 C ASN B 56 4.513 15.586 2.504 1.00 0.00 C ATOM 886 O ASN B 56 5.018 15.985 1.451 1.00 0.00 O ATOM 887 CB ASN B 56 6.691 16.061 3.621 1.00 0.00 C ATOM 888 CG ASN B 56 7.351 16.759 4.793 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.394 17.986 4.853 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.872 15.985 5.728 1.00 0.00 N ATOM 0 H ASN B 56 5.406 13.895 4.546 1.00 0.00 H new ATOM 0 HA ASN B 56 4.750 16.758 4.259 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.169 15.095 3.460 1.00 0.00 H new ATOM 0 HB3 ASN B 56 6.847 16.648 2.716 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.331 16.402 6.538 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.815 14.970 5.640 1.00 0.00 H new ATOM 897 N SER B 57 3.383 14.900 2.538 1.00 0.00 N ATOM 898 CA SER B 57 2.619 14.648 1.329 1.00 0.00 C ATOM 899 C SER B 57 1.128 14.602 1.639 1.00 0.00 C ATOM 900 O SER B 57 0.620 13.615 2.173 1.00 0.00 O ATOM 901 CB SER B 57 3.064 13.342 0.664 1.00 0.00 C ATOM 902 OG SER B 57 2.437 13.175 -0.596 1.00 0.00 O ATOM 0 H SER B 57 2.976 14.509 3.387 1.00 0.00 H new ATOM 0 HA SER B 57 2.806 15.467 0.634 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.147 13.344 0.538 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.820 12.499 1.310 1.00 0.00 H new ATOM 0 HG SER B 57 3.027 12.666 -1.190 1.00 0.00 H new ATOM 908 N ALA B 58 0.432 15.679 1.313 1.00 0.00 N ATOM 909 CA ALA B 58 -1.003 15.746 1.525 1.00 0.00 C ATOM 910 C ALA B 58 -1.734 14.944 0.459 1.00 0.00 C ATOM 911 O ALA B 58 -2.780 14.354 0.717 1.00 0.00 O ATOM 912 CB ALA B 58 -1.471 17.190 1.522 1.00 0.00 C ATOM 0 H ALA B 58 0.838 16.519 0.900 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.232 15.312 2.499 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.549 17.224 1.682 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.968 17.737 2.320 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -1.232 17.648 0.562 1.00 0.00 H new ATOM 918 N GLU B 59 -1.157 14.910 -0.735 1.00 0.00 N ATOM 919 CA GLU B 59 -1.750 14.192 -1.855 1.00 0.00 C ATOM 920 C GLU B 59 -1.741 12.691 -1.586 1.00 0.00 C ATOM 921 O GLU B 59 -2.662 11.971 -1.955 1.00 0.00 O ATOM 922 CB GLU B 59 -0.981 14.495 -3.139 1.00 0.00 C ATOM 923 CG GLU B 59 -0.780 15.978 -3.397 1.00 0.00 C ATOM 924 CD GLU B 59 -2.083 16.742 -3.526 1.00 0.00 C ATOM 925 OE1 GLU B 59 -2.680 16.736 -4.623 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 -2.515 17.360 -2.528 1.00 0.00 O ATOM 0 H GLU B 59 -0.275 15.374 -0.953 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.782 14.522 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.007 14.009 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.515 14.058 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.194 16.406 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -0.199 16.106 -4.310 1.00 0.00 H new ATOM 933 N LEU B 60 -0.685 12.232 -0.936 1.00 0.00 N ATOM 934 CA LEU B 60 -0.565 10.831 -0.564 1.00 0.00 C ATOM 935 C LEU B 60 -1.510 10.519 0.601 1.00 0.00 C ATOM 936 O LEU B 60 -2.007 9.401 0.738 1.00 0.00 O ATOM 937 CB LEU B 60 0.902 10.532 -0.203 1.00 0.00 C ATOM 938 CG LEU B 60 1.338 9.059 -0.198 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.007 8.384 1.122 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.701 8.307 -1.356 1.00 0.00 C ATOM 0 H LEU B 60 0.105 12.812 -0.654 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.851 10.192 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.539 11.070 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.097 10.945 0.786 1.00 0.00 H new ATOM 0 HG LEU B 60 2.421 9.035 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.330 7.343 1.089 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.522 8.898 1.933 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.069 8.425 1.292 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.023 7.266 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.384 8.354 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.008 8.762 -2.298 1.00 0.00 H new ATOM 952 N GLN B 61 -1.782 11.532 1.416 1.00 0.00 N ATOM 953 CA GLN B 61 -2.643 11.373 2.581 1.00 0.00 C ATOM 954 C GLN B 61 -4.121 11.360 2.190 1.00 0.00 C ATOM 955 O GLN B 61 -4.906 10.614 2.772 1.00 0.00 O ATOM 956 CB GLN B 61 -2.363 12.486 3.598 1.00 0.00 C ATOM 957 CG GLN B 61 -3.266 12.469 4.829 1.00 0.00 C ATOM 958 CD GLN B 61 -3.247 11.150 5.591 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.220 10.792 6.251 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.153 10.414 5.499 1.00 0.00 N ATOM 0 H GLN B 61 -1.417 12.476 1.290 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.418 10.409 3.038 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.326 12.409 3.924 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.469 13.450 3.100 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.961 13.270 5.502 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -4.289 12.684 4.520 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.363 10.741 4.942 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.098 9.519 5.985 1.00 0.00 H new ATOM 969 N GLU B 62 -4.497 12.166 1.196 1.00 0.00 N ATOM 970 CA GLU B 62 -5.897 12.236 0.766 1.00 0.00 C ATOM 971 C GLU B 62 -6.354 10.885 0.226 1.00 0.00 C ATOM 972 O GLU B 62 -7.531 10.530 0.316 1.00 0.00 O ATOM 973 CB GLU B 62 -6.107 13.327 -0.295 1.00 0.00 C ATOM 974 CG GLU B 62 -5.432 13.036 -1.628 1.00 0.00 C ATOM 975 CD GLU B 62 -5.728 14.083 -2.683 1.00 0.00 C ATOM 976 OE1 GLU B 62 -5.842 15.275 -2.327 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -5.862 13.718 -3.874 1.00 0.00 O ATOM 0 H GLU B 62 -3.862 12.773 0.678 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.498 12.495 1.637 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.176 13.455 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.729 14.273 0.092 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.354 12.975 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.759 12.061 -1.990 1.00 0.00 H new ATOM 984 N LEU B 63 -5.409 10.137 -0.327 1.00 0.00 N ATOM 985 CA LEU B 63 -5.680 8.807 -0.841 1.00 0.00 C ATOM 986 C LEU B 63 -5.875 7.829 0.309 1.00 0.00 C ATOM 987 O LEU B 63 -6.747 6.965 0.265 1.00 0.00 O ATOM 988 CB LEU B 63 -4.532 8.356 -1.741 1.00 0.00 C ATOM 989 CG LEU B 63 -4.273 9.263 -2.943 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.915 8.968 -3.550 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.366 9.100 -3.985 1.00 0.00 C ATOM 0 H LEU B 63 -4.439 10.435 -0.430 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.597 8.831 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.622 8.296 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.744 7.349 -2.101 1.00 0.00 H new ATOM 0 HG LEU B 63 -4.280 10.297 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.748 9.624 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.138 9.139 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.881 7.929 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.162 9.755 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.393 8.065 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.329 9.363 -3.547 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.083 8.005 1.359 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.164 7.149 2.538 1.00 0.00 C ATOM 1005 C LEU B 64 -6.374 7.497 3.401 1.00 0.00 C ATOM 1006 O LEU B 64 -6.550 6.954 4.490 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.874 7.250 3.356 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.739 6.336 2.888 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.467 6.631 3.663 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.130 4.873 3.054 1.00 0.00 C ATOM 0 H LEU B 64 -4.374 8.736 1.419 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.287 6.121 2.197 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.524 8.282 3.329 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.102 7.018 4.396 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.556 6.529 1.831 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.670 5.973 3.318 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.175 7.669 3.502 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.641 6.464 4.726 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.312 4.237 2.716 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.339 4.669 4.104 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.020 4.665 2.460 