USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 967 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 66 MET CE :methyl -140:sc= -3.58! (180deg=-2.4) USER MOD Set 1.2: A 69 TYR OH : rot 0:sc= -0.496 USER MOD Set 1.3: A 82 LYS NZ :NH3+ -159:sc= -1.93 (180deg=-3.53!) USER MOD Set 2.1: A 57 THR OG1 : rot 57:sc= -0.129 USER MOD Set 2.2: A 58 ASN : amide:sc= -7.32! C(o=-7.3!,f=-6!) USER MOD Set 2.3: A 90 TYR OH : rot 30:sc= 0.152 USER MOD Set 2.4: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 GLN : amide:sc= -1.33 K(o=-5.4,f=-3.2) USER MOD Set 3.2: A 79 GLN : amide:sc= -4.02! C(o=-5.4!,f=-4.5!) USER MOD Single : A 12 CYS SG : rot -79:sc= -1.16 USER MOD Single : A 15 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 25 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.4!) USER MOD Single : A 32 TYR OH : rot -120:sc= -6.83! USER MOD Single : A 33 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -78:sc= 0.553 USER MOD Single : A 61 TYR OH : rot 80:sc= -3.38! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -160:sc= 0 USER MOD Single : A 93 SER OG : rot -137:sc= -2.87! USER MOD Single : A 96 SER OG : rot 180:sc= -0.62 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.139) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -71:sc= 0.975 USER MOD Single : A 120 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=-0.25) USER MOD Single : A 121 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0244) USER MOD Single : A 124 ASN : amide:sc= -3.45! C(o=-3.5!,f=-5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 118.955 0.632 -8.198 1.00 0.00 N ATOM 125 CA ARG A 8 118.479 -0.627 -7.637 1.00 0.00 C ATOM 126 C ARG A 8 118.693 -0.666 -6.128 1.00 0.00 C ATOM 127 O ARG A 8 117.824 -1.125 -5.385 1.00 0.00 O ATOM 128 CB ARG A 8 119.197 -1.806 -8.296 1.00 0.00 C ATOM 129 CG ARG A 8 118.386 -2.479 -9.391 1.00 0.00 C ATOM 130 CD ARG A 8 118.658 -3.973 -9.448 1.00 0.00 C ATOM 131 NE ARG A 8 118.158 -4.573 -10.681 1.00 0.00 N ATOM 132 CZ ARG A 8 118.220 -5.874 -10.945 1.00 0.00 C ATOM 133 NH1 ARG A 8 118.760 -6.706 -10.064 1.00 0.00 N ATOM 134 NH2 ARG A 8 117.743 -6.345 -12.089 1.00 0.00 N ATOM 0 HA ARG A 8 117.410 -0.704 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 8 120.140 -1.457 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 8 119.443 -2.544 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.324 -2.308 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 8 118.627 -2.027 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 8 119.731 -4.150 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 8 118.190 -4.460 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 8 117.738 -3.960 -11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 8 119.128 -6.347 -9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 8 118.807 -7.704 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 8 117.327 -5.708 -12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 8 117.792 -7.344 -12.289 1.00 0.00 H new ATOM 148 N ALA A 9 119.858 -0.181 -5.692 1.00 0.00 N ATOM 149 CA ALA A 9 120.216 -0.147 -4.274 1.00 0.00 C ATOM 150 C ALA A 9 118.980 -0.167 -3.379 1.00 0.00 C ATOM 151 O ALA A 9 118.658 -1.192 -2.776 1.00 0.00 O ATOM 152 CB ALA A 9 121.069 1.079 -3.979 1.00 0.00 C ATOM 0 H ALA A 9 120.576 0.197 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 9 120.793 -1.045 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.330 1.095 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.980 1.041 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.509 1.980 -4.228 1.00 0.00 H new ATOM 158 N ARG A 10 118.290 0.965 -3.301 1.00 0.00 N ATOM 159 CA ARG A 10 117.092 1.073 -2.479 1.00 0.00 C ATOM 160 C ARG A 10 116.294 -0.226 -2.501 1.00 0.00 C ATOM 161 O ARG A 10 116.126 -0.881 -1.473 1.00 0.00 O ATOM 162 CB ARG A 10 116.217 2.230 -2.966 1.00 0.00 C ATOM 163 CG ARG A 10 116.499 2.645 -4.401 1.00 0.00 C ATOM 164 CD ARG A 10 117.318 3.923 -4.461 1.00 0.00 C ATOM 165 NE ARG A 10 116.981 4.734 -5.627 1.00 0.00 N ATOM 166 CZ ARG A 10 115.769 5.229 -5.856 1.00 0.00 C ATOM 167 NH1 ARG A 10 114.782 4.994 -5.002 1.00 0.00 N ATOM 168 NH2 ARG A 10 115.543 5.960 -6.938 1.00 0.00 N ATOM 0 H ARG A 10 118.540 1.820 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 10 117.404 1.267 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.169 1.943 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.368 3.089 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.033 1.845 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 10 115.557 2.790 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 10 117.150 4.504 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 10 118.379 3.673 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 10 117.717 4.932 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.952 4.433 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.853 5.375 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.300 6.144 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.612 6.339 -7.112 1.00 0.00 H new ATOM 182 N GLU A 11 115.804 -0.590 -3.679 1.00 0.00 N ATOM 183 CA GLU A 11 115.021 -1.808 -3.837 1.00 0.00 C ATOM 184 C GLU A 11 115.800 -3.031 -3.367 1.00 0.00 C ATOM 185 O GLU A 11 115.276 -3.870 -2.639 1.00 0.00 O ATOM 186 CB GLU A 11 114.610 -1.983 -5.299 1.00 0.00 C ATOM 187 CG GLU A 11 113.773 -0.833 -5.837 1.00 0.00 C ATOM 188 CD GLU A 11 113.399 -1.016 -7.294 1.00 0.00 C ATOM 189 OE1 GLU A 11 114.302 -1.306 -8.107 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.203 -0.870 -7.623 1.00 0.00 O ATOM 0 H GLU A 11 115.935 -0.058 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 11 114.128 -1.716 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 11 115.507 -2.086 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 11 114.047 -2.910 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.865 -0.740 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.326 0.099 -5.722 1.00 0.00 H new ATOM 197 N CYS A 12 117.054 -3.133 -3.786 1.00 0.00 N ATOM 198 CA CYS A 12 117.887 -4.264 -3.404 1.00 0.00 C ATOM 199 C CYS A 12 118.019 -4.360 -1.888 1.00 0.00 C ATOM 200 O CYS A 12 118.140 -5.453 -1.333 1.00 0.00 O ATOM 201 CB CYS A 12 119.272 -4.143 -4.041 1.00 0.00 C ATOM 202 SG CYS A 12 120.336 -5.581 -3.772 1.00 0.00 S ATOM 0 H CYS A 12 117.515 -2.450 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 12 117.406 -5.173 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 12 119.155 -3.987 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.768 -3.258 -3.642 1.00 0.00 H new ATOM 0 HG CYS A 12 120.838 -5.531 -2.574 1.00 0.00 H new ATOM 208 N ALA A 13 117.995 -3.211 -1.224 1.00 0.00 N ATOM 209 CA ALA A 13 118.125 -3.168 0.225 1.00 0.00 C ATOM 210 C ALA A 13 116.991 -3.916 0.915 1.00 0.00 C ATOM 211 O ALA A 13 117.220 -4.622 1.899 1.00 0.00 O ATOM 212 CB ALA A 13 118.198 -1.723 0.701 1.00 0.00 C ATOM 0 H ALA A 13 117.887 -2.298 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 13 119.052 -3.673 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.295 -1.702 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.062 -1.235 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.289 -1.197 0.408 1.00 0.00 H new ATOM 218 N VAL A 14 115.774 -3.787 0.398 1.00 0.00 N ATOM 219 CA VAL A 14 114.639 -4.483 0.989 1.00 0.00 C ATOM 220 C VAL A 14 114.849 -5.990 0.924 1.00 0.00 C ATOM 221 O VAL A 14 114.445 -6.724 1.826 1.00 0.00 O ATOM 222 CB VAL A 14 113.309 -4.112 0.311 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.031 -2.627 0.475 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.324 -4.499 -1.156 1.00 0.00 C ATOM 0 H VAL A 14 115.550 -3.216 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 14 114.578 -4.166 2.030 1.00 0.00 H new ATOM 0 HB VAL A 14 112.507 -4.669 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.087 -2.378 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 14 112.970 -2.383 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.836 -2.053 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.373 -4.227 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 14 114.134 -3.974 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.476 -5.575 -1.247 1.00 0.00 H new ATOM 234 N GLN A 15 115.510 -6.446 -0.139 1.00 0.00 N ATOM 235 CA GLN A 15 115.799 -7.860 -0.305 1.00 0.00 C ATOM 236 C GLN A 15 116.620 -8.337 0.874 1.00 0.00 C ATOM 237 O GLN A 15 116.383 -9.412 1.426 1.00 0.00 O ATOM 238 CB GLN A 15 116.563 -8.105 -1.609 1.00 0.00 C ATOM 239 CG GLN A 15 115.735 -7.858 -2.858 1.00 0.00 C ATOM 240 CD GLN A 15 114.264 -8.161 -2.652 1.00 0.00 C ATOM 241 OE1 GLN A 15 113.897 -9.258 -2.230 1.00 0.00 O ATOM 242 NE2 GLN A 15 113.411 -7.188 -2.949 1.00 0.00 N ATOM 0 H GLN A 15 115.853 -5.853 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 15 114.862 -8.414 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.441 -7.459 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.924 -9.134 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.848 -6.818 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.119 -8.474 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.758 -6.294 -3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.409 -7.335 -2.830 1.00 0.00 H new ATOM 251 N ALA A 16 117.574 -7.505 1.276 1.00 0.00 N ATOM 252 CA ALA A 16 118.417 -7.815 2.411 1.00 0.00 C ATOM 253 C ALA A 16 117.582 -7.768 3.675 1.00 0.00 C ATOM 254 O ALA A 16 117.792 -8.548 4.604 1.00 0.00 O ATOM 255 CB ALA A 16 119.577 -6.841 2.486 1.00 0.00 C ATOM 0 H ALA A 16 117.778 -6.611 0.829 1.00 0.00 H new ATOM 0 HA ALA A 16 118.833 -8.816 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.203 -7.086 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 16 120.169 -6.910 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.194 -5.826 2.594 1.00 0.00 H new ATOM 261 N LEU A 17 116.598 -6.871 3.683 1.00 0.00 N ATOM 262 CA LEU A 17 115.701 -6.755 4.817 1.00 0.00 C ATOM 263 C LEU A 17 115.010 -8.090 5.006 1.00 0.00 C ATOM 264 O LEU A 17 114.735 -8.514 6.129 1.00 0.00 O ATOM 265 CB LEU A 17 114.671 -5.648 4.585 1.00 0.00 C ATOM 266 CG LEU A 17 114.992 -4.311 5.257 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.920 -3.282 4.939 1.00 0.00 C ATOM 268 CD2 LEU A 17 115.131 -4.492 6.761 1.00 0.00 C ATOM 0 H LEU A 17 116.407 -6.221 2.920 1.00 0.00 H new ATOM 0 HA LEU A 17 116.266 -6.492 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.573 -5.483 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.702 -5.994 4.944 1.00 0.00 H new ATOM 0 HG LEU A 17 115.942 -3.947 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.166 -2.338 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.868 -3.132 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.956 -3.637 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 17 115.359 -3.532 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 17 114.197 -4.878 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.937 -5.196 6.970 1.00 0.00 H new ATOM 280 N TYR A 18 114.772 -8.769 3.887 1.00 0.00 N ATOM 281 CA TYR A 18 114.157 -10.086 3.920 1.00 0.00 C ATOM 282 C TYR A 18 115.143 -11.084 4.517 1.00 0.00 C ATOM 283 O TYR A 18 114.779 -11.924 5.339 1.00 0.00 O ATOM 284 CB TYR A 18 113.749 -10.523 2.511 1.00 0.00 C ATOM 285 CG TYR A 18 113.256 -11.950 2.433 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.380 -12.458 3.386 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.666 -12.791 1.406 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.928 -13.762 3.316 1.00 0.00 C ATOM 289 CE2 TYR A 18 113.216 -14.096 1.328 1.00 0.00 C ATOM 290 CZ TYR A 18 112.348 -14.577 2.286 1.00 0.00 C ATOM 291 OH TYR A 18 111.900 -15.876 2.213 1.00 0.00 O ATOM 0 H TYR A 18 114.996 -8.428 2.952 1.00 0.00 H new ATOM 0 HA TYR A 18 113.259 -10.048 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.966 -9.858 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.603 -10.406 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 18 112.048 -11.823 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 18 114.348 -12.419 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 18 111.249 -14.141 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 18 113.542 -14.735 0.521 1.00 0.00 H new ATOM 0 HH TYR A 18 112.290 -16.313 1.427 1.00 0.00 H new ATOM 301 N SER A 19 116.404 -10.962 4.105 1.00 0.00 N ATOM 302 CA SER A 19 117.469 -11.826 4.604 1.00 0.00 C ATOM 303 C SER A 19 117.766 -11.509 6.064 1.00 0.00 C ATOM 304 O SER A 19 118.134 -12.387 6.844 1.00 0.00 O ATOM 305 CB SER A 19 118.735 -11.653 3.762 1.00 0.00 C ATOM 306 OG SER A 19 118.419 -11.504 2.388 1.00 0.00 O ATOM 0 H SER A 19 116.713 -10.269 3.423 1.00 0.00 H new ATOM 0 HA SER A 19 117.137 -12.862 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 19 119.289 -10.780 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.386 -12.517 3.897 1.00 0.00 H new ATOM 0 HG SER A 19 119.245 -11.393 1.872 1.00 0.00 H new ATOM 312 N TRP A 20 117.606 -10.238 6.420 1.00 0.00 N ATOM 313 CA TRP A 20 117.855 -9.776 7.781 1.00 0.00 C ATOM 314 C TRP A 20 116.952 -10.497 8.772 1.00 0.00 C ATOM 315 O TRP A 20 117.410 -11.014 9.789 1.00 0.00 O ATOM 316 CB TRP A 20 117.584 -8.275 7.865 1.00 0.00 C ATOM 317 CG TRP A 20 118.084 -7.635 9.124 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.162 -8.016 9.870 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.519 -6.496 9.785 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.304 -7.180 10.953 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.307 -6.239 10.924 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.424 -5.668 9.524 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.034 -5.187 11.796 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.154 -4.626 10.391 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.956 -4.393 11.515 1.00 0.00 C ATOM 0 H TRP A 20 117.303 -9.505 5.779 1.00 0.00 H new ATOM 0 HA TRP A 20 118.894 -9.988 8.032 1.00 0.00 H new ATOM 0 HB2 TRP A 20 118.049 -7.784 7.010 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.510 -8.105 7.785 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.808 -8.851 9.643 1.00 0.00 H new ATOM 0 HE1 TRP A 20 120.033 -7.249 11.663 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.799 -5.839 8.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.652 -5.005 12.