USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1017 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 97 CYS SG : rot 85:sc= 2.2 USER MOD Set 1.2: A 99 CYS SG : rot -45:sc= 0.894 USER MOD Set 1.3: A 101 SER OG : rot 114:sc= 1.25 USER MOD Set 1.4: A 145 CYS SG : rot -65:sc= 0.864 USER MOD Set 2.1: A 95 THR OG1 : rot -130:sc= -0.643 USER MOD Set 2.2: A 147 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 149 HIS : no HD1:sc= -2.47 K(o=-3.1,f=0.017) USER MOD Set 3.1: A 80 GLN : amide:sc= -1.31 K(o=-2.6,f=1.8) USER MOD Set 3.2: A 174 SER OG : rot 130:sc= -1.31 USER MOD Set 4.1: A 73 GLN : amide:sc= -1.19 K(o=-2.7,f=0.36) USER MOD Set 4.2: A 76 THR OG1 : rot 115:sc= -1.5 USER MOD Set 5.1: A 47 CYS SG : rot -47:sc= 1.37 USER MOD Set 5.2: A 52 CYS SG : rot 10:sc= 0.482 USER MOD Single : A 34 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.092) USER MOD Single : A 37 SER OG : rot -120:sc= -0.451 USER MOD Single : A 38 THR OG1 : rot 82:sc= -0.121 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.8!) USER MOD Single : A 42 SER OG : rot 28:sc= 0.69 USER MOD Single : A 46 THR OG1 : rot 110:sc= -0.608 USER MOD Single : A 49 ASN : amide:sc= -0.95 K(o=-0.95,f=-4.9!) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.111 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -7.35! C(o=-7.3!,f=-9.2!) USER MOD Single : A 72 THR OG1 : rot 21:sc= 0.538 USER MOD Single : A 74 MET CE :methyl -134:sc= -0.266 (180deg=-1.26) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.04 K(o=-1,f=-12!) USER MOD Single : A 86 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.23) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 139:sc= 0.114 USER MOD Single : A 108 THR OG1 : rot 142:sc= -1.52 USER MOD Single : A 110 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.029) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.105 USER MOD Single : A 128 SER OG : rot -140:sc= -1.13 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 104:sc=-0.00679 USER MOD Single : A 139 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 159 CYS SG : rot 25:sc= -2.17! USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 MET CE :methyl -171:sc= -4.41! (180deg=-5.29!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 81:sc= 0.346 USER MOD Single : A 179 MET CE :methyl 151:sc= -0.207 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 111.614 10.849 0.930 1.00 0.00 N ATOM 150 CA GLU A 32 111.647 9.980 -0.284 1.00 0.00 C ATOM 151 C GLU A 32 111.427 8.511 0.101 1.00 0.00 C ATOM 152 O GLU A 32 110.982 7.713 -0.702 1.00 0.00 O ATOM 153 CB GLU A 32 113.045 10.175 -0.870 1.00 0.00 C ATOM 154 CG GLU A 32 113.206 11.623 -1.338 1.00 0.00 C ATOM 155 CD GLU A 32 113.693 12.488 -0.172 1.00 0.00 C ATOM 156 OE1 GLU A 32 114.443 11.980 0.645 1.00 0.00 O ATOM 157 OE2 GLU A 32 113.307 13.644 -0.118 1.00 0.00 O ATOM 0 HA GLU A 32 110.863 10.239 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.801 9.938 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 32 113.199 9.492 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 32 113.917 11.672 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 32 112.256 12.002 -1.713 1.00 0.00 H new ATOM 164 N VAL A 33 111.737 8.154 1.323 1.00 0.00 N ATOM 165 CA VAL A 33 111.551 6.739 1.765 1.00 0.00 C ATOM 166 C VAL A 33 110.562 6.679 2.936 1.00 0.00 C ATOM 167 O VAL A 33 110.538 7.552 3.784 1.00 0.00 O ATOM 168 CB VAL A 33 112.948 6.270 2.193 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.468 7.143 3.341 1.00 0.00 C ATOM 170 CG2 VAL A 33 112.886 4.809 2.653 1.00 0.00 C ATOM 0 H VAL A 33 112.111 8.783 2.034 1.00 0.00 H new ATOM 0 HA VAL A 33 111.140 6.105 0.979 1.00 0.00 H new ATOM 0 HB VAL A 33 113.624 6.356 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.460 6.802 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.524 8.181 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.790 7.068 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.880 4.480 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 112.202 4.722 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.531 4.184 1.833 1.00 0.00 H new ATOM 180 N GLN A 34 109.749 5.654 2.984 1.00 0.00 N ATOM 181 CA GLN A 34 108.757 5.529 4.094 1.00 0.00 C ATOM 182 C GLN A 34 109.144 4.372 5.021 1.00 0.00 C ATOM 183 O GLN A 34 109.605 3.336 4.577 1.00 0.00 O ATOM 184 CB GLN A 34 107.424 5.241 3.404 1.00 0.00 C ATOM 185 CG GLN A 34 106.297 5.282 4.437 1.00 0.00 C ATOM 186 CD GLN A 34 106.089 6.721 4.909 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.612 7.556 4.164 1.00 0.00 O ATOM 188 NE2 GLN A 34 106.429 7.052 6.125 1.00 0.00 N ATOM 0 H GLN A 34 109.730 4.897 2.301 1.00 0.00 H new ATOM 0 HA GLN A 34 108.711 6.427 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.241 5.977 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 34 107.455 4.264 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 34 105.376 4.894 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.543 4.642 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.829 6.353 6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 34 106.295 8.010 6.449 1.00 0.00 H new ATOM 197 N VAL A 35 108.957 4.546 6.306 1.00 0.00 N ATOM 198 CA VAL A 35 109.310 3.464 7.272 1.00 0.00 C ATOM 199 C VAL A 35 108.171 2.437 7.358 1.00 0.00 C ATOM 200 O VAL A 35 107.021 2.792 7.531 1.00 0.00 O ATOM 201 CB VAL A 35 109.512 4.178 8.616 1.00 0.00 C ATOM 202 CG1 VAL A 35 108.216 4.882 9.046 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.920 3.152 9.679 1.00 0.00 C ATOM 0 H VAL A 35 108.574 5.393 6.727 1.00 0.00 H new ATOM 0 HA VAL A 35 110.202 2.914 6.972 1.00 0.00 H new ATOM 0 HB VAL A 35 110.297 4.927 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 35 108.374 5.384 10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 35 107.934 5.617 8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 35 107.419 4.145 9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 35 110.064 3.656 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 35 109.136 2.401 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 35 110.850 2.668 9.380 1.00 0.00 H new ATOM 213 N VAL A 36 108.486 1.171 7.237 1.00 0.00 N ATOM 214 CA VAL A 36 107.424 0.119 7.309 1.00 0.00 C ATOM 215 C VAL A 36 107.908 -1.076 8.139 1.00 0.00 C ATOM 216 O VAL A 36 109.071 -1.435 8.106 1.00 0.00 O ATOM 217 CB VAL A 36 107.168 -0.296 5.856 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.666 0.912 5.063 1.00 0.00 C ATOM 219 CG2 VAL A 36 108.464 -0.814 5.223 1.00 0.00 C ATOM 0 H VAL A 36 109.433 0.820 7.091 1.00 0.00 H new ATOM 0 HA VAL A 36 106.517 0.486 7.790 1.00 0.00 H new ATOM 0 HB VAL A 36 106.418 -1.087 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.484 0.618 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.739 1.278 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.417 1.702 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 108.273 -1.107 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 36 109.219 -0.028 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.824 -1.677 5.784 1.00 0.00 H new ATOM 229 N SER A 37 107.022 -1.690 8.884 1.00 0.00 N ATOM 230 CA SER A 37 107.421 -2.862 9.721 1.00 0.00 C ATOM 231 C SER A 37 106.465 -4.037 9.495 1.00 0.00 C ATOM 232 O SER A 37 105.276 -3.857 9.309 1.00 0.00 O ATOM 233 CB SER A 37 107.329 -2.367 11.164 1.00 0.00 C ATOM 234 OG SER A 37 108.380 -1.443 11.410 1.00 0.00 O ATOM 0 H SER A 37 106.038 -1.429 8.948 1.00 0.00 H new ATOM 0 HA SER A 37 108.420 -3.220 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.363 -1.892 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.399 -3.208 11.854 1.00 0.00 H new ATOM 0 HG SER A 37 108.945 -1.776 12.138 1.00 0.00 H new ATOM 240 N THR A 38 106.981 -5.238 9.516 1.00 0.00 N ATOM 241 CA THR A 38 106.121 -6.444 9.309 1.00 0.00 C ATOM 242 C THR A 38 105.790 -7.081 10.659 1.00 0.00 C ATOM 243 O THR A 38 106.033 -6.503 11.702 1.00 0.00 O ATOM 244 CB THR A 38 106.948 -7.406 8.439 1.00 0.00 C ATOM 245 OG1 THR A 38 107.831 -6.669 7.602 1.00 0.00 O ATOM 246 CG2 THR A 38 106.011 -8.245 7.566 1.00 0.00 C ATOM 0 H THR A 38 107.969 -5.438 9.669 1.00 0.00 H new ATOM 0 HA THR A 38 105.175 -6.195 8.828 1.00 0.00 H new ATOM 0 HB THR A 38 107.529 -8.060 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.630 -6.418 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.599 -8.926 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.339 -8.820 8.202 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.427 -7.587 6.923 1.00 0.00 H new ATOM 254 N ALA A 39 105.216 -8.254 10.644 1.00 0.00 N ATOM 255 CA ALA A 39 104.841 -8.924 11.923 1.00 0.00 C ATOM 256 C ALA A 39 106.078 -9.428 12.681 1.00 0.00 C ATOM 257 O ALA A 39 106.144 -9.339 13.893 1.00 0.00 O ATOM 258 CB ALA A 39 103.949 -10.098 11.515 1.00 0.00 C ATOM 0 H ALA A 39 104.990 -8.779 9.799 1.00 0.00 H new ATOM 0 HA ALA A 39 104.335 -8.233 12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.632 -10.641 12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.072 -9.723 10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.506 -10.768 10.861 1.00 0.00 H new ATOM 264 N THR A 40 107.049 -9.970 11.985 1.00 0.00 N ATOM 265 CA THR A 40 108.269 -10.495 12.680 1.00 0.00 C ATOM 266 C THR A 40 109.523 -9.694 12.303 1.00 0.00 C ATOM 267 O THR A 40 110.521 -9.739 12.999 1.00 0.00 O ATOM 268 CB THR A 40 108.405 -11.946 12.208 1.00 0.00 C ATOM 269 OG1 THR A 40 108.522 -11.977 10.790 1.00 0.00 O ATOM 270 CG2 THR A 40 107.174 -12.746 12.645 1.00 0.00 C ATOM 0 H THR A 40 107.051 -10.072 10.970 1.00 0.00 H new ATOM 0 HA THR A 40 108.171 -10.415 13.763 1.00 0.00 H new ATOM 0 HB THR A 40 109.296 -12.390 12.651 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.611 -12.906 10.489 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.272 -13.778 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.093 -12.725 13.732 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.279 -12.305 12.206 1.00 0.00 H new ATOM 278 N GLN A 41 109.486 -8.967 11.216 1.00 0.00 N ATOM 279 CA GLN A 41 110.684 -8.168 10.804 1.00 0.00 C ATOM 280 C GLN A 41 110.248 -6.800 10.274 1.00 0.00 C ATOM 281 O GLN A 41 109.104 -6.609 9.920 1.00 0.00 O ATOM 282 CB GLN A 41 111.360 -8.996 9.702 1.00 0.00 C ATOM 283 CG GLN A 41 110.406 -9.180 8.517 1.00 0.00 C ATOM 284 CD GLN A 41 110.753 -10.472 7.777 1.00 0.00 C ATOM 285 OE1 GLN A 41 111.900 -10.871 7.729 1.00 0.00 O ATOM 286 NE2 GLN A 41 109.802 -11.148 7.192 1.00 0.00 N ATOM 0 H GLN A 41 108.680 -8.891 10.595 1.00 0.00 H new ATOM 0 HA GLN A 41 111.363 -7.979 11.635 1.00 0.00 H new ATOM 0 HB2 GLN A 41 112.271 -8.498 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.653 -9.969 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 41 109.375 -9.216 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.482 -8.329 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 41 108.839 -10.813 7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 41 110.021 -12.011 6.695 1.00 0.00 H new ATOM 295 N SER A 42 111.149 -5.851 10.216 1.00 0.00 N ATOM 296 CA SER A 42 110.774 -4.496 9.708 1.00 0.00 C ATOM 297 C SER A 42 111.868 -3.934 8.794 1.00 0.00 C ATOM 298 O SER A 42 113.011 -3.799 9.186 1.00 0.00 O ATOM 299 CB SER A 42 110.626 -3.630 10.957 1.00 0.00 C ATOM 300 OG SER A 42 111.886 -3.522 11.606 1.00 0.00 O ATOM 0 H SER A 42 112.124 -5.955 10.497 1.00 0.00 H new ATOM 0 HA SER A 42 109.859 -4.525 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.258 -2.641 10.686 1.00 0.00 H new ATOM 0 HB3 SER A 42 109.892 -4.069 11.633 1.00 0.00 H new ATOM 0 HG SER A 42 112.603 -3.607 10.944 1.00 0.00 H new ATOM 306 N PHE A 43 111.514 -3.594 7.582 1.00 0.00 N ATOM 307 CA PHE A 43 112.513 -3.019 6.625 1.00 0.00 C ATOM 308 C PHE A 43 111.970 -1.711 6.044 1.00 0.00 C ATOM 309 O PHE A 43 110.929 -1.235 6.457 1.00 0.00 O ATOM 310 CB PHE A 43 112.735 -4.067 5.513 1.00 0.00 C ATOM 311 CG PHE A 43 111.436 -4.732 5.108 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.942 -5.804 5.859 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.737 -4.285 3.982 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.754 -6.432 5.488 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.542 -4.914 3.611 1.00 0.00 C ATOM 316 CZ PHE A 43 109.054 -5.988 4.365 1.00 0.00 C ATOM 0 H PHE A 43 110.569 -3.690 7.209 1.00 0.00 H new ATOM 0 HA PHE A 43 113.457 -2.795 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.185 -3.587 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.439 -4.823 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 43 111.483 -6.146 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.117 -3.458 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 43 109.376 -7.261 6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.997 -4.571 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 43 108.134 -6.474 4.077 1.00 0.00 H new ATOM 326 N LEU A 44 112.667 -1.116 5.109 1.00 0.00 N ATOM 