USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 34:sc= 0.695 USER MOD Set 1.2: A 63 THR OG1 : rot -175:sc= 0.701 USER MOD Set 1.3: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.145 F(o=-1.3,f=-0.14) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 18 GLN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.18) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 2.07 (180deg=1.63) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= 1.33 (180deg=0.708) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 2.52 (180deg=2.42) USER MOD Single : A 62 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 65 SER OG : rot 22:sc= 1.23 USER MOD Single : A 67 ASN : amide:sc= -0.423 K(o=-0.42,f=-8.6!) USER MOD Single : A 71 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.321 (180deg=-0.7) USER MOD Single : A 81 ASN : amide:sc=-0.00595 X(o=-0.0059,f=-0.0039) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 86 CYS SG : rot 180:sc= -2.97! USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0194) USER MOD Single : A 88 MET CE :methyl 167:sc= -0.0698 (180deg=-0.411) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= -0.059 (180deg=-0.13) USER MOD Single : A 93 MET CE :methyl 161:sc= -2.14 (180deg=-2.77) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.554 1.724 -6.747 1.00 0.00 N ATOM 94 CA GLU A 9 5.154 1.503 -7.025 1.00 0.00 C ATOM 95 C GLU A 9 4.955 0.050 -7.466 1.00 0.00 C ATOM 96 O GLU A 9 3.906 -0.557 -7.213 1.00 0.00 O ATOM 97 CB GLU A 9 4.689 2.499 -8.091 1.00 0.00 C ATOM 98 CG GLU A 9 3.182 2.608 -8.263 1.00 0.00 C ATOM 99 CD GLU A 9 2.789 3.543 -9.390 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.145 4.748 -9.358 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.128 3.097 -10.340 1.00 0.00 O ATOM 0 HA GLU A 9 4.550 1.667 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.082 3.484 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.128 2.214 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.770 1.618 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.739 2.961 -7.332 1.00 0.00 H new ATOM 108 N TRP A 10 5.995 -0.511 -8.087 1.00 0.00 N ATOM 109 CA TRP A 10 6.011 -1.902 -8.490 1.00 0.00 C ATOM 110 C TRP A 10 5.872 -2.818 -7.285 1.00 0.00 C ATOM 111 O TRP A 10 5.098 -3.771 -7.324 1.00 0.00 O ATOM 112 CB TRP A 10 7.295 -2.263 -9.275 1.00 0.00 C ATOM 113 CG TRP A 10 7.432 -3.731 -9.554 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.897 -4.414 -10.588 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.136 -4.696 -8.759 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.211 -5.745 -10.491 1.00 0.00 N ATOM 117 CE2 TRP A 10 7.972 -5.942 -9.375 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.884 -4.617 -7.585 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.523 -7.107 -8.854 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.429 -5.766 -7.070 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.248 -6.998 -7.704 1.00 0.00 C ATOM 0 H TRP A 10 6.848 -0.004 -8.321 1.00 0.00 H new ATOM 0 HA TRP A 10 5.157 -2.048 -9.152 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.299 -1.720 -10.220 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.164 -1.926 -8.710 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.306 -3.975 -11.378 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.923 -6.471 -11.147 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.032 -3.669 -7.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.383 -8.061 -9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.008 -5.717 -6.159 1.00 0.00 H new ATOM 0 HH2 TRP A 10 9.692 -7.884 -7.274 1.00 0.00 H new ATOM 132 N THR A 11 6.621 -2.556 -6.220 1.00 0.00 N ATOM 133 CA THR A 11 6.544 -3.416 -5.063 1.00 0.00 C ATOM 134 C THR A 11 5.130 -3.392 -4.490 1.00 0.00 C ATOM 135 O THR A 11 4.558 -4.438 -4.195 1.00 0.00 O ATOM 136 CB THR A 11 7.588 -3.060 -3.983 1.00 0.00 C ATOM 137 OG1 THR A 11 8.880 -2.914 -4.598 1.00 0.00 O ATOM 138 CG2 THR A 11 7.663 -4.188 -2.963 1.00 0.00 C ATOM 0 H THR A 11 7.271 -1.774 -6.140 1.00 0.00 H new ATOM 0 HA THR A 11 6.781 -4.428 -5.392 1.00 0.00 H new ATOM 0 HB THR A 11 7.298 -2.130 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.544 -2.686 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.400 -3.939 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.687 -4.322 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.956 -5.111 -3.463 1.00 0.00 H new ATOM 146 N LEU A 12 4.558 -2.199 -4.431 1.00 0.00 N ATOM 147 CA LEU A 12 3.193 -2.013 -3.978 1.00 0.00 C ATOM 148 C LEU A 12 2.218 -2.816 -4.810 1.00 0.00 C ATOM 149 O LEU A 12 1.482 -3.646 -4.276 1.00 0.00 O ATOM 150 CB LEU A 12 2.812 -0.548 -4.042 1.00 0.00 C ATOM 151 CG LEU A 12 3.382 0.349 -2.972 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.018 1.800 -3.257 1.00 0.00 C ATOM 153 CD2 LEU A 12 2.845 -0.071 -1.612 1.00 0.00 C ATOM 0 H LEU A 12 5.029 -1.334 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 12 3.142 -2.364 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.121 -0.159 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.725 -0.477 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 12 4.468 0.257 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.434 2.439 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.425 2.094 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.933 1.907 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.259 0.579 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.758 0.009 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.133 -1.103 -1.410 1.00 0.00 H new ATOM 165 N GLN A 13 2.243 -2.597 -6.124 1.00 0.00 N ATOM 166 CA GLN A 13 1.318 -3.266 -7.018 1.00 0.00 C ATOM 167 C GLN A 13 1.470 -4.778 -6.925 1.00 0.00 C ATOM 168 O GLN A 13 0.511 -5.461 -6.748 1.00 0.00 O ATOM 169 CB GLN A 13 1.446 -2.760 -8.479 1.00 0.00 C ATOM 170 CG GLN A 13 2.751 -3.089 -9.156 1.00 0.00 C ATOM 171 CD GLN A 13 2.868 -2.551 -10.570 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.229 -1.441 -10.853 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.545 -3.135 -11.409 1.00 0.00 N flip ATOM 0 H GLN A 13 2.894 -1.962 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 13 0.309 -3.013 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.632 -3.184 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.313 -1.678 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.569 -2.689 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.873 -4.172 -9.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.032 -3.997 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.622 -2.759 -12.354 1.00 0.00 H new ATOM 182 N THR A 14 2.694 -5.257 -6.926 1.00 0.00 N ATOM 183 CA THR A 14 2.976 -6.677 -6.889 1.00 0.00 C ATOM 184 C THR A 14 2.460 -7.338 -5.595 1.00 0.00 C ATOM 185 O THR A 14 1.932 -8.447 -5.631 1.00 0.00 O ATOM 186 CB THR A 14 4.478 -6.896 -7.076 1.00 0.00 C ATOM 187 OG1 THR A 14 4.852 -6.249 -8.301 1.00 0.00 O ATOM 188 CG2 THR A 14 4.832 -8.368 -7.184 1.00 0.00 C ATOM 0 H THR A 14 3.528 -4.670 -6.953 1.00 0.00 H new ATOM 0 HA THR A 14 2.441 -7.160 -7.706 1.00 0.00 H new ATOM 0 HB THR A 14 5.004 -6.491 -6.211 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.218 -5.362 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.909 -8.475 -7.316 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.525 -8.884 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.317 -8.804 -8.040 1.00 0.00 H new ATOM 196 N LEU A 15 2.578 -6.650 -4.475 1.00 0.00 N ATOM 197 CA LEU A 15 2.071 -7.172 -3.214 1.00 0.00 C ATOM 198 C LEU A 15 0.549 -7.183 -3.238 1.00 0.00 C ATOM 199 O LEU A 15 -0.086 -8.191 -2.935 1.00 0.00 O ATOM 200 CB LEU A 15 2.565 -6.314 -2.053 1.00 0.00 C ATOM 201 CG LEU A 15 4.083 -6.295 -1.827 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.462 -5.154 -0.900 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.549 -7.609 -1.218 1.00 0.00 C ATOM 0 H LEU A 15 3.018 -5.732 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 15 2.436 -8.190 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.229 -5.290 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.086 -6.665 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 15 4.568 -6.156 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.541 -5.152 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.156 -4.207 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.961 -5.283 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.628 -7.577 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.051 -7.763 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.302 -8.430 -1.891 1.00 0.00 H new ATOM 215 N LEU A 16 -0.020 -6.086 -3.674 1.00 0.00 N ATOM 216 CA LEU A 16 -1.458 -5.911 -3.703 1.00 0.00 C ATOM 217 C LEU A 16 -2.123 -6.737 -4.832 1.00 0.00 C ATOM 218 O LEU A 16 -3.309 -6.997 -4.801 1.00 0.00 O ATOM 219 CB LEU A 16 -1.789 -4.420 -3.816 1.00 0.00 C ATOM 220 CG LEU A 16 -1.241 -3.520 -2.689 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.494 -2.060 -2.990 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.855 -3.880 -1.350 1.00 0.00 C ATOM 0 H LEU A 16 0.502 -5.282 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.872 -6.292 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.403 -4.053 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.873 -4.310 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.165 -3.688 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.098 -1.448 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.000 -1.790 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.566 -1.888 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.449 -3.228 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.936 -3.754 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.622 -4.917 -1.110 1.00 0.00 H new ATOM 234 N GLU A 17 -1.363 -7.116 -5.844 1.00 0.00 N ATOM 235 CA GLU A 17 -1.882 -7.991 -6.897 1.00 0.00 C ATOM 236 C GLU A 17 -1.842 -9.444 -6.437 1.00 0.00 C ATOM 237 O GLU A 17 -2.384 -10.337 -7.090 1.00 0.00 O ATOM 238 CB GLU A 17 -1.139 -7.810 -8.233 1.00 0.00 C ATOM 239 CG GLU A 17 -1.351 -6.444 -8.890 1.00 0.00 C ATOM 240 CD GLU A 17 -0.656 -6.334 -10.231 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.134 -6.950 -11.212 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.388 -5.659 -10.335 1.00 0.00 O ATOM 0 H GLU A 17 -0.389 -6.837 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.918 -7.706 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.072 -7.958 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.464 -8.587 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.419 -6.269 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.980 -5.663 -8.226 1.00 0.00 H new ATOM 249 N GLN A 18 -1.202 -9.665 -5.310 1.00 0.00 N ATOM 250 CA GLN A 18 -1.155 -10.963 -4.686 1.00 0.00 C ATOM 251 C GLN A 18 -2.180 -11.028 -3.558 1.00 0.00 C ATOM 252 O GLN A 18 -2.948 -11.973 -3.464 1.00 0.00 O ATOM 253 CB GLN A 18 0.263 -11.282 -4.205 1.00 0.00 C ATOM 254 CG GLN A 18 1.227 -11.563 -5.353 1.00 0.00 C ATOM 255 CD GLN A 18 2.650 -11.778 -4.898 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.066 -12.892 -4.607 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.407 -10.719 -4.853 1.00 0.00 N ATOM 0 H GLN A 18 -0.696 -8.941 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.416 -11.728 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.639 -10.445 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.231 -12.147 -3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.889 -12.446 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.199 -10.729 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.024 -9.807 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.383 -10.801 -4.568 1.00 0.00 H new ATOM 266 N LEU A 19 -2.223 -9.999 -2.732 1.00 0.00 N ATOM 267 CA LEU A 19 -3.209 -9.922 -1.672 1.00 0.00 C ATOM 268 C LEU A 19 -4.336 -9.009 -2.163 1.00 0.00 C ATOM 269 O LEU A 19 -4.116 -7.848 -2.426 1.00 0.00 O ATOM 270 CB LEU A 19 -2.566 -9.357 -0.369 1.00 0.00 C ATOM 271 CG LEU A 19 -2.401 -7.824 -0.266 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.536 -7.180 0.509 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.063 -7.400 0.244 1.00 0.00 C ATOM 0 H LEU A 19 -1.585 -9.204 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.599 -10.912 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.170 -9.689 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.581 -9.810 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.455 -7.454 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.379 -6.102 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.482 -7.387 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.564 -7.587 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.019 -6.312 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.906 -7.812 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.285 -7.767 -0.426 1.00 0.00 H new ATOM 285 N ASN A 20 -5.506 -9.534 -2.362 1.00 0.00 N ATOM 286 CA ASN A 20 -6.609 -8.700 -2.818 1.00 0.00 C ATOM 287 C ASN A 20 -7.953 -9.348 -2.678 1.00 0.00 C ATOM 288 O ASN A 20 -8.821 -8.758 -2.052 1.00 0.00 O ATOM 289 CB ASN A 20 -6.395 -8.124 -4.243 1.00 0.00 C ATOM 290 CG ASN A 20 -6.076 -9.176 -5.277 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.949 -9.694 -5.966 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.830 -9.522 -5.348 1.00 0.00 N ATOM 0 H ASN A 20 -5.734 -10.518 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.607 -7.852 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.293 -7.587 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.584 -7.397 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.540 -10.254 -5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.139 -9.063 -4.755 1.00 0.00 H new ATOM 299 N GLU A 21 -8.062 -10.603 -3.142 1.00 0.00 N ATOM 300 CA GLU A 21 -9.324 -11.376 -3.258 1.00 0.00 C ATOM 301 C GLU A 21 -10.357 -11.039 -2.170 1.00 0.00 C ATOM 302 O GLU A 21 -11.375 -10.401 -2.454 1.00 0.00 O ATOM 303 CB GLU A 21 -8.996 -12.858 -3.316 1.00 0.00 C ATOM 304 CG GLU A 21 -10.174 -13.763 -3.554 1.00 0.00 C ATOM 305 CD GLU A 21 -9.728 -15.110 -4.011 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.550 -15.298 -5.226 1.00 0.00 O ATOM 307 OE2 GLU A 21 -9.520 -15.999 -3.178 1.00 0.00 O ATOM 0 H GLU A 21 -7.250 -11.132 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.814 -11.083 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.266 -13.022 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.520 -13.146 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.754 -13.860 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.832 -13.321 -4.302 1.00 0.00 H new ATOM 314 N ASP A 22 -10.108 -11.439 -0.953 1.00 0.00 N ATOM 315 CA ASP A 22 -10.944 -10.991 0.165 1.00 0.00 C ATOM 316 C ASP A 22 -10.076 -10.326 1.169 1.00 0.00 C ATOM 317 O ASP A 22 -10.496 -9.968 2.272 1.00 0.00 O ATOM 318 CB ASP A 22 -11.739 -12.117 0.807 1.00 0.00 C ATOM 319 CG ASP A 22 -13.047 -12.390 0.105 1.00 0.00 C ATOM 320 OD1 ASP A 22 -14.061 -11.751 0.460 1.00 0.00 O ATOM 321 OD2 ASP A 22 -13.093 -13.236 -0.807 1.00 0.00 O ATOM 0 H ASP A 22 -9.346 -12.067 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.683 -10.292 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.137 -13.025 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.938 -11.866 1.849 1.00 0.00 H new ATOM 326 N GLU A 23 -8.876 -10.105 0.729 1.00 0.00 N ATOM 327 CA GLU A 23 -7.798 -9.597 1.533 1.00 0.00 C ATOM 328 C GLU A 23 -7.848 -8.082 1.560 1.00 0.00 C ATOM 329 O GLU A 23 -7.778 -7.458 2.618 1.00 0.00 O ATOM 330 CB GLU A 23 -6.456 -10.005 0.901 1.00 0.00 C ATOM 331 CG GLU A 23 -6.475 -11.311 0.100 1.00 0.00 C ATOM 332 CD GLU A 23 -6.866 -12.516 0.893 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.045 -13.018 1.671 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.994 -13.002 0.720 1.00 0.00 O ATOM 0 H GLU A 23 -8.606 -10.279 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.893 -10.000 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.124 -9.201 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.714 -10.096 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.167 -11.201 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.485 -11.477 -0.325 1.00 0.00 H new ATOM 341 N LEU A 24 -8.030 -7.496 0.382 1.00 0.00 N ATOM 342 CA LEU A 24 -7.950 -6.053 0.217 1.00 0.00 C ATOM 343 C LEU A 24 -9.097 -5.378 0.920 1.00 0.00 C ATOM 344 O LEU A 24 -8.974 -4.261 1.382 1.00 0.00 O ATOM 345 CB LEU A 24 -7.979 -5.682 -1.252 1.00 0.00 C ATOM 346 CG LEU A 24 -7.064 -4.540 -1.671 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.611 -4.888 -1.394 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.246 -4.248 -3.131 1.00 0.00 C ATOM 0 H LEU A 24 -8.235 -8.005 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.010 -5.717 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.715 -6.565 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.002 -5.418 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.327 -3.656 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.973 -4.059 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.478 -5.073 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.338 -5.782 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.588 -3.430 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.001 -5.136 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.282 -3.965 -3.319 1.00 0.00 H new ATOM 360 N LYS A 25 -10.190 -6.097 1.014 1.00 0.00 N ATOM 361 CA LYS A 25 -11.410 -5.634 1.664 1.00 0.00 C ATOM 362 C LYS A 25 -11.120 -5.236 3.115 1.00 0.00 C ATOM 363 O LYS A 25 -11.614 -4.221 3.602 1.00 0.00 O ATOM 364 CB LYS A 25 -12.449 -6.749 1.583 1.00 0.00 C ATOM 365 CG LYS A 25 -12.797 -7.111 0.139 1.00 0.00 C ATOM 366 CD LYS A 25 -13.555 -8.421 0.018 1.00 0.00 C ATOM 367 CE LYS A 25 -14.870 -8.404 0.754 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.652 -9.633 0.498 1.00 0.00 N ATOM 0 H LYS A 25 -10.266 -7.041 0.635 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.798 -4.748 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.071 -7.633 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.354 -6.439 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.396 -6.311 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.879 -7.175 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.736 -8.635 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.937 -9.231 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.688 -8.304 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.449 -7.533 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.502 -9.635 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.934 -9.663 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.071 -10.467 0.719 1.00 0.00 H new ATOM 382 N SER A 26 -10.274 -6.017 3.762 1.00 0.00 N ATOM 383 CA SER A 26 -9.824 -5.771 5.080 1.00 0.00 C ATOM 384 C SER A 26 -8.839 -4.602 5.093 1.00 0.00 C ATOM 385 O SER A 26 -9.014 -3.626 5.830 1.00 0.00 O ATOM 386 CB SER A 26 -9.124 -7.024 5.526 1.00 0.00 C ATOM 387 