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.310 -3.980 10.198 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.719 -3.570 12.173 1.00 0.00 H new ATOM 336 N GLN A 21 115.663 -10.519 8.464 1.00 0.00 N ATOM 337 CA GLN A 21 114.679 -11.169 9.323 1.00 0.00 C ATOM 338 C GLN A 21 114.879 -12.681 9.347 1.00 0.00 C ATOM 339 O GLN A 21 114.741 -13.318 10.392 1.00 0.00 O ATOM 340 CB GLN A 21 113.262 -10.837 8.849 1.00 0.00 C ATOM 341 CG GLN A 21 112.283 -11.990 9.000 1.00 0.00 C ATOM 342 CD GLN A 21 110.863 -11.520 9.243 1.00 0.00 C ATOM 343 OE1 GLN A 21 110.622 -10.629 10.058 1.00 0.00 O ATOM 344 NE2 GLN A 21 109.912 -12.119 8.537 1.00 0.00 N ATOM 0 H GLN A 21 115.272 -10.093 7.624 1.00 0.00 H new ATOM 0 HA GLN A 21 114.817 -10.792 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.891 -9.981 9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.299 -10.538 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.309 -12.605 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 21 112.599 -12.624 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.156 -12.853 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 21 108.937 -11.845 8.659 1.00 0.00 H new ATOM 353 N LEU A 22 115.195 -13.252 8.190 1.00 0.00 N ATOM 354 CA LEU A 22 115.405 -14.692 8.080 1.00 0.00 C ATOM 355 C LEU A 22 116.776 -15.094 8.617 1.00 0.00 C ATOM 356 O LEU A 22 116.893 -16.028 9.411 1.00 0.00 O ATOM 357 CB LEU A 22 115.268 -15.137 6.623 1.00 0.00 C ATOM 358 CG LEU A 22 113.862 -15.005 6.035 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.746 -15.803 4.745 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.818 -15.463 7.042 1.00 0.00 C ATOM 0 H LEU A 22 115.311 -12.741 7.315 1.00 0.00 H new ATOM 0 HA LEU A 22 114.643 -15.187 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.956 -14.551 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.581 -16.178 6.546 1.00 0.00 H new ATOM 0 HG LEU A 22 113.682 -13.955 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.739 -15.697 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.469 -15.429 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 22 113.947 -16.855 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.824 -15.362 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 22 112.996 -16.506 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.885 -14.849 7.940 1.00 0.00 H new ATOM 372 N SER A 23 117.812 -14.388 8.175 1.00 0.00 N ATOM 373 CA SER A 23 119.175 -14.678 8.606 1.00 0.00 C ATOM 374 C SER A 23 119.474 -14.036 9.958 1.00 0.00 C ATOM 375 O SER A 23 120.419 -14.428 10.643 1.00 0.00 O ATOM 376 CB SER A 23 120.177 -14.183 7.562 1.00 0.00 C ATOM 377 OG SER A 23 121.510 -14.406 7.987 1.00 0.00 O ATOM 0 H SER A 23 117.734 -13.611 7.519 1.00 0.00 H new ATOM 0 HA SER A 23 119.271 -15.759 8.712 1.00 0.00 H new ATOM 0 HB2 SER A 23 120.003 -14.695 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.023 -13.119 7.382 1.00 0.00 H new ATOM 0 HG SER A 23 122.131 -14.082 7.301 1.00 0.00 H new ATOM 383 N GLN A 24 118.670 -13.047 10.335 1.00 0.00 N ATOM 384 CA GLN A 24 118.859 -12.356 11.605 1.00 0.00 C ATOM 385 C GLN A 24 120.241 -11.710 11.668 1.00 0.00 C ATOM 386 O GLN A 24 120.775 -11.467 12.750 1.00 0.00 O ATOM 387 CB GLN A 24 118.686 -13.331 12.771 1.00 0.00 C ATOM 388 CG GLN A 24 117.426 -14.175 12.676 1.00 0.00 C ATOM 389 CD GLN A 24 117.143 -14.946 13.950 1.00 0.00 C ATOM 390 OE1 GLN A 24 118.009 -15.076 14.816 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.927 -15.465 14.071 1.00 0.00 N ATOM 0 H GLN A 24 117.884 -12.707 9.781 1.00 0.00 H new ATOM 0 HA GLN A 24 118.105 -11.573 11.682 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.553 -13.991 12.814 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.667 -12.768 13.704 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.577 -13.530 12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.524 -14.875 11.846 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.240 -15.333 13.329 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.680 -15.996 14.906 1.00 0.00 H new ATOM 400 N ASN A 25 120.813 -11.440 10.500 1.00 0.00 N ATOM 401 CA ASN A 25 122.133 -10.825 10.417 1.00 0.00 C ATOM 402 C ASN A 25 122.082 -9.362 10.847 1.00 0.00 C ATOM 403 O ASN A 25 121.212 -8.959 11.618 1.00 0.00 O ATOM 404 CB ASN A 25 122.679 -10.931 8.993 1.00 0.00 C ATOM 405 CG ASN A 25 124.157 -11.266 8.963 1.00 0.00 C ATOM 406 OD1 ASN A 25 124.696 -11.833 9.914 1.00 0.00 O ATOM 407 ND2 ASN A 25 124.820 -10.918 7.867 1.00 0.00 N ATOM 0 H ASN A 25 120.383 -11.638 9.596 1.00 0.00 H new ATOM 0 HA ASN A 25 122.798 -11.360 11.095 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.125 -11.697 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 25 122.513 -9.988 8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 25 125.817 -11.119 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 124.333 -10.450 7.103 1.00 0.00 H new ATOM 414 N ASP A 26 123.024 -8.570 10.342 1.00 0.00 N ATOM 415 CA ASP A 26 123.090 -7.152 10.672 1.00 0.00 C ATOM 416 C ASP A 26 122.049 -6.359 9.889 1.00 0.00 C ATOM 417 O ASP A 26 121.181 -5.723 10.481 1.00 0.00 O ATOM 418 CB ASP A 26 124.489 -6.605 10.382 1.00 0.00 C ATOM 419 CG ASP A 26 125.539 -7.180 11.312 1.00 0.00 C ATOM 420 OD1 ASP A 26 125.213 -7.439 12.489 1.00 0.00 O ATOM 421 OD2 ASP A 26 126.688 -7.372 10.862 1.00 0.00 O ATOM 0 H ASP A 26 123.752 -8.888 9.702 1.00 0.00 H new ATOM 0 HA ASP A 26 122.877 -7.043 11.735 1.00 0.00 H new ATOM 0 HB2 ASP A 26 124.758 -6.832 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 26 124.479 -5.519 10.477 1.00 0.00 H new ATOM 426 N ILE A 27 122.158 -6.416 8.556 1.00 0.00 N ATOM 427 CA ILE A 27 121.249 -5.721 7.636 1.00 0.00 C ATOM 428 C ILE A 27 121.955 -4.574 6.931 1.00 0.00 C ATOM 429 O ILE A 27 121.757 -4.350 5.738 1.00 0.00 O ATOM 430 CB ILE A 27 119.983 -5.163 8.330 1.00 0.00 C ATOM 431 CG1 ILE A 27 118.835 -4.955 7.330 1.00 0.00 C ATOM 432 CG2 ILE A 27 120.296 -3.846 9.027 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.029 -5.640 5.992 1.00 0.00 C ATOM 0 H ILE A 27 122.886 -6.950 8.082 1.00 0.00 H new ATOM 0 HA ILE A 27 120.936 -6.477 6.916 1.00 0.00 H new ATOM 0 HB ILE A 27 119.665 -5.899 9.068 1.00 0.00 H new ATOM 0 HG12 ILE A 27 117.910 -5.319 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 27 118.708 -3.886 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 27 119.395 -3.467 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 27 121.070 -4.006 9.777 1.00 0.00 H new ATOM 0 HG23 ILE A 27 120.647 -3.120 8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.170 -5.438 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.933 -5.260 5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 27 119.123 -6.715 6.144 1.00 0.00 H new ATOM 445 N ALA A 28 122.776 -3.844 7.674 1.00 0.00 N ATOM 446 CA ALA A 28 123.499 -2.721 7.107 1.00 0.00 C ATOM 447 C ALA A 28 124.552 -3.188 6.115 1.00 0.00 C ATOM 448 O ALA A 28 124.586 -2.731 4.981 1.00 0.00 O ATOM 449 CB ALA A 28 124.140 -1.894 8.211 1.00 0.00 C ATOM 0 H ALA A 28 122.955 -4.010 8.664 1.00 0.00 H new ATOM 0 HA ALA A 28 122.785 -2.098 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.679 -1.055 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.366 -1.517 8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.835 -2.516 8.775 1.00 0.00 H new ATOM 455 N ASP A 29 125.413 -4.091 6.555 1.00 0.00 N ATOM 456 CA ASP A 29 126.477 -4.616 5.707 1.00 0.00 C ATOM 457 C ASP A 29 125.970 -5.619 4.665 1.00 0.00 C ATOM 458 O ASP A 29 126.584 -5.785 3.615 1.00 0.00 O ATOM 459 CB ASP A 29 127.554 -5.275 6.571 1.00 0.00 C ATOM 460 CG ASP A 29 128.948 -4.794 6.223 1.00 0.00 C ATOM 461 OD1 ASP A 29 129.145 -3.565 6.125 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.845 -5.647 6.050 1.00 0.00 O ATOM 0 H ASP A 29 125.398 -4.479 7.498 1.00 0.00 H new ATOM 0 HA ASP A 29 126.893 -3.769 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.352 -5.065 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.504 -6.357 6.447 1.00 0.00 H new ATOM 467 N VAL A 30 124.894 -6.334 4.986 1.00 0.00 N ATOM 468 CA VAL A 30 124.370 -7.376 4.096 1.00 0.00 C ATOM 469 C VAL A 30 123.740 -6.866 2.792 1.00 0.00 C ATOM 470 O VAL A 30 124.091 -7.340 1.711 1.00 0.00 O ATOM 471 CB VAL A 30 123.322 -8.241 4.829 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.096 -7.417 5.178 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.927 -9.447 3.990 1.00 0.00 C ATOM 0 H VAL A 30 124.367 -6.214 5.851 1.00 0.00 H new ATOM 0 HA VAL A 30 125.250 -7.956 3.817 1.00 0.00 H new ATOM 0 HB VAL A 30 123.773 -8.601 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.370 -8.045 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.386 -6.590 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.650 -7.023 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.188 -10.039 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.502 -9.109 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.808 -10.058 3.794 1.00 0.00 H new ATOM 483 N GLU A 31 122.791 -5.941 2.882 1.00 0.00 N ATOM 484 CA GLU A 31 122.098 -5.459 1.679 1.00 0.00 C ATOM 485 C GLU A 31 123.047 -4.978 0.586 1.00 0.00 C ATOM 486 O GLU A 31 122.942 -5.402 -0.565 1.00 0.00 O ATOM 487 CB GLU A 31 121.119 -4.330 2.044 1.00 0.00 C ATOM 488 CG GLU A 31 121.356 -3.020 1.295 1.00 0.00 C ATOM 489 CD GLU A 31 121.157 -3.137 -0.206 1.00 0.00 C ATOM 490 OE1 GLU A 31 120.747 -4.223 -0.668 1.00 0.00 O ATOM 491 OE2 GLU A 31 121.410 -2.142 -0.918 1.00 0.00 O ATOM 0 H GLU A 31 122.484 -5.513 3.755 1.00 0.00 H new ATOM 0 HA GLU A 31 121.556 -6.315 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 31 120.102 -4.669 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 31 121.187 -4.139 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.679 -2.260 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 122.371 -2.675 1.493 1.00 0.00 H new ATOM 498 N TYR A 32 123.938 -4.077 0.934 1.00 0.00 N ATOM 499 CA TYR A 32 124.873 -3.512 -0.031 1.00 0.00 C ATOM 500 C TYR A 32 125.926 -4.515 -0.478 1.00 0.00 C ATOM 501 O TYR A 32 126.465 -4.402 -1.580 1.00 0.00 O ATOM 502 CB TYR A 32 125.512 -2.254 0.542 1.00 0.00 C ATOM 503 CG TYR A 32 124.498 -1.361 1.216 1.00 0.00 C ATOM 504 CD1 TYR A 32 124.100 -1.616 2.514 1.00 0.00 C ATOM 505 CD2 TYR A 32 123.923 -0.285 0.554 1.00 0.00 C ATOM 506 CE1 TYR A 32 123.159 -0.832 3.146 1.00 0.00 C ATOM 507 CE2 TYR A 32 122.981 0.508 1.177 1.00 0.00 C ATOM 508 CZ TYR A 32 122.602 0.232 2.472 1.00 0.00 C ATOM 509 OH TYR A 32 121.667 1.026 3.093 1.00 0.00 O ATOM 0 H TYR A 32 124.040 -3.714 1.882 1.00 0.00 H new ATOM 0 HA TYR A 32 124.308 -3.247 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 32 126.283 -2.534 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 32 126.006 -1.702 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 32 124.536 -2.449 3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 32 124.217 -0.066 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.861 -1.050 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 32 122.542 1.343 0.651 1.00 0.00 H new ATOM 0 HH TYR A 32 120.827 0.998 2.589 1.00 0.00 H new ATOM 519 N GLN A 33 126.224 -5.498 0.364 1.00 0.00 N ATOM 520 CA GLN A 33 127.217 -6.499 0.007 1.00 0.00 C ATOM 521 C GLN A 33 126.673 -7.399 -1.092 1.00 0.00 C ATOM 522 O GLN A 33 127.420 -7.902 -1.931 1.00 0.00 O ATOM 523 CB GLN A 33 127.630 -7.310 1.233 1.00 0.00 C ATOM 524 CG GLN A 33 126.705 -8.476 1.539 1.00 0.00 C ATOM 525 CD GLN A 33 127.308 -9.814 1.158 1.00 0.00 C ATOM 526 OE1 GLN A 33 128.527 -9.980 1.156 1.00 0.00 O ATOM 527 NE2 GLN A 33 126.453 -10.776 0.832 1.00 0.00 N ATOM 0 H GLN A 33 125.799 -5.621 1.283 1.00 0.00 H new ATOM 0 HA GLN A 33 128.108 -5.996 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.640 -7.690 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.665 -6.649 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.469 -8.478 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.765 -8.340 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.450 -10.593 0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.800 -11.698 0.566 1.00 0.00 H new ATOM 536 N PHE A 34 125.355 -7.574 -1.093 1.00 0.00 N ATOM 537 CA PHE A 34 124.688 -8.383 -2.102 1.00 0.00 C ATOM 538 C PHE A 34 124.940 -7.798 -3.484 1.00 0.00 C ATOM 539 O PHE A 34 125.087 -8.523 -4.468 1.00 0.00 O ATOM 540 CB PHE A 34 123.186 -8.429 -1.824 1.00 0.00 C ATOM 541 CG PHE A 34 122.385 -9.115 -2.895 1.00 0.00 C ATOM 542 CD1 PHE A 34 122.290 -8.568 -4.166 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.724 -10.304 -2.631 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.550 -9.194 -5.152 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.983 -10.934 -3.613 1.00 0.00 C ATOM 546 CZ PHE A 34 120.897 -10.379 -4.875 1.00 0.00 C ATOM 0 H PHE A 34 124.727 -7.163 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 34 125.088 -9.396 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 34 123.018 -8.940 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.818 -7.410 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.800 -7.642 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 34 121.789 -10.743 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.483 -8.757 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 34 120.472 -11.860 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.320 -10.871 -5.644 1.00 0.00 H new ATOM 556 N LEU A 35 124.988 -6.471 -3.540 1.00 0.00 N ATOM 557 CA LEU A 35 125.223 -5.758 -4.791 1.00 0.00 C ATOM 558 C LEU A 35 126.553 -6.174 -5.410 1.00 0.00 C ATOM 559 O LEU A 35 126.708 -6.170 -6.630 1.00 0.00 O ATOM 560 CB LEU A 35 125.216 -4.244 -4.553 1.00 0.00 C ATOM 561 CG LEU A 35 124.055 -3.716 -3.707 1.00 0.00 C ATOM 562 CD1 LEU A 35 124.422 -2.384 -3.067 1.00 0.00 C ATOM 563 CD2 LEU A 35 122.801 -3.572 -4.557 1.00 0.00 C ATOM 0 H LEU A 35 124.867 -5.865 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 35 124.419 -6.015 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 35 126.152 -3.966 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 35 125.196 -3.742 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 35 123.853 -4.434 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.584 -2.024 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 125.294 -2.516 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 35 124.651 -1.657 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 121.985 -3.196 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 35 122.992 -2.874 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.527 -4.543 -4.968 1.00 0.00 H new ATOM 575 N ALA A 36 127.510 -6.528 -4.559 1.00 0.00 N ATOM 576 CA ALA A 36 128.829 -6.942 -5.021 1.00 0.00 C ATOM 577 C ALA A 36 128.743 -8.197 -5.882 1.00 0.00 C ATOM 578 O ALA A 36 129.571 -8.413 -6.767 1.00 0.00 O ATOM 579 CB ALA A 36 129.752 -7.178 -3.835 1.00 0.00 C ATOM 0 H ALA A 36 127.396 -6.536 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 36 129.239 -6.140 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.734 -7.487 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 129.849 -6.257 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 129.336 -7.960 -3.200 1.00 0.00 H new ATOM 707 N VAL A 45 128.363 1.959 -4.009 1.00 0.00 N ATOM 708 CA VAL A 45 127.221 1.962 -3.102 1.00 0.00 C ATOM 709 C VAL A 45 