327 CA LEU A 44 112.186 0.179 4.527 1.00 0.00 C ATOM 328 C LEU A 44 112.109 0.092 2.998 1.00 0.00 C ATOM 329 O LEU A 44 112.639 -0.818 2.390 1.00 0.00 O ATOM 330 CB LEU A 44 113.222 1.236 4.946 1.00 0.00 C ATOM 331 CG LEU A 44 113.490 1.170 6.457 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.588 2.171 6.822 1.00 0.00 C ATOM 333 CD2 LEU A 44 112.213 1.512 7.234 1.00 0.00 C ATOM 0 H LEU A 44 113.544 -1.467 4.724 1.00 0.00 H new ATOM 0 HA LEU A 44 111.186 0.426 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.152 1.076 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.862 2.230 4.679 1.00 0.00 H new ATOM 0 HG LEU A 44 113.808 0.161 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.780 2.126 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.501 1.924 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 44 114.267 3.177 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.414 1.462 8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.887 2.519 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.430 0.799 6.978 1.00 0.00 H new ATOM 345 N ALA A 45 111.446 1.040 2.380 1.00 0.00 N ATOM 346 CA ALA A 45 111.322 1.032 0.891 1.00 0.00 C ATOM 347 C ALA A 45 111.424 2.460 0.342 1.00 0.00 C ATOM 348 O ALA A 45 111.096 3.417 1.018 1.00 0.00 O ATOM 349 CB ALA A 45 109.934 0.451 0.615 1.00 0.00 C ATOM 0 H ALA A 45 110.984 1.821 2.846 1.00 0.00 H new ATOM 0 HA ALA A 45 112.112 0.452 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.764 0.411 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.872 -0.555 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.176 1.083 1.079 1.00 0.00 H new ATOM 355 N THR A 46 111.880 2.607 -0.877 1.00 0.00 N ATOM 356 CA THR A 46 112.009 3.971 -1.478 1.00 0.00 C ATOM 357 C THR A 46 111.356 4.005 -2.864 1.00 0.00 C ATOM 358 O THR A 46 111.472 3.072 -3.635 1.00 0.00 O ATOM 359 CB THR A 46 113.516 4.214 -1.587 1.00 0.00 C ATOM 360 OG1 THR A 46 114.107 4.092 -0.300 1.00 0.00 O ATOM 361 CG2 THR A 46 113.772 5.619 -2.135 1.00 0.00 C ATOM 0 H THR A 46 112.169 1.840 -1.483 1.00 0.00 H new ATOM 0 HA THR A 46 111.515 4.735 -0.878 1.00 0.00 H new ATOM 0 HB THR A 46 113.954 3.479 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.652 3.278 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 46 114.846 5.790 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.318 5.713 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.334 6.357 -1.463 1.00 0.00 H new ATOM 369 N CYS A 47 110.669 5.076 -3.181 1.00 0.00 N ATOM 370 CA CYS A 47 110.002 5.177 -4.518 1.00 0.00 C ATOM 371 C CYS A 47 111.028 5.519 -5.603 1.00 0.00 C ATOM 372 O CYS A 47 111.688 6.540 -5.546 1.00 0.00 O ATOM 373 CB CYS A 47 108.985 6.311 -4.371 1.00 0.00 C ATOM 374 SG CYS A 47 107.738 5.849 -3.144 1.00 0.00 S ATOM 0 H CYS A 47 110.541 5.884 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 47 109.531 4.239 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 47 109.489 7.228 -4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.509 6.513 -5.330 1.00 0.00 H new ATOM 0 HG CYS A 47 107.324 4.639 -3.380 1.00 0.00 H new ATOM 380 N VAL A 48 111.166 4.669 -6.592 1.00 0.00 N ATOM 381 CA VAL A 48 112.150 4.938 -7.685 1.00 0.00 C ATOM 382 C VAL A 48 111.490 4.768 -9.061 1.00 0.00 C ATOM 383 O VAL A 48 111.004 3.708 -9.402 1.00 0.00 O ATOM 384 CB VAL A 48 113.259 3.898 -7.486 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.341 4.082 -8.555 1.00 0.00 C ATOM 386 CG2 VAL A 48 113.887 4.076 -6.101 1.00 0.00 C ATOM 0 H VAL A 48 110.639 3.801 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 48 112.534 5.958 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 48 112.830 2.900 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.127 3.341 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.901 3.954 -9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.767 5.082 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.675 3.336 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.310 5.077 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.123 3.942 -5.335 1.00 0.00 H new ATOM 396 N ASN A 49 111.491 5.808 -9.856 1.00 0.00 N ATOM 397 CA ASN A 49 110.889 5.740 -11.229 1.00 0.00 C ATOM 398 C ASN A 49 109.469 5.150 -11.206 1.00 0.00 C ATOM 399 O ASN A 49 109.064 4.472 -12.131 1.00 0.00 O ATOM 400 CB ASN A 49 111.826 4.832 -12.027 1.00 0.00 C ATOM 401 CG ASN A 49 113.205 5.486 -12.132 1.00 0.00 C ATOM 402 OD1 ASN A 49 114.136 5.078 -11.465 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.378 6.490 -12.947 1.00 0.00 N ATOM 0 H ASN A 49 111.888 6.715 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 49 110.793 6.735 -11.664 1.00 0.00 H new ATOM 0 HB2 ASN A 49 111.909 3.860 -11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.419 4.656 -13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 49 114.294 6.932 -13.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 112.597 6.833 -13.507 1.00 0.00 H new ATOM 410 N GLY A 50 108.711 5.414 -10.171 1.00 0.00 N ATOM 411 CA GLY A 50 107.314 4.880 -10.105 1.00 0.00 C ATOM 412 C GLY A 50 107.284 3.517 -9.398 1.00 0.00 C ATOM 413 O GLY A 50 106.266 3.117 -8.864 1.00 0.00 O ATOM 0 H GLY A 50 108.998 5.976 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.675 5.585 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.910 4.781 -11.112 1.00 0.00 H new ATOM 417 N VAL A 51 108.384 2.805 -9.386 1.00 0.00 N ATOM 418 CA VAL A 51 108.409 1.474 -8.708 1.00 0.00 C ATOM 419 C VAL A 51 109.242 1.561 -7.426 1.00 0.00 C ATOM 420 O VAL A 51 110.325 2.116 -7.414 1.00 0.00 O ATOM 421 CB VAL A 51 109.035 0.501 -9.721 1.00 0.00 C ATOM 422 CG1 VAL A 51 110.468 0.924 -10.071 1.00 0.00 C ATOM 423 CG2 VAL A 51 109.059 -0.906 -9.119 1.00 0.00 C ATOM 0 H VAL A 51 109.264 3.088 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 51 107.414 1.139 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 51 108.436 0.513 -10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.890 0.221 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.456 1.923 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.077 0.929 -9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.502 -1.600 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 51 109.651 -0.900 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.041 -1.221 -8.890 1.00 0.00 H new ATOM 433 N CYS A 52 108.737 1.029 -6.343 1.00 0.00 N ATOM 434 CA CYS A 52 109.489 1.089 -5.054 1.00 0.00 C ATOM 435 C CYS A 52 110.364 -0.155 -4.896 1.00 0.00 C ATOM 436 O CYS A 52 109.883 -1.269 -4.968 1.00 0.00 O ATOM 437 CB CYS A 52 108.412 1.131 -3.969 1.00 0.00 C ATOM 438 SG CYS A 52 107.440 2.649 -4.137 1.00 0.00 S ATOM 0 H CYS A 52 107.835 0.555 -6.296 1.00 0.00 H new ATOM 0 HA CYS A 52 110.153 1.952 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.762 0.260 -4.053 1.00 0.00 H new ATOM 0 HB3 CYS A 52 108.874 1.090 -2.982 1.00 0.00 H new ATOM 0 HG CYS A 52 107.745 3.238 -5.255 1.00 0.00 H new ATOM 444 N TRP A 53 111.644 0.027 -4.684 1.00 0.00 N ATOM 445 CA TRP A 53 112.551 -1.148 -4.523 1.00 0.00 C ATOM 446 C TRP A 53 112.823 -1.413 -3.042 1.00 0.00 C ATOM 447 O TRP A 53 113.058 -0.503 -2.269 1.00 0.00 O ATOM 448 CB TRP A 53 113.842 -0.758 -5.241 1.00 0.00 C ATOM 449 CG TRP A 53 113.659 -0.911 -6.717 1.00 0.00 C ATOM 450 CD1 TRP A 53 113.639 0.109 -7.605 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.468 -2.131 -7.490 1.00 0.00 C ATOM 452 NE1 TRP A 53 113.449 -0.407 -8.873 1.00 0.00 N ATOM 453 CE2 TRP A 53 113.337 -1.782 -8.856 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.396 -3.492 -7.143 1.00 0.00 C ATOM 455 CZ2 TRP A 53 113.142 -2.750 -9.842 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.200 -4.469 -8.134 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.074 -4.097 -9.480 1.00 0.00 C ATOM 0 H TRP A 53 112.098 0.938 -4.616 1.00 0.00 H new ATOM 0 HA TRP A 53 112.115 -2.059 -4.933 1.00 0.00 H new ATOM 0 HB2 TRP A 53 114.107 0.272 -5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.665 -1.386 -4.899 1.00 0.00 H new ATOM 0 HD1 TRP A 53 113.753 1.155 -7.363 1.00 0.00 H new ATOM 0 HE1 TRP A 53 113.398 0.160 -9.719 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.492 -3.788 -6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 113.044 -2.460 -10.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.146 -5.512 -7.857 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.924 -4.853 -10.237 1.00 0.00 H new ATOM 468 N THR A 54 112.797 -2.659 -2.650 1.00 0.00 N ATOM 469 CA THR A 54 113.056 -3.015 -1.225 1.00 0.00 C ATOM 470 C THR A 54 113.971 -4.240 -1.156 1.00 0.00 C ATOM 471 O THR A 54 114.267 -4.853 -2.165 1.00 0.00 O ATOM 472 CB THR A 54 111.673 -3.326 -0.636 1.00 0.00 C ATOM 473 OG1 THR A 54 111.812 -3.688 0.733 1.00 0.00 O ATOM 474 CG2 THR A 54 111.014 -4.477 -1.410 1.00 0.00 C ATOM 0 H THR A 54 112.606 -3.452 -3.262 1.00 0.00 H new ATOM 0 HA THR A 54 113.554 -2.217 -0.675 1.00 0.00 H new ATOM 0 HB THR A 54 111.043 -2.440 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.960 -4.037 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 54 110.034 -4.688 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.901 -4.194 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.639 -5.367 -1.341 1.00 0.00 H new ATOM 482 N VAL A 55 114.407 -4.610 0.020 1.00 0.00 N ATOM 483 CA VAL A 55 115.286 -5.808 0.146 1.00 0.00 C ATOM 484 C VAL A 55 114.420 -7.072 0.151 1.00 0.00 C ATOM 485 O VAL A 55 113.342 -7.092 0.714 1.00 0.00 O ATOM 486 CB VAL A 55 116.014 -5.630 1.483 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.887 -6.855 1.779 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.900 -4.383 1.414 1.00 0.00 C ATOM 0 H VAL A 55 114.192 -4.135 0.897 1.00 0.00 H new ATOM 0 HA VAL A 55 115.993 -5.906 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 55 115.276 -5.519 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 55 117.399 -6.716 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 55 116.260 -7.745 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.624 -6.977 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.420 -4.253 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.631 -4.500 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.281 -3.508 1.216 1.00 0.00 H new ATOM 498 N TYR A 56 114.885 -8.120 -0.477 1.00 0.00 N ATOM 499 CA TYR A 56 114.095 -9.384 -0.518 1.00 0.00 C ATOM 500 C TYR A 56 114.354 -10.231 0.739 1.00 0.00 C ATOM 501 O TYR A 56 113.434 -10.792 1.306 1.00 0.00 O ATOM 502 CB TYR A 56 114.574 -10.106 -1.798 1.00 0.00 C ATOM 503 CG TYR A 56 114.108 -11.548 -1.791 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.929 -11.928 -2.449 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.857 -12.496 -1.091 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.508 -13.265 -2.397 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.442 -13.823 -1.043 1.00 0.00 C ATOM 508 CZ TYR A 56 113.265 -14.212 -1.695 1.00 0.00 C ATOM 509 OH TYR A 56 112.850 -15.527 -1.644 1.00 0.00 O ATOM 0 H TYR A 56 115.780 -8.154 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 56 113.020 -9.203 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.186 -9.595 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.662 -10.068 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.349 -11.196 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.763 -12.198 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.600 -13.565 -2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 56 115.027 -14.553 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 56 113.489 -16.052 -1.118 1.00 0.00 H new ATOM 519 N HIS A 57 115.589 -10.352 1.165 1.00 0.00 N ATOM 520 CA HIS A 57 115.874 -11.194 2.368 1.00 0.00 C ATOM 521 C HIS A 57 115.108 -10.661 3.592 1.00 0.00 C ATOM 522 O HIS A 57 114.853 -11.384 4.537 1.00 0.00 O ATOM 523 CB HIS A 57 117.404 -11.153 2.553 1.00 0.00 C ATOM 524 CG HIS A 57 117.878 -9.877 3.210 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.784 -9.009 2.587 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.630 -9.335 4.449 1.00 0.00 C ATOM 527 CE1 HIS A 57 119.045 -8.005 3.450 1.00 0.00 C ATOM 528 NE2 HIS A 57 118.367 -8.175 4.575 1.00 0.00 N ATOM 0 H HIS A 57 116.402 -9.910 0.737 1.00 0.00 H new ATOM 0 HA HIS A 57 115.539 -12.224 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.716 -12.005 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.886 -11.257 1.581 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.970 -9.748 5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.712 -7.179 3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 57 118.386 -7.559 5.388 1.00 0.00 H new ATOM 536 N GLY A 58 114.735 -9.403 3.570 1.00 0.00 N ATOM 537 CA GLY A 58 113.979 -8.819 4.716 1.00 0.00 C ATOM 538 C GLY A 58 112.496 -9.168 4.575 1.00 0.00 C ATOM 539 O GLY A 58 111.945 -9.899 5.376 1.00 0.00 O ATOM 0 H GLY A 58 114.924 -8.756 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 58 