OG SER A 26 -10.024 -8.117 5.582 1.00 0.00 O ATOM 0 H SER A 26 -9.880 -6.864 3.352 1.00 0.00 H new ATOM 0 HA SER A 26 -10.655 -5.516 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.310 -7.254 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.678 -6.865 6.508 1.00 0.00 H new ATOM 0 HG SER A 26 -9.545 -8.921 5.873 1.00 0.00 H new ATOM 393 N PHE A 27 -7.829 -4.711 4.235 1.00 0.00 N ATOM 394 CA PHE A 27 -6.744 -3.739 4.087 1.00 0.00 C ATOM 395 C PHE A 27 -7.302 -2.301 3.935 1.00 0.00 C ATOM 396 O PHE A 27 -6.811 -1.368 4.575 1.00 0.00 O ATOM 397 CB PHE A 27 -5.904 -4.167 2.859 1.00 0.00 C ATOM 398 CG PHE A 27 -4.654 -3.357 2.551 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.730 -2.079 2.010 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.398 -3.901 2.782 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.583 -1.363 1.718 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.249 -3.188 2.494 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.342 -1.917 1.961 1.00 0.00 C ATOM 0 H PHE A 27 -7.738 -5.505 3.601 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.115 -3.725 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.606 -5.206 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.550 -4.137 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.697 -1.639 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.317 -4.896 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.658 -0.370 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.280 -3.624 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.446 -1.358 1.735 1.00 0.00 H new ATOM 413 N LYS A 28 -8.363 -2.160 3.136 1.00 0.00 N ATOM 414 CA LYS A 28 -9.017 -0.862 2.873 1.00 0.00 C ATOM 415 C LYS A 28 -9.612 -0.230 4.130 1.00 0.00 C ATOM 416 O LYS A 28 -9.740 0.984 4.217 1.00 0.00 O ATOM 417 CB LYS A 28 -10.092 -1.012 1.802 1.00 0.00 C ATOM 418 CG LYS A 28 -9.536 -1.418 0.458 1.00 0.00 C ATOM 419 CD LYS A 28 -10.628 -1.774 -0.520 1.00 0.00 C ATOM 420 CE LYS A 28 -10.021 -2.288 -1.799 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.025 -2.721 -2.774 1.00 0.00 N ATOM 0 H LYS A 28 -8.799 -2.942 2.648 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.238 -0.188 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.819 -1.756 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.627 -0.068 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.937 -0.603 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.869 -2.271 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.283 -2.531 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.244 -0.899 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.405 -1.506 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.360 -3.124 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.584 -2.805 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.411 -3.644 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.794 -2.022 -2.815 1.00 0.00 H new ATOM 435 N SER A 29 -9.956 -1.035 5.095 1.00 0.00 N ATOM 436 CA SER A 29 -10.519 -0.518 6.312 1.00 0.00 C ATOM 437 C SER A 29 -9.378 -0.222 7.280 1.00 0.00 C ATOM 438 O SER A 29 -9.401 0.770 8.009 1.00 0.00 O ATOM 439 CB SER A 29 -11.489 -1.543 6.920 1.00 0.00 C ATOM 440 OG SER A 29 -12.308 -0.968 7.936 1.00 0.00 O ATOM 0 H SER A 29 -9.857 -2.050 5.064 1.00 0.00 H new ATOM 0 HA SER A 29 -11.077 0.396 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.122 -1.953 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.922 -2.374 7.339 1.00 0.00 H new ATOM 0 HG SER A 29 -12.911 -1.651 8.296 1.00 0.00 H new ATOM 446 N LEU A 30 -8.365 -1.057 7.221 1.00 0.00 N ATOM 447 CA LEU A 30 -7.207 -0.977 8.091 1.00 0.00 C ATOM 448 C LEU A 30 -6.388 0.278 7.863 1.00 0.00 C ATOM 449 O LEU A 30 -5.967 0.927 8.817 1.00 0.00 O ATOM 450 CB LEU A 30 -6.366 -2.221 7.920 1.00 0.00 C ATOM 451 CG LEU A 30 -6.999 -3.497 8.449 1.00 0.00 C ATOM 452 CD1 LEU A 30 -6.332 -4.696 7.845 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.870 -3.550 9.955 1.00 0.00 C ATOM 0 H LEU A 30 -8.320 -1.827 6.554 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.563 -0.917 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.149 -2.353 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.412 -2.069 8.425 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.054 -3.502 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.795 -5.604 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.443 -4.666 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.273 -4.691 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.326 -4.467 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.816 -3.531 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.375 -2.690 10.394 1.00 0.00 H new ATOM 465 N LEU A 31 -6.184 0.663 6.613 1.00 0.00 N ATOM 466 CA LEU A 31 -5.411 1.873 6.366 1.00 0.00 C ATOM 467 C LEU A 31 -6.279 3.108 6.598 1.00 0.00 C ATOM 468 O LEU A 31 -5.794 4.220 6.638 1.00 0.00 O ATOM 469 CB LEU A 31 -4.726 1.899 4.968 1.00 0.00 C ATOM 470 CG LEU A 31 -5.507 2.459 3.763 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.589 2.577 2.566 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.677 1.591 3.406 1.00 0.00 C ATOM 0 H LEU A 31 -6.526 0.179 5.783 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.591 1.879 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.807 2.478 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.435 0.877 4.725 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.886 3.442 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.147 2.973 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.765 3.249 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.193 1.593 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.201 2.020 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.324 0.592 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.357 1.529 4.256 1.00 0.00 H new ATOM 484 N TRP A 32 -7.561 2.890 6.782 1.00 0.00 N ATOM 485 CA TRP A 32 -8.458 3.973 7.069 1.00 0.00 C ATOM 486 C TRP A 32 -8.609 4.101 8.577 1.00 0.00 C ATOM 487 O TRP A 32 -9.223 5.035 9.084 1.00 0.00 O ATOM 488 CB TRP A 32 -9.821 3.718 6.435 1.00 0.00 C ATOM 489 CG TRP A 32 -10.342 4.925 5.747 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.373 5.731 6.120 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.807 5.473 4.561 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.513 6.753 5.208 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.556 6.610 4.237 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.761 5.087 3.741 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.284 7.382 3.108 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.479 5.845 2.619 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.240 6.984 2.310 1.00 0.00 C ATOM 0 H TRP A 32 -8.001 1.971 6.737 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.052 4.896 6.655 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.742 2.898 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.527 3.405 7.204 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.987 5.591 6.997 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.213 7.494 5.248 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.175 4.210 3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.871 8.257 2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.663 5.557 1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.999 7.558 1.427 1.00 0.00 H new ATOM 508 N ALA A 33 -8.040 3.137 9.284 1.00 0.00 N ATOM 509 CA ALA A 33 -8.135 3.062 10.721 1.00 0.00 C ATOM 510 C ALA A 33 -7.060 3.881 11.402 1.00 0.00 C ATOM 511 O ALA A 33 -7.269 4.378 12.508 1.00 0.00 O ATOM 512 CB ALA A 33 -8.064 1.620 11.184 1.00 0.00 C ATOM 0 H ALA A 33 -7.496 2.382 8.867 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.100 3.482 11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.137 1.583 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.887 1.056 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.116 1.183 10.869 1.00 0.00 H new ATOM 518 N PHE A 34 -5.908 4.025 10.764 1.00 0.00 N ATOM 519 CA PHE A 34 -4.845 4.799 11.351 1.00 0.00 C ATOM 520 C PHE A 34 -5.137 6.284 11.115 1.00 0.00 C ATOM 521 O PHE A 34 -5.880 6.613 10.181 1.00 0.00 O ATOM 522 CB PHE A 34 -3.439 4.372 10.802 1.00 0.00 C ATOM 523 CG PHE A 34 -3.103 4.753 9.377 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.797 6.065 9.046 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.066 3.799 8.385 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.481 6.416 7.762 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.742 4.147 7.089 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.455 5.458 6.778 1.00 0.00 C ATOM 0 H PHE A 34 -5.695 3.619 9.853 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.807 4.611 12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.678 4.802 11.454 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.358 3.288 10.889 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.808 6.823 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.292 2.770 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.252 7.444 7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.713 3.391 6.318 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.210 5.732 5.762 1.00 0.00 H new ATOM 672 N THR A 43 -7.670 11.247 0.309 1.00 0.00 N ATOM 673 CA THR A 43 -7.462 10.076 -0.537 1.00 0.00 C ATOM 674 C THR A 43 -8.795 9.494 -1.023 1.00 0.00 C ATOM 675 O THR A 43 -9.619 9.055 -0.219 1.00 0.00 O ATOM 676 CB THR A 43 -6.641 9.004 0.232 