127.670 2.017 -1.649 1.00 0.00 C ATOM 710 O VAL A 45 126.866 1.838 -0.734 1.00 0.00 O ATOM 711 CB VAL A 45 126.347 0.712 -3.291 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.962 1.095 -3.788 1.00 0.00 C ATOM 713 CG2 VAL A 45 127.013 -0.269 -4.244 1.00 0.00 C ATOM 0 HA VAL A 45 126.639 2.852 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 45 126.236 0.222 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.359 0.196 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.484 1.752 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.048 1.612 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.378 -1.147 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 127.160 0.208 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.978 -0.572 -3.838 1.00 0.00 H new ATOM 723 N LEU A 46 128.955 2.265 -1.440 1.00 0.00 N ATOM 724 CA LEU A 46 129.502 2.336 -0.093 1.00 0.00 C ATOM 725 C LEU A 46 128.738 3.364 0.728 1.00 0.00 C ATOM 726 O LEU A 46 128.412 3.125 1.892 1.00 0.00 O ATOM 727 CB LEU A 46 130.987 2.698 -0.136 1.00 0.00 C ATOM 728 CG LEU A 46 131.897 1.806 0.712 1.00 0.00 C ATOM 729 CD1 LEU A 46 133.359 2.122 0.439 1.00 0.00 C ATOM 730 CD2 LEU A 46 131.578 1.977 2.189 1.00 0.00 C ATOM 0 H LEU A 46 129.636 2.420 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 46 129.396 1.358 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.326 2.656 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.103 3.730 0.196 1.00 0.00 H new ATOM 0 HG LEU A 46 131.716 0.767 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.991 1.478 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 46 133.578 1.950 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.558 3.165 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.233 1.336 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.732 3.017 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.540 1.700 2.371 1.00 0.00 H new ATOM 742 N TYR A 47 128.433 4.497 0.111 1.00 0.00 N ATOM 743 CA TYR A 47 127.686 5.547 0.785 1.00 0.00 C ATOM 744 C TYR A 47 126.301 5.038 1.168 1.00 0.00 C ATOM 745 O TYR A 47 125.801 5.323 2.257 1.00 0.00 O ATOM 746 CB TYR A 47 127.564 6.778 -0.115 1.00 0.00 C ATOM 747 CG TYR A 47 126.631 6.581 -1.288 1.00 0.00 C ATOM 748 CD1 TYR A 47 125.263 6.770 -1.151 1.00 0.00 C ATOM 749 CD2 TYR A 47 127.121 6.205 -2.533 1.00 0.00 C ATOM 750 CE1 TYR A 47 124.407 6.591 -2.221 1.00 0.00 C ATOM 751 CE2 TYR A 47 126.272 6.025 -3.607 1.00 0.00 C ATOM 752 CZ TYR A 47 124.917 6.219 -3.447 1.00 0.00 C ATOM 753 OH TYR A 47 124.068 6.040 -4.515 1.00 0.00 O ATOM 0 H TYR A 47 128.691 4.711 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 47 128.223 5.831 1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 47 127.212 7.620 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 47 128.553 7.044 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 47 124.861 7.062 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 128.182 6.051 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 47 123.345 6.742 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 47 126.668 5.733 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 47 124.586 5.780 -5.305 1.00 0.00 H new ATOM 763 N PHE A 48 125.692 4.268 0.268 1.00 0.00 N ATOM 764 CA PHE A 48 124.371 3.708 0.517 1.00 0.00 C ATOM 765 C PHE A 48 124.393 2.818 1.749 1.00 0.00 C ATOM 766 O PHE A 48 123.391 2.699 2.456 1.00 0.00 O ATOM 767 CB PHE A 48 123.862 2.914 -0.696 1.00 0.00 C ATOM 768 CG PHE A 48 122.425 3.211 -1.035 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.997 4.521 -1.175 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.498 2.185 -1.207 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.680 4.809 -1.477 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.182 2.471 -1.508 1.00 0.00 C ATOM 773 CZ PHE A 48 119.771 3.783 -1.642 1.00 0.00 C ATOM 0 H PHE A 48 126.093 4.020 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 48 123.687 4.539 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.487 3.141 -1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.969 1.848 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.703 5.328 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.812 1.157 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 48 120.362 5.836 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.472 1.668 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.740 4.006 -1.875 1.00 0.00 H new ATOM 783 N ARG A 49 125.532 2.179 2.000 1.00 0.00 N ATOM 784 CA ARG A 49 125.652 1.287 3.145 1.00 0.00 C ATOM 785 C ARG A 49 125.264 2.010 4.432 1.00 0.00 C ATOM 786 O ARG A 49 124.544 1.463 5.269 1.00 0.00 O ATOM 787 CB ARG A 49 127.077 0.726 3.250 1.00 0.00 C ATOM 788 CG ARG A 49 127.121 -0.762 3.588 1.00 0.00 C ATOM 789 CD ARG A 49 127.921 -1.556 2.560 1.00 0.00 C ATOM 790 NE ARG A 49 129.355 -1.298 2.664 1.00 0.00 N ATOM 791 CZ ARG A 49 130.240 -1.676 1.748 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.840 -2.324 0.663 1.00 0.00 N ATOM 793 NH2 ARG A 49 131.527 -1.406 1.917 1.00 0.00 N ATOM 0 H ARG A 49 126.375 2.262 1.432 1.00 0.00 H new ATOM 0 HA ARG A 49 124.967 0.452 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.595 0.892 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.622 1.281 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.563 -0.897 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 49 126.105 -1.153 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 49 127.733 -2.621 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 49 127.578 -1.300 1.558 1.00 0.00 H new ATOM 0 HE ARG A 49 129.696 -0.800 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.851 -2.534 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 49 130.522 -2.613 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.838 -0.908 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 49 132.206 -1.697 1.213 1.00 0.00 H new ATOM 807 N GLU A 50 125.716 3.251 4.570 1.00 0.00 N ATOM 808 CA GLU A 50 125.391 4.057 5.743 1.00 0.00 C ATOM 809 C GLU A 50 123.881 4.235 5.872 1.00 0.00 C ATOM 810 O GLU A 50 123.352 4.408 6.971 1.00 0.00 O ATOM 811 CB GLU A 50 126.075 5.422 5.655 1.00 0.00 C ATOM 812 CG GLU A 50 127.574 5.338 5.419 1.00 0.00 C ATOM 813 CD GLU A 50 128.219 4.194 6.174 1.00 0.00 C ATOM 814 OE1 GLU A 50 128.459 4.344 7.390 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.484 3.144 5.550 1.00 0.00 O ATOM 0 H GLU A 50 126.308 3.722 3.886 1.00 0.00 H new ATOM 0 HA GLU A 50 125.755 3.536 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.620 5.995 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.891 5.971 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.764 5.218 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 50 128.039 6.276 5.722 1.00 0.00 H new ATOM 822 N LEU A 51 123.201 4.215 4.731 1.00 0.00 N ATOM 823 CA LEU A 51 121.754 4.397 4.677 1.00 0.00 C ATOM 824 C LEU A 51 121.001 3.379 5.533 1.00 0.00 C ATOM 825 O LEU A 51 120.031 3.725 6.206 1.00 0.00 O ATOM 826 CB LEU A 51 121.284 4.283 3.226 1.00 0.00 C ATOM 827 CG LEU A 51 120.224 5.294 2.796 1.00 0.00 C ATOM 828 CD1 LEU A 51 119.873 5.096 1.329 1.00 0.00 C ATOM 829 CD2 LEU A 51 118.983 5.167 3.667 1.00 0.00 C ATOM 0 H LEU A 51 123.635 4.073 3.819 1.00 0.00 H new ATOM 0 HA LEU A 51 121.535 5.386 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 51 122.150 4.391 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.889 3.279 3.068 1.00 0.00 H new ATOM 0 HG LEU A 51 120.628 6.299 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 51 119.116 5.823 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 51 120.766 5.235 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.485 4.088 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.238 5.895 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.573 4.162 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.248 5.353 4.708 1.00 0.00 H new ATOM 841 N LEU A 52 121.434 2.123 5.499 1.00 0.00 N ATOM 842 CA LEU A 52 120.771 1.072 6.267 1.00 0.00 C ATOM 843 C LEU A 52 120.726 1.399 7.753 1.00 0.00 C ATOM 844 O LEU A 52 119.785 1.016 8.451 1.00 0.00 O ATOM 845 CB LEU A 52 121.495 -0.254 6.068 1.00 0.00 C ATOM 846 CG LEU A 52 120.745 -1.306 5.245 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.763 -2.068 6.121 1.00 0.00 C ATOM 848 CD2 LEU A 52 120.024 -0.676 4.061 1.00 0.00 C ATOM 0 H LEU A 52 122.235 1.808 4.952 1.00 0.00 H new ATOM 0 HA LEU A 52 119.746 0.999 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.451 -0.055 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.716 -0.677 7.048 1.00 0.00 H new ATOM 0 HG LEU A 52 121.481 -2.007 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.239 -2.811 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.304 -2.568 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 52 119.041 -1.372 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 52 119.502 -1.450 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 52 119.303 0.058 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 52 120.749 -0.184 3.413 1.00 0.00 H new ATOM 860 N ALA A 53 121.742 2.099 8.238 1.00 0.00 N ATOM 861 CA ALA A 53 121.806 2.447 9.648 1.00 0.00 C ATOM 862 C ALA A 53 120.556 3.199 10.079 1.00 0.00 C ATOM 863 O ALA A 53 120.004 2.938 11.148 1.00 0.00 O ATOM 864 CB ALA A 53 123.049 3.278 9.932 1.00 0.00 C ATOM 0 H ALA A 53 122.527 2.434 7.680 1.00 0.00 H new ATOM 0 HA ALA A 53 121.863 1.524 10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.083 3.531 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.938 2.706 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.017 4.194 9.341 1.00 0.00 H new ATOM 870 N GLY A 54 120.099 4.115 9.239 1.00 0.00 N ATOM 871 CA GLY A 54 118.910 4.873 9.567 1.00 0.00 C ATOM 872 C GLY A 54 117.712 3.975 9.792 1.00 0.00 C ATOM 873 O GLY A 54 116.943 4.182 10.728 1.00 0.00 O ATOM 0 H GLY A 54 120.526 4.346 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.093 5.465 10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.692 5.574 8.761 1.00 0.00 H new ATOM 877 N VAL A 55 117.567 2.958 8.952 1.00 0.00 N ATOM 878 CA VAL A 55 116.466 2.019 9.088 1.00 0.00 C ATOM 879 C VAL A 55 116.649 1.186 10.346 1.00 0.00 C ATOM 880 O VAL A 55 115.683 0.811 11.010 1.00 0.00 O ATOM 881 CB VAL A 55 116.365 1.079 7.872 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.935 0.597 7.684 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.870 1.776 6.616 1.00 0.00 C ATOM 0 H VAL A 55 118.196 2.764 8.173 1.00 0.00 H new ATOM 0 HA VAL A 55 115.546 2.599 9.151 1.00 0.00 H new ATOM 0 HB VAL A 55 116.994 0.208 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.885 -0.066 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.613 0.057 8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.281 1.454 7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.791 1.097 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.269 2.665 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.912 2.065 6.754 1.00 0.00 H new ATOM 893 N ALA A 56 117.907 0.901 10.658 1.00 0.00 N ATOM 894 CA ALA A 56 118.255 0.111 11.826 1.00 0.00 C ATOM 895 C ALA A 56 118.033 0.895 13.115 1.00 0.00 C ATOM 896 O ALA A 56 117.905 0.311 14.192 1.00 0.00 O ATOM 897 CB ALA A 56 119.695 -0.354 11.717 1.00 0.00 C ATOM 0 H ALA A 56 118.709 1.211 10.110 1.00 0.00 H new ATOM 0 HA ALA A 56 117.601 -0.760 11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 56 119.953 -0.946 12.595 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.814 -0.962 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.354 0.512 11.657 1.00 0.00 H new ATOM 903 N THR A 57 117.992 2.218 13.002 1.00 0.00 N ATOM 904 CA THR A 57 117.789 3.075 14.165 1.00 0.00 C ATOM 905 C THR A 57 116.596 4.000 13.959 1.00 0.00 C ATOM 906 O THR A 57 116.335 4.885 14.774 1.00 0.00 O ATOM 907 CB THR A 57 119.046 3.901 14.443 1.00 0.00 C ATOM 908 OG1 THR A 57 119.079 5.056 13.623 1.00 0.00 O ATOM 909 CG2 THR A 57 120.330 3.134 14.207 1.00 0.00 C ATOM 0 H THR A 57 118.096 2.719 12.120 1.00 0.00 H new ATOM 0 HA THR A 57 117.586 2.435 15.023 1.00 0.00 H new ATOM 0 HB THR A 57 118.989 4.168 15.498 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.264 5.581 13.765 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.183 3.777 14.422 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.359 2.262 14.861 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.374 2.809 13.167 1.00 0.00 H new ATOM 917 N ASN A 58 115.874 3.790 12.864 1.00 0.00 N ATOM 918 CA ASN A 58 114.709 4.603 12.552 1.00 0.00 C ATOM 919 C ASN A 58 113.610 3.757 11.924 1.00 0.00 C ATOM 920 O ASN A 58 112.748 4.271 11.211 1.00 0.00 O ATOM 921 CB ASN A 58 115.095 5.743 11.608 1.00 0.00 C ATOM 922 CG ASN A 58 116.424 6.373 11.975 1.00 0.00 C ATOM 923 OD1 ASN A 58 116.748 6.526 13.154 1.00 0.00 O ATOM 924 ND2 ASN A 58 117.202 6.743 10.965 1.00 0.00 N ATOM 0 H ASN A 58 116.077 3.063 12.178 1.00 0.00 H new ATOM 0 HA ASN A 58 114.330 5.025 13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.145 5.364 10.587 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.317 6.506 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 58 118.108 7.173 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.894 6.597 10.004 1.00 0.00 H new ATOM 931 N THR A 59 113.640 2.456 12.193 1.00 0.00 N ATOM 932 CA THR A 59 112.633 1.553 11.651 1.00 0.00 C ATOM 933 C THR A 59 111.243 2.002 12.084 1.00 0.00 C ATOM 934 O THR A 59 110.334 2.126 11.262 1.00 0.00 O ATOM 935 CB THR A 59 112.889 0.119 12.116 1.00 0.00 C ATOM 936 OG1 THR A 59 113.885 0.085 13.122 1.00 0.00 O ATOM 937 CG2 THR A 59 113.333 -0.803 11.000 1.00 0.00 C ATOM 0 H THR A 59 114.345 2.007 12.778 1.00 0.00 H new ATOM 0 HA THR A 59 112.694 1.580 10.563 1.00 0.00 H new ATOM 0 HB THR A 59 111.931 -0.233 12.498 1.00 0.00 H new ATOM 0 HG1 THR A 59 114.769 0.182 12.710 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.497 -1.804 11.399 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.562 -0.841 10.231 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.260 -0.429 10.566 1.00 0.00 H new ATOM 945 N ALA A 60 111.093 2.263 13.379 1.00 0.00 N ATOM 946 CA ALA A 60 109.822 2.716 13.923 1.00 0.00 C ATOM 947 C ALA A 60 109.431 4.056 13.318 1.00 0.00 C ATOM 948 O ALA A 60 108.248 4.363 13.171 1.00 0.00 O ATOM 949 CB ALA A 60 109.900 2.818 15.439 1.00 0.00 C ATOM 0 H ALA A 60 111.838 2.168 14.070 1.00 0.00 H new ATOM 0 HA ALA A 60 109.055 1.985 13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 60 108.941 3.158 15.831 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.137 1.840 15.858 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.678 3.529 15.716 1.00 0.00 H new ATOM 955 N TYR A 61 110.436 4.843 12.948 1.00 0.00 N ATOM 956 CA TYR A 61 110.202 6.143 12.339 1.00 0.00 C ATOM 957 C TYR A 61 109.457 5.947 11.036 1.00 0.00 C ATOM 958 O TYR A 61 