114.367 -9.206 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 58 114.109 -7.737 4.739 1.00 0.00 H new ATOM 543 N ALA A 59 111.845 -8.653 3.558 1.00 0.00 N ATOM 544 CA ALA A 59 110.390 -8.956 3.360 1.00 0.00 C ATOM 545 C ALA A 59 110.180 -10.466 3.211 1.00 0.00 C ATOM 546 O ALA A 59 109.535 -11.094 4.029 1.00 0.00 O ATOM 547 CB ALA A 59 110.000 -8.234 2.068 1.00 0.00 C ATOM 0 H ALA A 59 112.257 -8.037 2.857 1.00 0.00 H new ATOM 0 HA ALA A 59 109.785 -8.630 4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.945 -8.410 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.174 -7.164 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.603 -8.613 1.243 1.00 0.00 H new ATOM 553 N GLY A 60 110.734 -11.053 2.179 1.00 0.00 N ATOM 554 CA GLY A 60 110.583 -12.525 1.980 1.00 0.00 C ATOM 555 C GLY A 60 109.396 -12.817 1.059 1.00 0.00 C ATOM 556 O GLY A 60 109.024 -12.006 0.231 1.00 0.00 O ATOM 0 H GLY A 60 111.285 -10.575 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.496 -12.936 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.435 -13.016 2.942 1.00 0.00 H new ATOM 719 N THR A 72 100.020 -7.137 -3.865 1.00 0.00 N ATOM 720 CA THR A 72 100.784 -8.325 -4.361 1.00 0.00 C ATOM 721 C THR A 72 102.128 -7.884 -4.949 1.00 0.00 C ATOM 722 O THR A 72 102.258 -6.790 -5.466 1.00 0.00 O ATOM 723 CB THR A 72 99.903 -8.945 -5.447 1.00 0.00 C ATOM 724 OG1 THR A 72 98.556 -8.983 -4.997 1.00 0.00 O ATOM 725 CG2 THR A 72 100.383 -10.365 -5.748 1.00 0.00 C ATOM 0 HA THR A 72 101.003 -9.033 -3.562 1.00 0.00 H new ATOM 0 HB THR A 72 99.967 -8.344 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.434 -8.331 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.754 -10.805 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 72 101.416 -10.334 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 72 100.321 -10.969 -4.843 1.00 0.00 H new ATOM 733 N GLN A 73 103.127 -8.728 -4.870 1.00 0.00 N ATOM 734 CA GLN A 73 104.468 -8.363 -5.423 1.00 0.00 C ATOM 735 C GLN A 73 104.601 -8.842 -6.873 1.00 0.00 C ATOM 736 O GLN A 73 104.004 -9.827 -7.265 1.00 0.00 O ATOM 737 CB GLN A 73 105.489 -9.070 -4.518 1.00 0.00 C ATOM 738 CG GLN A 73 105.274 -10.588 -4.555 1.00 0.00 C ATOM 739 CD GLN A 73 106.536 -11.292 -4.051 1.00 0.00 C ATOM 740 OE1 GLN A 73 107.225 -10.785 -3.188 1.00 0.00 O ATOM 741 NE2 GLN A 73 106.870 -12.448 -4.556 1.00 0.00 N ATOM 0 H GLN A 73 103.072 -9.654 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 73 104.622 -7.284 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 73 106.501 -8.831 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.391 -8.707 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 73 104.420 -10.861 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 73 105.046 -10.910 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 73 106.292 -12.874 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 73 107.709 -12.925 -4.226 1.00 0.00 H new ATOM 750 N MET A 74 105.383 -8.152 -7.665 1.00 0.00 N ATOM 751 CA MET A 74 105.562 -8.563 -9.090 1.00 0.00 C ATOM 752 C MET A 74 107.021 -8.944 -9.355 1.00 0.00 C ATOM 753 O MET A 74 107.306 -9.813 -10.158 1.00 0.00 O ATOM 754 CB MET A 74 105.170 -7.333 -9.912 1.00 0.00 C ATOM 755 CG MET A 74 103.689 -7.013 -9.691 1.00 0.00 C ATOM 756 SD MET A 74 102.666 -8.349 -10.362 1.00 0.00 S ATOM 757 CE MET A 74 103.026 -8.055 -12.110 1.00 0.00 C ATOM 0 H MET A 74 105.905 -7.322 -7.386 1.00 0.00 H new ATOM 0 HA MET A 74 104.957 -9.433 -9.345 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.783 -6.480 -9.622 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.358 -7.516 -10.970 1.00 0.00 H new ATOM 0 HG2 MET A 74 103.489 -6.889 -8.627 1.00 0.00 H new ATOM 0 HG3 MET A 74 103.435 -6.070 -10.175 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.098 -8.080 -12.682 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.498 -7.079 -12.225 1.00 0.00 H new ATOM 0 HE3 MET A 74 103.699 -8.829 -12.478 1.00 0.00 H new ATOM 767 N TYR A 75 107.948 -8.304 -8.684 1.00 0.00 N ATOM 768 CA TYR A 75 109.394 -8.634 -8.897 1.00 0.00 C ATOM 769 C TYR A 75 109.946 -9.335 -7.651 1.00 0.00 C ATOM 770 O TYR A 75 109.783 -8.860 -6.543 1.00 0.00 O ATOM 771 CB TYR A 75 110.108 -7.290 -9.117 1.00 0.00 C ATOM 772 CG TYR A 75 109.413 -6.484 -10.197 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.107 -7.074 -11.431 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.074 -5.147 -9.958 1.00 0.00 C ATOM 775 CE1 TYR A 75 108.463 -6.325 -12.423 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.430 -4.398 -10.950 1.00 0.00 C ATOM 777 CZ TYR A 75 108.124 -4.987 -12.182 1.00 0.00 C ATOM 778 OH TYR A 75 107.489 -4.250 -13.161 1.00 0.00 O ATOM 0 H TYR A 75 107.768 -7.569 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 75 109.541 -9.300 -9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 75 110.122 -6.723 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.146 -7.466 -9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.368 -8.106 -11.616 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.310 -4.693 -9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.227 -6.779 -13.374 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.170 -3.366 -10.765 1.00 0.00 H new ATOM 0 HH TYR A 75 107.324 -3.342 -12.832 1.00 0.00 H new ATOM 788 N THR A 76 110.589 -10.464 -7.822 1.00 0.00 N ATOM 789 CA THR A 76 111.141 -11.202 -6.643 1.00 0.00 C ATOM 790 C THR A 76 112.374 -12.016 -7.050 1.00 0.00 C ATOM 791 O THR A 76 112.358 -12.714 -8.047 1.00 0.00 O ATOM 792 CB THR A 76 110.003 -12.127 -6.207 1.00 0.00 C ATOM 793 OG1 THR A 76 108.853 -11.350 -5.910 1.00 0.00 O ATOM 794 CG2 THR A 76 110.421 -12.914 -4.967 1.00 0.00 C ATOM 0 H THR A 76 110.755 -10.906 -8.726 1.00 0.00 H new ATOM 0 HA THR A 76 111.461 -10.534 -5.844 1.00 0.00 H new ATOM 0 HB THR A 76 109.776 -12.824 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.141 -11.562 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.607 -13.571 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.303 -13.512 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.652 -12.222 -4.157 1.00 0.00 H new ATOM 802 N ASN A 77 113.443 -11.933 -6.290 1.00 0.00 N ATOM 803 CA ASN A 77 114.676 -12.706 -6.647 1.00 0.00 C ATOM 804 C ASN A 77 115.672 -12.730 -5.479 1.00 0.00 C ATOM 805 O ASN A 77 116.068 -11.696 -4.975 1.00 0.00 O ATOM 806 CB ASN A 77 115.269 -11.943 -7.828 1.00 0.00 C ATOM 807 CG ASN A 77 116.500 -12.681 -8.365 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.055 -13.534 -7.701 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.953 -12.384 -9.553 1.00 0.00 N ATOM 0 H ASN A 77 113.514 -11.367 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 77 114.453 -13.747 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.524 -11.841 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.546 -10.935 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.772 -12.868 -9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.488 -11.668 -10.112 1.00 0.00 H new ATOM 816 N VAL A 78 116.091 -13.903 -5.058 1.00 0.00 N ATOM 817 CA VAL A 78 117.078 -13.986 -3.936 1.00 0.00 C ATOM 818 C VAL A 78 118.459 -13.532 -4.430 1.00 0.00 C ATOM 819 O VAL A 78 119.188 -12.863 -3.721 1.00 0.00 O ATOM 820 CB VAL A 78 117.096 -15.465 -3.494 1.00 0.00 C ATOM 821 CG1 VAL A 78 118.213 -15.717 -2.461 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.756 -15.817 -2.848 1.00 0.00 C ATOM 0 H VAL A 78 115.793 -14.800 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 78 116.810 -13.340 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 78 117.275 -16.082 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 78 118.205 -16.766 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 119.179 -15.472 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 118.046 -15.092 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.766 -16.861 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.592 -15.179 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.953 -15.662 -3.568 1.00 0.00 H new ATOM 832 N ASP A 79 118.826 -13.896 -5.636 1.00 0.00 N ATOM 833 CA ASP A 79 120.167 -13.492 -6.174 1.00 0.00 C ATOM 834 C ASP A 79 120.324 -11.969 -6.119 1.00 0.00 C ATOM 835 O ASP A 79 121.347 -11.457 -5.701 1.00 0.00 O ATOM 836 CB ASP A 79 120.182 -13.977 -7.623 1.00 0.00 C ATOM 837 CG ASP A 79 121.583 -13.792 -8.213 1.00 0.00 C ATOM 838 OD1 ASP A 79 122.173 -12.750 -7.977 1.00 0.00 O ATOM 839 OD2 ASP A 79 122.043 -14.696 -8.891 1.00 0.00 O ATOM 0 H ASP A 79 118.256 -14.455 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 79 120.985 -13.919 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.893 -15.027 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.452 -13.420 -8.211 1.00 0.00 H new ATOM 844 N GLN A 80 119.313 -11.251 -6.525 1.00 0.00 N ATOM 845 CA GLN A 80 119.383 -9.762 -6.486 1.00 0.00 C ATOM 846 C GLN A 80 119.034 -9.249 -5.080 1.00 0.00 C ATOM 847 O GLN A 80 119.265 -8.099 -4.758 1.00 0.00 O ATOM 848 CB GLN A 80 118.345 -9.291 -7.506 1.00 0.00 C ATOM 849 CG GLN A 80 118.841 -8.015 -8.190 1.00 0.00 C ATOM 850 CD GLN A 80 119.882 -8.377 -9.252 1.00 0.00 C ATOM 851 OE1 GLN A 80 119.649 -9.238 -10.079 1.00 0.00 O ATOM 852 NE2 GLN A 80 121.028 -7.752 -9.265 1.00 0.00 N ATOM 0 H GLN A 80 118.438 -11.633 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 80 120.380 -9.388 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.170 -10.070 -8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.392 -9.104 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.005 -7.488 -8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.277 -7.341 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 80 121.223 -7.030 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 80 121.728 -7.986 -9.969 1.00 0.00 H new ATOM 861 N ASP A 81 118.470 -10.093 -4.237 1.00 0.00 N ATOM 862 CA ASP A 81 118.095 -9.664 -2.849 1.00 0.00 C ATOM 863 C ASP A 81 117.226 -8.406 -2.889 1.00 0.00 C ATOM 864 O ASP A 81 117.386 -7.510 -2.078 1.00 0.00 O ATOM 865 CB ASP A 81 119.412 -9.351 -2.135 1.00 0.00 C ATOM 866 CG ASP A 81 119.141 -9.158 -0.637 1.00 0.00 C ATOM 867 OD1 ASP A 81 118.174 -9.703 -0.122 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.994 -8.355 0.093 1.00 0.00 O ATOM 0 H ASP A 81 118.254 -11.065 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 81 117.526 -10.442 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.123 -10.163 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.862 -8.451 -2.554 1.00 0.00 H new ATOM 874 N LEU A 82 116.317 -8.323 -3.826 1.00 0.00 N ATOM 875 CA LEU A 82 115.452 -7.111 -3.912 1.00 0.00 C ATOM 876 C LEU A 82 114.048 -7.471 -4.403 1.00 0.00 C ATOM 877 O LEU A 82 113.835 -8.486 -5.047 1.00 0.00 O ATOM 878 CB LEU A 82 116.163 -6.197 -4.911 1.00 0.00 C ATOM 879 CG LEU A 82 117.047 -5.190 -4.153 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.448 -5.159 -4.771 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.423 -3.792 -4.236 1.00 0.00 C ATOM 0 H LEU A 82 116.138 -9.038 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 82 115.317 -6.634 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.773 -6.791 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.430 -5.667 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 82 117.120 -5.495 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 119.069 -4.445 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.896 -6.151 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.378 -4.860 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.051 -3.081 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.345 -3.490 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.429 -3.810 -3.788 1.00 0.00 H new ATOM 893 N VAL A 83 113.092 -6.637 -4.090 1.00 0.00 N ATOM 894 CA VAL A 83 111.679 -6.888 -4.516 1.00 0.00 C ATOM 895 C VAL A 83 111.025 -5.538 -4.818 1.00 0.00 C ATOM 896 O VAL A 83 111.330 -4.547 -4.181 1.00 0.00 O ATOM 897 CB VAL A 83 110.984 -7.583 -3.324 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.690 -8.240 -3.803 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.888 -8.670 -2.736 1.00 0.00 C ATOM 0 H VAL A 83 113.229 -5.782 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 83 111.610 -7.511 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 83 110.774 -6.833 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 83 109.199 -8.731 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 83 109.028 -7.480 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.920 -8.979 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.383 -9.149 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.107 -9.415 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.819 -8.221 -2.390 1.00 0.00 H new ATOM 909 N GLY A 84 110.150 -5.478 -5.790 1.00 0.00 N ATOM 910 CA GLY A 84 109.512 -4.170 -6.130 1.00 0.00 C ATOM 911 C GLY A 84 107.994 -4.311 -6.220 1.00 0.00 C ATOM 912 O GLY A 84 107.468 -5.375 -6.489 1.00 0.00 O ATOM 0 H GLY A 84 109.852 -6.271 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.768 -3.428 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.904 -3.805 -7.079 1.00 0.00 H new ATOM 916 N TRP A 85 107.292 -3.228 -6.001 1.00 0.00 N ATOM 917 CA TRP A 85 105.800 -3.256 -6.072 1.00 0.00 C ATOM 918 C TRP A 85 105.317 -2.192 -7.062 1.00 0.00 C ATOM 919 O TRP A 85 106.027 -1.249 -7.363 1.00 0.00 O ATOM 920 CB TRP A 85 105.304 -2.908 -4.662 1.00 0.00 C ATOM 921 CG TRP A 85 105.922 -3.814 -3.640 1.00 0.00 C ATOM 922 CD1 TRP A 85 105.758 -5.155 -3.584 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.795 -3.461 -2.529 1.00 0.00 C ATOM 924 NE1 TRP A 85 106.473 -5.648 -2.506 1.00 0.00 N ATOM 925 CE2 TRP A 85 107.130 -4.641 -1.825 1.00 0.00 C ATOM 926 CE3 TRP A 85 107.321 -2.242 -2.067 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.958 -4.613 -0.703 1.00 0.00 C ATOM 928 CZ3 TRP A 85 108.156 -2.209 -0.938 1.00 0.00 C ATOM 929 CH2 TRP A 85 108.473 -3.393 -0.257 1.00 0.00 C ATOM 0 H TRP A 85 107.693 -2.318 -5.774 1.00 0.00 H new ATOM 0 HA TRP A 85 105.428 -4.226 -6.402 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.550 -1.871 -4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 85 104.218 -2.995 -4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 85 105.166 -5.745 -4.268 1.00 0.00 H new ATOM 0 HE1 TRP A 85 106.510 -6.634 -2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 85 107.081 -1.324 -2.