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.205 8.410 2.917 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.462 8.709 3.582 1.00 0.00 C ATOM 1024 C LYS B 65 -9.599 7.944 2.920 1.00 0.00 C ATOM 1025 O LYS B 65 -10.689 7.824 3.479 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.757 10.210 3.561 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.707 11.054 4.268 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.439 10.571 5.688 1.00 0.00 C ATOM 1029 CE LYS B 65 -8.690 10.618 6.555 1.00 0.00 C ATOM 1030 NZ LYS B 65 -8.426 10.121 7.930 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.031 8.953 2.071 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.376 8.396 4.623 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.837 10.540 2.525 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.726 10.387 4.028 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -6.779 11.029 3.697 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.037 12.093 4.296 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.058 9.550 5.657 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -6.662 11.188 6.140 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.061 11.642 6.603 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.474 10.016 6.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -9.301 10.168 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.096 9.136 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -7.696 10.711 8.378 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.331 7.414 1.732 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.327 6.651 0.997 1.00 0.00 C ATOM 1046 C TYR B 66 -10.351 5.206 1.469 1.00 0.00 C ATOM 1047 O TYR B 66 -9.309 4.558 1.596 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.053 6.690 -0.506 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.257 8.045 -1.139 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.474 8.703 -1.033 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.234 8.665 -1.843 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.667 9.941 -1.612 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.419 9.903 -2.425 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.637 10.536 -2.307 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.829 11.770 -2.883 1.00 0.00 O ATOM 0 H TYR B 66 -8.431 7.500 1.259 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.297 7.109 1.189 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.027 6.369 -0.685 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.703 5.969 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.283 8.239 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.278 8.171 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.620 10.440 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.613 10.373 -2.970 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.006 12.052 -3.335 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.555 4.709 1.714 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.754 3.337 2.166 1.00 0.00 C ATOM 1067 C ASN B 67 -11.390 2.353 1.068 1.00 0.00 C ATOM 1068 O ASN B 67 -10.991 1.226 1.342 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.210 3.118 2.575 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.628 3.966 3.757 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.840 4.220 4.667 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.862 4.437 3.731 1.00 0.00 N ATOM 0 H ASN B 67 -12.418 5.241 1.606 1.00 0.00 H new ATOM 0 HA ASN B 67 -11.106 3.169 3.026 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.857 3.343 1.727 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.358 2.066 2.819 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -15.195 5.037 4.486 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.482 4.201 2.956 1.00 0.00 H new ATOM 1079 N THR B 68 -11.513 2.797 -0.174 1.00 0.00 N ATOM 1080 CA THR B 68 -11.256 1.952 -1.328 1.00 0.00 C ATOM 1081 C THR B 68 -9.759 1.754 -1.513 1.00 0.00 C ATOM 1082 O THR B 68 -9.295 0.685 -1.925 1.00 0.00 O ATOM 1083 CB THR B 68 -11.859 2.581 -2.598 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.265 2.792 -2.410 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.626 1.703 -3.821 1.00 0.00 C ATOM 0 H THR B 68 -11.793 3.749 -0.409 1.00 0.00 H new ATOM 0 HA THR B 68 -11.725 0.983 -1.157 1.00 0.00 H new ATOM 0 HB THR B 68 -11.362 3.535 -2.772 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.646 3.194 -3.218 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.065 2.178 -4.699 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.555 1.572 -3.976 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.091 0.730 -3.664 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.014 2.791 -1.186 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.570 2.765 -1.282 1.00 0.00 C ATOM 1095 C VAL B 69 -6.991 1.879 -0.196 1.00 0.00 C ATOM 1096 O VAL B 69 -6.339 0.872 -0.479 1.00 0.00 O ATOM 1097 CB VAL B 69 -6.998 4.185 -1.149 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.483 4.175 -1.198 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.560 5.071 -2.238 1.00 0.00 C ATOM 0 H VAL B 69 -9.393 3.675 -0.846 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.297 2.363 -2.258 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.294 4.584 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.109 5.194 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.096 3.568 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.152 3.756 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.150 6.076 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.290 4.665 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.646 5.112 -2.150 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.269 2.252 1.045 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.775 1.515 2.207 1.00 0.00 C ATOM 1111 C LYS B 70 -7.170 0.039 2.151 1.00 0.00 C ATOM 1112 O LYS B 70 -6.392 -0.827 2.539 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.286 2.141 3.507 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.706 3.518 3.792 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.033 3.989 5.203 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.510 4.306 5.375 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.836 4.667 6.782 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.838 3.066 1.277 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.687 1.576 2.186 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.372 2.217 3.461 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.048 1.477 4.338 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.624 3.491 3.659 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.098 4.234 3.070 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.743 3.219 5.918 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.443 4.876 5.434 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.785 5.129 4.715 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.105 3.444 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.867 4.744 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.474 3.931 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.394 5.578 7.018 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.370 -0.240 1.651 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.856 -1.613 1.529 1.00 0.00 C ATOM 1133 C PHE B 71 -7.910 -2.463 0.686 1.00 0.00 C ATOM 1134 O PHE B 71 -7.499 -3.547 1.097 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.253 -1.621 0.906 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.726 -2.974 0.454 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.182 -3.910 1.368 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.722 -3.303 -0.892 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.626 -5.148 0.947 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.162 -4.539 -1.319 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.616 -5.463 -0.399 1.00 0.00 C ATOM 0 H PHE B 71 -9.027 0.468 1.322 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.901 -2.043 2.529 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.963 -1.226 1.632 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.260 -0.944 0.052 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.190 -3.669 2.421 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.370 -2.583 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.981 -5.869 1.668 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.151 -4.783 -2.371 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.963 -6.431 -0.730 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.563 -1.958 -0.487 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.736 -2.706 -1.422 1.00 0.00 C ATOM 1153 C HIS B 72 -5.301 -2.802 -0.929 1.00 0.00 C ATOM 1154 O HIS B 72 -4.644 -3.825 -1.110 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.775 -2.059 -2.805 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.044 -2.322 -3.553 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.094 -1.431 -3.597 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.426 -3.384 -4.299 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.065 -1.936 -4.336 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.683 -3.118 -4.773 1.00 0.00 N ATOM 0 H HIS B 72 -7.841 -1.033 -0.815 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.140 -3.716 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.643 -0.982 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.934 -2.426 -3.393 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.118 -0.524 -3.132 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.847 -4.276 -4.486 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.012 -1.460 -4.546 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.827 -1.743 -0.293 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.466 -1.713 0.214 1.00 0.00 C ATOM 1171 C LEU B 73 -3.323 -2.627 1.428 1.00 0.00 C ATOM 1172 O LEU B 73 -2.279 -3.239 1.636 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.066 -0.282 0.575 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.135 0.729 -0.570 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.746 2.110 -0.071 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.235 0.307 -1.722 1.00 0.00 C ATOM 0 H LEU B 73 -5.364 -0.894 -0.116 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.799 -2.076 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.711 0.065 1.382 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.048 -0.295 0.964 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.160 0.763 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.798 2.822 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.431 2.418 0.719 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.729 2.082 0.321 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.302 1.042 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.204 0.242 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.554 -0.666 -2.095 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.378 -2.733 2.222 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.369 -3.623 3.375 1.00 0.00 C ATOM 1190 C ALA B 74 -4.278 -5.073 2.931 1.00 0.00 C ATOM 1191 O ALA B 74 -3.687 -5.905 3.616 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.604 -3.408 4.230 1.00 0.00 C ATOM 0 H ALA B 74 -5.248 -2.217 2.091 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.490 -3.390 3.976 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.576 -4.083 5.085 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.628 -2.377 4.582 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.496 -3.610 3.637 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.846 -5.367 1.768 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.817 -6.717 1.230 1.00 0.00 C ATOM 1200 C LYS B 75 -3.390 -7.140 0.897 1.00 0.00 C ATOM 1201 O LYS B 75 -3.058 -8.324 0.971 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.707 -6.832 -0.010 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.180 -6.585 0.280 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.051 -6.846 -0.940 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.022 -8.311 -1.344 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.967 -8.607 -2.452 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.331 -4.688 1.181 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.206 -7.388 1.996 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.367 -6.118 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.591 -7.826 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.501 -7.228 1.099 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.317 -5.555 0.610 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.077 -6.547 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.707 -6.232 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.011 -8.582 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.271 -8.929 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.913 -9.617 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.936 -8.374 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.715 -8.038 -3.285 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.543 -6.174 0.545 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.145 -6.478 0.267 1.00 0.00 C ATOM 1222 C VAL B 76 -0.355 -6.523 1.573 1.00 0.00 C ATOM 1223 O VAL B 76 0.590 -7.294 1.707 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.492 -5.476 -0.727 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.450 -5.146 -1.859 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.018 -4.202 -0.043 1.00 0.00 C ATOM 0 H VAL B 76 -2.797 -5.191 0.447 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.119 -7.455 -0.216 1.00 0.00 H new ATOM 0 HB VAL B 76 0.391 -5.966 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.975 -4.444 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.707 -6.059 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.356 -4.698 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.430 -3.537 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.866 -3.704 0.426 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.723 -4.451 0.717 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.778 -5.719 2.547 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.167 -5.719 3.874 1.00 0.00 C ATOM 1238 C TYR B 77 -0.284 -7.102 4.506 1.00 0.00 C ATOM 1239 O TYR B 77 0.647 -7.586 5.154 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.841 -4.659 4.754 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.419 -4.679 6.208 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.920 -4.750 6.568 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.368 -4.626 7.222 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.302 -4.766 7.897 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.995 -4.639 8.551 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.340 -4.709 8.883 1.00 0.00 C ATOM 1247 OH TYR B 77 0.714 -4.720 10.207 1.00 0.00 O ATOM 0 H TYR B 77 -1.546 -5.056 2.440 1.00 0.00 H new ATOM 0 HA TYR B 77 0.891 -5.475 3.784 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.625 -3.674 4.341 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.921 -4.797 4.702 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.676 -4.793 5.798 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.416 -4.574 6.966 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.348 -4.823 8.161 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.746 -4.595 9.326 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.085 -4.673 10.773 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.428 -7.738 4.280 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.668 -9.097 4.753 1.00 0.00 C ATOM 1259 C ARG B 78 -0.640 -10.052 4.162 1.00 0.00 C ATOM 1260 O ARG B 78 -0.241 -11.033 4.790 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.075 -9.533 4.368 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.132 -8.605 4.920 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.533 -9.082 4.602 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.543 -8.139 5.085 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.793 -8.070 4.625 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.214 -8.916 3.695 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.623 -7.158 5.108 1.00 0.00 N ATOM 0 H ARG B 78 -2.210 -7.330 3.768 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.573 -9.117 5.839 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.158 -9.570 3.282 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.254 -10.544 4.735 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -4.014 -8.524 6.001 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.988 -7.606 4.508 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.639 -9.210 3.525 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.698 -10.059 5.057 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.272 -7.490 5.824 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.581 -9.626 3.327 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.171 -8.857 3.348 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.306 -6.511 5.830 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.580 -7.103 4.758 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.211 -9.740 2.952 1.00 0.00 N ATOM 1282 CA ILE B 79 0.800 -10.527 2.264 1.00 0.00 C ATOM 1283 C ILE B 79 2.164 -10.331 2.914 1.00 0.00 C ATOM 1284 O ILE B 79 2.804 -11.300 3.314 1.00 0.00 O ATOM 1285 CB ILE B 79 0.897 -10.150 0.773 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.454 -10.336 0.087 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.964 -10.984 0.075 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.452 -9.898 -1.357 1.00 0.00 C ATOM 0 H ILE B 79 -0.551 -8.939 2.420 1.00 0.00 H new ATOM 0 HA ILE B 79 0.500 -11.572 2.342 1.00 0.00 H new ATOM 0 HB ILE B 79 1.181 -9.100 0.704 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.740 -11.386 0.141 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.211 -9.771 0.630 1.00 0.00 H new ATOM 0 HG21 ILE B 79 2.016 -10.702 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.931 -10.807 0.547 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.710 -12.041 0.155 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.441 -10.056 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.196 -8.840 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.282 -10.481 -1.913 1.00 0.00 H new ATOM 1300 N LEU B 80 2.593 -9.074 3.036 1.00 0.00 N ATOM 1301 CA LEU B 80 3.911 -8.765 3.593 1.00 0.00 C ATOM 1302 C LEU B 80 4.056 -9.285 5.017 1.00 0.00 C ATOM 1303 O LEU B 80 5.171 -9.509 5.486 1.00 0.00 O ATOM 1304 CB LEU B 80 4.212 -7.259 3.579 1.00 0.00 C ATOM 1305 CG LEU B 80 4.575 -6.643 2.221 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.476 -7.571 1.419 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.330 -6.275 1.440 1.00 0.00 C ATOM 0 H LEU B 80 2.050 -8.257 2.758 1.00 0.00 H new ATOM 0 HA LEU B 80 4.630 -9.271 2.949 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.340 -6.734 3.969 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.034 -7.069 4.270 1.00 0.00 H new ATOM 0 HG LEU B 80 5.132 -5.725 2.409 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.716 -7.108 0.462 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.396 -7.755 1.974 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.962 -8.517 1.245 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.616 -5.841 0.482 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.731 -7.169 1.268 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.746 -5.550 2.007 1.00 0.00 H new ATOM 1319 N SER B 81 2.943 -9.468 5.711 1.00 0.00 N ATOM 1320 CA SER B 81 2.997 -10.004 7.056 1.00 0.00 C ATOM 1321 C SER B 81 3.239 -11.511 7.008 1.00 0.00 C ATOM 1322 O SER B 81 4.189 -12.005 7.614 1.00 0.00 O ATOM 1323 CB SER B 81 1.700 -9.693 7.808 1.00 0.00 C ATOM 1324 OG SER B 81 1.772 -10.123 9.158 1.00 0.00 O ATOM 0 H SER B 81 2.006 -9.256 5.369 1.00 0.00 H new ATOM 0 HA SER B 81 3.823 -9.533 7.589 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.506 -8.621 7.775 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.863 -10.184 7.312 1.00 0.00 H new ATOM 0 HG SER B 81 0.931 -9.910 9.614 1.00 0.00 H new ATOM 1509 N LEU B 96 9.630 -13.994 -1.921 1.00 0.00 N ATOM 1510 CA LEU B 96 8.427 -14.427 -2.611 1.00 0.00 C ATOM 1511 C LEU B 96 7.255 -13.560 -2.165 1.00 0.00 C ATOM 1512 O LEU B 96 6.339 -13.284 -2.939 1.00 0.00 O ATOM 1513 CB LEU B 96 8.178 -15.935 -2.371 1.00 0.00 C ATOM 1514 CG LEU B 96 7.318 -16.335 -1.163 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.835 -16.212 -1.479 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.648 -17.759 -0.745 1.00 0.00 C ATOM 0 HA LEU B 96 8.546 -14.301 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU B 96 7.709 -16.344 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.148 -16.422 -2.268 1.00 0.00 H new ATOM 0 HG LEU B 96 7.544 -15.655 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.252 -16.502 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.604 -15.180 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.586 -16.866 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.035 -18.038 0.112 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.444 -18.438 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.702 -17.824 -0.474 1.00 0.00 H new ATOM 1528 N GLN B 97 7.311 -13.101 -0.916 1.00 0.00 N ATOM 1529 CA GLN B 97 6.281 -12.224 -0.375 1.00 0.00 C ATOM 1530 C GLN B 97 6.255 -10.902 -1.127 1.00 0.00 C ATOM 1531 O GLN B 97 5.184 -10.361 -1.398 1.00 0.00 O ATOM 1532 CB GLN B 97 6.510 -11.971 1.119 1.00 0.00 C ATOM 1533 CG GLN B 97 6.371 -13.216 1.985 1.00 0.00 C ATOM 1534 CD GLN B 97 4.933 -13.524 2.352 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.000 -13.077 1.532 1.00 0.00 O flip ATOM 1536 NE2 GLN B 97 4.659 -14.146 3.379 1.00 0.00 N flip ATOM 0 H GLN B 97 8.061 -13.324 -0.261 1.00 0.00 H new ATOM 0 HA GLN B 97 5.318 -12.720 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN B 97 7.507 -11.553 1.258 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.799 -11.220 1.463 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.796 -14.069 1.456 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.953 -13.084 2.897 1.00 0.00 H new ATOM 0 HE21 GLN B 97 5.406 -14.477 3.990 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.685 -14.331 3.619 1.00 0.00 H new ATOM 1545 N LYS B 98 7.439 -10.388 -1.461 1.00 0.00 N ATOM 1546 CA LYS B 98 7.541 -9.183 -2.279 1.00 0.00 C ATOM 1547 C LYS B 98 6.779 -9.363 -3.585 1.00 0.00 C ATOM 1548 O LYS B 98 5.980 -8.512 -3.967 1.00 0.00 O ATOM 1549 CB LYS B 98 9.001 -8.830 -2.594 1.00 0.00 C ATOM 1550 CG LYS B 98 9.673 -7.920 -1.574 1.00 0.00 C ATOM 1551 CD LYS B 98 10.121 -8.672 -0.335 1.00 0.00 C ATOM 1552 CE LYS B 98 10.852 -7.757 0.632 1.00 0.00 C ATOM 1553 NZ LYS B 98 11.449 -8.505 1.768 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.335 -10.786 -1.179 1.00 0.00 H new ATOM 0 HA LYS B 98 7.105 -8.366 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.575 -9.753 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.041 -8.349 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.535 -7.437 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.981 -7.129 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS B 98 9.254 -9.110 0.160 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.774 -9.496 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS B 98 11.637 -7.221 0.099 1.00 0.00 H new ATOM 0 HE3 LYS B 98 10.159 -7.008 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.938 -7.841 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.698 -8.996 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 12.130 -9.202 1.405 1.00 0.00 H new ATOM 1567 N GLU B 99 7.014 -10.492 -4.246 1.00 0.00 N ATOM 1568 CA GLU B 99 6.388 -10.776 -5.531 1.00 0.00 C ATOM 1569 C GLU B 99 4.870 -10.752 -5.410 1.00 0.00 C ATOM 1570 O GLU B 99 4.194 -10.034 -6.145 1.00 0.00 O ATOM 1571 CB GLU B 99 6.833 -12.141 -6.054 1.00 0.00 C ATOM 1572 CG GLU B 99 6.427 -12.402 -7.495 1.00 0.00 C ATOM 1573 CD GLU B 99 6.974 -11.365 -8.454 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.176 -11.437 -8.792 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.209 -10.479 -8.883 1.00 0.00 O1- ATOM 0 H GLU B 99 7.636 -11.227 -3.911 1.00 0.00 H new ATOM 0 HA GLU B 99 6.701 -10.002 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.917 -12.217 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.410 -12.920 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.779 -13.389 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.339 -12.417 -7.565 1.00 0.00 H new ATOM 1582 N LEU B 100 4.344 -11.536 -4.475 1.00 0.00 N ATOM 1583 CA LEU B 100 2.900 -11.629 -4.280 1.00 0.00 C ATOM 1584 C LEU B 100 2.302 -10.266 -3.954 1.00 0.00 C ATOM 1585 O LEU B 100 1.204 -9.936 -4.402 1.00 0.00 O ATOM 1586 CB LEU B 100 2.551 -12.624 -3.165 1.00 0.00 C ATOM 1587 CG LEU B 100 2.458 -14.098 -3.578 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.379 -14.295 -4.632 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.795 -14.609 -4.086 1.00 0.00 C ATOM 0 H LEU B 100 4.894 -12.116 -3.841 1.00 0.00 H new ATOM 0 HA LEU B 100 2.472 -11.988 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.301 -12.535 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.596 -12.329 -2.729 1.00 0.00 H new ATOM 0 HG LEU B 100 2.188 -14.676 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.330 -15.348 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.416 -13.981 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.617 -13.698 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.699 -15.657 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.103 -14.023 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.543 -14.514 -3.299 1.00 0.00 H new ATOM 1601 N ALA B 101 3.034 -9.476 -3.180 1.00 0.00 N ATOM 1602 CA ALA B 101 2.586 -8.144 -2.818 1.00 0.00 C ATOM 1603 C ALA B 101 2.507 -7.248 -4.053 1.00 0.00 C ATOM 1604 O ALA B 101 1.491 -6.595 -4.287 1.00 0.00 O ATOM 1605 CB ALA B 101 3.502 -7.545 -1.759 1.00 0.00 C ATOM 0 H ALA B 101 3.940 -9.737 -2.792 1.00 0.00 H new ATOM 0 HA ALA B 101 1.584 -8.216 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.152 -6.546 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.492 -8.176 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.518 -7.484 -2.149 1.00 0.00 H new ATOM 1611 N VAL B 102 3.569 -7.247 -4.861 1.00 0.00 N ATOM 1612 CA VAL B 102 3.603 -6.446 -6.086 1.00 0.00 C ATOM 1613 C VAL B 102 2.531 -6.915 -7.068 1.00 0.00 C ATOM 1614 O VAL B 102 1.965 -6.112 -7.811 1.00 0.00 O ATOM 1615 CB VAL B 102 4.985 -6.503 -6.782 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.015 -5.607 -8.012 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.091 -6.108 -5.819 1.00 0.00 C ATOM 0 H VAL B 102 4.415 -7.791 -4.690 1.00 0.00 H new ATOM 0 HA VAL B 102 3.409 -5.415 -5.790 1.00 0.00 H new ATOM 0 HB VAL B 102 5.153 -7.531 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.997 -5.666 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.254 -5.935 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.815 -4.577 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.053 -6.155 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.919 -5.092 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.097 -6.793 -4.971 1.00 0.00 H new ATOM 1627 N ASN B 103 2.247 -8.216 -7.051 1.00 0.00 N ATOM 1628 CA ASN B 103 1.215 -8.799 -7.911 1.00 0.00 C ATOM 1629 C ASN B 103 -0.118 -8.084 -7.731 1.00 0.00 C ATOM 1630 O ASN B 103 -0.871 -7.906 -8.687 1.00 0.00 O ATOM 1631 CB ASN B 103 1.043 -10.294 -7.621 1.00 0.00 C ATOM 1632 CG ASN B 103 1.855 -11.175 -8.551 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.375 -11.598 -9.601 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.093 -11.450 -8.185 1.00 0.00 N ATOM 0 H ASN B 103 2.719 -8.890 -6.449 1.00 0.00 H new ATOM 0 HA ASN B 103 1.541 -8.674 -8.944 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.337 -10.495 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN B 103 -0.011 -10.557 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.684 -12.030 -8.780 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.459 -11.082 -7.307 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.393 -7.655 -6.507 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.625 -6.946 -6.212 1.00 0.00 C ATOM 1643 C TYR B 104 -1.570 -5.530 -6.766 1.00 0.00 C ATOM 1644 O TYR B 104 -2.505 -5.081 -7.423 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.887 -6.923 -4.708 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.538 -8.182 -4.174 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.068 -9.443 -4.523 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.627 -8.105 -3.314 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.665 -10.590 -4.032 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.228 -9.245 -2.820 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.745 -10.485 -3.181 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.345 -11.623 -2.690 1.00 0.00 O ATOM 0 H TYR B 104 0.222 -7.787 -5.704 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.448 -7.474 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.942 -6.767 -4.188 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.524 -6.070 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.222 -9.528 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.010 -7.137 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.288 -11.562 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.074 -9.166 -2.153 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.090 -11.373 -2.104 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.458 -4.841 -6.530 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.286 -3.477 -7.030 1.00 0.00 C ATOM 1664 C LEU B 105 -0.369 -3.441 -8.552 1.00 0.00 C ATOM 1665 O LEU B 105 -0.856 -2.472 -9.132 1.00 0.00 O ATOM 1666 CB LEU B 105 1.048 -2.869 -6.574 1.00 0.00 C ATOM 1667 CG LEU B 105 1.113 -2.392 -5.114 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.069 -1.496 -4.785 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.172 -3.567 -4.155 1.00 0.00 C ATOM 0 H LEU B 105 0.335 -5.200 -5.999 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.097 -2.880 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.832 -3.610 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.278 -2.023 -7.221 1.00 0.00 H new ATOM 0 HG LEU B 105 2.029 -1.812 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.001 -1.171 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.058 -0.624 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.997 -2.049 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.217 -3.198 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.282 -4.184 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.059 -4.164 -4.365 1.00 0.00 H new ATOM 1681 N ASN B 106 0.097 -4.505 -9.193 1.00 0.00 N ATOM 1682 CA ASN B 106 0.037 -4.611 -10.648 1.00 0.00 C ATOM 1683 C ASN B 106 -1.407 -4.658 -11.130 1.00 0.00 C ATOM 1684 O ASN B 106 -1.744 -4.080 -12.161 1.00 0.00 O ATOM 1685 CB ASN B 106 0.795 -5.847 -11.136 1.00 0.00 C ATOM 1686 CG ASN B 106 2.299 -5.664 -11.093 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.812 -4.557 -11.279 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.021 -6.747 -10.853 1.00 0.00 N ATOM 0 H ASN B 106 0.521 -5.308 -8.729 1.00 0.00 H new ATOM 0 HA ASN B 106 0.513 -3.724 -11.066 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.519 -6.704 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.490 -6.076 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.038 -6.684 -10.817 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.560 -7.645 -10.704 1.00 0.00 H new ATOM 1695 N THR B 107 -2.262 -5.328 -10.370 1.00 0.00 N ATOM 1696 CA THR B 107 -3.671 -5.429 -10.726 1.00 0.00 C ATOM 1697 C THR B 107 -4.434 -4.179 -10.298 1.00 0.00 C ATOM 1698 O THR B 107 -5.620 -4.031 -10.601 1.00 0.00 O ATOM 1699 CB THR B 107 -4.335 -6.671 -10.093 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.302 -6.591 -8.660 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.642 -7.944 -10.551 1.00 0.00 C ATOM 0 H THR B 107 -2.007 -5.808 -9.507 1.00 0.00 H new ATOM 0 HA THR B 107 -3.714 -5.527 -11.811 1.00 0.00 H new ATOM 0 HB THR B 107 -5.374 -6.697 -10.421 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.631 -5.932 -8.385 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.126 -8.807 -10.093 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.708 -8.024 -11.636 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.594 -7.915 -10.253 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.745 -3.282 -9.591 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.373 -2.073 -9.080 1.00 0.00 C ATOM 1711 C LEU B 108 -3.987 -0.847 -9.902 1.00 0.00 C ATOM 1712 O LEU B 108 -4.555 0.231 -9.721 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.004 -1.850 -7.614 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.447 -2.954 -6.655 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.056 -2.611 -5.227 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.947 -3.184 -6.758 1.00 0.00 C ATOM 0 H LEU B 108 -2.755 -3.374 -9.362 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.451 -2.211 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.922 -1.741 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.443 -0.908 -7.285 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.939 -3.876 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.380 -3.409 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.973 -2.501 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.534 -1.676 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.242 -3.974 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.474 -2.264 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.201 -3.479 -7.776 1.00 0.00 H new ATOM 1728 N ARG B 109 -3.025 -1.010 -10.800 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.625 0.076 -11.687 1.00 0.00 C ATOM 1730 C ARG B 109 -3.385 -0.021 -13.006 1.00 0.00 C ATOM 1731 O ARG B 109 -4.061 -1.022 -13.252 1.00 0.00 O ATOM 1732 CB ARG B 109 -1.115 0.056 -11.932 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.292 0.338 -10.684 1.00 0.00 C ATOM 1734 CD ARG B 109 1.197 0.337 -10.986 1.00 0.00 C ATOM 1735 NE ARG B 109 2.004 0.629 -9.800 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.330 0.800 -9.820 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.997 0.729 -10.964 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.989 1.048 -8.695 1.00 0.00 N ATOM 0 H ARG B 109 -2.509 -1.879 -10.934 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.872 1.023 -11.207 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.833 -0.918 -12.331 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.869 0.796 -12.694 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.579 1.304 -10.268 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.511 -0.413 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.483 -0.635 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.409 1.076 -11.758 1.00 0.00 H new ATOM 0 HE ARG B 109 1.525 0.707 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.499 0.543 -11.834 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.008 0.860 -10.974 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.484 1.109 -7.811 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.001 1.178 -8.714 1.00 0.00 H new ATOM 1752 N TYR B 110 -3.277 1.015 -13.841 1.00 0.00 N ATOM 1753 CA TYR B 110 -4.015 1.081 -15.106 1.00 0.00 C ATOM 1754 C TYR B 110 -3.893 -0.215 -15.904 1.00 0.00 C ATOM 1755 O TYR B 110 -2.796 -0.751 -16.094 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.525 2.262 -15.950 1.00 0.00 C ATOM 1757 CG TYR B 110 -4.259 2.424 -17.262 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.573 2.871 -17.293 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.641 2.124 -18.469 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -6.250 3.018 -18.486 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.312 2.268 -19.668 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.616 2.715 -19.671 1.00 0.00 C ATOM 1763 OH TYR B 110 -6.287 2.857 -20.864 1.00 0.00 O ATOM 0 H TYR B 110 -2.682 1.824 -13.663 1.00 0.00 H new ATOM 0 HA TYR B 110 -5.067 1.224 -14.861 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.631 3.179 -15.370 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.462 2.134 -16.153 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -6.074 3.108 -16.366 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.620 1.773 -18.470 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -7.271 3.369 -18.491 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.817 2.032 -20.598 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.697 2.603 -21.604 1.00 0.00 H new ATOM 1773 N GLY B 111 -5.035 -0.707 -16.367 1.00 0.00 N ATOM 1774 CA GLY B 111 -5.071 -1.945 -17.112 1.00 0.00 C ATOM 1775 C GLY B 111 -5.056 -3.158 -16.207 1.00 0.00 C ATOM 1776 O GLY B 111 -4.309 -4.109 -16.441 1.00 0.00 O ATOM 0 H GLY B 111 -5.944 -0.263 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.967 -1.968 -17.732 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -4.215 -1.986 -17.786 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.872 -3.120 -15.164 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.966 -4.235 -14.255 1.00 0.00 C ATOM 1782 C GLY B 112 -7.390 -4.716 -14.111 1.00 0.00 C ATOM 1783 O GLY B 112 -8.268 -4.323 -14.878 1.00 0.00 O ATOM 0 H GLY B 112 -6.473 -2.329 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.340 -5.052 -14.614 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.580 -3.943 -13.279 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.620 -5.539 -13.107 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.926 -6.153 -12.900 1.00 0.00 C ATOM 1789 C ILE B 113 -9.763 -5.358 -11.905 1.00 0.00 C ATOM 1790 O ILE B 113 -10.943 -5.106 -12.133 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.783 -7.611 -12.417 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.802 -7.694 -11.241 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.319 -8.492 -13.564 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.623 -9.089 -10.687 1.00 0.00 C ATOM 0 H ILE B 113 -6.918 -5.802 -12.416 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.439 -6.150 -13.862 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.755 -7.966 -12.073 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.832 -7.315 -11.563 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.151 -7.039 -10.443 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.220 -9.520 -13.216 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.049 -8.451 -14.372 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.355 -8.138 -13.928 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.915 -9.064 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.582 -9.466 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.243 -9.745 -11.470 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.143 -4.950 -10.810 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.832 -4.187 -9.778 1.00 0.00 C ATOM 1808 C HIS B 114 -9.052 -2.917 -9.519 1.00 0.00 C ATOM 1809 O HIS B 114 -8.889 -2.486 -8.375 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.949 -4.993 -8.478 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.543 -6.355 -8.651 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.932 -7.500 -8.191 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.699 -6.754 -9.230 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.684 -8.543 -8.480 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.763 -8.120 -9.109 1.00 0.00 N ATOM 0 H HIS B 114 -8.160 -5.135 -10.611 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.840 -3.955 -10.121 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.958 -5.095 -8.037 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.557 -4.431 -7.769 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.434 -6.117 -9.700 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.455 -9.571 -8.242 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.521 -8.711 -9.450 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.563 -2.327 -10.594 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.640 -1.222 -10.486 1.00 0.00 C ATOM 1826 C TYR B 115 -8.371 0.071 -10.170 1.00 0.00 C ATOM 1827 O TYR B 115 -9.485 0.310 -10.634 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.789 -1.109 -11.760 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.096 0.072 -12.653 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.497 1.308 -12.431 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.964 -0.055 -13.725 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.759 2.386 -13.250 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.232 1.018 -14.551 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.628 2.236 -14.310 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.897 3.307 -15.131 1.00 0.00 O ATOM 0 H TYR B 115 -8.792 -2.598 -11.550 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.962 -1.413 -9.654 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.739 -1.058 -11.470 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.915 -2.023 -12.341 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.814 1.425 -11.602 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.438 -1.006 -13.917 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.288 3.340 -13.063 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.912 0.905 -15.383 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.528 3.033 -15.829 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.730 0.886 -9.359 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.300 2.140 -8.911 1.00 