108.511 6.672 10.725 1.00 0.00 O ATOM 959 CB TYR A 61 111.522 6.880 12.096 1.00 0.00 C ATOM 960 CG TYR A 61 111.509 7.757 10.863 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.449 8.619 10.612 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.558 7.724 9.952 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.433 9.422 9.487 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.550 8.525 8.825 1.00 0.00 C ATOM 965 CZ TYR A 61 111.486 9.372 8.598 1.00 0.00 C ATOM 966 OH TYR A 61 111.474 10.170 7.477 1.00 0.00 O ATOM 0 H TYR A 61 111.420 4.601 13.060 1.00 0.00 H new ATOM 0 HA TYR A 61 109.604 6.753 13.016 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.750 7.495 12.966 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.325 6.149 12.003 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.624 8.663 11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.393 7.062 10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.600 10.085 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.373 8.487 8.126 1.00 0.00 H new ATOM 0 HH TYR A 61 111.751 11.078 7.719 1.00 0.00 H new ATOM 976 N LEU A 62 109.866 4.925 10.294 1.00 0.00 N ATOM 977 CA LEU A 62 109.212 4.593 9.046 1.00 0.00 C ATOM 978 C LEU A 62 107.823 4.061 9.363 1.00 0.00 C ATOM 979 O LEU A 62 106.872 4.250 8.604 1.00 0.00 O ATOM 980 CB LEU A 62 110.018 3.544 8.269 1.00 0.00 C ATOM 981 CG LEU A 62 111.430 3.972 7.850 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.013 2.976 6.859 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.411 5.370 7.248 1.00 0.00 C ATOM 0 H LEU A 62 110.647 4.316 10.539 1.00 0.00 H new ATOM 0 HA LEU A 62 109.141 5.483 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.096 2.645 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.459 3.272 7.374 1.00 0.00 H new ATOM 0 HG LEU A 62 112.061 3.990 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.015 3.293 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.063 1.990 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.379 2.930 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.422 5.655 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.765 5.379 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.032 6.078 7.985 1.00 0.00 H new ATOM 995 N ASP A 63 107.715 3.407 10.519 1.00 0.00 N ATOM 996 CA ASP A 63 106.444 2.854 10.967 1.00 0.00 C ATOM 997 C ASP A 63 105.469 3.972 11.306 1.00 0.00 C ATOM 998 O ASP A 63 104.253 3.790 11.255 1.00 0.00 O ATOM 999 CB ASP A 63 106.654 1.951 12.186 1.00 0.00 C ATOM 1000 CG ASP A 63 105.936 2.467 13.418 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.718 2.220 13.543 1.00 0.00 O ATOM 1002 OD2 ASP A 63 106.592 3.118 14.258 1.00 0.00 O ATOM 0 H ASP A 63 108.493 3.249 11.159 1.00 0.00 H new ATOM 0 HA ASP A 63 106.024 2.257 10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 63 106.299 0.946 11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.720 1.872 12.397 1.00 0.00 H new ATOM 1007 N GLY A 64 106.017 5.132 11.653 1.00 0.00 N ATOM 1008 CA GLY A 64 105.190 6.270 11.998 1.00 0.00 C ATOM 1009 C GLY A 64 104.353 6.759 10.834 1.00 0.00 C ATOM 1010 O GLY A 64 103.260 7.291 11.032 1.00 0.00 O ATOM 0 H GLY A 64 107.021 5.303 11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.533 5.999 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.826 7.083 12.350 1.00 0.00 H new ATOM 1014 N LEU A 65 104.858 6.583 9.614 1.00 0.00 N ATOM 1015 CA LEU A 65 104.129 7.019 8.428 1.00 0.00 C ATOM 1016 C LEU A 65 103.411 5.847 7.766 1.00 0.00 C ATOM 1017 O LEU A 65 102.441 6.036 7.034 1.00 0.00 O ATOM 1018 CB LEU A 65 105.068 7.711 7.435 1.00 0.00 C ATOM 1019 CG LEU A 65 105.987 6.788 6.636 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.238 7.365 5.248 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.301 6.578 7.379 1.00 0.00 C ATOM 0 H LEU A 65 105.760 6.146 9.423 1.00 0.00 H new ATOM 0 HA LEU A 65 103.376 7.741 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.464 8.287 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.686 8.422 7.983 1.00 0.00 H new ATOM 0 HG LEU A 65 105.499 5.820 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 65 106.894 6.697 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.290 7.468 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.709 8.343 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.946 5.918 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.797 7.538 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 65 107.101 6.127 8.351 1.00 0.00 H new ATOM 1033 N MET A 66 103.883 4.635 8.038 1.00 0.00 N ATOM 1034 CA MET A 66 103.273 3.437 7.474 1.00 0.00 C ATOM 1035 C MET A 66 102.080 2.999 8.319 1.00 0.00 C ATOM 1036 O MET A 66 101.138 2.387 7.814 1.00 0.00 O ATOM 1037 CB MET A 66 104.301 2.306 7.384 1.00 0.00 C ATOM 1038 CG MET A 66 103.868 1.025 8.082 1.00 0.00 C ATOM 1039 SD MET A 66 102.577 0.144 7.185 1.00 0.00 S ATOM 1040 CE MET A 66 103.504 -1.246 6.539 1.00 0.00 C ATOM 0 H MET A 66 104.684 4.457 8.644 1.00 0.00 H new ATOM 0 HA MET A 66 102.922 3.670 6.469 1.00 0.00 H new ATOM 0 HB2 MET A 66 104.497 2.088 6.334 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.241 2.646 7.819 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.732 0.371 8.201 1.00 0.00 H new ATOM 0 HG3 MET A 66 103.510 1.265 9.083 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.181 -1.456 5.519 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.567 -1.007 6.541 1.00 0.00 H new ATOM 0 HE3 MET A 66 103.328 -2.122 7.163 1.00 0.00 H new ATOM 1050 N LYS A 67 102.128 3.327 9.605 1.00 0.00 N ATOM 1051 CA LYS A 67 101.055 2.980 10.529 1.00 0.00 C ATOM 1052 C LYS A 67 99.688 3.044 9.847 1.00 0.00 C ATOM 1053 O LYS A 67 98.939 2.067 9.855 1.00 0.00 O ATOM 1054 CB LYS A 67 101.074 3.917 11.738 1.00 0.00 C ATOM 1055 CG LYS A 67 99.690 4.330 12.209 1.00 0.00 C ATOM 1056 CD LYS A 67 99.760 5.173 13.472 1.00 0.00 C ATOM 1057 CE LYS A 67 98.982 4.533 14.611 1.00 0.00 C ATOM 1058 NZ LYS A 67 99.224 5.226 15.907 1.00 0.00 N ATOM 0 H LYS A 67 102.902 3.835 10.033 1.00 0.00 H new ATOM 0 HA LYS A 67 101.222 1.955 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 67 101.597 3.427 12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.645 4.811 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 67 99.190 4.893 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 99.088 3.441 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 67 100.801 5.302 13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 67 99.361 6.167 13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 67 97.917 4.555 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 67 99.267 3.485 14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.676 4.760 16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 100.237 5.183 16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.929 6.220 15.830 1.00 0.00 H new ATOM 1072 N PRO A 68 99.342 4.199 9.252 1.00 0.00 N ATOM 1073 CA PRO A 68 98.071 4.395 8.574 1.00 0.00 C ATOM 1074 C PRO A 68 97.504 3.104 7.993 1.00 0.00 C ATOM 1075 O PRO A 68 96.291 2.892 8.001 1.00 0.00 O ATOM 1076 CB PRO A 68 98.441 5.376 7.467 1.00 0.00 C ATOM 1077 CG PRO A 68 99.596 6.170 8.003 1.00 0.00 C ATOM 1078 CD PRO A 68 100.158 5.419 9.191 1.00 0.00 C ATOM 0 HA PRO A 68 97.289 4.749 9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 68 98.717 4.850 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.600 6.024 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.360 6.300 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.270 7.167 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.214 5.187 9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.075 6.002 10.108 1.00 0.00 H new ATOM 1086 N TYR A 69 98.383 2.242 7.494 1.00 0.00 N ATOM 1087 CA TYR A 69 97.957 0.974 6.915 1.00 0.00 C ATOM 1088 C TYR A 69 98.686 -0.197 7.567 1.00 0.00 C ATOM 1089 O TYR A 69 99.626 -0.751 7.000 1.00 0.00 O ATOM 1090 CB TYR A 69 98.191 0.967 5.406 1.00 0.00 C ATOM 1091 CG TYR A 69 99.648 0.956 5.023 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.416 2.107 5.116 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.256 -0.207 4.572 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.751 2.101 4.768 1.00 0.00 C ATOM 1095 CE2 TYR A 69 101.591 -0.222 4.224 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.335 0.934 4.323 1.00 0.00 C ATOM 1097 OH TYR A 69 103.667 0.925 3.975 1.00 0.00 O ATOM 0 H TYR A 69 99.391 2.397 7.479 1.00 0.00 H new ATOM 0 HA TYR A 69 96.890 0.861 7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 69 97.704 0.092 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.715 1.845 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.962 3.022 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 69 99.675 -1.114 4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.336 3.006 4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.051 -1.135 3.876 1.00 0.00 H new ATOM 0 HH TYR A 69 104.044 1.821 4.101 1.00 0.00 H new ATOM 1107 N LEU A 70 98.242 -0.567 8.764 1.00 0.00 N ATOM 1108 CA LEU A 70 98.848 -1.672 9.497 1.00 0.00 C ATOM 1109 C LEU A 70 97.917 -2.881 9.523 1.00 0.00 C ATOM 1110 O LEU A 70 96.721 -2.749 9.780 1.00 0.00 O ATOM 1111 CB LEU A 70 99.179 -1.243 10.928 1.00 0.00 C ATOM 1112 CG LEU A 70 100.287 -0.196 11.051 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.207 -0.528 12.216 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.079 -0.101 9.755 1.00 0.00 C ATOM 0 H LEU A 70 97.464 -0.117 9.247 1.00 0.00 H new ATOM 0 HA LEU A 70 99.769 -1.952 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.275 -0.848 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.470 -2.126 11.498 1.00 0.00 H new ATOM 0 HG LEU A 70 99.825 0.773 11.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.989 0.227 12.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.631 -0.544 13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.661 -1.506 12.054 1.00 0.00 H new ATOM 0 HD21 LEU A 70 101.863 0.649 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.530 -1.068 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.412 0.184 8.941 1.00 0.00 H new ATOM 1126 N SER A 71 98.476 -4.057 9.259 1.00 0.00 N ATOM 1127 CA SER A 71 97.695 -5.289 9.255 1.00 0.00 C ATOM 1128 C SER A 71 97.787 -5.992 10.606 1.00 0.00 C ATOM 1129 O SER A 71 97.961 -7.208 10.673 1.00 0.00 O ATOM 1130 CB SER A 71 98.184 -6.223 8.146 1.00 0.00 C ATOM 1131 OG SER A 71 97.485 -5.988 6.936 1.00 0.00 O ATOM 0 H SER A 71 99.465 -4.183 9.045 1.00 0.00 H new ATOM 0 HA SER A 71 96.652 -5.031 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 71 99.252 -6.076 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 98.047 -7.260 8.453 1.00 0.00 H new ATOM 0 HG SER A 71 97.570 -6.770 6.352 1.00 0.00 H new ATOM 1137 N ARG A 72 97.671 -5.216 11.679 1.00 0.00 N ATOM 1138 CA ARG A 72 97.742 -5.763 13.029 1.00 0.00 C ATOM 1139 C ARG A 72 99.146 -6.282 13.328 1.00 0.00 C ATOM 1140 O ARG A 72 99.810 -5.809 14.251 1.00 0.00 O ATOM 1141 CB ARG A 72 96.720 -6.887 13.202 1.00 0.00 C ATOM 1142 CG ARG A 72 95.308 -6.491 12.800 1.00 0.00 C ATOM 1143 CD ARG A 72 94.989 -6.932 11.381 1.00 0.00 C ATOM 1144 NE ARG A 72 93.584 -7.296 11.223 1.00 0.00 N ATOM 1145 CZ ARG A 72 92.964 -7.346 10.050 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.623 -7.057 8.936 1.00 0.00 N ATOM 1147 NH2 ARG A 72 91.684 -7.686 9.988 1.00 0.00 N ATOM 0 H ARG A 72 97.527 -4.207 11.640 1.00 0.00 H new ATOM 0 HA ARG A 72 97.511 -4.964 13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.031 -7.745 12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.716 -7.207 14.244 1.00 0.00 H new ATOM 0 HG2 ARG A 72 94.593 -6.938 13.491 1.00 0.00 H new ATOM 0 HG3 ARG A 72 95.195 -5.410 12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.235 -6.128 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.616 -7.784 11.117 1.00 0.00 H new ATOM 0 HE ARG A 72 93.049 -7.525 12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.608 -6.796 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 72 93.145 -7.096 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 91.174 -7.910 10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.209 -7.724 9.086 1.00 0.00 H new ATOM 1161 N LEU A 73 99.595 -7.250 12.534 1.00 0.00 N ATOM 1162 CA LEU A 73 100.926 -7.823 12.708 1.00 0.00 C ATOM 1163 C LEU A 73 101.699 -7.812 11.392 1.00 0.00 C ATOM 1164 O LEU A 73 101.508 -8.676 10.537 1.00 0.00 O ATOM 1165 CB LEU A 73 100.859 -9.256 13.259 1.00 0.00 C ATOM 1166 CG LEU A 73 99.509 -9.974 13.136 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.508 -9.422 14.139 1.00 0.00 C ATOM 1168 CD2 LEU A 73 98.964 -9.876 11.720 1.00 0.00 C ATOM 0 H LEU A 73 99.058 -7.653 11.766 1.00 0.00 H new ATOM 0 HA LEU A 73 101.450 -7.202 13.434 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.612 -9.854 12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.137 -9.230 14.313 1.00 0.00 H new ATOM 0 HG LEU A 73 99.670 -11.028 13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.559 -9.947 14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.890 -9.564 15.150 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.357 -8.358 13.955 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.006 -10.394 11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 73 98.826 -8.828 11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 73 99.668 -10.336 11.027 1.00 0.00 H new ATOM 1180 N LEU A 74 102.577 -6.827 11.239 1.00 0.00 N ATOM 1181 CA LEU A 74 103.382 -6.701 10.031 1.00 0.00 C ATOM 1182 C LEU A 74 104.171 -7.980 9.766 1.00 0.00 C ATOM 1183 O LEU A 74 104.366 -8.374 8.617 1.00 0.00 O ATOM 1184 CB LEU A 74 104.340 -5.514 10.152 1.00 0.00 C ATOM 1185 CG LEU A 74 103.739 -4.255 10.781 1.00 0.00 C ATOM 1186 CD1 LEU A 74 104.170 -4.125 12.233 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.147 -3.020 9.990 1.00 0.00 C ATOM 0 H LEU A 74 102.749 -6.104 11.937 1.00 0.00 H new ATOM 0 HA LEU A 74 102.707 -6.531 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.201 -5.822 10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 104.710 -5.263 9.158 1.00 0.00 H new ATOM 0 HG LEU A 74 102.653 -4.340 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 74 103.733 -3.224 12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 74 103.830 -4.996 12.793 1.00 0.00 H new ATOM 0 HD13 LEU A 74 105.257 -4.062 12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.712 -2.133 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.233 -2.932 9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 74 103.789 -3.110 8.965 1.00 0.00 H new ATOM 1199 N GLU A 75 104.625 -8.620 10.838 1.00 0.00 N ATOM 1200 CA GLU A 75 105.395 -9.854 10.723 1.00 0.00 C ATOM 1201 C GLU A 75 104.587 -10.942 10.023 1.00 0.00 C ATOM 1202 O GLU A 75 105.150 -11.892 9.480 1.00 0.00 O ATOM 1203 CB GLU A 75 