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.411 9.594 0.691 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.302 7.816 -0.649 1.00 0.00 C ATOM 0 HA THR A 43 -6.900 10.387 -1.418 1.00 0.00 H new ATOM 0 HB THR A 43 -7.248 8.654 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.565 10.534 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.728 7.089 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.222 7.352 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.712 8.152 -1.502 1.00 0.00 H new ATOM 686 N PRO A 44 -9.031 9.561 -2.348 1.00 0.00 N ATOM 687 CA PRO A 44 -10.286 9.135 -2.962 1.00 0.00 C ATOM 688 C PRO A 44 -10.690 7.687 -2.646 1.00 0.00 C ATOM 689 O PRO A 44 -10.142 6.735 -3.203 1.00 0.00 O ATOM 690 CB PRO A 44 -10.052 9.326 -4.473 1.00 0.00 C ATOM 691 CG PRO A 44 -8.576 9.490 -4.630 1.00 0.00 C ATOM 692 CD PRO A 44 -8.085 10.098 -3.356 1.00 0.00 C ATOM 0 HA PRO A 44 -11.117 9.720 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.414 8.467 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.586 10.200 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.095 8.529 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.344 10.130 -5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.057 9.808 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.108 11.187 -3.393 1.00 0.00 H new ATOM 700 N TRP A 45 -11.653 7.532 -1.753 1.00 0.00 N ATOM 701 CA TRP A 45 -12.179 6.225 -1.380 1.00 0.00 C ATOM 702 C TRP A 45 -12.931 5.623 -2.571 1.00 0.00 C ATOM 703 O TRP A 45 -12.953 4.417 -2.749 1.00 0.00 O ATOM 704 CB TRP A 45 -13.094 6.337 -0.134 1.00 0.00 C ATOM 705 CG TRP A 45 -13.725 5.029 0.312 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.847 4.456 -0.199 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.279 4.151 1.356 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.127 3.288 0.453 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.183 3.074 1.408 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.209 4.165 2.244 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -14.046 2.027 2.311 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -12.075 3.121 3.141 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.987 2.067 3.168 1.00 0.00 C ATOM 0 H TRP A 45 -12.095 8.310 -1.263 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.353 5.564 -1.117 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.511 6.743 0.692 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.888 7.053 -0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.435 4.866 -1.007 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.918 2.675 0.255 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.496 4.976 2.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.753 1.211 2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.247 3.122 3.835 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.852 1.267 3.881 1.00 0.00 H new ATOM 724 N SER A 46 -13.497 6.474 -3.417 1.00 0.00 N ATOM 725 CA SER A 46 -14.191 6.004 -4.605 1.00 0.00 C ATOM 726 C SER A 46 -13.197 5.465 -5.652 1.00 0.00 C ATOM 727 O SER A 46 -13.582 4.932 -6.697 1.00 0.00 O ATOM 728 CB SER A 46 -15.091 7.093 -5.155 1.00 0.00 C ATOM 729 OG SER A 46 -16.001 7.507 -4.143 1.00 0.00 O ATOM 0 H SER A 46 -13.489 7.487 -3.302 1.00 0.00 H new ATOM 0 HA SER A 46 -14.832 5.166 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.493 7.940 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.638 6.725 -6.023 1.00 0.00 H new ATOM 0 HG SER A 46 -16.583 8.212 -4.495 1.00 0.00 H new ATOM 735 N GLU A 47 -11.931 5.629 -5.366 1.00 0.00 N ATOM 736 CA GLU A 47 -10.911 4.966 -6.100 1.00 0.00 C ATOM 737 C GLU A 47 -10.604 3.670 -5.390 1.00 0.00 C ATOM 738 O GLU A 47 -10.695 2.609 -5.974 1.00 0.00 O ATOM 739 CB GLU A 47 -9.642 5.817 -6.210 1.00 0.00 C ATOM 740 CG GLU A 47 -9.663 6.859 -7.298 1.00 0.00 C ATOM 741 CD GLU A 47 -9.709 6.230 -8.667 1.00 0.00 C ATOM 742 OE1 GLU A 47 -8.643 5.806 -9.187 1.00 0.00 O ATOM 743 OE2 GLU A 47 -10.797 6.160 -9.255 1.00 0.00 O ATOM 0 H GLU A 47 -11.589 6.229 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.260 4.784 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.473 6.315 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.793 5.155 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.529 7.507 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.778 7.489 -7.216 1.00 0.00 H new ATOM 750 N VAL A 48 -10.325 3.778 -4.080 1.00 0.00 N ATOM 751 CA VAL A 48 -9.878 2.644 -3.260 1.00 0.00 C ATOM 752 C VAL A 48 -10.897 1.492 -3.230 1.00 0.00 C ATOM 753 O VAL A 48 -10.506 0.332 -3.236 1.00 0.00 O ATOM 754 CB VAL A 48 -9.514 3.050 -1.769 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.766 4.347 -1.675 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.691 3.004 -0.806 1.00 0.00 C ATOM 0 H VAL A 48 -10.403 4.653 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.969 2.300 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.831 2.267 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.548 4.566 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.832 4.270 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.374 5.149 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.358 3.295 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.465 3.692 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.094 1.992 -0.772 1.00 0.00 H new ATOM 766 N GLU A 49 -12.191 1.825 -3.233 1.00 0.00 N ATOM 767 CA GLU A 49 -13.242 0.849 -3.052 1.00 0.00 C ATOM 768 C GLU A 49 -13.213 -0.226 -4.101 1.00 0.00 C ATOM 769 O GLU A 49 -13.125 -1.407 -3.783 1.00 0.00 O ATOM 770 CB GLU A 49 -14.591 1.505 -3.021 1.00 0.00 C ATOM 771 CG GLU A 49 -15.462 0.916 -1.943 1.00 0.00 C ATOM 772 CD GLU A 49 -15.825 -0.533 -2.132 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.729 -0.842 -2.947 1.00 0.00 O ATOM 774 OE2 GLU A 49 -15.203 -1.398 -1.464 1.00 0.00 O ATOM 0 H GLU A 49 -12.527 2.779 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.059 0.373 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.473 2.575 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.077 1.387 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.951 1.024 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.381 1.499 -1.882 1.00 0.00 H new ATOM 781 N GLU A 50 -13.248 0.157 -5.334 1.00 0.00 N ATOM 782 CA GLU A 50 -13.256 -0.817 -6.386 1.00 0.00 C ATOM 783 C GLU A 50 -11.862 -1.057 -6.960 1.00 0.00 C ATOM 784 O GLU A 50 -11.704 -1.694 -8.005 1.00 0.00 O ATOM 785 CB GLU A 50 -14.220 -0.438 -7.487 1.00 0.00 C ATOM 786 CG GLU A 50 -15.672 -0.411 -7.061 1.00 0.00 C ATOM 787 CD GLU A 50 -16.585 -0.188 -8.222 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.946 -1.179 -8.881 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.958 0.974 -8.510 1.00 0.00 O ATOM 0 H GLU A 50 -13.271 1.129 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.596 -1.751 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.947 0.545 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.108 -1.143 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.926 -1.353 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.820 0.379 -6.325 1.00 0.00 H new ATOM 796 N ALA A 51 -10.869 -0.543 -6.293 1.00 0.00 N ATOM 797 CA ALA A 51 -9.500 -0.730 -6.707 1.00 0.00 C ATOM 798 C ALA A 51 -8.952 -1.989 -6.137 1.00 0.00 C ATOM 799 O ALA A 51 -9.274 -2.367 -4.998 1.00 0.00 O ATOM 800 CB ALA A 51 -8.636 0.423 -6.269 1.00 0.00 C ATOM 0 H ALA A 51 -10.980 0.017 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.492 -0.785 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.610 0.253 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.010 1.346 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.662 0.505 -5.182 1.00 0.00 H new ATOM 806 N ASP A 52 -8.156 -2.645 -6.908 1.00 0.00 N ATOM 807 CA ASP A 52 -7.473 -3.808 -6.464 1.00 0.00 C ATOM 808 C ASP A 52 -6.056 -3.720 -6.929 1.00 0.00 C ATOM 809 O ASP A 52 -5.776 -3.000 -7.895 1.00 0.00 O ATOM 810 CB ASP A 52 -8.115 -5.100 -6.984 1.00 0.00 C ATOM 811 CG ASP A 52 -7.785 -5.439 -8.433 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.504 -5.007 -9.338 1.00 0.00 O ATOM 813 OD2 ASP A 52 -6.813 -6.194 -8.677 1.00 0.00 O ATOM 0 H ASP A 52 -7.959 -2.386 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.528 -3.848 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.797 -5.928 -6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.197 -5.018 -6.882 1.00 0.00 H new ATOM 818 N GLY A 53 -5.169 -4.372 -6.194 1.00 0.00 N ATOM 819 CA GLY A 53 -3.765 -4.506 -6.550 1.00 0.00 C ATOM 820 C GLY A 53 -3.084 -3.248 -7.063 1.00 0.00 C ATOM 821 O GLY A 53 -2.801 -2.308 -6.299 1.00 0.00 O ATOM 0 H GLY A 53 -5.410 -4.832 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.221 -4.858 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.676 -5.280 -7.313 1.00 0.00 H new ATOM 825 N LYS A 54 -2.891 -3.217 -8.376 1.00 0.00 N ATOM 826 CA LYS A 54 -2.184 -2.153 -9.065 1.00 0.00 C ATOM 827 C LYS A 54 -2.894 -0.836 -8.905 1.00 0.00 C ATOM 828 O LYS A 54 -2.258 0.226 -8.822 1.00 0.00 O ATOM 829 CB LYS A 54 -2.072 -2.455 -10.547 1.00 0.00 C ATOM 830 CG LYS A 54 -1.095 -1.535 -11.256 1.00 0.00 C ATOM 831 CD LYS A 54 -1.642 -0.984 -12.549 1.00 0.00 C ATOM 832 CE LYS A 54 -2.629 0.127 -12.260 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.968 1.334 -11.706 1.00 0.00 N ATOM 0 H LYS A 54 -3.230 -3.948 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.191 -2.089 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.754 -3.489 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.055 -2.361 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.837 -0.708 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.173 -2.080 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.827 -0.607 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.130 -1.778 -13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.155 0.392 -13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.379 -0.230 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.463 2.185 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.999 1.301 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.978 1.363 -12.022 1.00 0.00 H new ATOM 847 N LYS A 55 -4.198 -0.885 -8.878 1.00 0.00 N ATOM 848 CA LYS A 55 -4.964 0.315 -8.756 1.00 0.00 C ATOM 849 C LYS A 55 -4.826 0.902 -7.381 1.00 0.00 C ATOM 850 O LYS A 55 -4.714 2.103 -7.240 1.00 0.00 O ATOM 851 CB LYS A 55 -6.438 0.111 -9.094 1.00 0.00 C ATOM 852 CG LYS A 55 -6.796 0.257 -10.563 1.00 0.00 C ATOM 853 CD LYS A 55 -6.653 1.706 -11.059 1.00 0.00 C ATOM 854 CE LYS A 55 -7.586 2.671 -10.309 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.476 4.055 -10.813 1.00 0.00 N ATOM 0 H LYS A 55 -4.747 -1.743 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.558 1.014 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.735 -0.884 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.027 0.827 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.154 -0.393 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.821 -0.079 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.620 2.031 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.873 1.746 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.616 2.330 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.347 2.653 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.109 4.674 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.495 4.385 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.746 4.081 -11.817 1.00 0.00 H new ATOM 869 N LEU A 56 -4.779 0.052 -6.376 1.00 0.00 N ATOM 870 CA LEU A 56 -4.700 0.525 -5.015 1.00 0.00 C ATOM 871 C LEU A 56 -3.344 1.175 -4.756 1.00 0.00 C ATOM 872 O LEU A 56 -3.263 2.225 -4.130 1.00 0.00 O ATOM 873 CB LEU A 56 -4.970 -0.599 -4.020 1.00 0.00 C ATOM 874 CG LEU A 56 -5.115 -0.155 -2.558 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.324 0.755 -2.376 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.210 -1.345 -1.640 1.00 0.00 C ATOM 0 H LEU A 56 -4.794 -0.963 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.475 1.278 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.882 -1.116 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.158 -1.323 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.221 0.411 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.401 1.053 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.209 1.642 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.228 0.221 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.312 -1.003 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.079 -1.945 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.308 -1.950 -1.734 1.00 0.00 H new ATOM 888 N ALA A 57 -2.296 0.565 -5.302 1.00 0.00 N ATOM 889 CA ALA A 57 -0.919 1.078 -5.186 1.00 0.00 C ATOM 890 C ALA A 57 -0.824 2.501 -5.729 1.00 0.00 C ATOM 891 O ALA A 57 -0.144 3.366 -5.171 1.00 0.00 O ATOM 892 CB ALA A 57 0.014 0.180 -5.975 1.00 0.00 C ATOM 0 H ALA A 57 -2.369 -0.299 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.636 1.087 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.035 0.554 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.034 -0.834 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.287 0.173 -7.023 1.00 0.00 H new ATOM 898 N GLU A 58 -1.561 2.719 -6.784 1.00 0.00 N ATOM 899 CA GLU A 58 -1.628 3.971 -7.504 1.00 0.00 C ATOM 900 C GLU A 58 -2.251 5.057 -6.627 1.00 0.00 C ATOM 901 O GLU A 58 -1.821 6.216 -6.639 1.00 0.00 O ATOM 902 CB GLU A 58 -2.471 3.705 -8.744 1.00 0.00 C ATOM 903 CG GLU A 58 -2.752 4.860 -9.662 1.00 0.00 C ATOM 904 CD GLU A 58 -3.706 4.431 -10.743 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.304 3.642 -11.629 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.897 4.810 -10.701 1.00 0.00 O ATOM 0 H GLU A 58 -2.160 1.999 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.637 4.329 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.975 2.928 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.427 3.297 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.177 5.690 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.823 5.219 -10.105 1.00 0.00 H new ATOM 913 N ILE A 59 -3.220 4.661 -5.844 1.00 0.00 N ATOM 914 CA ILE A 59 -3.919 5.570 -4.974 1.00 0.00 C ATOM 915 C ILE A 59 -3.038 5.904 -3.769 1.00 0.00 C ATOM 916 O ILE A 59 -2.972 7.051 -3.331 1.00 0.00 O ATOM 917 CB ILE A 59 -5.256 4.951 -4.528 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.033 4.545 -5.770 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.062 5.969 -3.731 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.120 3.543 -5.522 1.00 0.00 C ATOM 0 H ILE A 59 -3.548 3.696 -5.792 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.138 6.494 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.070 4.082 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.473 5.437 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.337 4.134 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.006 5.522 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.496 6.272 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.261 6.842 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.622 3.311 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.688 2.633 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.842 3.956 -4.817 1.00 0.00 H new ATOM 932 N LEU A 60 -2.323 4.895 -3.271 1.00 0.00 N ATOM 933 CA LEU A 60 -1.375 5.086 -2.167 1.00 0.00 C ATOM 934 C LEU A 60 -0.282 6.071 -2.543 1.00 0.00 C ATOM 935 O LEU A 60 0.017 6.998 -1.787 1.00 0.00 O ATOM 936 CB LEU A 60 -0.720 3.757 -1.708 1.00 0.00 C ATOM 937 CG LEU A 60 -1.412 2.941 -0.592 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.522 3.752 0.691 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.769 2.420 -1.020 1.00 0.00 C ATOM 0 H LEU A 60 -2.381 3.936 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.959 5.485 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.630 3.113 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.292 3.984 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.782 2.073 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.013 3.154 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.525 4.032 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.107 4.652 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.215 1.853 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.416 3.259 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.653 1.773 -1.889 1.00 0.00 H new ATOM 951 N VAL A 61 0.278 5.914 -3.734 1.00 0.00 N ATOM 952 CA VAL A 61 1.402 6.742 -4.141 1.00 0.00 C ATOM 953 C VAL A 61 0.929 8.142 -4.585 1.00 0.00 C ATOM 954 O VAL A 61 1.739 9.053 -4.808 1.00 0.00 O ATOM 955 CB VAL A 61 2.256 6.031 -5.244 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.524 5.943 -6.564 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.634 6.656 -5.413 1.00 0.00 C ATOM 0 H VAL A 61 -0.023 5.229 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 61 2.050 6.883 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 61 2.413 5.012 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.156 5.442 -7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.602 5.376 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.285 6.947 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.182 6.123 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.526 7.703 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.181 6.590 -4.473 1.00 0.00 H new ATOM 967 N ASN A 62 -0.380 8.310 -4.670 1.00 0.00 N ATOM 968 CA ASN A 62 -0.980 9.579 -5.052 1.00 0.00 C ATOM 969 C ASN A 62 -0.888 10.557 -3.879 1.00 0.00 C ATOM 970 O ASN A 62 -0.526 11.724 -4.055 1.00 0.00 O ATOM 971 CB ASN A 62 -2.464 9.370 -5.464 1.00 0.00 C ATOM 972 CG ASN A 62 -3.172 10.608 -6.049 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.861 11.762 -5.739 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.148 10.371 -6.880 1.00 0.00 N ATOM 0 H ASN A 62 -1.057 7.572 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.441 9.990 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.509 8.566 -6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.021 9.034 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.671 11.146 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.389 9.410 -7.123 1.00 0.00 H new ATOM 981 N THR A 63 -1.168 10.079 -2.688 1.00 0.00 N ATOM 982 CA THR A 63 -1.205 10.954 -1.540 1.00 0.00 C ATOM 983 C THR A 63 -0.017 10.756 -0.598 1.00 0.00 C ATOM 984 O THR A 63 0.568 11.723 -0.107 1.00 0.00 O ATOM 985 CB THR A 63 -2.540 10.786 -0.771 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.764 9.393 -0.466 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.708 11.314 -1.598 1.00 0.00 C ATOM 0 H THR A 63 -1.371 9.099 -2.490 1.00 0.00 H new ATOM 0 HA THR A 63 -1.134 11.972 -1.923 1.00 0.00 H new ATOM 0 HB THR A 63 -2.473 11.357 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.646 9.286 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.636 11.187 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.555 12.372 