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 108.199 -5.528 -0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.556 -1.267 -0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 85 109.115 -3.362 0.611 1.00 0.00 H new ATOM 940 N GLN A 86 104.112 -2.326 -7.557 1.00 0.00 N ATOM 941 CA GLN A 86 103.577 -1.315 -8.517 1.00 0.00 C ATOM 942 C GLN A 86 103.005 -0.119 -7.749 1.00 0.00 C ATOM 943 O GLN A 86 102.132 -0.268 -6.915 1.00 0.00 O ATOM 944 CB GLN A 86 102.470 -2.039 -9.285 1.00 0.00 C ATOM 945 CG GLN A 86 103.085 -2.822 -10.446 1.00 0.00 C ATOM 946 CD GLN A 86 103.666 -1.845 -11.469 1.00 0.00 C ATOM 947 OE1 GLN A 86 104.840 -1.898 -11.778 1.00 0.00 O ATOM 948 NE2 GLN A 86 102.888 -0.950 -12.013 1.00 0.00 N ATOM 0 H GLN A 86 103.476 -3.093 -7.337 1.00 0.00 H new ATOM 0 HA GLN A 86 104.347 -0.930 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.933 -2.715 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.743 -1.319 -9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.867 -3.486 -10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.328 -3.450 -10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 86 101.903 -0.906 -11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 86 103.265 -0.295 -12.698 1.00 0.00 H new ATOM 957 N ALA A 87 103.497 1.065 -8.020 1.00 0.00 N ATOM 958 CA ALA A 87 102.991 2.274 -7.304 1.00 0.00 C ATOM 959 C ALA A 87 102.004 3.052 -8.190 1.00 0.00 C ATOM 960 O ALA A 87 101.997 2.881 -9.393 1.00 0.00 O ATOM 961 CB ALA A 87 104.235 3.115 -7.020 1.00 0.00 C ATOM 0 H ALA A 87 104.228 1.245 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 87 102.455 2.015 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.947 4.025 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.928 2.543 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.719 3.378 -7.961 1.00 0.00 H new ATOM 967 N PRO A 88 101.197 3.889 -7.570 1.00 0.00 N ATOM 968 CA PRO A 88 100.209 4.689 -8.336 1.00 0.00 C ATOM 969 C PRO A 88 100.917 5.789 -9.144 1.00 0.00 C ATOM 970 O PRO A 88 102.039 6.144 -8.839 1.00 0.00 O ATOM 971 CB PRO A 88 99.319 5.299 -7.255 1.00 0.00 C ATOM 972 CG PRO A 88 100.171 5.332 -6.028 1.00 0.00 C ATOM 973 CD PRO A 88 101.125 4.170 -6.124 1.00 0.00 C ATOM 0 HA PRO A 88 99.648 4.095 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.989 6.300 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.422 4.700 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.716 6.274 -5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 88 99.558 5.255 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.104 4.422 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.761 3.307 -5.567 1.00 0.00 H new ATOM 981 N PRO A 89 100.245 6.297 -10.156 1.00 0.00 N ATOM 982 CA PRO A 89 100.848 7.363 -10.996 1.00 0.00 C ATOM 983 C PRO A 89 100.872 8.694 -10.239 1.00 0.00 C ATOM 984 O PRO A 89 100.126 8.897 -9.299 1.00 0.00 O ATOM 985 CB PRO A 89 99.916 7.440 -12.202 1.00 0.00 C ATOM 986 CG PRO A 89 98.601 6.918 -11.716 1.00 0.00 C ATOM 987 CD PRO A 89 98.890 5.943 -10.610 1.00 0.00 C ATOM 0 HA PRO A 89 101.881 7.155 -11.274 1.00 0.00 H new ATOM 0 HB2 PRO A 89 99.824 8.464 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.295 6.842 -13.031 1.00 0.00 H new ATOM 0 HG2 PRO A 89 97.973 7.733 -11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.058 6.431 -12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.164 6.032 -9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 89 98.846 4.914 -10.966 1.00 0.00 H new ATOM 995 N GLY A 90 101.726 9.601 -10.645 1.00 0.00 N ATOM 996 CA GLY A 90 101.806 10.923 -9.959 1.00 0.00 C ATOM 997 C GLY A 90 102.504 10.760 -8.608 1.00 0.00 C ATOM 998 O GLY A 90 102.221 11.474 -7.664 1.00 0.00 O ATOM 0 H GLY A 90 102.372 9.480 -11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 90 102.353 11.633 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.805 11.331 -9.816 1.00 0.00 H new ATOM 1002 N ALA A 91 103.416 9.825 -8.508 1.00 0.00 N ATOM 1003 CA ALA A 91 104.136 9.607 -7.217 1.00 0.00 C ATOM 1004 C ALA A 91 105.579 10.112 -7.321 1.00 0.00 C ATOM 1005 O ALA A 91 106.167 10.124 -8.385 1.00 0.00 O ATOM 1006 CB ALA A 91 104.111 8.094 -7.001 1.00 0.00 C ATOM 0 H ALA A 91 103.693 9.202 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 91 103.672 10.145 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.622 7.851 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.078 7.751 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.615 7.600 -7.831 1.00 0.00 H new ATOM 1012 N ARG A 92 106.148 10.530 -6.218 1.00 0.00 N ATOM 1013 CA ARG A 92 107.554 11.040 -6.239 1.00 0.00 C ATOM 1014 C ARG A 92 108.514 9.946 -6.723 1.00 0.00 C ATOM 1015 O ARG A 92 108.256 8.768 -6.563 1.00 0.00 O ATOM 1016 CB ARG A 92 107.865 11.441 -4.790 1.00 0.00 C ATOM 1017 CG ARG A 92 107.753 10.223 -3.864 1.00 0.00 C ATOM 1018 CD ARG A 92 107.594 10.697 -2.417 1.00 0.00 C ATOM 1019 NE ARG A 92 107.733 9.466 -1.577 1.00 0.00 N ATOM 1020 CZ ARG A 92 107.448 9.480 -0.289 1.00 0.00 C ATOM 1021 NH1 ARG A 92 106.845 10.506 0.268 1.00 0.00 N ATOM 1022 NH2 ARG A 92 107.767 8.452 0.447 1.00 0.00 N ATOM 0 H ARG A 92 105.699 10.540 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 92 107.672 11.882 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.869 11.861 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 92 107.174 12.218 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 92 106.900 9.610 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 92 108.641 9.598 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 92 108.353 11.436 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 92 106.624 11.170 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 92 108.054 8.600 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 92 106.587 11.315 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 92 106.635 10.494 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 92 108.232 7.648 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 92 107.551 8.452 1.444 1.00 0.00 H new ATOM 1036 N SER A 93 109.615 10.333 -7.317 1.00 0.00 N ATOM 1037 CA SER A 93 110.597 9.325 -7.820 1.00 0.00 C ATOM 1038 C SER A 93 112.024 9.878 -7.734 1.00 0.00 C ATOM 1039 O SER A 93 112.235 11.076 -7.742 1.00 0.00 O ATOM 1040 CB SER A 93 110.203 9.089 -9.277 1.00 0.00 C ATOM 1041 OG SER A 93 110.446 10.273 -10.026 1.00 0.00 O ATOM 0 H SER A 93 109.876 11.306 -7.475 1.00 0.00 H new ATOM 0 HA SER A 93 110.580 8.406 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.776 8.259 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 93 109.150 8.814 -9.341 1.00 0.00 H new ATOM 0 HG SER A 93 110.196 10.125 -10.962 1.00 0.00 H new ATOM 1047 N LEU A 94 113.002 9.010 -7.655 1.00 0.00 N ATOM 1048 CA LEU A 94 114.420 9.474 -7.572 1.00 0.00 C ATOM 1049 C LEU A 94 115.172 9.123 -8.860 1.00 0.00 C ATOM 1050 O LEU A 94 115.109 8.006 -9.338 1.00 0.00 O ATOM 1051 CB LEU A 94 115.017 8.718 -6.384 1.00 0.00 C ATOM 1052 CG LEU A 94 114.389 9.223 -5.085 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.877 8.366 -3.915 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.797 10.680 -4.855 1.00 0.00 C ATOM 0 H LEU A 94 112.878 7.998 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 94 114.491 10.555 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.838 7.648 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 94 116.097 8.859 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 94 113.303 9.156 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 94 114.429 8.726 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.587 7.328 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.963 8.433 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.350 11.041 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.883 10.747 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.450 11.291 -5.688 1.00 0.00 H new ATOM 1066 N THR A 95 115.883 10.069 -9.419 1.00 0.00 N ATOM 1067 CA THR A 95 116.647 9.797 -10.677 1.00 0.00 C ATOM 1068 C THR A 95 117.919 8.995 -10.359 1.00 0.00 C ATOM 1069 O THR A 95 118.367 8.986 -9.230 1.00 0.00 O ATOM 1070 CB THR A 95 117.011 11.173 -11.247 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.871 11.854 -10.339 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.739 11.996 -11.480 1.00 0.00 C ATOM 0 H THR A 95 115.968 11.020 -9.059 1.00 0.00 H new ATOM 0 HA THR A 95 116.064 9.211 -11.387 1.00 0.00 H new ATOM 0 HB THR A 95 117.525 11.042 -12.199 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.528 12.758 -10.179 1.00 0.00 H new ATOM 0 HG21 THR A 95 116.006 12.972 -11.885 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.093 11.475 -12.186 1.00 0.00 H new ATOM 0 HG23 THR A 95 115.212 12.127 -10.535 1.00 0.00 H new ATOM 1080 N PRO A 96 118.467 8.340 -11.361 1.00 0.00 N ATOM 1081 CA PRO A 96 119.699 7.538 -11.150 1.00 0.00 C ATOM 1082 C PRO A 96 120.907 8.456 -10.943 1.00 0.00 C ATOM 1083 O PRO A 96 120.888 9.613 -11.320 1.00 0.00 O ATOM 1084 CB PRO A 96 119.837 6.737 -12.441 1.00 0.00 C ATOM 1085 CG PRO A 96 119.113 7.540 -13.474 1.00 0.00 C ATOM 1086 CD PRO A 96 118.013 8.282 -12.761 1.00 0.00 C ATOM 0 HA PRO A 96 119.647 6.902 -10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.884 6.600 -12.710 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.402 5.743 -12.337 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.791 8.236 -13.967 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.703 6.892 -14.249 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.872 9.280 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.059 7.762 -12.849 1.00 0.00 H new ATOM 1094 N CYS A 97 121.955 7.947 -10.345 1.00 0.00 N ATOM 1095 CA CYS A 97 123.169 8.785 -10.109 1.00 0.00 C ATOM 1096 C CYS A 97 124.095 8.738 -11.328 1.00 0.00 C ATOM 1097 O CYS A 97 124.449 7.678 -11.808 1.00 0.00 O ATOM 1098 CB CYS A 97 123.854 8.160 -8.893 1.00 0.00 C ATOM 1099 SG CYS A 97 125.267 9.182 -8.406 1.00 0.00 S ATOM 0 H CYS A 97 122.022 6.986 -10.010 1.00 0.00 H new ATOM 0 HA CYS A 97 122.918 9.833 -9.943 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.148 8.079 -8.066 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.187 7.149 -9.129 1.00 0.00 H new ATOM 0 HG CYS A 97 124.861 10.141 -7.628 1.00 0.00 H new ATOM 1104 N THR A 98 124.488 9.882 -11.827 1.00 0.00 N ATOM 1105 CA THR A 98 125.394 9.920 -13.012 1.00 0.00 C ATOM 1106 C THR A 98 126.529 10.918 -12.771 1.00 0.00 C ATOM 1107 O THR A 98 126.739 11.833 -13.546 1.00 0.00 O ATOM 1108 CB THR A 98 124.508 10.379 -14.173 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.794 11.546 -13.787 1.00 0.00 O ATOM 1110 CG2 THR A 98 123.520 9.269 -14.533 1.00 0.00 C ATOM 0 H THR A 98 124.218 10.795 -11.462 1.00 0.00 H new ATOM 0 HA THR A 98 125.857 8.954 -13.213 1.00 0.00 H new ATOM 0 HB THR A 98 125.130 10.603 -15.040 1.00 0.00 H new ATOM 0 HG1 THR A 98 123.227 11.843 -14.529 1.00 0.00 H new ATOM 0 HG21 THR A 98 122.890 9.597 -15.360 1.00 0.00 H new ATOM 0 HG22 THR A 98 124.069 8.375 -14.828 1.00 0.00 H new ATOM 0 HG23 THR A 98 122.896 9.043 -13.668 1.00 0.00 H new ATOM 1118 N CYS A 99 127.254 10.755 -11.693 1.00 0.00 N ATOM 1119 CA CYS A 99 128.372 11.703 -11.387 1.00 0.00 C ATOM 1120 C CYS A 99 129.559 10.991 -10.710 1.00 0.00 C ATOM 1121 O CYS A 99 130.495 11.634 -10.274 1.00 0.00 O ATOM 1122 CB CYS A 99 127.760 12.744 -10.439 1.00 0.00 C ATOM 1123 SG CYS A 99 127.118 11.935 -8.943 1.00 0.00 S ATOM 0 H CYS A 99 127.121 10.008 -11.011 1.00 0.00 H new ATOM 0 HA CYS A 99 128.772 12.149 -12.298 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.512 13.484 -10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.956 13.279 -10.945 1.00 0.00 H new ATOM 0 HG CYS A 99 126.443 10.876 -9.278 1.00 0.00 H new ATOM 1128 N GLY A 100 129.539 9.678 -10.622 1.00 0.00 N ATOM 1129 CA GLY A 100 130.675 8.942 -9.977 1.00 0.00 C ATOM 1130 C GLY A 100 130.967 9.518 -8.585 1.00 0.00 C ATOM 1131 O GLY A 100 132.110 9.688 -8.203 1.00 0.00 O ATOM 0 H GLY A 100 128.784 9.086 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.430 7.883 -9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.565 9.016 -10.602 1.00 0.00 H new ATOM 1135 N SER A 101 129.940 9.822 -7.830 1.00 0.00 N ATOM 1136 CA SER A 101 130.153 10.393 -6.464 1.00 0.00 C ATOM 1137 C SER A 101 130.515 9.284 -5.473 1.00 0.00 C ATOM 1138 O SER A 101 129.681 8.481 -5.096 1.00 0.00 O ATOM 1139 CB SER A 101 128.819 11.035 -6.088 1.00 0.00 C ATOM 1140 OG SER A 101 128.785 12.369 -6.576 1.00 0.00 O ATOM 0 H SER A 101 128.964 9.700 -8.100 1.00 0.00 H new ATOM 0 HA SER A 101 130.971 11.113 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 101 127.994 10.460 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.692 11.028 -5.005 1.00 0.00 H new ATOM 0 HG SER A 101 128.093 12.448 -7.265 1.00 0.00 H new ATOM 1146 N SER A 102 131.752 9.237 -5.049 1.00 0.00 N ATOM 1147 CA SER A 102 132.179 8.183 -4.077 1.00 0.00 C ATOM 1148 C SER A 102 131.480 8.391 -2.731 1.00 0.00 C ATOM 1149 O SER A 102 131.065 7.447 -2.086 1.00 0.00 O ATOM 1150 CB SER A 102 133.691 8.359 -3.928 1.00 0.00 C ATOM 1151 OG SER A 102 134.317 8.110 -5.179 1.00 0.00 O ATOM 0 H SER A 102 132.487 9.884 -5.334 1.00 0.00 H new ATOM 0 HA SER A 102 131.920 7.181 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 102 133.920 9.369 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.076 7.674 -3.173 1.00 0.00 H new ATOM 0 HG SER A 102 135.286 8.223 -5.088 1.00 0.00 H new ATOM 1157 N ASP A 103 131.349 9.623 -2.306 1.00 0.00 N ATOM 1158 CA ASP A 103 130.676 9.903 -0.999 1.00 0.00 C ATOM 1159 C ASP A 103 129.186 9.561 -1.094 1.00 0.00 C ATOM 1160 O ASP A 103 128.501 9.989 -2.004 1.00 0.00 O ATOM 1161 CB ASP A 103 130.869 11.402 -0.756 1.00 0.00 C ATOM 1162 CG ASP A 103 130.466 11.743 0.679 1.00 0.00 C ATOM 1163 OD1 ASP A 103 129.860 12.783 0.873 1.00 0.00 O ATOM 1164 OD2 ASP A 103 130.772 10.957 1.561 1.00 0.00 O ATOM 0 H ASP A 103 131.679 10.448 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 103 131.092 9.308 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.909 11.678 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.266 11.976 -1.460 1.00 0.00 H new ATOM 1169 N LEU A 104 128.685 8.790 -0.162 1.00 0.00 N ATOM 1170 CA LEU A 104 127.240 8.411 -0.193 1.00 0.00 C ATOM 1171 C LEU A 104 126.622 8.553 1.201 1.00 0.00 C ATOM 1172 O LEU A 104 127.289 8.388 2.205 1.00 0.00 O ATOM 1173 CB LEU A 104 127.224 6.947 -0.636 1.00 0.00 C ATOM 1174 CG LEU A 104 127.828 6.824 -2.036 1.00 0.00 C ATOM 1175 CD1 LEU A 104 127.969 5.345 -2.403 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.912 7.514 -3.049 1.00 0.00 C ATOM 0 H LEU A 104 129.215 8.406 0.620 1.00 0.00 H new ATOM 0 HA LEU A 104 126.663 9.049 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 104 127.789 6.338 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.202 6.568 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 104 128.810 7.298 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.399 5.257 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.621 4.852 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 104 126.987 4.871 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.342 7.427 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 104 125.931 7.040 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.810 8.568 -2.789 1.00 0.00 H new ATOM 1188 N TYR A 105 125.350 8.851 1.266 1.00 0.00 N ATOM 1189 CA TYR A 105 124.673 8.998 2.589 1.00 0.00 C ATOM 1190 C TYR A 105 123.573 7.942 2.728 1.00 0.00 C ATOM 1191 O TYR A 105 122.702 7.831 1.887 1.00 0.00 O ATOM 1192 CB TYR A 105 124.071 10.404 2.572 1.00 0.00 C ATOM 1193 CG TYR A 105 125.176 11.424 2.710 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.548 11.885 3.979 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.832 11.906 1.571 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.573 12.828 4.109 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.857 12.850 1.700 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.228 13.311 2.969 1.00 0.00 C ATOM 1199 OH TYR A 105 128.240 14.241 3.098 1.00 0.00 O ATOM 0 H TYR A 105 124.749 8.999 0.456 1.00 0.00 H new ATOM 0 HA TYR A 105 125.357 8.862 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.525 10.567 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.355 10.515 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.043 11.512 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.547 11.549 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.859 13.183 5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.362 13.223 0.821 1.00 0.00 H new ATOM 0 HH TYR A 105 128.968 14.020 2.481 1.00 0.00 H new ATOM 1209 N LEU A 106 123.614 7.161 3.777 1.00 0.00 N ATOM 1210 CA LEU A 106 122.579 6.101 3.969 1.00 0.00 C ATOM 1211 C LEU A 106 121.545 6.541 5.011 1.00 0.00 C ATOM 1212 O LEU A 106 121.868 7.200 5.981 1.00 0.00 O ATOM 1213 CB LEU A 106 123.356 4.879 4.463 1.00 0.00 C ATOM 1214 CG LEU A 106 122.400 3.698 4.651 1.00 0.00 C ATOM 1215 CD1 LEU A 106 121.985 3.149 3.285 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.104 2.597 5.447 1.00 0.00 C ATOM 0 H LEU A 106 124.321 7.212 4.510 1.00 0.00 H new ATOM 0 HA LEU A 106 122.027 5.893 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.135 4.618 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.854 5.109 5.405 1.00 0.00 H new ATOM 0 HG LEU A 106 121.514 4.033 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 106 121.305 2.309 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 106 121.485 3.932 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 106 122.870 2.815 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 106 122.425 1.755 5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.990 2.266 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 106 123.399 2.985 6.422 1.00 0.00 H new ATOM 1228 N VAL A 107 120.303 6.174 4.813 1.00 0.00 N ATOM 1229 CA VAL A 107 119.235 6.559 5.786 1.00 0.00 C ATOM 1230 C VAL A 107 118.827 5.337 6.617 1.00 0.00 C ATOM 1231 O VAL A 107 118.491 4.297 6.082 1.00 0.00 O ATOM 1232 CB VAL A 107 118.064 7.044 4.924 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.900 7.469 5.825 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.511 8.242 4.079 1.00 0.00 C ATOM 0 H VAL A 107 119.982 5.623 4.017 1.00 0.00 H new ATOM 0 HA VAL A 107 119.564 7.328 6.485 1.00 0.00 H new ATOM 0 HB VAL A 107 117.741 6.234 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.070 7.813 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.577 6.620 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.224 8.277 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.678 8.586 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.836 9.049 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.337 7.944 3.433 1.00 0.00 H new ATOM 1244 N THR A 108 118.858 5.457 7.921 1.00 0.00 N ATOM 1245 CA THR A 108 118.478 4.305 8.795 1.00 0.00 C ATOM 1246 C THR A 108 116.999 4.388 9.182 1.00 0.00 C ATOM 1247 O THR A 108 116.310 5.332 8.842 1.00 0.00 O ATOM 1248 CB THR A 108 119.364 4.434 10.036 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.113 5.681 10.666 1.00 0.00 O ATOM 1250 CG2 THR A 108 120.837 4.351 9.631 1.00 0.00 C ATOM 0 H THR A 108 119.131 6.305 8.419 1.00 0.00 H new ATOM 0 HA THR A 108 118.618 3.349 8.291 1.00 0.00 H new ATOM 0 HB THR A 108 119.137 3.623 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.139 5.567 11.639 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.464 4.443 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.028 3.392 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.069 5.158 8.937 1.00 0.00 H new ATOM 1258 N ARG A 109 116.510 3.402 9.891 1.00 0.00 N ATOM 1259 CA ARG A 109 115.073 3.407 10.308 1.00 0.00 C ATOM 1260 C ARG A 109 114.763 4.636 11.174 1.00 0.00 C ATOM 1261 O ARG A 109 113.632 5.076 11.253 1.00 0.00 O ATOM 1262 CB ARG A 109 114.878 2.115 11.113 1.00 0.00 C ATOM 1263 CG ARG A 109 115.813 2.104 12.328 1.00 0.00 C ATOM 1264 CD ARG A 109 115.449 0.933 13.243 1.00 0.00 C ATOM 1265 NE ARG A 109 116.467 0.971 14.339 1.00 0.00 N ATOM 1266 CZ ARG A 109 116.321 1.763 15.381 1.00 0.00 C ATOM 1267 NH1 ARG A 109 115.392 2.691 15.413 1.00 0.00 N ATOM 1268 NH2 ARG A 109 117.119 1.625 16.404 1.00 0.00 N ATOM 0 H ARG A 109 117.045 2.591 10.200 1.00 0.00 H new ATOM 0 HA ARG A 109 114.404 3.454 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 109 113.842 2.035 11.441 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.080 1.250 10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.849 2.016 12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 109 115.729 3.044 12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.439 1.039 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 109 115.483 -0.014 12.705 1.00 0.00 H new ATOM 0 HE ARG A 109 117.290 0.372 14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 109 114.763 2.811 14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 109 115.299 3.292 16.232 1.00 0.00 H new ATOM 0 HH21 ARG A 109 117.846 0.910 16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 109 117.016 2.232 17.217 1.00 0.00 H new ATOM 1282 N HIS A 110 115.759 5.187 11.825 1.00 0.00 N ATOM 1283 CA HIS A 110 115.522 6.383 12.689 1.00 0.00 C ATOM 1284 C HIS A 110 115.821 7.672 11.917 1.00 0.00 C ATOM 1285 O HIS A 110 116.168 8.685 12.494 1.00 0.00 O ATOM 1286 CB HIS A 110 116.494 6.223 13.860 1.00 0.00 C ATOM 1287 CG HIS A 110 115.961 6.963 15.056 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.773 7.745 15.863 1.00 0.00 N ATOM 1289 CD2 HIS A 110 114.701 7.051 15.595 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.000 8.265 16.834 1.00 0.00 C ATOM 1291 NE2 HIS A 110 114.728 7.873 16.718 1.00 0.00 N ATOM 0 H HIS A 110 116.725 4.860 11.795 1.00 0.00 H new ATOM 0 HA HIS A 110 114.486 6.450 13.021 1.00 0.00 H new ATOM 0 HB2 HIS A 110 116.622 5.167 14.099 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.476 6.609 13.587 1.00 0.00 H new ATOM 0 HD2 HIS A 110 113.822 6.557 15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.364 8.920 17.612 1.00 0.00 H new ATOM 0 HE2 HIS A 110 113.945 8.122 17.322 1.00 0.00 H new ATOM 1299 N ALA A 111 115.686 7.643 10.611 1.00 0.00 N ATOM 1300 CA ALA A 111 115.955 8.864 9.781 1.00 0.00 C ATOM 1301 C ALA A 111 117.346 9.435 10.082 1.00 0.00 C ATOM 1302 O ALA A 111 117.582 10.620 9.937 1.00 0.00 O ATOM 1303 CB ALA A 111 114.866 9.869 10.167 1.00 0.00 C ATOM 0 H ALA A 111 115.399 6.820 10.080 1.00 0.00 H new ATOM 0 HA ALA A 111 115.937 8.635 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.001 10.788 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 111 113.886 9.446 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 111 114.935 10.089 11.232 1.00 0.00 H new ATOM 1309 N ASP A 112 118.265 8.599 10.497 1.00 0.00 N ATOM 1310 CA ASP A 112 119.642 9.088 10.805 1.00 0.00 C ATOM 1311 C ASP A 112 120.445 9.233 9.511 1.00 0.00 C ATOM 1312 O ASP A 112 120.192 8.550 8.536 1.00 0.00 O ATOM 1313 CB ASP A 112 120.259 8.013 11.702 1.00 0.00 C ATOM 1314 CG ASP A 112 121.371 8.632 12.550 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.349 9.079 11.973 1.00 0.00 O ATOM 1316 OD2 ASP A 112 121.227 8.648 13.761 1.00 0.00 O ATOM 0 H ASP A 112 118.120 7.599 10.636 1.00 0.00 H new ATOM 0 HA ASP A 112 119.636 10.064 11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.494 7.579 12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.660 7.203 11.093 1.00 0.00 H new ATOM 1321 N VAL A 113 121.408 10.119 9.495 1.00 0.00 N ATOM 1322 CA VAL A 113 122.230 10.315 8.263 1.00 0.00 C ATOM 1323 C VAL A 113 123.687 9.932 8.541 1.00 0.00 C ATOM 1324 O VAL A 113 124.289 10.398 9.490 1.00 0.00 O ATOM 1325 CB VAL A 113 122.114 11.809 7.939 1.00 0.00 C ATOM 1326 CG1 VAL A 113 122.927 12.130 6.681 1.00 0.00 C ATOM 1327 CG2 VAL A 113 120.646 12.167 7.695 1.00 0.00 C ATOM 0 H VAL A 113 121.661 10.716 10.283 1.00 0.00 H new ATOM 0 HA VAL A 113 121.890 9.695 7.433 1.00 0.00 H new ATOM 0 HB VAL A 113 122.499 12.388 8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.842 13.193 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 113 123.974 11.878 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 113 122.545 11.548 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 113 120.564 13.229 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 113 120.264 11.584 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 