105.830 -10.337 12.107 1.00 0.00 C ATOM 1204 CG GLU A 75 106.842 -9.423 12.782 1.00 0.00 C ATOM 1205 CD GLU A 75 106.509 -9.162 14.238 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.100 -10.114 14.934 1.00 0.00 O ATOM 1207 OE2 GLU A 75 106.659 -8.004 14.681 1.00 0.00 O ATOM 0 H GLU A 75 104.473 -8.305 11.796 1.00 0.00 H new ATOM 0 HA GLU A 75 106.280 -9.644 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 75 104.950 -10.425 12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 106.259 -11.335 12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.833 -9.871 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 75 106.884 -8.474 12.247 1.00 0.00 H new ATOM 1214 N GLU A 76 103.267 -10.798 10.040 1.00 0.00 N ATOM 1215 CA GLU A 76 102.385 -11.773 9.408 1.00 0.00 C ATOM 1216 C GLU A 76 102.356 -11.584 7.895 1.00 0.00 C ATOM 1217 O GLU A 76 102.950 -12.364 7.150 1.00 0.00 O ATOM 1218 CB GLU A 76 100.968 -11.656 9.974 1.00 0.00 C ATOM 1219 CG GLU A 76 100.741 -12.494 11.222 1.00 0.00 C ATOM 1220 CD GLU A 76 99.423 -13.242 11.188 1.00 0.00 C ATOM 1221 OE1 GLU A 76 98.552 -12.875 10.372 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.262 -14.196 11.979 1.00 0.00 O ATOM 0 H GLU A 76 102.784 -10.017 10.484 1.00 0.00 H new ATOM 0 HA GLU A 76 102.775 -12.768 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.763 -10.611 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.254 -11.958 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.557 -13.208 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 76 100.765 -11.847 12.099 1.00 0.00 H new ATOM 1229 N LEU A 77 101.663 -10.542 7.445 1.00 0.00 N ATOM 1230 CA LEU A 77 101.557 -10.251 6.020 1.00 0.00 C ATOM 1231 C LEU A 77 102.906 -10.420 5.330 1.00 0.00 C ATOM 1232 O LEU A 77 103.932 -10.593 5.987 1.00 0.00 O ATOM 1233 CB LEU A 77 101.035 -8.829 5.806 1.00 0.00 C ATOM 1234 CG LEU A 77 100.521 -8.534 4.396 1.00 0.00 C ATOM 1235 CD1 LEU A 77 99.209 -7.766 4.458 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.559 -7.755 3.603 1.00 0.00 C ATOM 0 H LEU A 77 101.167 -9.885 8.047 1.00 0.00 H new ATOM 0 HA LEU A 77 100.853 -10.958 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 77 100.229 -8.643 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 101.834 -8.126 6.040 1.00 0.00 H new ATOM 0 HG LEU A 77 100.341 -9.482 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 77 98.857 -7.564 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 77 98.465 -8.359 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 77 99.364 -6.823 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.177 -7.554 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 77 101.770 -6.812 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.476 -8.340 3.530 1.00 0.00 H new ATOM 1248 N GLY A 78 102.897 -10.369 4.001 1.00 0.00 N ATOM 1249 CA GLY A 78 104.128 -10.519 3.246 1.00 0.00 C ATOM 1250 C GLY A 78 105.313 -9.878 3.941 1.00 0.00 C ATOM 1251 O GLY A 78 105.211 -8.764 4.454 1.00 0.00 O ATOM 0 H GLY A 78 102.061 -10.227 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.330 -11.579 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.003 -10.072 2.260 1.00 0.00 H new ATOM 1255 N GLN A 79 106.438 -10.585 3.965 1.00 0.00 N ATOM 1256 CA GLN A 79 107.641 -10.078 4.607 1.00 0.00 C ATOM 1257 C GLN A 79 108.394 -9.121 3.689 1.00 0.00 C ATOM 1258 O GLN A 79 108.713 -7.997 4.079 1.00 0.00 O ATOM 1259 CB GLN A 79 108.551 -11.237 5.013 1.00 0.00 C ATOM 1260 CG GLN A 79 110.030 -10.909 4.919 1.00 0.00 C ATOM 1261 CD GLN A 79 110.389 -9.620 5.633 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.958 -8.704 5.037 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.059 -9.541 6.916 1.00 0.00 N ATOM 0 H GLN A 79 106.540 -11.510 3.547 1.00 0.00 H new ATOM 0 HA GLN A 79 107.340 -9.528 5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.317 -11.531 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 79 108.337 -12.096 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 79 110.608 -11.729 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 79 110.315 -10.830 3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.588 -10.323 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.276 -8.698 7.447 1.00 0.00 H new ATOM 1272 N VAL A 80 108.680 -9.570 2.470 1.00 0.00 N ATOM 1273 CA VAL A 80 109.401 -8.741 1.508 1.00 0.00 C ATOM 1274 C VAL A 80 108.629 -7.468 1.192 1.00 0.00 C ATOM 1275 O VAL A 80 109.170 -6.365 1.278 1.00 0.00 O ATOM 1276 CB VAL A 80 109.664 -9.487 0.184 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.029 -10.153 0.202 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.565 -10.503 -0.095 1.00 0.00 C ATOM 0 H VAL A 80 108.426 -10.496 2.126 1.00 0.00 H new ATOM 0 HA VAL A 80 110.354 -8.494 1.976 1.00 0.00 H new ATOM 0 HB VAL A 80 109.657 -8.755 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.193 -10.673 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.801 -9.396 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.074 -10.869 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.773 -11.016 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.528 -11.231 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.606 -9.991 -0.167 1.00 0.00 H new ATOM 1288 N GLU A 81 107.362 -7.626 0.830 1.00 0.00 N ATOM 1289 CA GLU A 81 106.525 -6.484 0.494 1.00 0.00 C ATOM 1290 C GLU A 81 106.504 -5.480 1.637 1.00 0.00 C ATOM 1291 O GLU A 81 106.744 -4.290 1.432 1.00 0.00 O ATOM 1292 CB GLU A 81 105.101 -6.943 0.175 1.00 0.00 C ATOM 1293 CG GLU A 81 104.976 -7.650 -1.164 1.00 0.00 C ATOM 1294 CD GLU A 81 103.535 -7.917 -1.550 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.667 -7.902 -0.652 1.00 0.00 O ATOM 1296 OE2 GLU A 81 103.274 -8.142 -2.751 1.00 0.00 O ATOM 0 H GLU A 81 106.894 -8.530 0.762 1.00 0.00 H new ATOM 0 HA GLU A 81 106.946 -6.000 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.759 -7.613 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.439 -6.077 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.449 -7.043 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.519 -8.595 -1.124 1.00 0.00 H new ATOM 1303 N LYS A 82 106.241 -5.968 2.843 1.00 0.00 N ATOM 1304 CA LYS A 82 106.206 -5.102 4.010 1.00 0.00 C ATOM 1305 C LYS A 82 107.528 -4.366 4.147 1.00 0.00 C ATOM 1306 O LYS A 82 107.560 -3.183 4.486 1.00 0.00 O ATOM 1307 CB LYS A 82 105.924 -5.915 5.273 1.00 0.00 C ATOM 1308 CG LYS A 82 106.242 -5.174 6.561 1.00 0.00 C ATOM 1309 CD LYS A 82 105.758 -3.732 6.519 1.00 0.00 C ATOM 1310 CE LYS A 82 106.857 -2.764 6.923 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.542 -2.067 8.201 1.00 0.00 N ATOM 0 H LYS A 82 106.050 -6.951 3.036 1.00 0.00 H new ATOM 0 HA LYS A 82 105.404 -4.375 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.873 -6.204 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.508 -6.835 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.776 -5.689 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 82 107.318 -5.191 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 82 105.412 -3.492 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 82 104.904 -3.614 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 82 107.797 -3.305 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.000 -2.027 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 107.100 -1.192 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.529 -1.834 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.777 -2.688 9.002 1.00 0.00 H new ATOM 1325 N ALA A 83 108.617 -5.065 3.854 1.00 0.00 N ATOM 1326 CA ALA A 83 109.936 -4.464 3.917 1.00 0.00 C ATOM 1327 C ALA A 83 110.111 -3.473 2.776 1.00 0.00 C ATOM 1328 O ALA A 83 110.684 -2.397 2.949 1.00 0.00 O ATOM 1329 CB ALA A 83 111.015 -5.538 3.863 1.00 0.00 C ATOM 0 H ALA A 83 108.610 -6.045 3.572 1.00 0.00 H new ATOM 0 HA ALA A 83 110.034 -3.930 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.998 -5.069 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.895 -6.217 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.925 -6.097 2.932 1.00 0.00 H new ATOM 1335 N VAL A 84 109.598 -3.849 1.608 1.00 0.00 N ATOM 1336 CA VAL A 84 109.692 -3.013 0.421 1.00 0.00 C ATOM 1337 C VAL A 84 109.066 -1.650 0.655 1.00 0.00 C ATOM 1338 O VAL A 84 109.617 -0.623 0.257 1.00 0.00 O ATOM 1339 CB VAL A 84 108.995 -3.675 -0.778 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.947 -2.739 -1.360 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.013 -4.083 -1.832 1.00 0.00 C ATOM 0 H VAL A 84 109.111 -4.733 1.461 1.00 0.00 H new ATOM 0 HA VAL A 84 110.753 -2.890 0.205 1.00 0.00 H new ATOM 0 HB VAL A 84 108.491 -4.579 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.461 -3.220 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.202 -2.508 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.426 -1.817 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.499 -4.550 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.550 -3.201 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.720 -4.791 -1.400 1.00 0.00 H new ATOM 1351 N LEU A 85 107.913 -1.646 1.302 1.00 0.00 N ATOM 1352 CA LEU A 85 107.212 -0.409 1.588 1.00 0.00 C ATOM 1353 C LEU A 85 107.969 0.423 2.615 1.00 0.00 C ATOM 1354 O LEU A 85 107.959 1.652 2.554 1.00 0.00 O ATOM 1355 CB LEU A 85 105.803 -0.707 2.102 1.00 0.00 C ATOM 1356 CG LEU A 85 104.759 -0.972 1.018 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.512 -1.593 1.626 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.415 0.316 0.286 1.00 0.00 C ATOM 0 H LEU A 85 107.443 -2.487 1.639 1.00 0.00 H new ATOM 0 HA LEU A 85 107.145 0.162 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.849 -1.575 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.469 0.135 2.708 1.00 0.00 H new ATOM 0 HG LEU A 85 105.176 -1.675 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 85 102.777 -1.776 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.772 -2.536 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.091 -0.913 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.670 0.110 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 85 104.014 1.041 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.314 0.721 -0.179 1.00 0.00 H new ATOM 1370 N ARG A 86 108.630 -0.246 3.557 1.00 0.00 N ATOM 1371 CA ARG A 86 109.372 0.459 4.593 1.00 0.00 C ATOM 1372 C ARG A 86 110.420 1.363 3.970 1.00 0.00 C ATOM 1373 O ARG A 86 110.519 2.543 4.309 1.00 0.00 O ATOM 1374 CB ARG A 86 110.036 -0.535 5.546 1.00 0.00 C ATOM 1375 CG ARG A 86 109.878 -0.172 7.013 1.00 0.00 C ATOM 1376 CD ARG A 86 111.032 -0.703 7.847 1.00 0.00 C ATOM 1377 NE ARG A 86 111.014 -2.160 7.940 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.140 -2.841 8.674 1.00 0.00 C ATOM 1379 NH1 ARG A 86 109.217 -2.197 9.375 1.00 0.00 N ATOM 1380 NH2 ARG A 86 110.189 -4.165 8.708 1.00 0.00 N ATOM 0 H ARG A 86 108.666 -1.263 3.623 1.00 0.00 H new ATOM 0 HA ARG A 86 108.672 1.072 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.612 -1.525 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.098 -0.599 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 86 109.822 0.912 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 86 108.939 -0.577 7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.976 -0.379 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 86 110.983 -0.275 8.848 1.00 0.00 H new ATOM 0 HE ARG A 86 111.711 -2.685 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 86 109.177 -1.178 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 86 108.547 -2.721 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 110.898 -4.663 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 86 109.517 -4.686 9.272 1.00 0.00 H new ATOM 1394 N ILE A 87 111.181 0.814 3.038 1.00 0.00 N ATOM 1395 CA ILE A 87 112.201 1.585 2.357 1.00 0.00 C ATOM 1396 C ILE A 87 111.572 2.749 1.608 1.00 0.00 C ATOM 1397 O ILE A 87 112.129 3.847 1.562 1.00 0.00 O ATOM 1398 CB ILE A 87 112.991 0.718 1.360 1.00 0.00 C ATOM 1399 CG1 ILE A 87 114.416 0.493 1.862 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.002 1.369 -0.015 1.00 0.00 C ATOM 1401 CD1 ILE A 87 115.294 -0.237 0.870 1.00 0.00 C ATOM 0 H ILE A 87 111.111 -0.158 2.738 1.00 0.00 H new ATOM 0 HA ILE A 87 112.887 1.959 3.117 1.00 0.00 H new ATOM 0 HB ILE A 87 112.500 -0.252 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 87 114.868 1.457 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 87 114.380 -0.075 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 87 113.564 0.744 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 87 111.979 1.479 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.471 2.351 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 87 116.292 -0.363 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 87 114.865 -1.216 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 87 115.359 0.341 -0.052 1.00 0.00 H new ATOM 1413 N ALA A 88 110.396 2.507 1.035 1.00 0.00 N ATOM 1414 CA ALA A 88 109.690 3.536 0.291 1.00 0.00 C ATOM 1415 C ALA A 88 109.397 4.728 1.181 1.00 0.00 C ATOM 1416 O ALA A 88 109.473 5.878 0.748 1.00 0.00 O ATOM 1417 CB ALA A 88 108.401 2.979 -0.293 1.00 0.00 C ATOM 0 H ALA A 88 109.916 1.608 1.074 1.00 0.00 H new ATOM 0 HA ALA A 88 110.327 3.867 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.884 3.763 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.633 2.152 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.760 2.622 0.514 1.00 0.00 H new ATOM 1423 N LEU A 89 109.079 4.445 2.435 1.00 0.00 N ATOM 1424 CA LEU A 89 108.781 5.493 3.391 1.00 0.00 C ATOM 1425 C LEU A 89 109.991 6.398 3.579 1.00 0.00 C ATOM 1426 O LEU A 89 109.867 7.623 3.620 1.00 0.00 O ATOM 1427 CB LEU A 89 108.371 4.877 4.730 1.00 0.00 C ATOM 1428 CG LEU A 89 107.233 3.855 4.658 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.807 3.433 6.055 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.048 4.419 3.886 1.00 0.00 C ATOM 0 H LEU A 89 109.021 3.499 2.811 1.00 0.00 H new ATOM 0 HA LEU A 89 107.955 6.092 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.243 4.395 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.074 5.680 5.405 1.00 0.00 H new ATOM 0 HG LEU A 89 107.598 2.976 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 89 105.997 2.707 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.654 2.983 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.464 4.306 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.252 3.676 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.683 5.317 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.360 4.669 2.872 1.00 0.00 H new ATOM 1442 N TYR A 90 111.166 5.794 3.673 1.00 0.00 N ATOM 1443 CA TYR A 90 112.385 6.560 3.844 1.00 0.00 C ATOM 1444 C TYR A 90 112.705 7.337 2.579 1.00 0.00 C ATOM 1445 O TYR A 90 113.338 8.392 2.627 