0.00 C ATOM 1847 C ASN B 116 -7.257 3.232 -9.037 1.00 0.00 C ATOM 1848 O ASN B 116 -6.109 3.053 -8.626 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.774 2.016 -7.459 1.00 0.00 C ATOM 1850 CG ASN B 116 -10.114 1.312 -7.339 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -11.163 1.953 -7.299 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.095 -0.013 -7.291 1.00 0.00 N ATOM 0 H ASN B 116 -6.798 0.698 -8.991 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.161 2.392 -9.530 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -8.028 1.469 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.850 3.011 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.969 -0.533 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -9.206 -0.512 -7.327 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.659 4.359 -9.609 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.731 5.443 -9.908 1.00 0.00 C ATOM 1861 C GLU B 117 -6.116 6.023 -8.640 1.00 0.00 C ATOM 1862 O GLU B 117 -5.028 6.589 -8.683 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.423 6.542 -10.718 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.700 7.065 -10.084 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.295 8.222 -10.855 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.952 7.980 -11.886 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -9.102 9.382 -10.436 1.00 0.00 O ATOM 0 H GLU B 117 -8.625 4.547 -9.876 1.00 0.00 H new ATOM 0 HA GLU B 117 -5.923 5.024 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.729 7.372 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -7.654 6.157 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.430 6.258 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.492 7.382 -9.062 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.800 5.868 -7.511 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.271 6.337 -6.242 1.00 0.00 C ATOM 1876 C ALA B 118 -5.088 5.482 -5.804 1.00 0.00 C ATOM 1877 O ALA B 118 -4.188 5.958 -5.117 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.352 6.345 -5.176 1.00 0.00 C ATOM 0 H ALA B 118 -7.716 5.424 -7.452 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.922 7.361 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.932 6.700 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.162 7.006 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.739 5.335 -5.043 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.085 4.220 -6.222 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.968 3.329 -5.941 1.00 0.00 C ATOM 1886 C ILE B 119 -2.802 3.680 -6.851 1.00 0.00 C ATOM 1887 O ILE B 119 -1.640 3.661 -6.441 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.327 1.842 -6.160 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.566 1.445 -5.349 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.141 0.963 -5.783 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.350 1.462 -3.852 1.00 0.00 C ATOM 0 H ILE B 119 -5.843 3.793 -6.755 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.707 3.463 -4.891 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.560 1.697 -7.215 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.383 2.123 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.880 0.445 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.400 -0.084 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.284 1.222 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.889 1.122 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -6.271 1.170 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.556 0.762 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -5.067 2.466 -3.537 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.131 4.004 -8.095 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.129 4.403 -9.068 1.00 0.00 C ATOM 1905 C GLU B 120 -1.468 5.707 -8.630 1.00 0.00 C ATOM 1906 O GLU B 120 -0.241 5.826 -8.646 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.764 4.544 -10.453 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.760 4.843 -11.549 1.00 0.00 C ATOM 1909 CD GLU B 120 -2.355 4.740 -12.933 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.082 5.666 -13.343 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -2.085 3.731 -13.620 1.00 0.00 O ATOM 0 H GLU B 120 -4.086 3.997 -8.452 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.360 3.633 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.293 3.623 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.507 5.341 -10.424 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.360 5.846 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.922 4.151 -11.466 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.288 6.671 -8.210 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.779 7.920 -7.655 1.00 0.00 C ATOM 1920 C GLU B 121 -0.933 7.641 -6.423 1.00 0.00 C ATOM 1921 O GLU B 121 0.149 8.203 -6.266 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.922 8.863 -7.280 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.680 9.421 -8.470 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.758 10.401 -8.056 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -4.418 11.520 -7.610 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -5.952 10.064 -8.180 1.00 0.00 O ATOM 0 H GLU B 121 -3.306 6.609 -8.245 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.167 8.399 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.621 8.331 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.519 9.692 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.981 9.916 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.132 8.601 -9.027 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.436 6.759 -5.560 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.728 6.362 -4.350 1.00 0.00 C ATOM 1935 C PHE B 122 0.684 5.927 -4.689 1.00 0.00 C ATOM 1936 O PHE B 122 1.651 6.450 -4.143 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.463 5.215 -3.656 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.822 4.770 -2.367 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.139 5.393 -1.170 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.100 3.735 -2.356 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.546 4.994 0.012 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.694 3.332 -1.176 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.371 3.962 0.009 1.00 0.00 C ATOM 0 H PHE B 122 -2.341 6.304 -5.681 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.689 7.219 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.488 5.524 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.515 4.365 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.858 6.199 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.357 3.238 -3.280 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.800 5.489 0.938 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.411 2.524 -1.180 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.835 3.648 0.932 1.00 0.00 H new ATOM 1953 N CYS B 123 0.787 4.975 -5.609 1.00 0.00 N ATOM 1954 CA CYS B 123 2.077 4.469 -6.047 1.00 0.00 C ATOM 1955 C CYS B 123 2.968 5.611 -6.516 1.00 0.00 C ATOM 1956 O CYS B 123 4.084 5.775 -6.032 1.00 0.00 O ATOM 1957 CB CYS B 123 1.896 3.458 -7.183 1.00 0.00 C ATOM 1958 SG CYS B 123 0.857 2.039 -6.762 1.00 0.00 S ATOM 0 H CYS B 123 -0.013 4.538 -6.066 1.00 0.00 H new ATOM 0 HA CYS B 123 2.553 3.974 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.461 3.969 -8.042 1.00 0.00 H new ATOM 0 HB3 CYS B 123 2.877 3.096 -7.491 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.328 2.454 -6.426 1.00 0.00 H new ATOM 1964 N GLN B 124 2.434 6.426 -7.416 1.00 0.00 N ATOM 1965 CA GLN B 124 3.223 7.454 -8.086 1.00 0.00 C ATOM 1966 C GLN B 124 3.695 8.538 -7.124 1.00 0.00 C ATOM 1967 O GLN B 124 4.881 8.844 -7.075 1.00 0.00 O ATOM 1968 CB GLN B 124 2.429 8.077 -9.234 1.00 0.00 C ATOM 1969 CG GLN B 124 2.161 7.108 -10.376 1.00 0.00 C ATOM 1970 CD GLN B 124 3.434 6.494 -10.927 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.501 7.113 -10.905 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.335 5.275 -11.428 1.00 0.00 N ATOM 0 H GLN B 124 1.455 6.396 -7.700 1.00 0.00 H new ATOM 0 HA GLN B 124 4.110 6.964 -8.487 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.478 8.447 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.975 8.939 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.500 