113 120.064 11.944 8.589 1.00 0.00 H new ATOM 1337 N ILE A 114 124.256 9.087 7.718 1.00 0.00 N ATOM 1338 CA ILE A 114 125.674 8.669 7.927 1.00 0.00 C ATOM 1339 C ILE A 114 126.444 8.713 6.592 1.00 0.00 C ATOM 1340 O ILE A 114 125.914 8.326 5.570 1.00 0.00 O ATOM 1341 CB ILE A 114 125.600 7.235 8.465 1.00 0.00 C ATOM 1342 CG1 ILE A 114 124.852 6.335 7.471 1.00 0.00 C ATOM 1343 CG2 ILE A 114 124.861 7.237 9.805 1.00 0.00 C ATOM 1344 CD1 ILE A 114 124.892 4.885 7.958 1.00 0.00 C ATOM 0 H ILE A 114 123.797 8.668 6.909 1.00 0.00 H new ATOM 0 HA ILE A 114 126.199 9.329 8.617 1.00 0.00 H new ATOM 0 HB ILE A 114 126.611 6.851 8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 114 123.819 6.667 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 114 125.308 6.410 6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 114 124.806 6.219 10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 114 125.397 7.866 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 114 123.853 7.627 9.664 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.360 4.249 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 114 125.928 4.555 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 114 124.416 4.816 8.936 1.00 0.00 H new ATOM 1356 N PRO A 115 127.674 9.189 6.632 1.00 0.00 N ATOM 1357 CA PRO A 115 128.483 9.271 5.397 1.00 0.00 C ATOM 1358 C PRO A 115 129.142 7.921 5.096 1.00 0.00 C ATOM 1359 O PRO A 115 129.508 7.185 5.992 1.00 0.00 O ATOM 1360 CB PRO A 115 129.536 10.321 5.728 1.00 0.00 C ATOM 1361 CG PRO A 115 129.669 10.305 7.222 1.00 0.00 C ATOM 1362 CD PRO A 115 128.415 9.693 7.800 1.00 0.00 C ATOM 0 HA PRO A 115 127.893 9.525 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.486 10.088 5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.233 11.306 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.545 9.729 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 115 129.808 11.317 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.651 8.889 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 115 127.832 10.431 8.351 1.00 0.00 H new ATOM 1370 N VAL A 116 129.297 7.598 3.837 1.00 0.00 N ATOM 1371 CA VAL A 116 129.934 6.302 3.461 1.00 0.00 C ATOM 1372 C VAL A 116 130.874 6.513 2.268 1.00 0.00 C ATOM 1373 O VAL A 116 130.499 7.098 1.271 1.00 0.00 O ATOM 1374 CB VAL A 116 128.772 5.379 3.080 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.314 4.003 2.680 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.830 5.219 4.277 1.00 0.00 C ATOM 0 H VAL A 116 129.008 8.180 3.051 1.00 0.00 H new ATOM 0 HA VAL A 116 130.531 5.881 4.270 1.00 0.00 H new ATOM 0 HB VAL A 116 128.230 5.815 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.484 3.350 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 116 129.984 4.110 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.859 3.569 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.004 4.562 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.377 4.786 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.438 6.195 4.565 1.00 0.00 H new ATOM 1386 N ARG A 117 132.090 6.039 2.367 1.00 0.00 N ATOM 1387 CA ARG A 117 133.059 6.211 1.243 1.00 0.00 C ATOM 1388 C ARG A 117 133.015 4.993 0.318 1.00 0.00 C ATOM 1389 O ARG A 117 133.082 3.863 0.765 1.00 0.00 O ATOM 1390 CB ARG A 117 134.429 6.328 1.912 1.00 0.00 C ATOM 1391 CG ARG A 117 135.473 6.731 0.868 1.00 0.00 C ATOM 1392 CD ARG A 117 135.450 8.250 0.682 1.00 0.00 C ATOM 1393 NE ARG A 117 136.307 8.787 1.782 1.00 0.00 N ATOM 1394 CZ ARG A 117 136.155 10.016 2.232 1.00 0.00 C ATOM 1395 NH1 ARG A 117 135.389 10.883 1.610 1.00 0.00 N ATOM 1396 NH2 ARG A 117 136.781 10.381 3.317 1.00 0.00 N ATOM 0 H ARG A 117 132.454 5.540 3.179 1.00 0.00 H new ATOM 0 HA ARG A 117 132.830 7.084 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.393 7.068 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.705 5.378 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.464 6.408 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.265 6.235 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.839 8.534 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.434 8.640 0.747 1.00 0.00 H new ATOM 0 HE ARG A 117 137.025 8.190 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 117 134.896 10.610 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 117 135.287 11.829 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 117 137.381 9.717 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 117 136.671 11.330 3.675 1.00 0.00 H new ATOM 1410 N ARG A 118 132.902 5.217 -0.967 1.00 0.00 N ATOM 1411 CA ARG A 118 132.850 4.074 -1.928 1.00 0.00 C ATOM 1412 C ARG A 118 134.260 3.546 -2.203 1.00 0.00 C ATOM 1413 O ARG A 118 135.124 4.268 -2.664 1.00 0.00 O ATOM 1414 CB ARG A 118 132.241 4.651 -3.206 1.00 0.00 C ATOM 1415 CG ARG A 118 132.039 3.525 -4.222 1.00 0.00 C ATOM 1416 CD ARG A 118 132.041 4.106 -5.639 1.00 0.00 C ATOM 1417 NE ARG A 118 130.816 4.958 -5.711 1.00 0.00 N ATOM 1418 CZ ARG A 118 130.228 5.215 -6.861 1.00 0.00 C ATOM 1419 NH1 ARG A 118 130.793 4.903 -8.005 1.00 0.00 N ATOM 1420 NH2 ARG A 118 129.057 5.793 -6.866 1.00 0.00 N ATOM 0 H ARG A 118 132.844 6.142 -1.392 1.00 0.00 H new ATOM 0 HA ARG A 118 132.267 3.240 -1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.288 5.131 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 118 132.896 5.418 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 118 132.832 2.784 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.097 3.012 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 118 132.941 4.693 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.016 3.316 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 118 130.427 5.348 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 118 131.707 4.451 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 118 130.317 5.112 -8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 118 128.607 6.041 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 118 128.593 5.997 -7.751 1.00 0.00 H new ATOM 1434 N ARG A 119 134.495 2.288 -1.926 1.00 0.00 N ATOM 1435 CA ARG A 119 135.844 1.698 -2.170 1.00 0.00 C ATOM 1436 C ARG A 119 135.748 0.524 -3.176 1.00 0.00 C ATOM 1437 O ARG A 119 136.752 0.054 -3.677 1.00 0.00 O ATOM 1438 CB ARG A 119 136.349 1.285 -0.758 1.00 0.00 C ATOM 1439 CG ARG A 119 136.444 -0.241 -0.574 1.00 0.00 C ATOM 1440 CD ARG A 119 135.039 -0.842 -0.542 1.00 0.00 C ATOM 1441 NE ARG A 119 135.190 -2.217 -1.112 1.00 0.00 N ATOM 1442 CZ ARG A 119 135.829 -3.166 -0.456 1.00 0.00 C ATOM 1443 NH1 ARG A 119 136.186 -3.011 0.798 1.00 0.00 N ATOM 1444 NH2 ARG A 119 136.111 -4.284 -1.067 1.00 0.00 N ATOM 0 H ARG A 119 133.806 1.642 -1.540 1.00 0.00 H new ATOM 0 HA ARG A 119 136.549 2.388 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 119 137.330 1.728 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 119 135.677 1.695 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 119 137.020 -0.680 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.971 -0.474 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 119 134.649 -0.878 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 119 134.342 -0.246 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 119 134.790 -2.425 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 119 135.970 -2.142 1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 119 136.679 -3.760 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 119 135.838 -4.416 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 119 136.605 -5.026 -0.571 1.00 0.00 H new ATOM 1458 N GLY A 120 134.555 0.054 -3.469 1.00 0.00 N ATOM 1459 CA GLY A 120 134.409 -1.078 -4.432 1.00 0.00 C ATOM 1460 C GLY A 120 133.275 -0.771 -5.413 1.00 0.00 C ATOM 1461 O GLY A 120 132.698 0.299 -5.390 1.00 0.00 O ATOM 0 H GLY A 120 133.680 0.408 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.342 -1.230 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 120 134.198 -2.002 -3.894 1.00 0.00 H new ATOM 1465 N ASP A 121 132.954 -1.704 -6.273 1.00 0.00 N ATOM 1466 CA ASP A 121 131.856 -1.473 -7.264 1.00 0.00 C ATOM 1467 C ASP A 121 130.495 -1.443 -6.562 1.00 0.00 C ATOM 1468 O ASP A 121 129.673 -0.586 -6.827 1.00 0.00 O ATOM 1469 CB ASP A 121 131.932 -2.655 -8.234 1.00 0.00 C ATOM 1470 CG ASP A 121 133.192 -2.535 -9.094 1.00 0.00 C ATOM 1471 OD1 ASP A 121 133.749 -3.564 -9.440 1.00 0.00 O ATOM 1472 OD2 ASP A 121 133.578 -1.417 -9.394 1.00 0.00 O ATOM 0 H ASP A 121 133.405 -2.617 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 121 131.967 -0.518 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.947 -3.593 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 121 131.047 -2.674 -8.869 1.00 0.00 H new ATOM 1477 N SER A 122 130.251 -2.372 -5.671 1.00 0.00 N ATOM 1478 CA SER A 122 128.940 -2.401 -4.953 1.00 0.00 C ATOM 1479 C SER A 122 129.151 -2.455 -3.435 1.00 0.00 C ATOM 1480 O SER A 122 128.270 -2.857 -2.697 1.00 0.00 O ATOM 1481 CB SER A 122 128.249 -3.672 -5.440 1.00 0.00 C ATOM 1482 OG SER A 122 128.231 -3.682 -6.862 1.00 0.00 O ATOM 0 H SER A 122 130.903 -3.111 -5.410 1.00 0.00 H new ATOM 0 HA SER A 122 128.348 -1.508 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.773 -4.551 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.232 -3.718 -5.052 1.00 0.00 H new ATOM 0 HG SER A 122 127.789 -4.498 -7.178 1.00 0.00 H new ATOM 1488 N ARG A 123 130.305 -2.053 -2.962 1.00 0.00 N ATOM 1489 CA ARG A 123 130.567 -2.080 -1.490 1.00 0.00 C ATOM 1490 C ARG A 123 131.355 -0.835 -1.074 1.00 0.00 C ATOM 1491 O ARG A 123 132.226 -0.377 -1.788 1.00 0.00 O ATOM 1492 CB ARG A 123 131.390 -3.348 -1.256 1.00 0.00 C ATOM 1493 CG ARG A 123 131.635 -3.532 0.247 1.00 0.00 C ATOM 1494 CD ARG A 123 131.537 -5.020 0.612 1.00 0.00 C ATOM 1495 NE ARG A 123 132.883 -5.380 1.155 1.00 0.00 N ATOM 1496 CZ ARG A 123 133.862 -5.768 0.363 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.769 -5.669 -0.943 1.00 0.00 N ATOM 1498 NH2 ARG A 123 134.950 -6.262 0.889 1.00 0.00 N ATOM 0 H ARG A 123 131.077 -1.707 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 123 129.648 -2.082 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 123 130.864 -4.214 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.341 -3.279 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.619 -3.147 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.903 -2.959 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 123 130.755 -5.193 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.290 -5.624 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 123 133.047 -5.324 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.924 -5.284 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.541 -5.977 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 123 135.035 -6.344 1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 123 135.715 -6.566 0.287 1.00 0.00 H new ATOM 1512 N GLY A 124 131.052 -0.287 0.075 1.00 0.00 N ATOM 1513 CA GLY A 124 131.778 0.931 0.543 1.00 0.00 C ATOM 1514 C GLY A 124 132.173 0.765 2.010 1.00 0.00 C ATOM 1515 O GLY A 124 131.702 -0.125 2.693 1.00 0.00 O ATOM 0 H GLY A 124 130.332 -0.631 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.667 1.093 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.146 1.811 0.424 1.00 0.00 H new ATOM 1519 N SER A 125 133.038 1.618 2.498 1.00 0.00 N ATOM 1520 CA SER A 125 133.476 1.523 3.922 1.00 0.00 C ATOM 1521 C SER A 125 132.697 2.521 4.783 1.00 0.00 C ATOM 1522 O SER A 125 132.056 3.424 4.276 1.00 0.00 O ATOM 1523 CB SER A 125 134.961 1.875 3.902 1.00 0.00 C ATOM 1524 OG SER A 125 135.136 3.140 3.278 1.00 0.00 O ATOM 0 H SER A 125 133.461 2.380 1.968 1.00 0.00 H new ATOM 0 HA SER A 125 133.298 0.534 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.354 1.901 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.520 1.110 3.363 1.00 0.00 H new ATOM 0 HG SER A 125 136.089 3.369 3.265 1.00 0.00 H new ATOM 1530 N LEU A 126 132.745 2.361 6.080 1.00 0.00 N ATOM 1531 CA LEU A 126 132.005 3.291 6.985 1.00 0.00 C ATOM 1532 C LEU A 126 132.979 3.999 7.933 1.00 0.00 C ATOM 1533 O LEU A 126 133.729 3.365 8.651 1.00 0.00 O ATOM 1534 CB LEU A 126 131.049 2.391 7.767 1.00 0.00 C ATOM 1535 CG LEU A 126 130.158 3.242 8.672 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.248 4.123 7.813 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.302 2.325 9.547 1.00 0.00 C ATOM 0 H LEU A 126 133.267 1.623 6.553 1.00 0.00 H new ATOM 0 HA LEU A 126 131.478 4.073 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.435 1.812 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.615 1.678 8.366 1.00 0.00 H new ATOM 0 HG LEU A 126 130.780 3.874 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.613 4.729 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.858 4.775 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.624 3.493 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.666 