1.00 0.00 O ATOM 1446 CB TYR A 90 113.558 5.657 4.225 1.00 0.00 C ATOM 1447 CG TYR A 90 114.454 6.251 5.292 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.330 7.585 5.681 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.427 5.476 5.914 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.149 8.121 6.656 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.249 6.009 6.890 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.106 7.331 7.256 1.00 0.00 C ATOM 1453 OH TYR A 90 116.922 7.864 8.227 1.00 0.00 O ATOM 0 H TYR A 90 111.298 4.783 3.634 1.00 0.00 H new ATOM 0 HA TYR A 90 112.225 7.266 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.171 4.701 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.153 5.452 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.582 8.208 5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.543 4.440 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.040 9.155 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.999 5.393 7.363 1.00 0.00 H new ATOM 0 HH TYR A 90 116.443 8.574 8.703 1.00 0.00 H new ATOM 1463 N GLU A 91 112.264 6.807 1.445 1.00 0.00 N ATOM 1464 CA GLU A 91 112.505 7.452 0.164 1.00 0.00 C ATOM 1465 C GLU A 91 112.044 8.901 0.208 1.00 0.00 C ATOM 1466 O GLU A 91 112.666 9.778 -0.392 1.00 0.00 O ATOM 1467 CB GLU A 91 111.777 6.703 -0.954 1.00 0.00 C ATOM 1468 CG GLU A 91 112.580 6.604 -2.241 1.00 0.00 C ATOM 1469 CD GLU A 91 112.057 7.524 -3.327 1.00 0.00 C ATOM 1470 OE1 GLU A 91 110.855 7.434 -3.653 1.00 0.00 O ATOM 1471 OE2 GLU A 91 112.849 8.336 -3.850 1.00 0.00 O ATOM 0 H GLU A 91 111.739 5.934 1.388 1.00 0.00 H new ATOM 0 HA GLU A 91 113.576 7.430 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.534 5.698 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.833 7.206 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 91 113.622 6.848 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.558 5.575 -2.600 1.00 0.00 H new ATOM 1478 N LEU A 92 110.955 9.150 0.929 1.00 0.00 N ATOM 1479 CA LEU A 92 110.423 10.497 1.055 1.00 0.00 C ATOM 1480 C LEU A 92 111.347 11.369 1.899 1.00 0.00 C ATOM 1481 O LEU A 92 111.456 12.575 1.678 1.00 0.00 O ATOM 1482 CB LEU A 92 109.025 10.442 1.663 1.00 0.00 C ATOM 1483 CG LEU A 92 108.084 9.444 0.988 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.555 8.433 1.990 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.943 10.171 0.304 1.00 0.00 C ATOM 0 H LEU A 92 110.427 8.437 1.432 1.00 0.00 H new ATOM 0 HA LEU A 92 110.360 10.945 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 92 109.111 10.186 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.580 11.436 1.611 1.00 0.00 H new ATOM 0 HG LEU A 92 108.649 8.901 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.888 7.735 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.389 7.885 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 92 107.008 8.952 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.283 9.446 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.382 10.743 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.343 10.847 -0.451 1.00 0.00 H new ATOM 1497 N SER A 93 112.013 10.748 2.869 1.00 0.00 N ATOM 1498 CA SER A 93 112.930 11.463 3.749 1.00 0.00 C ATOM 1499 C SER A 93 114.243 11.775 3.038 1.00 0.00 C ATOM 1500 O SER A 93 114.741 12.900 3.098 1.00 0.00 O ATOM 1501 CB SER A 93 113.202 10.641 5.011 1.00 0.00 C ATOM 1502 OG SER A 93 114.554 10.220 5.064 1.00 0.00 O ATOM 0 H SER A 93 111.934 9.750 3.065 1.00 0.00 H new ATOM 0 HA SER A 93 112.461 12.406 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.968 11.236 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.546 9.771 5.030 1.00 0.00 H new ATOM 0 HG SER A 93 114.594 9.284 5.350 1.00 0.00 H new ATOM 1508 N LYS A 94 114.802 10.772 2.370 1.00 0.00 N ATOM 1509 CA LYS A 94 116.060 10.940 1.651 1.00 0.00 C ATOM 1510 C LYS A 94 115.814 11.414 0.223 1.00 0.00 C ATOM 1511 O LYS A 94 116.714 11.380 -0.617 1.00 0.00 O ATOM 1512 CB LYS A 94 116.841 9.625 1.638 1.00 0.00 C ATOM 1513 CG LYS A 94 117.039 9.020 3.018 1.00 0.00 C ATOM 1514 CD LYS A 94 117.279 10.093 4.068 1.00 0.00 C ATOM 1515 CE LYS A 94 117.281 9.509 5.472 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.565 9.771 6.180 1.00 0.00 N ATOM 0 H LYS A 94 114.404 9.835 2.311 1.00 0.00 H new ATOM 0 HA LYS A 94 116.647 11.699 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.316 8.907 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.816 9.796 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 94 116.161 8.434 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.886 8.334 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 94 118.233 10.584 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.506 10.857 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.457 9.936 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 94 117.109 8.434 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.526 9.357 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 119.349 9.342 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.718 10.797 6.254 1.00 0.00 H new ATOM 1530 N ARG A 95 114.591 11.859 -0.047 1.00 0.00 N ATOM 1531 CA ARG A 95 114.229 12.342 -1.375 1.00 0.00 C ATOM 1532 C ARG A 95 115.340 13.209 -1.958 1.00 0.00 C ATOM 1533 O ARG A 95 115.935 14.029 -1.257 1.00 0.00 O ATOM 1534 CB ARG A 95 112.923 13.137 -1.312 1.00 0.00 C ATOM 1535 CG ARG A 95 113.122 14.614 -1.014 1.00 0.00 C ATOM 1536 CD ARG A 95 112.051 15.143 -0.075 1.00 0.00 C ATOM 1537 NE ARG A 95 110.852 15.566 -0.795 1.00 0.00 N ATOM 1538 CZ ARG A 95 110.831 16.574 -1.661 1.00 0.00 C ATOM 1539 NH1 ARG A 95 111.938 17.258 -1.913 1.00 0.00 N ATOM 1540 NH2 ARG A 95 109.702 16.897 -2.276 1.00 0.00 N ATOM 0 H ARG A 95 113.834 11.895 0.636 1.00 0.00 H new ATOM 0 HA ARG A 95 114.088 11.478 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.399 13.034 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.281 12.704 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 95 114.105 14.767 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 95 113.102 15.180 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 95 111.787 14.369 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 95 112.449 15.985 0.492 1.00 0.00 H new ATOM 0 HE ARG A 95 109.983 15.060 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 95 112.808 17.011 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 95 111.920 18.031 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 95 108.849 16.372 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 95 109.687 17.671 -2.940 1.00 0.00 H new ATOM 1554 N SER A 96 115.616 13.024 -3.245 1.00 0.00 N ATOM 1555 CA SER A 96 116.657 13.789 -3.922 1.00 0.00 C ATOM 1556 C SER A 96 116.049 14.793 -4.896 1.00 0.00 C ATOM 1557 O SER A 96 116.315 15.992 -4.814 1.00 0.00 O ATOM 1558 CB SER A 96 117.608 12.850 -4.665 1.00 0.00 C ATOM 1559 OG SER A 96 117.379 12.892 -6.062 1.00 0.00 O ATOM 0 H SER A 96 115.133 12.351 -3.840 1.00 0.00 H new ATOM 0 HA SER A 96 117.218 14.339 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 96 118.640 13.131 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 96 117.475 11.831 -4.302 1.00 0.00 H new ATOM 0 HG SER A 96 118.001 12.284 -6.514 1.00 0.00 H new ATOM 1565 N ASP A 97 115.233 14.295 -5.818 1.00 0.00 N ATOM 1566 CA ASP A 97 114.587 15.148 -6.810 1.00 0.00 C ATOM 1567 C ASP A 97 113.205 14.612 -7.168 1.00 0.00 C ATOM 1568 O ASP A 97 112.698 14.857 -8.262 1.00 0.00 O ATOM 1569 CB ASP A 97 115.451 15.246 -8.068 1.00 0.00 C ATOM 1570 CG ASP A 97 115.455 16.642 -8.660 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.841 17.545 -8.054 1.00 0.00 O ATOM 1572 OD2 ASP A 97 116.072 16.831 -9.729 1.00 0.00 O ATOM 0 H ASP A 97 115.003 13.305 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 97 114.471 16.143 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 97 116.473 14.954 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 97 115.085 14.540 -8.813 1.00 0.00 H new ATOM 1577 N VAL A 98 112.602 13.880 -6.238 1.00 0.00 N ATOM 1578 CA VAL A 98 111.278 13.308 -6.454 1.00 0.00 C ATOM 1579 C VAL A 98 110.349 13.624 -5.288 1.00 0.00 C ATOM 1580 O VAL A 98 110.708 13.440 -4.125 1.00 0.00 O ATOM 1581 CB VAL A 98 111.352 11.781 -6.640 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.821 11.065 -5.409 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.587 11.357 -7.885 1.00 0.00 C ATOM 0 H VAL A 98 113.009 13.669 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 98 110.880 13.758 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 98 112.397 11.500 -6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.882 9.987 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 98 111.418 11.344 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.782 11.350 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.650 10.275 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.542 11.651 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.020 11.841 -8.760 1.00 0.00 H new ATOM 1593 N PRO A 99 109.134 14.105 -5.589 1.00 0.00 N ATOM 1594 CA PRO A 99 108.140 14.450 -4.567 1.00 0.00 C ATOM 1595 C PRO A 99 107.748 13.250 -3.711 1.00 0.00 C ATOM 1596 O PRO A 99 108.461 12.248 -3.666 1.00 0.00 O ATOM 1597 CB PRO A 99 106.936 14.947 -5.376 1.00 0.00 C ATOM 1598 CG PRO A 99 107.145 14.417 -6.754 1.00 0.00 C ATOM 1599 CD PRO A 99 108.633 14.349 -6.949 1.00 0.00 C ATOM 0 HA PRO A 99 108.526 15.189 -3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 99 106.000 14.584 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.884 16.036 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.691 13.432 -6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.683 15.068 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.914 13.548 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 99 109.028 15.276 -7.364 1.00 0.00 H new ATOM 1607 N TYR A 100 106.611 13.360 -3.030 1.00 0.00 N ATOM 1608 CA TYR A 100 106.126 12.285 -2.173 1.00 0.00 C ATOM 1609 C TYR A 100 105.143 11.387 -2.918 1.00 0.00 C ATOM 1610 O TYR A 100 105.277 10.164 -2.910 1.00 0.00 O ATOM 1611 CB TYR A 100 105.460 12.863 -0.922 1.00 0.00 C ATOM 1612 CG TYR A 100 104.002 13.215 -1.117 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.011 12.249 -0.986 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.616 14.512 -1.433 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.678 12.565 -1.164 1.00 0.00 C ATOM 1616 CE2 TYR A 100 102.284 14.835 -1.612 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.320 13.859 -1.476 1.00 0.00 C ATOM 1618 OH TYR A 100 99.993 14.178 -1.655 1.00 0.00 O ATOM 0 H TYR A 100 106.009 14.183 -3.056 1.00 0.00 H new ATOM 0 HA TYR A 100 106.983 11.681 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.545 12.141 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 100 106.002 13.757 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.288 11.234 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 100 104.368 15.279 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.921 11.802 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 100 102.000 15.848 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 100 99.912 15.131 -1.869 1.00 0.00 H new ATOM 1628 N LYS A 101 104.154 12.002 -3.559 1.00 0.00 N ATOM 1629 CA LYS A 101 103.145 11.257 -4.305 1.00 0.00 C ATOM 1630 C LYS A 101 103.785 10.408 -5.398 1.00 0.00 C ATOM 1631 O LYS A 101 103.297 9.324 -5.720 1.00 0.00 O ATOM 1632 CB LYS A 101 102.126 12.217 -4.921 1.00 0.00 C ATOM 1633 CG LYS A 101 100.775 12.198 -4.227 1.00 0.00 C ATOM 1634 CD LYS A 101 99.637 12.053 -5.226 1.00 0.00 C ATOM 1635 CE LYS A 101 98.335 11.681 -4.537 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.727 10.456 -5.124 1.00 0.00 N ATOM 0 H LYS A 101 104.030 13.014 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 101 102.636 10.591 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.528 13.230 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.989 11.962 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.742 11.374 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.645 13.118 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 101 99.508 12.989 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 101 99.892 11.290 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.519 11.522 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 101 97.632 12.510 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.712 10.430 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 97.852 10.467 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 98.192 9.614 -4.728 1.00 0.00 H new ATOM 1650 N VAL A 102 104.877 10.904 -5.966 1.00 0.00 N ATOM 1651 CA VAL A 102 105.581 10.189 -7.024 1.00 0.00 C ATOM 1652 C VAL A 102 106.075 8.832 -6.534 1.00 0.00 C ATOM 1653 O VAL A 102 106.032 7.843 -7.266 1.00 0.00 O ATOM 1654 CB VAL A 102 106.783 10.997 -7.543 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.764 11.278 -6.416 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.466 10.262 -8.686 1.00 0.00 C ATOM 0 H VAL A 102 105.295 11.799 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 102 104.869 10.045 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 102 106.420 11.952 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.607 11.850 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.265 11.850 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.124 10.335 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.314 10.848 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.817 9.291 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.757 10.119 -9.502 1.00 0.00 H new ATOM 1666 N ALA A 103 106.546 8.795 -5.294 1.00 0.00 N ATOM 1667 CA ALA A 103 107.053 7.562 -4.705 1.00 0.00 C ATOM 1668 C ALA A 103 105.961 6.500 -4.622 1.00 0.00 C ATOM 1669 O ALA A 103 106.246 5.303 -4.610 1.00 0.00 O ATOM 1670 CB ALA A 103 107.630 7.836 -3.324 1.00 0.00 C ATOM 0 H ALA A 103 106.588 9.605 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 103 107.844 7.181 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 103 108.005 6.907 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.447 8.553 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.852 8.245 -2.679 1.00 0.00 H new ATOM 1676 N ILE A 104 104.711 6.947 -4.563 1.00 0.00 N ATOM 1677 CA ILE A 104 103.575 6.035 -4.478 1.00 0.00 C ATOM 1678 C ILE A 104 103.543 5.079 -5.664 1.00 0.00 C ATOM 1679 O ILE A 104 103.188 3.909 -5.522 1.00 0.00 O ATOM 1680 CB ILE A 104 102.241 6.805 -4.424 1.00 0.00 C ATOM 1681 CG1 ILE A 104 102.051 7.457 -3.052 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.081 5.872 -4.736 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.313 8.081 -2.494 1.00 0.00 C ATOM 0 H ILE A 104 104.458 7.935 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 104 103.699 