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.769 10.761 -2.535 1.00 0.00 H new ATOM 995 N SER A 64 0.369 9.529 -0.384 1.00 0.00 N ATOM 996 CA SER A 64 1.384 9.238 0.583 1.00 0.00 C ATOM 997 C SER A 64 2.792 9.229 -0.047 1.00 0.00 C ATOM 998 O SER A 64 2.966 8.891 -1.231 1.00 0.00 O ATOM 999 CB SER A 64 1.057 7.906 1.234 1.00 0.00 C ATOM 1000 OG SER A 64 -0.281 7.911 1.711 1.00 0.00 O ATOM 0 H SER A 64 -0.007 8.714 -0.869 1.00 0.00 H new ATOM 0 HA SER A 64 1.397 10.023 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.192 7.098 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.744 7.717 2.058 1.00 0.00 H new ATOM 0 HG SER A 64 -0.483 7.047 2.128 1.00 0.00 H new ATOM 1006 N SER A 65 3.774 9.637 0.733 1.00 0.00 N ATOM 1007 CA SER A 65 5.155 9.648 0.313 1.00 0.00 C ATOM 1008 C SER A 65 5.678 8.228 0.259 1.00 0.00 C ATOM 1009 O SER A 65 5.372 7.415 1.120 1.00 0.00 O ATOM 1010 CB SER A 65 5.987 10.492 1.296 1.00 0.00 C ATOM 1011 OG SER A 65 7.398 10.444 1.032 1.00 0.00 O ATOM 0 H SER A 65 3.630 9.973 1.685 1.00 0.00 H new ATOM 0 HA SER A 65 5.234 10.090 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.651 11.528 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.802 10.142 2.312 1.00 0.00 H new ATOM 0 HG SER A 65 7.548 10.177 0.101 1.00 0.00 H new ATOM 1017 N GLU A 66 6.485 7.957 -0.732 1.00 0.00 N ATOM 1018 CA GLU A 66 7.075 6.650 -0.973 1.00 0.00 C ATOM 1019 C GLU A 66 7.842 6.115 0.239 1.00 0.00 C ATOM 1020 O GLU A 66 7.762 4.922 0.565 1.00 0.00 O ATOM 1021 CB GLU A 66 7.981 6.665 -2.224 1.00 0.00 C ATOM 1022 CG GLU A 66 9.129 7.685 -2.240 1.00 0.00 C ATOM 1023 CD GLU A 66 8.666 9.121 -2.288 1.00 0.00 C ATOM 1024 OE1 GLU A 66 8.296 9.603 -3.361 1.00 0.00 O ATOM 1025 OE2 GLU A 66 8.613 9.776 -1.238 1.00 0.00 O ATOM 0 H GLU A 66 6.764 8.656 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 66 6.244 5.968 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.410 5.670 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.353 6.848 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.744 7.540 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.765 7.489 -3.103 1.00 0.00 H new ATOM 1032 N ASN A 67 8.526 7.002 0.938 1.00 0.00 N ATOM 1033 CA ASN A 67 9.334 6.604 2.088 1.00 0.00 C ATOM 1034 C ASN A 67 8.435 6.381 3.308 1.00 0.00 C ATOM 1035 O ASN A 67 8.827 5.776 4.297 1.00 0.00 O ATOM 1036 CB ASN A 67 10.392 7.674 2.392 1.00 0.00 C ATOM 1037 CG ASN A 67 11.411 7.230 3.434 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.760 6.050 3.522 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.884 8.155 4.219 1.00 0.00 N ATOM 0 H ASN A 67 8.542 8.001 0.735 1.00 0.00 H new ATOM 0 HA ASN A 67 9.845 5.670 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.913 7.933 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.895 8.579 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.567 7.914 4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.571 9.120 4.116 1.00 0.00 H new ATOM 1046 N TRP A 68 7.219 6.837 3.211 1.00 0.00 N ATOM 1047 CA TRP A 68 6.272 6.681 4.273 1.00 0.00 C ATOM 1048 C TRP A 68 5.426 5.416 4.011 1.00 0.00 C ATOM 1049 O TRP A 68 5.143 4.637 4.925 1.00 0.00 O ATOM 1050 CB TRP A 68 5.399 7.942 4.358 1.00 0.00 C ATOM 1051 CG TRP A 68 4.518 8.010 5.561 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.832 8.549 6.773 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.183 7.530 5.672 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.770 8.432 7.626 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.747 7.813 6.977 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.312 6.888 4.797 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.485 7.477 7.423 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.059 6.555 5.244 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.660 6.851 6.548 1.00 0.00 C ATOM 0 H TRP A 68 6.858 7.327 2.393 1.00 0.00 H new ATOM 0 HA TRP A 68 6.780 6.557 5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.048 8.818 4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.777 7.998 3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.780 9.002 7.023 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.748 8.756 8.593 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.616 6.657 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.167 7.704 8.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.371 6.056 4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.333 6.574 6.869 1.00 0.00 H new ATOM 1070 N ILE A 69 5.073 5.189 2.736 1.00 0.00 N ATOM 1071 CA ILE A 69 4.259 4.023 2.342 1.00 0.00 C ATOM 1072 C ILE A 69 5.002 2.724 2.650 1.00 0.00 C ATOM 1073 O ILE A 69 4.380 1.712 2.991 1.00 0.00 O ATOM 1074 CB ILE A 69 3.881 4.019 0.830 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.268 5.341 0.416 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.859 2.908 0.559 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.057 5.470 -1.078 1.00 0.00 C ATOM 0 H ILE A 69 5.337 5.795 1.959 1.00 0.00 H new ATOM 0 HA ILE A 69 3.339 4.095 2.922 1.00 0.00 H new ATOM 0 HB ILE A 69 4.793 3.853 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.310 5.462 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.912 6.153 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.595 2.906 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.290 1.944 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.964 3.084 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.615 6.441 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.015 5.382 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.388 4.680 -1.421 1.00 0.00 H new ATOM 1089 N ARG A 70 6.348 2.774 2.594 1.00 0.00 N ATOM 1090 CA ARG A 70 7.183 1.592 2.849 1.00 0.00 C ATOM 1091 C ARG A 70 7.128 1.159 4.321 1.00 0.00 C ATOM 1092 O ARG A 70 7.762 0.190 4.721 1.00 0.00 O ATOM 1093 CB ARG A 70 8.629 1.809 2.370 1.00 0.00 C ATOM 1094 CG ARG A 70 9.342 2.955 3.034 1.00 0.00 C ATOM 1095 CD ARG A 70 10.760 3.112 2.512 1.00 0.00 C ATOM 1096 NE ARG A 70 10.822 3.256 1.031 1.00 0.00 N ATOM 1097 CZ ARG A 70 11.658 4.090 0.369 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.419 4.960 1.041 1.00 0.00 N ATOM 1099 NH2 ARG A 70 11.697 4.076 -0.969 1.00 0.00 N ATOM 0 H ARG A 70 6.875 3.619 2.375 1.00 0.00 H new ATOM 0 HA ARG A 70 6.768 0.772 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.197 0.895 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.620 1.978 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.787 3.877 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.367 2.793 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.217 3.986 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.350 2.246 2.812 1.00 0.00 H new ATOM 0 HE ARG A 70 10.187 2.684 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.372 4.998 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.047 5.585 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.097 3.437 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.327 4.705 -1.467 1.00 0.00 H new ATOM 1113 N ASN A 71 6.402 1.910 5.114 1.00 0.00 N ATOM 1114 CA ASN A 71 6.103 1.529 6.469 1.00 0.00 C ATOM 1115 C ASN A 71 4.615 1.230 6.567 1.00 0.00 C ATOM 1116 O ASN A 71 4.210 0.199 7.104 1.00 0.00 O ATOM 1117 CB ASN A 71 6.492 2.631 7.466 1.00 0.00 C ATOM 1118 CG ASN A 71 6.162 2.249 8.906 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.962 1.602 9.579 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.022 2.664 9.393 1.00 0.00 N ATOM 0 H ASN A 71 6.002 2.805 4.834 1.00 0.00 H new ATOM 0 HA ASN A 71 6.686 0.644 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.559 2.835 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.970 3.553 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.773 2.453 10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.381 3.199 8.807 1.00 0.00 H new ATOM 1127 N ALA A 72 3.815 2.126 5.986 1.00 0.00 N ATOM 1128 CA ALA A 72 2.354 2.046 5.993 1.00 0.00 C ATOM 1129 C ALA A 72 1.819 0.697 5.516 1.00 0.00 C ATOM 1130 O ALA A 72 1.143 0.000 6.273 1.00 0.00 O ATOM 1131 CB ALA A 72 1.762 3.153 5.145 1.00 0.00 C ATOM 0 H ALA A 72 4.171 2.942 5.489 1.00 0.00 H new ATOM 0 HA ALA A 72 2.049 2.162 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.675 3.081 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.067 4.120 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.118 3.056 4.119 1.00 0.00 H new ATOM 1137 N THR A 73 2.155 0.311 4.279 1.00 0.00 N ATOM 1138 CA THR A 73 1.620 -0.921 3.700 1.00 0.00 C ATOM 1139 C THR A 73 2.097 -2.130 4.489 1.00 0.00 C ATOM 1140 O THR A 73 1.353 -3.095 4.678 1.00 0.00 O ATOM 1141 CB THR A 73 1.978 -1.086 2.174 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.288 -2.209 1.622 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.479 -1.273 1.954 1.00 0.00 C ATOM 0 H THR A 73 2.787 0.829 3.668 1.00 0.00 H new ATOM 0 HA THR A 73 0.534 -0.852 3.764 1.00 0.00 H new ATOM 0 HB THR A 73 1.667 -0.169 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.517 -2.300 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.680 -1.383 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.014 -0.404 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.815 -2.166 2.480 1.00 0.00 H new ATOM 1151 N VAL A 74 3.304 -2.026 4.997 1.00 0.00 N ATOM 1152 CA VAL A 74 3.941 -3.076 5.735 1.00 0.00 C ATOM 1153 C VAL A 74 3.193 -3.332 7.035 1.00 0.00 C ATOM 1154 O VAL A 74 2.858 -4.470 7.350 1.00 0.00 O ATOM 1155 CB VAL A 74 5.422 -2.704 6.009 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.091 -3.718 6.903 