2.929 10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.680 1.694 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 126 129.950 1.698 10.159 1.00 0.00 H new ATOM 1549 N LEU A 127 132.971 5.310 7.938 1.00 0.00 N ATOM 1550 CA LEU A 127 133.896 6.067 8.839 1.00 0.00 C ATOM 1551 C LEU A 127 133.587 5.746 10.303 1.00 0.00 C ATOM 1552 O LEU A 127 134.480 5.567 11.109 1.00 0.00 O ATOM 1553 CB LEU A 127 133.628 7.546 8.548 1.00 0.00 C ATOM 1554 CG LEU A 127 134.330 7.950 7.251 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.417 7.652 6.060 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.647 9.447 7.289 1.00 0.00 C ATOM 0 H LEU A 127 132.364 5.889 7.357 1.00 0.00 H new ATOM 0 HA LEU A 127 134.940 5.804 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.556 7.722 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.987 8.160 9.374 1.00 0.00 H new ATOM 0 HG LEU A 127 135.256 7.384 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.918 7.940 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.191 6.586 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.490 8.217 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 127 135.148 9.736 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.721 10.012 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 127 135.299 9.660 8.137 1.00 0.00 H new ATOM 1568 N SER A 128 132.328 5.672 10.649 1.00 0.00 N ATOM 1569 CA SER A 128 131.949 5.360 12.059 1.00 0.00 C ATOM 1570 C SER A 128 131.508 3.890 12.171 1.00 0.00 C ATOM 1571 O SER A 128 130.429 3.546 11.732 1.00 0.00 O ATOM 1572 CB SER A 128 130.779 6.294 12.371 1.00 0.00 C ATOM 1573 OG SER A 128 129.901 6.338 11.254 1.00 0.00 O ATOM 0 H SER A 128 131.543 5.815 10.013 1.00 0.00 H new ATOM 0 HA SER A 128 132.778 5.501 12.753 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.245 5.944 13.254 1.00 0.00 H new ATOM 0 HB3 SER A 128 131.148 7.294 12.598 1.00 0.00 H new ATOM 0 HG SER A 128 129.583 7.256 11.124 1.00 0.00 H new ATOM 1579 N PRO A 129 132.353 3.059 12.750 1.00 0.00 N ATOM 1580 CA PRO A 129 132.008 1.628 12.891 1.00 0.00 C ATOM 1581 C PRO A 129 130.926 1.430 13.956 1.00 0.00 C ATOM 1582 O PRO A 129 131.182 1.537 15.140 1.00 0.00 O ATOM 1583 CB PRO A 129 133.320 0.974 13.315 1.00 0.00 C ATOM 1584 CG PRO A 129 134.105 2.067 13.960 1.00 0.00 C ATOM 1585 CD PRO A 129 133.674 3.358 13.315 1.00 0.00 C ATOM 0 HA PRO A 129 131.604 1.200 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.145 0.151 14.008 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.850 0.560 12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 129 133.921 2.092 15.034 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.174 1.906 13.824 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.621 4.168 14.043 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.376 3.670 12.542 1.00 0.00 H new ATOM 1593 N ARG A 130 129.722 1.133 13.538 1.00 0.00 N ATOM 1594 CA ARG A 130 128.613 0.914 14.515 1.00 0.00 C ATOM 1595 C ARG A 130 128.278 -0.584 14.589 1.00 0.00 C ATOM 1596 O ARG A 130 128.501 -1.303 13.638 1.00 0.00 O ATOM 1597 CB ARG A 130 127.425 1.703 13.957 1.00 0.00 C ATOM 1598 CG ARG A 130 127.788 3.188 13.870 1.00 0.00 C ATOM 1599 CD ARG A 130 126.509 4.024 13.757 1.00 0.00 C ATOM 1600 NE ARG A 130 126.827 5.084 12.751 1.00 0.00 N ATOM 1601 CZ ARG A 130 126.977 4.794 11.474 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.662 3.614 10.995 1.00 0.00 N ATOM 1603 NH2 ARG A 130 127.447 5.705 10.665 1.00 0.00 N ATOM 0 H ARG A 130 129.458 1.032 12.558 1.00 0.00 H new ATOM 0 HA ARG A 130 128.874 1.239 15.522 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.157 1.326 12.970 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.553 1.569 14.598 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.353 3.487 14.753 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.428 3.366 13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 130 125.666 3.414 13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.237 4.461 14.718 1.00 0.00 H new ATOM 0 HE ARG A 130 126.930 6.051 13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 130 126.291 2.894 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 130 126.788 3.416 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 130 127.693 6.628 11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 130 127.568 5.494 9.674 1.00 0.00 H new ATOM 1617 N PRO A 131 127.761 -1.017 15.718 1.00 0.00 N ATOM 1618 CA PRO A 131 127.415 -2.452 15.880 1.00 0.00 C ATOM 1619 C PRO A 131 126.175 -2.811 15.056 1.00 0.00 C ATOM 1620 O PRO A 131 125.309 -1.985 14.836 1.00 0.00 O ATOM 1621 CB PRO A 131 127.133 -2.591 17.374 1.00 0.00 C ATOM 1622 CG PRO A 131 126.736 -1.221 17.822 1.00 0.00 C ATOM 1623 CD PRO A 131 127.450 -0.239 16.929 1.00 0.00 C ATOM 0 HA PRO A 131 128.206 -3.118 15.536 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.338 -3.313 17.560 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.014 -2.942 17.911 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.656 -1.091 17.752 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.009 -1.062 18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 131 126.822 0.622 16.700 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.355 0.144 17.401 1.00 0.00 H new ATOM 1631 N VAL A 132 126.079 -4.043 14.606 1.00 0.00 N ATOM 1632 CA VAL A 132 124.884 -4.467 13.801 1.00 0.00 C ATOM 1633 C VAL A 132 123.597 -4.136 14.576 1.00 0.00 C ATOM 1634 O VAL A 132 122.575 -3.842 13.992 1.00 0.00 O ATOM 1635 CB VAL A 132 125.040 -5.994 13.609 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.778 -6.598 12.966 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.245 -6.281 12.700 1.00 0.00 C ATOM 0 H VAL A 132 126.775 -4.772 14.761 1.00 0.00 H new ATOM 0 HA VAL A 132 124.821 -3.954 12.841 1.00 0.00 H new ATOM 0 HB VAL A 132 125.191 -6.446 14.589 1.00 0.00 H new ATOM 0 HG11 VAL A 132 123.912 -7.673 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 132 122.918 -6.412 13.609 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.610 -6.138 11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.352 -7.358 12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.090 -5.809 11.730 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.150 -5.880 13.158 1.00 0.00 H new ATOM 1647 N SER A 133 123.651 -4.190 15.882 1.00 0.00 N ATOM 1648 CA SER A 133 122.437 -3.887 16.703 1.00 0.00 C ATOM 1649 C SER A 133 121.945 -2.462 16.434 1.00 0.00 C ATOM 1650 O SER A 133 120.756 -2.217 16.347 1.00 0.00 O ATOM 1651 CB SER A 133 122.887 -4.030 18.158 1.00 0.00 C ATOM 1652 OG SER A 133 121.836 -3.611 19.018 1.00 0.00 O ATOM 0 H SER A 133 124.485 -4.431 16.418 1.00 0.00 H new ATOM 0 HA SER A 133 121.610 -4.556 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.153 -5.066 18.368 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.779 -3.429 18.336 1.00 0.00 H new ATOM 0 HG SER A 133 122.121 -3.703 19.951 1.00 0.00 H new ATOM 1658 N TYR A 134 122.848 -1.523 16.297 1.00 0.00 N ATOM 1659 CA TYR A 134 122.431 -0.113 16.028 1.00 0.00 C ATOM 1660 C TYR A 134 121.864 -0.007 14.612 1.00 0.00 C ATOM 1661 O TYR A 134 120.890 0.682 14.369 1.00 0.00 O ATOM 1662 CB TYR A 134 123.709 0.719 16.160 1.00 0.00 C ATOM 1663 CG TYR A 134 123.385 2.180 15.969 1.00 0.00 C ATOM 1664 CD1 TYR A 134 122.792 2.912 17.005 1.00 0.00 C ATOM 1665 CD2 TYR A 134 123.680 2.801 14.753 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.493 4.268 16.820 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.383 4.156 14.567 1.00 0.00 C ATOM 1668 CZ TYR A 134 122.789 4.890 15.601 1.00 0.00 C ATOM 1669 OH TYR A 134 122.496 6.225 15.419 1.00 0.00 O ATOM 0 H TYR A 134 123.855 -1.672 16.360 1.00 0.00 H new ATOM 0 HA TYR A 134 121.658 0.231 16.715 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.158 0.561 17.141 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.441 0.399 15.419 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.565 2.432 17.945 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.138 2.235 13.955 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.034 4.834 17.618 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.612 4.635 13.627 1.00 0.00 H new ATOM 0 HH TYR A 134 122.766 6.499 14.518 1.00 0.00 H new ATOM 1679 N LEU A 135 122.472 -0.689 13.680 1.00 0.00 N ATOM 1680 CA LEU A 135 121.992 -0.648 12.268 1.00 0.00 C ATOM 1681 C LEU A 135 121.052 -1.831 11.982 1.00 0.00 C ATOM 1682 O LEU A 135 120.750 -2.125 10.842 1.00 0.00 O ATOM 1683 CB LEU A 135 123.272 -0.758 11.436 1.00 0.00 C ATOM 1684 CG LEU A 135 122.989 -0.405 9.972 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.539 1.053 9.867 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.264 -0.600 9.151 1.00 0.00 C ATOM 0 H LEU A 135 123.289 -1.279 13.838 1.00 0.00 H new ATOM 0 HA LEU A 135 121.424 0.255 12.043 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.033 -0.089 11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.671 -1.770 11.502 1.00 0.00 H new ATOM 0 HG LEU A 135 122.200 -1.053 9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.339 1.298 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.632 1.197 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.325 1.705 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.067 -0.350 8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.049 0.050 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.586 -1.639 9.220 1.00 0.00 H new ATOM 1698 N LYS A 136 120.589 -2.515 13.006 1.00 0.00 N ATOM 1699 CA LYS A 136 119.678 -3.676 12.775 1.00 0.00 C ATOM 1700 C LYS A 136 118.284 -3.213 12.441 1.00 0.00 C ATOM 1701 O LYS A 136 117.577 -2.632 13.242 1.00 0.00 O ATOM 1702 CB LYS A 136 119.724 -4.513 14.059 1.00 0.00 C ATOM 1703 CG LYS A 136 120.019 -5.983 13.719 1.00 0.00 C ATOM 1704 CD LYS A 136 118.784 -6.842 13.997 1.00 0.00 C ATOM 1705 CE LYS A 136 117.890 -6.872 12.756 1.00 0.00 C ATOM 1706 NZ LYS A 136 116.742 -7.743 13.131 1.00 0.00 N ATOM 0 H LYS A 136 120.803 -2.318 13.984 1.00 0.00 H new ATOM 0 HA LYS A 136 119.995 -4.274 11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.492 -4.125 14.728 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.773 -4.437 14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 136 120.306 -6.072 12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.861 -6.340 14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 136 119.086 -7.855 14.265 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.232 -6.439 14.846 1.00 0.00 H new ATOM 0 HE2 LYS A 136 117.554 -5.871 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 136 118.424 -7.272 11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 116.083 -7.813 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 117.091 -8.691 13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 116.249 -7.334 13.950 1.00 0.00 H new ATOM 1720 N GLY A 137 117.903 -3.478 11.226 1.00 0.00 N ATOM 1721 CA GLY A 137 116.550 -3.069 10.754 1.00 0.00 C ATOM 1722 C GLY A 137 116.670 -1.810 9.902 1.00 0.00 C ATOM 1723 O GLY A 137 115.799 -0.961 9.902 1.00 0.00 O ATOM 0 H GLY A 137 118.473 -3.964 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.097 -3.873 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.896 -2.884 11.606 1.00 0.00 H new ATOM 1727 N SER A 138 117.747 -1.692 9.167 1.00 0.00 N ATOM 1728 CA SER A 138 117.939 -0.498 8.299 1.00 0.00 C ATOM 1729 C SER A 138 117.948 -0.906 6.820 1.00 0.00 C ATOM 1730 O SER A 138 118.421 -0.167 5.976 1.00 0.00 O ATOM 1731 CB SER A 138 119.297 0.072 8.705 1.00 0.00 C ATOM 1732 OG SER A 138 119.181 0.702 9.975 1.00 0.00 O ATOM 0 H SER A 138 118.503 -2.376 9.133 1.00 0.00 H new ATOM 0 HA SER A 138 117.137 0.230 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.040 -0.724 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.641 0.790 7.960 1.00 0.00 H new ATOM 0 HG SER A 138 119.579 0.128 10.662 1.00 0.00 H new ATOM 1738 N SER A 139 117.426 -2.069 6.495 1.00 0.00 N ATOM 1739 CA SER A 139 117.408 -2.502 5.064 1.00 0.00 C ATOM 1740 C SER A 139 116.450 -1.611 4.273 1.00 0.00 C ATOM 1741 O SER A 139 115.456 -1.143 4.795 1.00 0.00 O ATOM 1742 CB SER A 139 116.910 -3.946 5.082 1.00 0.00 C ATOM 1743 OG SER A 139 117.571 -4.658 6.120 1.00 0.00 O ATOM 0 H SER A 139 117.016 -2.729 7.155 1.00 0.00 H new ATOM 0 HA SER A 139 118.388 -2.426 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.832 -3.969 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 139 117.102 -4.421 4.120 1.00 0.00 H new ATOM 0 HG SER A 139 117.252 -5.585 6.135 1.00 0.00 H new ATOM 1749 N GLY A 140 116.744 -1.368 3.021 1.00 0.00 N ATOM 1750 CA GLY A 140 115.853 -0.499 2.198 1.00 0.00 C ATOM 1751 C GLY A 140 116.363 0.947 2.219 1.00 0.00 C ATOM 1752 O GLY A 140 116.026 1.740 1.360 1.00 0.00 O ATOM 0 H GLY A 140 117.562 -1.734 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.820 -0.866 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.835 -0.539 2.584 1.00 