5.464 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 104 102.265 7.593 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.280 8.224 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.686 6.707 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.145 6.429 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.210 5.453 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.056 5.065 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 104 103.101 8.523 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 104 104.080 7.315 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.668 8.855 -3.174 1.00 0.00 H new ATOM 1695 N ASN A 105 103.914 5.584 -6.833 1.00 0.00 N ATOM 1696 CA ASN A 105 103.923 4.775 -8.046 1.00 0.00 C ATOM 1697 C ASN A 105 104.835 3.563 -7.890 1.00 0.00 C ATOM 1698 O ASN A 105 104.609 2.520 -8.504 1.00 0.00 O ATOM 1699 CB ASN A 105 104.378 5.617 -9.239 1.00 0.00 C ATOM 1700 CG ASN A 105 104.063 4.958 -10.567 1.00 0.00 C ATOM 1701 OD1 ASN A 105 104.867 4.193 -11.099 1.00 0.00 O ATOM 1702 ND2 ASN A 105 102.887 5.251 -11.110 1.00 0.00 N ATOM 0 H ASN A 105 104.213 6.550 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 105 102.907 4.420 -8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.894 6.593 -9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.452 5.791 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 105 102.620 4.836 -12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 105 102.251 5.891 -10.634 1.00 0.00 H new ATOM 1709 N GLU A 106 105.870 3.709 -7.070 1.00 0.00 N ATOM 1710 CA GLU A 106 106.821 2.627 -6.838 1.00 0.00 C ATOM 1711 C GLU A 106 106.214 1.522 -5.978 1.00 0.00 C ATOM 1712 O GLU A 106 106.502 0.341 -6.177 1.00 0.00 O ATOM 1713 CB GLU A 106 108.085 3.170 -6.168 1.00 0.00 C ATOM 1714 CG GLU A 106 109.196 3.511 -7.148 1.00 0.00 C ATOM 1715 CD GLU A 106 110.172 4.528 -6.592 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.058 4.869 -5.395 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.053 4.984 -7.351 1.00 0.00 O ATOM 0 H GLU A 106 106.072 4.566 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 106 107.078 2.199 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.829 4.063 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.454 2.432 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.736 2.601 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.758 3.899 -8.068 1.00 0.00 H new ATOM 1724 N ALA A 107 105.368 1.906 -5.025 1.00 0.00 N ATOM 1725 CA ALA A 107 104.726 0.941 -4.145 1.00 0.00 C ATOM 1726 C ALA A 107 104.348 -0.312 -4.917 1.00 0.00 C ATOM 1727 O ALA A 107 104.908 -1.388 -4.698 1.00 0.00 O ATOM 1728 CB ALA A 107 103.495 1.554 -3.498 1.00 0.00 C ATOM 0 H ALA A 107 105.113 2.877 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 107 105.431 0.665 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.025 0.821 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.787 2.427 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.789 1.854 -4.272 1.00 0.00 H new ATOM 1734 N ILE A 108 103.392 -0.160 -5.824 1.00 0.00 N ATOM 1735 CA ILE A 108 102.924 -1.272 -6.634 1.00 0.00 C ATOM 1736 C ILE A 108 104.081 -2.085 -7.204 1.00 0.00 C ATOM 1737 O ILE A 108 104.082 -3.312 -7.130 1.00 0.00 O ATOM 1738 CB ILE A 108 102.035 -0.791 -7.795 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.003 0.219 -7.293 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.349 -1.976 -8.461 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.941 0.559 -8.316 1.00 0.00 C ATOM 0 H ILE A 108 102.925 0.726 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 108 102.338 -1.906 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 108 102.664 -0.297 -8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.521 -0.180 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.516 1.134 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.724 -1.621 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.102 -2.661 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.729 -2.495 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.244 1.281 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.412 0.988 -9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.401 -0.346 -8.595 1.00 0.00 H new ATOM 1753 N GLU A 109 105.059 -1.396 -7.779 1.00 0.00 N ATOM 1754 CA GLU A 109 106.214 -2.062 -8.369 1.00 0.00 C ATOM 1755 C GLU A 109 106.927 -2.940 -7.346 1.00 0.00 C ATOM 1756 O GLU A 109 107.261 -4.092 -7.625 1.00 0.00 O ATOM 1757 CB GLU A 109 107.189 -1.028 -8.935 1.00 0.00 C ATOM 1758 CG GLU A 109 107.111 -0.883 -10.446 1.00 0.00 C ATOM 1759 CD GLU A 109 108.394 -1.301 -11.139 1.00 0.00 C ATOM 1760 OE1 GLU A 109 108.825 -2.457 -10.943 1.00 0.00 O ATOM 1761 OE2 GLU A 109 108.967 -0.472 -11.876 1.00 0.00 O ATOM 0 H GLU A 109 105.076 -0.379 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 109 105.856 -2.700 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 109 106.988 -0.061 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.205 -1.308 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.285 -1.487 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 109 106.888 0.154 -10.697 1.00 0.00 H new ATOM 1768 N LEU A 110 107.159 -2.387 -6.163 1.00 0.00 N ATOM 1769 CA LEU A 110 107.838 -3.115 -5.099 1.00 0.00 C ATOM 1770 C LEU A 110 106.904 -4.124 -4.436 1.00 0.00 C ATOM 1771 O LEU A 110 107.296 -4.829 -3.507 1.00 0.00 O ATOM 1772 CB LEU A 110 108.376 -2.131 -4.058 1.00 0.00 C ATOM 1773 CG LEU A 110 109.091 -0.906 -4.634 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.271 -0.517 -3.759 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.548 -1.178 -6.060 1.00 0.00 C ATOM 0 H LEU A 110 106.887 -1.436 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 110 108.669 -3.666 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.546 -1.791 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.067 -2.661 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 110 108.388 -0.073 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.767 0.356 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.917 -0.280 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.976 -1.347 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.054 -0.297 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.235 -2.024 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 110 108.683 -1.408 -6.682 1.00 0.00 H new ATOM 1787 N ALA A 111 105.670 -4.191 -4.920 1.00 0.00 N ATOM 1788 CA ALA A 111 104.688 -5.116 -4.369 1.00 0.00 C ATOM 1789 C ALA A 111 104.457 -6.298 -5.305 1.00 0.00 C ATOM 1790 O ALA A 111 103.758 -7.248 -4.952 1.00 0.00 O ATOM 1791 CB ALA A 111 103.378 -4.396 -4.096 1.00 0.00 C ATOM 0 H ALA A 111 105.326 -3.618 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 111 105.081 -5.502 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.655 -5.100 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 111 103.547 -3.591 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 111 102.991 -3.980 -5.026 1.00 0.00 H new ATOM 1797 N LYS A 112 105.046 -6.238 -6.495 1.00 0.00 N ATOM 1798 CA LYS A 112 104.894 -7.311 -7.473 1.00 0.00 C ATOM 1799 C LYS A 112 106.211 -8.048 -7.690 1.00 0.00 C ATOM 1800 O LYS A 112 106.361 -9.204 -7.292 1.00 0.00 O ATOM 1801 CB LYS A 112 104.386 -6.755 -8.804 1.00 0.00 C ATOM 1802 CG LYS A 112 104.228 -5.244 -8.815 1.00 0.00 C ATOM 1803 CD LYS A 112 104.008 -4.718 -10.225 1.00 0.00 C ATOM 1804 CE LYS A 112 102.548 -4.374 -10.470 1.00 0.00 C ATOM 1805 NZ LYS A 112 101.966 -5.181 -11.578 1.00 0.00 N ATOM 0 H LYS A 112 105.631 -5.462 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 112 104.164 -8.018 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.077 -7.045 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 112 103.425 -7.214 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 112 103.386 -4.960 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.117 -4.781 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 112 104.623 -3.832 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 112 104.333 -5.466 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 112 101.977 -4.545 -9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 112 102.460 -3.314 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 100.969 -4.917 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 102.495 -4.999 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 102.027 -6.192 -11.340 1.00 0.00 H new ATOM 1819 N SER A 113 107.160 -7.376 -8.332 1.00 0.00 N ATOM 1820 CA SER A 113 108.463 -7.968 -8.612 1.00 0.00 C ATOM 1821 C SER A 113 109.251 -8.207 -7.328 1.00 0.00 C ATOM 1822 O SER A 113 110.111 -9.085 -7.270 1.00 0.00 O ATOM 1823 CB SER A 113 109.264 -7.064 -9.550 1.00 0.00 C ATOM 1824 OG SER A 113 110.177 -7.816 -10.329 1.00 0.00 O ATOM 0 H SER A 113 107.051 -6.419 -8.669 1.00 0.00 H new ATOM 0 HA SER A 113 108.295 -8.931 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.583 -6.521 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.806 -6.320 -8.967 1.00 0.00 H new ATOM 0 HG SER A 113 110.675 -7.214 -10.921 1.00 0.00 H new ATOM 1830 N PHE A 114 108.960 -7.415 -6.302 1.00 0.00 N ATOM 1831 CA PHE A 114 109.650 -7.538 -5.024 1.00 0.00 C ATOM 1832 C PHE A 114 108.822 -8.330 -4.017 1.00 0.00 C ATOM 1833 O PHE A 114 109.154 -8.382 -2.833 1.00 0.00 O ATOM 1834 CB PHE A 114 109.971 -6.151 -4.466 1.00 0.00 C ATOM 1835 CG PHE A 114 110.904 -5.361 -5.339 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.718 -6.001 -6.259 1.00 0.00 C ATOM 1837 CD2 PHE A 114 110.965 -3.981 -5.241 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.575 -5.278 -7.068 1.00 0.00 C ATOM 1839 CE2 PHE A 114 111.820 -3.253 -6.046 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.627 -3.902 -6.961 1.00 0.00 C ATOM 0 H PHE A 114 108.252 -6.682 -6.331 1.00 0.00 H new ATOM 0 HA PHE A 114 110.579 -8.082 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.043 -5.594 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.414 -6.259 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 114 111.683 -7.077 -6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 114 110.337 -3.468 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 114 113.203 -5.789 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 114 111.858 -2.177 -5.960 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.296 -3.335 -7.591 1.00 0.00 H new ATOM 1850 N GLY A 115 107.745 -8.947 -4.492 1.00 0.00 N ATOM 1851 CA GLY A 115 106.893 -9.728 -3.615 1.00 0.00 C ATOM 1852 C GLY A 115 105.999 -10.686 -4.376 1.00 0.00 C ATOM 1853 O GLY A 115 106.467 -11.691 -4.912 1.00 0.00 O ATOM 0 H GLY A 115 107.447 -8.920 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.514 -10.291 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.276 -9.055 -3.020 1.00 0.00 H new ATOM 1857 N ALA A 116 104.709 -10.374 -4.424 1.00 0.00 N ATOM 1858 CA ALA A 116 103.743 -11.213 -5.123 1.00 0.00 C ATOM 1859 C ALA A 116 102.813 -10.372 -5.993 1.00 0.00 C ATOM 1860 O ALA A 116 102.830 -9.144 -5.926 1.00 0.00 O ATOM 1861 CB ALA A 116 102.938 -12.031 -4.126 1.00 0.00 C ATOM 0 H ALA A 116 104.307 -9.545 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 116 104.293 -11.892 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.220 -12.653 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.610 -12.666 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.405 -11.361 -3.451 1.00 0.00 H new ATOM 1867 N GLU A 117 102.004 -11.041 -6.807 1.00 0.00 N ATOM 1868 CA GLU A 117 101.070 -10.351 -7.688 1.00 0.00 C ATOM 1869 C GLU A 117 99.669 -10.318 -7.082 1.00 0.00 C ATOM 1870 O GLU A 117 99.513 -10.331 -5.861 1.00 0.00 O ATOM 1871 CB GLU A 117 101.034 -11.031 -9.059 1.00 0.00 C ATOM 1872 CG GLU A 117 101.073 -10.054 -10.222 1.00 0.00 C ATOM 1873 CD GLU A 117 99.994 -10.330 -11.251 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.026 -11.415 -11.868 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.117 -9.461 -11.439 1.00 0.00 O ATOM 0 H GLU A 117 101.976 -12.058 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 117 101.414 -9.324 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 117 101.880 -11.713 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.130 -11.635 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.957 -9.039 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 117 102.050 -10.105 -10.703 1.00 0.00 H new ATOM 1882 N ASP A 118 98.655 -10.267 -7.941 1.00 0.00 N ATOM 1883 CA ASP A 118 97.269 -10.226 -7.489 1.00 0.00 C ATOM 1884 C ASP A 118 96.966 -8.902 -6.796 1.00 0.00 C ATOM 1885 O ASP A 118 96.441 -7.974 -7.412 1.00 0.00 O ATOM 1886 CB ASP A 118 96.979 -11.392 -6.541 1.00 0.00 C ATOM 1887 CG ASP A 118 95.874 -11.072 -5.553 1.00 0.00 C ATOM 1888 OD1 ASP A 118 94.859 -10.475 -5.970 1.00 0.00 O ATOM 1889 OD2 ASP A 118 96.024 -11.417 -4.362 1.00 0.00 O ATOM 0 H ASP A 118 98.768 -10.253 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 118 96.625 -10.316 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 118 96.699 -12.270 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.887 -11.648 -5.996 1.00 0.00 H new ATOM 1894 N SER A 119 97.304 -8.819 -5.514 1.00 0.00 N ATOM 1895 CA SER A 119 97.071 -7.604 -4.740 1.00 0.00 C ATOM 1896 C SER A 119 98.302 -6.704 -4.766 1.00 0.00 C ATOM 1897 O SER A 119 99.184 -6.818 -3.914 1.00 0.00 O ATOM 1898 CB SER A 119 96.710 -7.955 -3.295 1.00 0.00 C ATOM 1899 OG SER A 119 97.131 -9.268 -2.968 1.00 0.00 O ATOM 0 H SER A 119 97.740 -9.577 -4.989 1.00 0.00 H new ATOM 0 HA SER A 119 96.238 -7.066 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 119 97.177 -7.241 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 119 95.632 -7.870 -3.155 1.00 0.00 H new ATOM 0 HG SER A 119 96.571 -9.918 -3.441 1.00 0.00 H new ATOM 1905 N HIS A 120 98.357 -5.813 -5.750 1.00 0.00 N ATOM 1906 CA HIS A 120 99.484 -4.896 -5.886 1.00 0.00 C ATOM 1907 C HIS A 120 99.025 -3.443 -5.800 1.00 0.00 C ATOM 1908 O HIS A 120 99.716 -2.597 -5.242 1.00 0.00 O ATOM 1909 CB HIS A 120 100.207 -5.136 -7.213 1.00 0.00 C ATOM 1910 CG HIS A 120 99.297 -5.560 -8.324 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.507 -4.676 -9.030 1.00 0.00 N ATOM 1912 CD2 HIS A 120 99.054 -6.783 -8.853 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.819 -5.337 -9.944 1.00 0.00 C ATOM 1914 NE2 HIS A 120 98.133 -6.616 -9.857 1.00 0.00 N ATOM 0 H HIS A 120 97.636 -5.706 -6.464 1.00 0.00 H new ATOM 0 HA HIS A 120 100.173 -5.087 -5.063 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.723 -4.222 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.970 -5.901 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.501 -7.716 -8.543 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.119 -4.904 -10.643 1.00 0.00 H new ATOM 0 HE2 HIS A 120 97.753 -7.360 -10.442 1.00 0.00 H new ATOM 1923 N LYS A 