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.183 -2.592 4.693 1.00 0.00 C ATOM 0 H VAL A 74 3.877 -1.188 4.903 1.00 0.00 H new ATOM 0 HA VAL A 74 3.920 -3.993 5.147 1.00 0.00 H new ATOM 0 HB VAL A 74 5.436 -1.742 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.127 -3.425 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.566 -3.765 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.065 -4.698 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.222 -2.331 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.144 -3.546 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.728 -1.819 4.074 1.00 0.00 H new ATOM 1167 N ASN A 75 2.871 -2.258 7.735 1.00 0.00 N ATOM 1168 CA ASN A 75 2.180 -2.338 9.021 1.00 0.00 C ATOM 1169 C ASN A 75 0.772 -2.911 8.846 1.00 0.00 C ATOM 1170 O ASN A 75 0.285 -3.659 9.691 1.00 0.00 O ATOM 1171 CB ASN A 75 2.093 -0.952 9.664 1.00 0.00 C ATOM 1172 CG ASN A 75 1.616 -0.992 11.113 1.00 0.00 C ATOM 1173 OD1 ASN A 75 0.888 -0.091 11.565 1.00 0.00 O ATOM 1174 ND2 ASN A 75 2.069 -1.974 11.866 1.00 0.00 N ATOM 0 H ASN A 75 3.078 -1.306 7.433 1.00 0.00 H new ATOM 0 HA ASN A 75 2.751 -3.001 9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.073 -0.477 9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.414 -0.330 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.824 -2.012 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.664 -2.696 11.459 1.00 0.00 H new ATOM 1181 N ILE A 76 0.124 -2.571 7.737 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.212 -3.102 7.455 1.00 0.00 C ATOM 1183 C ILE A 76 -1.122 -4.623 7.241 1.00 0.00 C ATOM 1184 O ILE A 76 -1.946 -5.389 7.759 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.876 -2.440 6.218 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.874 -0.901 6.334 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.306 -2.946 6.072 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.639 -0.345 7.523 1.00 0.00 C ATOM 0 H ILE A 76 0.492 -1.940 7.026 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.840 -2.871 8.315 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.297 -2.711 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.841 -0.558 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.297 -0.482 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.770 -2.480 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.298 -4.028 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.875 -2.693 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.579 0.743 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.683 -0.651 7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.204 -0.728 8.446 1.00 0.00 H new ATOM 1200 N LEU A 77 -0.092 -5.048 6.512 1.00 0.00 N ATOM 1201 CA LEU A 77 0.188 -6.466 6.318 1.00 0.00 C ATOM 1202 C LEU A 77 0.435 -7.144 7.661 1.00 0.00 C ATOM 1203 O LEU A 77 -0.070 -8.237 7.911 1.00 0.00 O ATOM 1204 CB LEU A 77 1.393 -6.662 5.397 1.00 0.00 C ATOM 1205 CG LEU A 77 1.145 -6.529 3.895 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.270 -5.761 3.228 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.077 -7.904 3.281 1.00 0.00 C ATOM 0 H LEU A 77 0.566 -4.424 6.044 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.681 -6.924 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.157 -5.938 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.807 -7.653 5.586 1.00 0.00 H new ATOM 0 HG LEU A 77 0.208 -5.992 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.071 -5.679 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.337 -4.763 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.212 -6.288 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.900 -7.815 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.019 -8.426 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.263 -8.467 3.738 1.00 0.00 H new ATOM 1219 N GLU A 78 1.175 -6.464 8.531 1.00 0.00 N ATOM 1220 CA GLU A 78 1.457 -6.952 9.876 1.00 0.00 C ATOM 1221 C GLU A 78 0.163 -7.152 10.651 1.00 0.00 C ATOM 1222 O GLU A 78 -0.017 -8.171 11.325 1.00 0.00 O ATOM 1223 CB GLU A 78 2.360 -5.979 10.637 1.00 0.00 C ATOM 1224 CG GLU A 78 3.725 -5.784 10.026 1.00 0.00 C ATOM 1225 CD GLU A 78 4.597 -4.913 10.876 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.295 -3.707 11.043 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.613 -5.407 11.393 1.00 0.00 O ATOM 0 H GLU A 78 1.596 -5.559 8.323 1.00 0.00 H new ATOM 0 HA GLU A 78 1.973 -7.907 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.861 -5.012 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.481 -6.339 11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.204 -6.754 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.620 -5.338 9.037 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.746 -6.200 10.523 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.034 -6.261 11.197 1.00 0.00 C ATOM 1236 C GLU A 79 -2.848 -7.462 10.680 1.00 0.00 C ATOM 1237 O GLU A 79 -3.527 -8.145 11.448 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.815 -4.952 10.996 1.00 0.00 C ATOM 1239 CG GLU A 79 -4.047 -4.827 11.880 1.00 0.00 C ATOM 1240 CD GLU A 79 -3.719 -4.855 13.351 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -3.455 -3.789 13.928 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.738 -5.938 13.961 1.00 0.00 O ATOM 0 H GLU A 79 -0.614 -5.366 9.951 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.860 -6.391 12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.151 -4.110 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.120 -4.879 9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.563 -3.896 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.736 -5.640 11.651 1.00 0.00 H new ATOM 1249 N MET A 80 -2.715 -7.755 9.392 1.00 0.00 N ATOM 1250 CA MET A 80 -3.427 -8.884 8.774 1.00 0.00 C ATOM 1251 C MET A 80 -2.708 -10.207 9.036 1.00 0.00 C ATOM 1252 O MET A 80 -3.146 -11.270 8.569 1.00 0.00 O ATOM 1253 CB MET A 80 -3.598 -8.681 7.264 1.00 0.00 C ATOM 1254 CG MET A 80 -4.458 -7.488 6.883 1.00 0.00 C ATOM 1255 SD MET A 80 -4.706 -7.323 5.096 1.00 0.00 S ATOM 1256 CE MET A 80 -5.564 -8.855 4.729 1.00 0.00 C ATOM 0 H MET A 80 -2.122 -7.230 8.749 1.00 0.00 H new ATOM 0 HA MET A 80 -4.414 -8.924 9.235 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.613 -8.562 6.812 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.038 -9.582 6.836 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.429 -7.579 7.370 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.994 -6.578 7.264 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.973 -8.810 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.866 -9.689 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.375 -8.998 5.443 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.593 -10.118 9.776 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.753 -11.261 10.168 1.00 0.00 C ATOM 1268 C ASN A 81 -0.107 -11.872 8.913 1.00 0.00 C ATOM 1269 O ASN A 81 0.204 -13.055 8.832 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.577 -12.291 10.998 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.728 -13.288 11.764 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.245 -12.997 12.864 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.632 -14.465 11.268 1.00 0.00 N ATOM 0 H ASN A 81 -1.241 -9.227 10.127 1.00 0.00 H new ATOM 0 HA ASN A 81 0.054 -10.927 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.209 -11.751 11.703 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.241 -12.835 10.326 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.145 -15.198 11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.043 -14.670 10.357 1.00 0.00 H new ATOM 1280 N LEU A 82 0.114 -11.017 7.944 1.00 0.00 N ATOM 1281 CA LEU A 82 0.750 -11.367 6.707 1.00 0.00 C ATOM 1282 C LEU A 82 2.224 -11.055 6.808 1.00 0.00 C ATOM 1283 O LEU A 82 2.611 -9.909 6.718 1.00 0.00 O ATOM 1284 CB LEU A 82 0.135 -10.562 5.547 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.294 -10.915 5.139 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.820 -9.913 4.115 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.314 -12.294 4.541 1.00 0.00 C ATOM 0 H LEU A 82 -0.152 -10.034 8.000 1.00 0.00 H new ATOM 0 HA LEU A 82 0.604 -12.430 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.159 -9.506 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.776 -10.682 4.674 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.931 -10.882 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.839 -10.180 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.812 -8.913 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.185 -9.930 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.333 -12.549 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.668 -12.320 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.956 -13.015 5.276 1.00 0.00 H new ATOM 1299 N THR A 83 3.029 -12.052 7.038 1.00 0.00 N ATOM 1300 CA THR A 83 4.459 -11.847 7.127 1.00 0.00 C ATOM 1301 C THR A 83 5.145 -12.163 5.822 1.00 0.00 C ATOM 1302 O THR A 83 5.988 -11.405 5.379 1.00 0.00 O ATOM 1303 CB THR A 83 5.087 -12.660 8.269 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.501 -13.968 8.322 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.938 -11.954 9.603 1.00 0.00 C ATOM 0 H THR A 83 2.727 -13.017 7.168 1.00 0.00 H new ATOM 0 HA THR A 83 4.608 -10.790 7.347 1.00 0.00 H new ATOM 0 HB THR A 83 6.154 -12.756 8.067 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.909 -14.480 9.052 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.394 -12.558 