6.315 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.637 7.631 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.435 4.795 -11.428 1.00 0.00 H new ATOM 0 HE22 GLN B 124 4.159 4.814 -11.814 1.00 0.00 H new ATOM 1981 N ILE B 125 2.774 9.111 -6.360 1.00 0.00 N ATOM 1982 CA ILE B 125 3.108 10.198 -5.440 1.00 0.00 C ATOM 1983 C ILE B 125 4.082 9.723 -4.366 1.00 0.00 C ATOM 1984 O ILE B 125 5.015 10.436 -3.990 1.00 0.00 O ATOM 1985 CB ILE B 125 1.839 10.754 -4.761 1.00 0.00 C ATOM 1986 CG1 ILE B 125 0.824 11.185 -5.820 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.184 11.926 -3.849 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.544 11.503 -5.257 1.00 0.00 C ATOM 0 H ILE B 125 1.790 8.844 -6.357 1.00 0.00 H new ATOM 0 HA ILE B 125 3.577 10.988 -6.026 1.00 0.00 H new ATOM 0 HB ILE B 125 1.399 9.965 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.206 12.063 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.727 10.392 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.275 12.303 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE B 125 2.879 11.594 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.645 12.720 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -1.210 11.801 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.948 10.620 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.461 12.317 -4.537 1.00 0.00 H new ATOM 2000 N LEU B 126 3.862 8.509 -3.896 1.00 0.00 N ATOM 2001 CA LEU B 126 4.667 7.925 -2.838 1.00 0.00 C ATOM 2002 C LEU B 126 6.072 7.595 -3.338 1.00 0.00 C ATOM 2003 O LEU B 126 7.065 8.097 -2.804 1.00 0.00 O ATOM 2004 CB LEU B 126 3.951 6.672 -2.327 1.00 0.00 C ATOM 2005 CG LEU B 126 4.560 5.952 -1.131 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.419 4.791 -1.580 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.349 6.911 -0.246 1.00 0.00 C ATOM 0 H LEU B 126 3.119 7.899 -4.237 1.00 0.00 H new ATOM 0 HA LEU B 126 4.782 8.639 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU B 126 2.930 6.951 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU B 126 3.888 5.961 -3.151 1.00 0.00 H new ATOM 0 HG LEU B 126 3.741 5.553 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.843 4.293 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.809 4.083 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.225 5.159 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.770 6.364 0.598 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.155 7.361 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.687 7.694 0.123 1.00 0.00 H new ATOM 2019 N LEU B 127 6.148 6.761 -4.366 1.00 0.00 N ATOM 2020 CA LEU B 127 7.436 6.342 -4.914 1.00 0.00 C ATOM 2021 C LEU B 127 8.230 7.550 -5.394 1.00 0.00 C ATOM 2022 O LEU B 127 9.459 7.550 -5.347 1.00 0.00 O ATOM 2023 CB LEU B 127 7.263 5.318 -6.058 1.00 0.00 C ATOM 2024 CG LEU B 127 6.817 5.862 -7.428 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.009 6.354 -8.241 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.063 4.793 -8.204 1.00 0.00 C ATOM 0 H LEU B 127 5.337 6.361 -4.838 1.00 0.00 H new ATOM 0 HA LEU B 127 7.991 5.852 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.212 4.799 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.535 4.573 -5.737 1.00 0.00 H new ATOM 0 HG LEU B 127 6.153 6.708 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.662 6.732 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.515 7.153 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.703 5.530 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.755 5.194 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.711 3.931 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.182 4.488 -7.640 1.00 0.00 H new ATOM 2038 N ASP B 128 7.515 8.573 -5.847 1.00 0.00 N ATOM 2039 CA ASP B 128 8.129 9.791 -6.365 1.00 0.00 C ATOM 2040 C ASP B 128 9.082 10.389 -5.347 1.00 0.00 C ATOM 2041 O ASP B 128 10.231 10.697 -5.656 1.00 0.00 O ATOM 2042 CB ASP B 128 7.043 10.809 -6.701 1.00 0.00 C ATOM 2043 CG ASP B 128 7.559 11.983 -7.512 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.664 11.856 -8.749 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 7.849 13.047 -6.919 1.00 0.00 O ATOM 0 H ASP B 128 6.495 8.582 -5.866 1.00 0.00 H new ATOM 0 HA ASP B 128 8.692 9.538 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.247 10.313 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.602 11.180 -5.776 1.00 0.00 H new ATOM 2050 N LYS B 129 8.605 10.519 -4.121 1.00 0.00 N ATOM 2051 CA LYS B 129 9.380 11.157 -3.073 1.00 0.00 C ATOM 2052 C LYS B 129 10.407 10.193 -2.491 1.00 0.00 C ATOM 2053 O LYS B 129 11.456 10.614 -2.005 1.00 0.00 O ATOM 2054 CB LYS B 129 8.458 11.682 -1.975 1.00 0.00 C ATOM 2055 CG LYS B 129 7.295 12.514 -2.497 1.00 0.00 C ATOM 2056 CD LYS B 129 7.758 13.568 -3.488 1.00 0.00 C ATOM 2057 CE LYS B 129 6.582 14.292 -4.115 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.999 15.088 -5.297 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.685 10.191 -3.828 1.00 0.00 H new ATOM 0 HA LYS B 129 9.916 11.999 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.064 10.838 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.042 12.286 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.566 11.860 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.790 12.998 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.402 14.287 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.356 13.098 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.824 13.567 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.122 14.949 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.214 15.700 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 7.820 15.676 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.256 14.447 -6.074 1.00 0.00 H new ATOM 2072 N LEU B 130 10.104 8.900 -2.548 1.00 0.00 N ATOM 2073 CA LEU B 130 11.042 7.878 -2.092 1.00 0.00 C ATOM 2074 C LEU B 130 12.226 7.774 -3.043 1.00 0.00 C ATOM 2075 O LEU B 130 13.355 7.544 -2.619 1.00 0.00 O ATOM 2076 CB LEU B 130 10.347 6.523 -1.956 1.00 0.00 C ATOM 2077 CG LEU B 130 9.340 6.432 -0.808 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.582 5.123 -0.868 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.047 6.559 0.531 1.00 0.00 C ATOM 0 H LEU B 130 9.220 8.535 -2.904 1.00 0.00 H new ATOM 0 HA LEU B 130 11.412 8.173 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.833 6.299 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.106 5.753 -1.817 1.00 0.00 H new ATOM 0 HG LEU B 130 8.631 7.253 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.870 5.076 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.046 5.056 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.283 4.292 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.316 6.492 1.336 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.776 5.755 0.635 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.557 7.521 0.583 1.00 0.00 H new ATOM 2091 N ASN B 131 11.972 7.966 -4.329 1.00 0.00 N ATOM 2092 CA ASN B 131 13.040 7.966 -5.322 1.00 0.00 C ATOM 2093 C ASN B 131 13.726 9.321 -5.357 1.00 0.00 C ATOM 2094 O ASN B 131 14.767 9.490 -5.992 1.00 0.00 O ATOM 2095 CB ASN B 131 12.510 7.616 -6.716 1.00 0.00 C ATOM 2096 CG ASN B 131 12.251 6.131 -6.890 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.147 5.373 -7.253 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.024 5.705 -6.644 1.00 0.00 N ATOM 0 H ASN B 131 11.039 8.123 -4.710 1.00 0.00 H new ATOM 0 HA ASN B 131 13.762 7.202 -5.032 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.586 8.165 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.229 7.945 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.796 4.717 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.306 6.364 -6.344 1.00 0.00 H new ATOM 2105 N ALA B 132 13.139 10.286 -4.661 1.00 0.00 N ATOM 2106 CA ALA B 132 13.692 11.628 -4.605 1.00 0.00 C ATOM 2107 C ALA B 132 14.545 11.822 -3.362 1.00 0.00 C ATOM 2108 O ALA B 132 15.063 12.910 -3.115 1.00 0.00 O ATOM 2109 CB ALA B 132 12.580 12.661 -4.653 1.00 0.00 C ATOM 0 H ALA B 132 12.279 10.162 -4.127 1.00 0.00 H new ATOM 0 HA ALA B 132 14.334 11.763 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.011 13.661 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.018 12.547 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA B 132 11.912 12.517 -3.804 1.00 0.00 H new