121 97.856 -3.159 -6.359 1.00 0.00 N ATOM 1924 CA LYS A 121 97.316 -1.803 -6.342 1.00 0.00 C ATOM 1925 C LYS A 121 97.117 -1.308 -4.912 1.00 0.00 C ATOM 1926 O LYS A 121 97.319 -0.129 -4.619 1.00 0.00 O ATOM 1927 CB LYS A 121 95.988 -1.753 -7.098 1.00 0.00 C ATOM 1928 CG LYS A 121 95.893 -0.600 -8.084 1.00 0.00 C ATOM 1929 CD LYS A 121 95.736 0.732 -7.369 1.00 0.00 C ATOM 1930 CE LYS A 121 95.935 1.901 -8.319 1.00 0.00 C ATOM 1931 NZ LYS A 121 94.941 1.893 -9.427 1.00 0.00 N ATOM 0 H LYS A 121 97.265 -3.845 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 121 98.035 -1.149 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.849 -2.692 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.173 -1.673 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 121 96.788 -0.577 -8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.045 -0.759 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.744 0.791 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 121 96.458 0.796 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 121 95.854 2.836 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 121 96.942 1.863 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 95.023 2.774 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 95.123 1.081 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 93.982 1.818 -9.032 1.00 0.00 H new ATOM 1945 N PHE A 122 96.718 -2.216 -4.027 1.00 0.00 N ATOM 1946 CA PHE A 122 96.481 -1.871 -2.629 1.00 0.00 C ATOM 1947 C PHE A 122 97.735 -1.296 -1.978 1.00 0.00 C ATOM 1948 O PHE A 122 97.650 -0.421 -1.116 1.00 0.00 O ATOM 1949 CB PHE A 122 96.013 -3.103 -1.852 1.00 0.00 C ATOM 1950 CG PHE A 122 96.629 -3.222 -0.488 1.00 0.00 C ATOM 1951 CD1 PHE A 122 96.244 -2.373 0.537 1.00 0.00 C ATOM 1952 CD2 PHE A 122 97.594 -4.183 -0.231 1.00 0.00 C ATOM 1953 CE1 PHE A 122 96.810 -2.480 1.793 1.00 0.00 C ATOM 1954 CE2 PHE A 122 98.164 -4.294 1.023 1.00 0.00 C ATOM 1955 CZ PHE A 122 97.771 -3.442 2.036 1.00 0.00 C ATOM 0 H PHE A 122 96.552 -3.197 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 122 95.703 -1.108 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 122 94.928 -3.068 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.250 -3.997 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 122 95.493 -1.619 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 122 97.904 -4.853 -1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 122 96.501 -1.812 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 122 98.916 -5.046 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 122 98.214 -3.528 3.017 1.00 0.00 H new ATOM 1965 N VAL A 123 98.896 -1.785 -2.394 1.00 0.00 N ATOM 1966 CA VAL A 123 100.159 -1.309 -1.845 1.00 0.00 C ATOM 1967 C VAL A 123 100.403 0.153 -2.211 1.00 0.00 C ATOM 1968 O VAL A 123 100.930 0.922 -1.411 1.00 0.00 O ATOM 1969 CB VAL A 123 101.358 -2.172 -2.296 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.682 -1.956 -3.765 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.574 -1.871 -1.437 1.00 0.00 C ATOM 0 H VAL A 123 98.989 -2.508 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 123 100.076 -1.395 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 123 101.081 -3.219 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.531 -2.580 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.817 -2.225 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 123 101.931 -0.908 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.412 -2.486 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.837 -0.818 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.347 -2.093 -0.394 1.00 0.00 H new ATOM 1981 N ASN A 124 100.022 0.535 -3.423 1.00 0.00 N ATOM 1982 CA ASN A 124 100.211 1.906 -3.878 1.00 0.00 C ATOM 1983 C ASN A 124 99.540 2.892 -2.928 1.00 0.00 C ATOM 1984 O ASN A 124 100.109 3.930 -2.588 1.00 0.00 O ATOM 1985 CB ASN A 124 99.651 2.079 -5.291 1.00 0.00 C ATOM 1986 CG ASN A 124 98.656 3.219 -5.382 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.572 3.160 -4.803 1.00 0.00 O ATOM 1988 ND2 ASN A 124 99.021 4.265 -6.115 1.00 0.00 N ATOM 0 H ASN A 124 99.582 -0.082 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 124 101.281 2.113 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.472 2.260 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.168 1.153 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 124 98.392 5.062 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.930 4.271 -6.578 1.00 0.00 H new ATOM 1995 N GLY A 125 98.327 2.559 -2.501 1.00 0.00 N ATOM 1996 CA GLY A 125 97.595 3.430 -1.602 1.00 0.00 C ATOM 1997 C GLY A 125 98.311 3.653 -0.286 1.00 0.00 C ATOM 1998 O GLY A 125 98.230 4.737 0.289 1.00 0.00 O ATOM 0 H GLY A 125 97.838 1.702 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.431 4.392 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.612 3.000 -1.407 1.00 0.00 H new ATOM 2002 N VAL A 126 99.022 2.636 0.192 1.00 0.00 N ATOM 2003 CA VAL A 126 99.749 2.761 1.447 1.00 0.00 C ATOM 2004 C VAL A 126 100.751 3.901 1.374 1.00 0.00 C ATOM 2005 O VAL A 126 100.927 4.650 2.335 1.00 0.00 O ATOM 2006 CB VAL A 126 100.507 1.470 1.813 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.780 0.242 1.283 1.00 0.00 C ATOM 2008 CG2 VAL A 126 101.940 1.533 1.299 1.00 0.00 C ATOM 0 H VAL A 126 99.109 1.728 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 126 99.003 2.959 2.217 1.00 0.00 H new ATOM 0 HB VAL A 126 100.541 1.385 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.336 -0.655 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.781 0.195 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.702 0.306 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.463 0.614 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 126 101.933 1.646 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.451 2.384 1.749 1.00 0.00 H new ATOM 2018 N LEU A 127 101.405 4.033 0.224 1.00 0.00 N ATOM 2019 CA LEU A 127 102.386 5.088 0.029 1.00 0.00 C ATOM 2020 C LEU A 127 101.707 6.449 -0.027 1.00 0.00 C ATOM 2021 O LEU A 127 102.280 7.458 0.381 1.00 0.00 O ATOM 2022 CB LEU A 127 103.189 4.845 -1.247 1.00 0.00 C ATOM 2023 CG LEU A 127 104.630 4.385 -1.024 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.444 4.543 -2.298 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.268 5.165 0.115 1.00 0.00 C ATOM 0 H LEU A 127 101.272 3.423 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 127 103.070 5.077 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.673 4.095 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.203 5.765 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 127 104.616 3.329 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.467 4.211 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.000 3.941 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.450 5.591 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.293 4.824 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.269 6.228 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.699 5.003 1.031 1.00 0.00 H new ATOM 2037 N ASP A 128 100.478 6.467 -0.536 1.00 0.00 N ATOM 2038 CA ASP A 128 99.723 7.707 -0.643 1.00 0.00 C ATOM 2039 C ASP A 128 99.486 8.305 0.737 1.00 0.00 C ATOM 2040 O ASP A 128 99.666 9.502 0.943 1.00 0.00 O ATOM 2041 CB ASP A 128 98.386 7.457 -1.343 1.00 0.00 C ATOM 2042 CG ASP A 128 97.993 8.596 -2.262 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.610 8.730 -3.340 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.068 9.357 -1.904 1.00 0.00 O ATOM 0 H ASP A 128 99.988 5.641 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 128 100.303 8.414 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.448 6.534 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.608 7.314 -0.593 1.00 0.00 H new ATOM 2049 N LYS A 129 99.083 7.460 1.678 1.00 0.00 N ATOM 2050 CA LYS A 129 98.829 7.901 3.042 1.00 0.00 C ATOM 2051 C LYS A 129 100.130 8.056 3.831 1.00 0.00 C ATOM 2052 O LYS A 129 100.302 9.018 4.580 1.00 0.00 O ATOM 2053 CB LYS A 129 97.905 6.912 3.754 1.00 0.00 C ATOM 2054 CG LYS A 129 96.775 6.398 2.879 1.00 0.00 C ATOM 2055 CD LYS A 129 95.644 7.408 2.777 1.00 0.00 C ATOM 2056 CE LYS A 129 94.335 6.832 3.293 1.00 0.00 C ATOM 2057 NZ LYS A 129 93.389 7.900 3.721 1.00 0.00 N ATOM 0 H LYS A 129 98.925 6.465 1.520 1.00 0.00 H new ATOM 0 HA LYS A 129 98.345 8.876 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.495 6.066 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.481 7.394 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.157 6.177 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.393 5.463 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.900 8.301 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.523 7.717 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 129 93.872 6.228 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.537 6.168 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 92.509 7.466 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.821 8.461 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 93.176 8.519 2.913 1.00 0.00 H new ATOM 2071 N ALA A 130 101.031 7.086 3.678 1.00 0.00 N ATOM 2072 CA ALA A 130 102.303 7.096 4.396 1.00 0.00 C ATOM 2073 C ALA A 130 103.279 8.148 3.869 1.00 0.00 C ATOM 2074 O ALA A 130 103.973 8.800 4.649 1.00 0.00 O ATOM 2075 CB ALA A 130 102.942 5.717 4.340 1.00 0.00 C ATOM 0 H ALA A 130 100.902 6.283 3.062 1.00 0.00 H new ATOM 0 HA ALA A 130 102.081 7.363 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 130 103.890 5.733 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.276 4.988 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.119 5.440 3.301 1.00 0.00 H new ATOM 2081 N ALA A 131 103.349 8.298 2.552 1.00 0.00 N ATOM 2082 CA ALA A 131 104.268 9.257 1.945 1.00 0.00 C ATOM 2083 C ALA A 131 104.123 10.639 2.571 1.00 0.00 C ATOM 2084 O ALA A 131 105.068 11.175 3.150 1.00 0.00 O ATOM 2085 CB ALA A 131 104.055 9.322 0.441 1.00 0.00 C ATOM 0 H ALA A 131 102.784 7.772 1.885 1.00 0.00 H new ATOM 0 HA ALA A 131 105.284 8.913 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.749 10.042 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 131 104.232 8.339 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 131 103.031 9.632 0.232 1.00 0.00 H new ATOM 2091 N PRO A 132 102.930 11.228 2.463 1.00 0.00 N ATOM 2092 CA PRO A 132 102.635 12.557 3.018 1.00 0.00 C ATOM 2093 C PRO A 132 102.753 12.591 4.539 1.00 0.00 C ATOM 2094 O PRO A 132 101.807 12.957 5.237 1.00 0.00 O ATOM 2095 CB PRO A 132 101.182 12.797 2.591 1.00 0.00 C ATOM 2096 CG PRO A 132 100.633 11.431 2.376 1.00 0.00 C ATOM 2097 CD PRO A 132 101.763 10.645 1.793 1.00 0.00 C ATOM 0 HA PRO A 132 103.334 13.314 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.625 13.334 3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.128 13.395 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.289 10.992 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.777 11.452 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.666 9.579 2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.819 10.756 0.710 1.00 0.00 H new ATOM 2105 N VAL A 133 103.918 12.203 5.046 1.00 0.00 N ATOM 2106 CA VAL A 133 104.159 12.187 6.486 1.00 0.00 C ATOM 2107 C VAL A 133 105.596 12.583 6.817 1.00 0.00 C ATOM 2108 O VAL A 133 105.848 13.256 7.816 1.00 0.00 O ATOM 2109 CB VAL A 133 103.872 10.799 7.087 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.774 10.539 8.284 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.407 10.678 7.478 1.00 0.00 C ATOM 0 H VAL A 133 104.711 11.895 4.482 1.00 0.00 H new ATOM 0 HA VAL A 133 103.478 12.916 6.924 1.00 0.00 H new ATOM 0 HB VAL A 133 104.085 10.045 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.557 9.553 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.817 10.579 7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 133 104.595 11.298 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.224 9.690 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 133 102.164 11.440 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.782 10.817 6.596 1.00 0.00 H new ATOM 2121 N ILE A 134 106.535 12.158 5.977 1.00 0.00 N ATOM 2122 CA ILE A 134 107.945 12.469 6.186 1.00 0.00 C ATOM 2123 C ILE A 134 108.220 13.954 5.969 1.00 0.00 C ATOM 2124 O ILE A 134 108.997 14.565 6.703 1.00 0.00 O ATOM 2125 CB ILE A 134 108.848 11.650 5.243 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.294 10.352 5.923 1.00 0.00 C ATOM 2127 CG2 ILE A 134 110.051 12.473 4.815 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.273 9.243 5.814 1.00 0.00 C ATOM 0 H ILE A 134 106.345 11.598 5.146 1.00 0.00 H new ATOM 0 HA ILE A 134 108.175 12.206 7.218 1.00 0.00 H new ATOM 0 HB ILE A 134 108.276 11.390 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.232 10.019 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.494 10.551 6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.679 11.881 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 134 109.712 13.368 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.626 12.762 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 134 108.649 8.351 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.342 9.558 6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 134 108.091 9.018 4.763 1.00 0.00 H new ATOM 2140 N ARG A 135 107.582 14.529 4.953 1.00 0.00 N ATOM 2141 CA ARG A 135 107.765 15.942 4.637 1.00 0.00 C ATOM 2142 C ARG A 135 106.423 16.647 4.466 1.00 0.00 C ATOM 2143 O ARG A 135 106.108 17.143 3.387 1.00 0.00 O ATOM 2144 CB ARG A 135 108.598 16.095 3.363 1.00 0.00 C ATOM 2145 CG ARG A 135 108.148 15.186 2.231 1.00 0.00 C ATOM 2146 CD ARG A 135 107.630 15.985 1.044 1.00 0.00 C ATOM 2147 NE ARG A 135 108.428 17.184 0.803 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.065 18.153 -0.033 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.922 18.063 -0.699 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.845 19.212 -0.201 1.00 0.00 N ATOM 0 H ARG A 135 106.935 14.039 4.336 1.00 0.00 H new ATOM 0 HA ARG A 135 108.292 16.407 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.548 17.131 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 135 109.642 15.885 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.982 14.560 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.366 14.517 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.639 15.358 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.593 16.269 1.223 1.00 0.00 H new ATOM 0 HE ARG A 135 109.312 17.284 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 135 106.320 17.250 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.645 18.807 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.724 19.284 0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.566 19.954 -0.842 1.00 0.00 H new