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.433 -10.984 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.880 -11.812 9.823 1.00 0.00 H new ATOM 1313 N GLU A 84 4.712 -13.240 5.187 1.00 0.00 N ATOM 1314 CA GLU A 84 5.303 -13.765 3.944 1.00 0.00 C ATOM 1315 C GLU A 84 5.653 -12.675 2.896 1.00 0.00 C ATOM 1316 O GLU A 84 6.834 -12.422 2.626 1.00 0.00 O ATOM 1317 CB GLU A 84 4.397 -14.866 3.352 1.00 0.00 C ATOM 1318 CG GLU A 84 2.921 -14.475 3.198 1.00 0.00 C ATOM 1319 CD GLU A 84 2.063 -15.587 2.645 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.558 -16.414 3.430 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.858 -15.639 1.428 1.00 0.00 O ATOM 0 H GLU A 84 3.923 -13.793 5.520 1.00 0.00 H new ATOM 0 HA GLU A 84 6.265 -14.201 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.786 -15.150 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.459 -15.749 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.529 -14.172 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.849 -13.609 2.541 1.00 0.00 H new ATOM 1328 N LEU A 85 4.660 -12.002 2.373 1.00 0.00 N ATOM 1329 CA LEU A 85 4.892 -10.982 1.368 1.00 0.00 C ATOM 1330 C LEU A 85 5.251 -9.628 1.993 1.00 0.00 C ATOM 1331 O LEU A 85 5.787 -8.760 1.342 1.00 0.00 O ATOM 1332 CB LEU A 85 3.727 -10.862 0.347 1.00 0.00 C ATOM 1333 CG LEU A 85 2.354 -10.331 0.819 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.447 -10.137 -0.381 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.676 -11.273 1.808 1.00 0.00 C ATOM 0 H LEU A 85 3.680 -12.138 2.623 1.00 0.00 H new ATOM 0 HA LEU A 85 5.761 -11.312 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.067 -10.215 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.565 -11.851 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 85 2.530 -9.383 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.479 -9.763 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.898 -9.419 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.311 -11.090 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.715 -10.855 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.518 -12.243 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.309 -11.396 2.686 1.00 0.00 H new ATOM 1347 N CYS A 86 5.009 -9.480 3.263 1.00 0.00 N ATOM 1348 CA CYS A 86 5.335 -8.239 3.959 1.00 0.00 C ATOM 1349 C CYS A 86 6.845 -8.146 4.152 1.00 0.00 C ATOM 1350 O CYS A 86 7.445 -7.089 4.017 1.00 0.00 O ATOM 1351 CB CYS A 86 4.628 -8.225 5.281 1.00 0.00 C ATOM 1352 SG CYS A 86 5.004 -6.843 6.364 1.00 0.00 S ATOM 0 H CYS A 86 4.586 -10.197 3.852 1.00 0.00 H new ATOM 0 HA CYS A 86 5.010 -7.379 3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.554 -8.233 5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.868 -9.149 5.808 1.00 0.00 H new ATOM 0 HG CYS A 86 4.324 -6.958 7.466 1.00 0.00 H new ATOM 1358 N LYS A 87 7.448 -9.276 4.417 1.00 0.00 N ATOM 1359 CA LYS A 87 8.883 -9.394 4.532 1.00 0.00 C ATOM 1360 C LYS A 87 9.530 -9.175 3.170 1.00 0.00 C ATOM 1361 O LYS A 87 10.680 -8.769 3.066 1.00 0.00 O ATOM 1362 CB LYS A 87 9.219 -10.750 5.104 1.00 0.00 C ATOM 1363 CG LYS A 87 8.836 -10.883 6.582 1.00 0.00 C ATOM 1364 CD LYS A 87 8.834 -12.327 7.041 1.00 0.00 C ATOM 1365 CE LYS A 87 10.135 -13.003 6.727 1.00 0.00 C ATOM 1366 NZ LYS A 87 11.285 -12.403 7.447 1.00 0.00 N ATOM 0 H LYS A 87 6.951 -10.155 4.562 1.00 0.00 H new ATOM 0 HA LYS A 87 9.275 -8.632 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.704 -11.519 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.288 -10.931 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.536 -10.310 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.848 -10.451 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.650 -12.369 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.018 -12.863 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.062 -14.059 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.317 -12.950 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.142 -12.961 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.429 -11.427 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.092 -12.400 8.469 1.00 0.00 H new ATOM 1380 N MET A 88 8.754 -9.404 2.134 1.00 0.00 N ATOM 1381 CA MET A 88 9.176 -9.110 0.785 1.00 0.00 C ATOM 1382 C MET A 88 9.167 -7.615 0.597 1.00 0.00 C ATOM 1383 O MET A 88 10.030 -7.076 -0.021 1.00 0.00 O ATOM 1384 CB MET A 88 8.262 -9.768 -0.230 1.00 0.00 C ATOM 1385 CG MET A 88 8.326 -11.274 -0.225 1.00 0.00 C ATOM 1386 SD MET A 88 7.011 -12.034 -1.196 1.00 0.00 S ATOM 1387 CE MET A 88 7.263 -11.263 -2.790 1.00 0.00 C ATOM 0 H MET A 88 7.816 -9.798 2.204 1.00 0.00 H new ATOM 0 HA MET A 88 10.180 -9.505 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.236 -9.457 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.521 -9.407 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.292 -11.593 -0.617 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.265 -11.632 0.803 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.685 -11.794 -3.546 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.937 -10.224 -2.747 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.321 -11.301 -3.049 1.00 0.00 H new ATOM 1397 N ALA A 89 8.197 -6.941 1.198 1.00 0.00 N ATOM 1398 CA ALA A 89 8.125 -5.492 1.131 1.00 0.00 C ATOM 1399 C ALA A 89 9.318 -4.902 1.874 1.00 0.00 C ATOM 1400 O ALA A 89 9.882 -3.893 1.464 1.00 0.00 O ATOM 1401 CB ALA A 89 6.812 -4.979 1.712 1.00 0.00 C ATOM 0 H ALA A 89 7.449 -7.377 1.738 1.00 0.00 H new ATOM 0 HA ALA A 89 8.158 -5.179 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.786 -3.891 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.977 -5.395 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.732 -5.283 2.756 1.00 0.00 H new ATOM 1407 N LYS A 90 9.715 -5.568 2.950 1.00 0.00 N ATOM 1408 CA LYS A 90 10.913 -5.198 3.694 1.00 0.00 C ATOM 1409 C LYS A 90 12.135 -5.294 2.785 1.00 0.00 C ATOM 1410 O LYS A 90 12.971 -4.405 2.746 1.00 0.00 O ATOM 1411 CB LYS A 90 11.136 -6.141 4.889 1.00 0.00 C ATOM 1412 CG LYS A 90 10.095 -6.090 5.996 1.00 0.00 C ATOM 1413 CD LYS A 90 10.063 -4.734 6.663 1.00 0.00 C ATOM 1414 CE LYS A 90 9.239 -4.771 7.936 1.00 0.00 C ATOM 1415 NZ LYS A 90 9.234 -3.474 8.650 1.00 0.00 N ATOM 0 H LYS A 90 9.220 -6.375 3.330 1.00 0.00 H new ATOM 0 HA LYS A 90 10.777 -4.179 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.184 -7.163 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.109 -5.915 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.112 -6.317 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.314 -6.857 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.079 -4.414 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.645 -3.997 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.214 -5.051 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.633 -5.544 8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.565 -3.518 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.188 -3.273 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.946 -2.719 7.996 1.00 0.00 H new ATOM 1429 N ALA A 91 12.193 -6.356 2.020 1.00 0.00 N ATOM 1430 CA ALA A 91 13.345 -6.642 1.190 1.00 0.00 C ATOM 1431 C ALA A 91 13.254 -6.017 -0.211 1.00 0.00 C ATOM 1432 O ALA A 91 14.200 -6.104 -1.001 1.00 0.00 O ATOM 1433 CB ALA A 91 13.551 -8.155 1.110 1.00 0.00 C ATOM 0 H ALA A 91 11.446 -7.048 1.953 1.00 0.00 H new ATOM 0 HA ALA A 91 14.212 -6.178 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.418 -8.372 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.716 -8.553 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.666 -8.620 0.676 1.00 0.00 H new ATOM 1439 N GLU A 92 12.143 -5.386 -0.520 1.00 0.00 N ATOM 1440 CA GLU A 92 11.953 -4.833 -1.852 1.00 0.00 C ATOM 1441 C GLU A 92 11.502 -3.395 -1.845 1.00 0.00 C ATOM 1442 O GLU A 92 12.057 -2.568 -2.554 1.00 0.00 O ATOM 1443 CB GLU A 92 10.956 -5.668 -2.655 1.00 0.00 C ATOM 1444 CG GLU A 92 11.390 -7.104 -2.849 1.00 0.00 C ATOM 1445 CD GLU A 92 10.742 -7.806 -4.011 1.00 0.00 C ATOM 1446 OE1 GLU A 92 11.297 -7.732 -5.128 1.00 0.00 O ATOM 1447 OE2 GLU A 92 9.733 -8.512 -3.830 1.00 0.00 O ATOM 0 H GLU A 92 11.363 -5.241 0.121 1.00 0.00 H new ATOM 0 HA GLU A 92 12.935 -4.866 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.991 -5.654 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.810 -5.206 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.471 -7.127 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.172 -7.661 -1.938 1.00 0.00 H new ATOM 1454 N MET A 93 10.518 -3.084 -1.039 1.00 0.00 N ATOM 1455 CA MET A 93 9.912 -1.772 -1.078 1.00 0.00 C ATOM 1456 C MET A 93 10.733 -0.767 -0.294 1.00 0.00 C ATOM 1457 O MET A 93 10.614 0.464 -0.488 1.00 0.00 O ATOM 1458 CB MET A 93 8.518 -1.791 -0.499 1.00 0.00 C ATOM 1459 CG MET A 93 7.729 -0.638 -0.997 1.00 0.00 C ATOM 1460 SD MET A 93 6.314 -0.235 0.003 1.00 0.00 S ATOM 1461 CE MET A 93 5.923 1.352 -0.707 1.00 0.00 C ATOM 0 H MET A 93 10.118 -3.719 -0.348 1.00 0.00 H new ATOM 0 HA MET A 93 9.870 -1.481 -2.128 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.020 -2.722 -0.768 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.570 -1.760 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.379 0.235 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.393 -0.853 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.894 1.616 -0.463 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.597 2.107 -0.303 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.038 1.304 -1.790 1.00 0.00 H new