0.00 H new ATOM 1756 N GLY A 141 117.175 1.300 3.191 1.00 0.00 N ATOM 1757 CA GLY A 141 117.708 2.695 3.265 1.00 0.00 C ATOM 1758 C GLY A 141 118.474 3.023 1.970 1.00 0.00 C ATOM 1759 O GLY A 141 119.509 2.438 1.716 1.00 0.00 O ATOM 0 H GLY A 141 117.490 0.679 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.889 3.401 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.368 2.798 4.126 1.00 0.00 H new ATOM 1763 N PRO A 142 117.949 3.938 1.179 1.00 0.00 N ATOM 1764 CA PRO A 142 118.624 4.299 -0.092 1.00 0.00 C ATOM 1765 C PRO A 142 119.892 5.116 0.174 1.00 0.00 C ATOM 1766 O PRO A 142 120.036 5.743 1.207 1.00 0.00 O ATOM 1767 CB PRO A 142 117.587 5.142 -0.829 1.00 0.00 C ATOM 1768 CG PRO A 142 116.714 5.705 0.244 1.00 0.00 C ATOM 1769 CD PRO A 142 116.708 4.710 1.375 1.00 0.00 C ATOM 0 HA PRO A 142 118.942 3.425 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.062 5.934 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.011 4.537 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.092 6.670 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.703 5.871 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.697 5.208 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.828 4.068 1.337 1.00 0.00 H new ATOM 1777 N LEU A 143 120.805 5.117 -0.765 1.00 0.00 N ATOM 1778 CA LEU A 143 122.066 5.896 -0.600 1.00 0.00 C ATOM 1779 C LEU A 143 122.047 7.093 -1.551 1.00 0.00 C ATOM 1780 O LEU A 143 121.808 6.947 -2.736 1.00 0.00 O ATOM 1781 CB LEU A 143 123.188 4.928 -0.975 1.00 0.00 C ATOM 1782 CG LEU A 143 123.508 4.028 0.219 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.527 2.854 0.252 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.937 3.495 0.085 1.00 0.00 C ATOM 0 H LEU A 143 120.728 4.607 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 143 122.194 6.281 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.889 4.322 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.077 5.484 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 143 123.418 4.602 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.756 2.213 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.509 3.233 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.617 2.279 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.167 2.853 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.026 2.921 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.636 4.331 0.062 1.00 0.00 H new ATOM 1796 N LEU A 144 122.277 8.275 -1.040 1.00 0.00 N ATOM 1797 CA LEU A 144 122.254 9.487 -1.912 1.00 0.00 C ATOM 1798 C LEU A 144 123.660 10.070 -2.082 1.00 0.00 C ATOM 1799 O LEU A 144 124.552 9.814 -1.298 1.00 0.00 O ATOM 1800 CB LEU A 144 121.347 10.479 -1.173 1.00 0.00 C ATOM 1801 CG LEU A 144 119.933 10.462 -1.773 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.985 10.888 -3.242 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.337 9.052 -1.670 1.00 0.00 C ATOM 0 H LEU A 144 122.480 8.453 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 144 121.894 9.260 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.303 10.222 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.765 11.483 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 144 119.306 11.159 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.979 10.874 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 144 120.394 11.896 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 144 120.620 10.198 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 144 118.334 9.049 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.967 8.350 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.286 8.754 -0.623 1.00 0.00 H new ATOM 1815 N CYS A 145 123.849 10.861 -3.105 1.00 0.00 N ATOM 1816 CA CYS A 145 125.184 11.485 -3.350 1.00 0.00 C ATOM 1817 C CYS A 145 125.038 13.018 -3.318 1.00 0.00 C ATOM 1818 O CYS A 145 123.933 13.521 -3.371 1.00 0.00 O ATOM 1819 CB CYS A 145 125.614 10.979 -4.740 1.00 0.00 C ATOM 1820 SG CYS A 145 124.413 11.479 -6.002 1.00 0.00 S ATOM 0 H CYS A 145 123.130 11.104 -3.787 1.00 0.00 H new ATOM 0 HA CYS A 145 125.928 11.224 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.598 11.377 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.703 9.893 -4.726 1.00 0.00 H new ATOM 0 HG CYS A 145 123.274 10.896 -5.772 1.00 0.00 H new ATOM 1825 N PRO A 146 126.145 13.724 -3.225 1.00 0.00 N ATOM 1826 CA PRO A 146 126.083 15.210 -3.177 1.00 0.00 C ATOM 1827 C PRO A 146 125.513 15.791 -4.480 1.00 0.00 C ATOM 1828 O PRO A 146 125.122 16.943 -4.526 1.00 0.00 O ATOM 1829 CB PRO A 146 127.540 15.625 -2.965 1.00 0.00 C ATOM 1830 CG PRO A 146 128.336 14.475 -3.483 1.00 0.00 C ATOM 1831 CD PRO A 146 127.536 13.242 -3.163 1.00 0.00 C ATOM 0 HA PRO A 146 125.423 15.580 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.773 16.544 -3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.750 15.811 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.501 14.566 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.318 14.436 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.719 12.444 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.782 12.846 -2.178 1.00 0.00 H new ATOM 1839 N SER A 147 125.451 15.008 -5.531 1.00 0.00 N ATOM 1840 CA SER A 147 124.891 15.528 -6.818 1.00 0.00 C ATOM 1841 C SER A 147 123.379 15.738 -6.686 1.00 0.00 C ATOM 1842 O SER A 147 122.835 16.708 -7.178 1.00 0.00 O ATOM 1843 CB SER A 147 125.196 14.451 -7.858 1.00 0.00 C ATOM 1844 OG SER A 147 124.899 14.953 -9.154 1.00 0.00 O ATOM 0 H SER A 147 125.762 14.037 -5.553 1.00 0.00 H new ATOM 0 HA SER A 147 125.325 16.489 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 147 126.245 14.159 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.605 13.557 -7.657 1.00 0.00 H new ATOM 0 HG SER A 147 125.095 14.265 -9.824 1.00 0.00 H new ATOM 1850 N GLY A 148 122.701 14.834 -6.021 1.00 0.00 N ATOM 1851 CA GLY A 148 121.223 14.976 -5.848 1.00 0.00 C ATOM 1852 C GLY A 148 120.500 13.841 -6.578 1.00 0.00 C ATOM 1853 O GLY A 148 119.398 14.013 -7.063 1.00 0.00 O ATOM 0 H GLY A 148 123.109 14.004 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.969 14.958 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.893 15.939 -6.238 1.00 0.00 H new ATOM 1857 N HIS A 149 121.109 12.685 -6.657 1.00 0.00 N ATOM 1858 CA HIS A 149 120.459 11.534 -7.356 1.00 0.00 C ATOM 1859 C HIS A 149 120.540 10.270 -6.493 1.00 0.00 C ATOM 1860 O HIS A 149 121.410 10.139 -5.653 1.00 0.00 O ATOM 1861 CB HIS A 149 121.260 11.347 -8.647 1.00 0.00 C ATOM 1862 CG HIS A 149 121.151 12.584 -9.498 1.00 0.00 C ATOM 1863 ND1 HIS A 149 122.192 13.021 -10.300 1.00 0.00 N ATOM 1864 CD2 HIS A 149 120.131 13.483 -9.684 1.00 0.00 C ATOM 1865 CE1 HIS A 149 121.781 14.139 -10.926 1.00 0.00 C ATOM 1866 NE2 HIS A 149 120.531 14.465 -10.586 1.00 0.00 N ATOM 0 H HIS A 149 122.031 12.488 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 149 119.403 11.719 -7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.305 11.147 -8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 149 120.886 10.483 -9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 149 119.165 13.436 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 149 122.388 14.704 -11.619 1.00 0.00 H new ATOM 0 HE2 HIS A 149 119.987 15.262 -10.916 1.00 0.00 H new ATOM 1874 N ALA A 150 119.642 9.339 -6.701 1.00 0.00 N ATOM 1875 CA ALA A 150 119.663 8.077 -5.899 1.00 0.00 C ATOM 1876 C ALA A 150 120.823 7.187 -6.354 1.00 0.00 C ATOM 1877 O ALA A 150 121.187 7.175 -7.515 1.00 0.00 O ATOM 1878 CB ALA A 150 118.322 7.397 -6.184 1.00 0.00 C ATOM 0 H ALA A 150 118.895 9.399 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 150 119.802 8.267 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.263 6.461 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.508 8.054 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.238 7.191 -7.251 1.00 0.00 H new ATOM 1884 N VAL A 151 121.407 6.446 -5.447 1.00 0.00 N ATOM 1885 CA VAL A 151 122.550 5.558 -5.818 1.00 0.00 C ATOM 1886 C VAL A 151 122.142 4.085 -5.697 1.00 0.00 C ATOM 1887 O VAL A 151 122.151 3.349 -6.667 1.00 0.00 O ATOM 1888 CB VAL A 151 123.664 5.895 -4.820 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.903 5.049 -5.124 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.027 7.379 -4.937 1.00 0.00 C ATOM 0 H VAL A 151 121.141 6.418 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 151 122.871 5.712 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 151 123.315 5.681 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.693 5.291 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.651 3.992 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 151 125.249 5.261 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.819 7.617 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.372 7.591 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.149 7.987 -4.718 1.00 0.00 H new ATOM 1900 N GLY A 152 121.788 3.651 -4.512 1.00 0.00 N ATOM 1901 CA GLY A 152 121.383 2.224 -4.323 1.00 0.00 C ATOM 1902 C GLY A 152 120.634 2.068 -2.999 1.00 0.00 C ATOM 1903 O GLY A 152 120.104 3.021 -2.463 1.00 0.00 O ATOM 0 H GLY A 152 121.762 4.223 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.749 1.904 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.264 1.582 -4.330 1.00 0.00 H new ATOM 1907 N ILE A 153 120.583 0.870 -2.474 1.00 0.00 N ATOM 1908 CA ILE A 153 119.868 0.637 -1.181 1.00 0.00 C ATOM 1909 C ILE A 153 120.734 -0.226 -0.254 1.00 0.00 C ATOM 1910 O ILE A 153 121.581 -0.976 -0.707 1.00 0.00 O ATOM 1911 CB ILE A 153 118.580 -0.102 -1.572 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.715 0.805 -2.451 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.789 -0.477 -0.317 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.562 -0.007 -3.044 1.00 0.00 C ATOM 0 H ILE A 153 121.007 0.039 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 153 119.656 1.562 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 153 118.846 -1.007 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.324 1.635 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.318 1.237 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.877 -1.001 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.396 -1.125 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.530 0.427 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.946 0.639 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.963 -0.821 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.954 -0.418 -2.238 1.00 0.00 H new ATOM 1926 N PHE A 154 120.526 -0.129 1.037 1.00 0.00 N ATOM 1927 CA PHE A 154 121.337 -0.948 1.991 1.00 0.00 C ATOM 1928 C PHE A 154 120.947 -2.422 1.872 1.00 0.00 C ATOM 1929 O PHE A 154 119.810 -2.751 1.586 1.00 0.00 O ATOM 1930 CB PHE A 154 121.001 -0.413 3.386 1.00 0.00 C ATOM 1931 CG PHE A 154 121.974 -0.990 4.390 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.355 -0.867 4.182 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.496 -1.654 5.526 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.254 -1.407 5.109 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.397 -2.193 6.452 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.775 -2.070 6.243 1.00 0.00 C ATOM 0 H PHE A 154 119.832 0.480 1.470 1.00 0.00 H new ATOM 0 HA PHE A 154 122.405 -0.878 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.056 0.676 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.980 -0.683 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.725 -0.355 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.433 -1.750 5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.318 -1.312 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.028 -2.704 7.329 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.469 -2.487 6.958 1.00 0.00 H new ATOM 1946 N ARG A 155 121.887 -3.310 2.078 1.00 0.00 N ATOM 1947 CA ARG A 155 121.585 -4.768 1.963 1.00 0.00 C ATOM 1948 C ARG A 155 122.059 -5.526 3.217 1.00 0.00 C ATOM 1949 O ARG A 155 121.270 -5.846 4.096 1.00 0.00 O ATOM 1950 CB ARG A 155 122.358 -5.210 0.711 1.00 0.00 C ATOM 1951 CG ARG A 155 122.224 -6.726 0.500 1.00 0.00 C ATOM 1952 CD ARG A 155 123.611 -7.351 0.307 1.00 0.00 C ATOM 1953 NE ARG A 155 124.183 -6.670 -0.896 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.880 -7.066 -2.117 1.00 0.00 C ATOM 1955 NH1 ARG A 155 122.921 -7.935 -2.337 1.00 0.00 N ATOM 1956 NH2 ARG A 155 124.548 -6.582 -3.127 1.00 0.00 N ATOM 0 H ARG A 155 122.852 -3.087 2.321 1.00 0.00 H new ATOM 0 HA ARG A 155 120.518 -4.975 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.978 -4.681 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.410 -4.943 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.728 -7.179 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 155 121.601 -6.927 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 155 124.239 -7.195 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.540 -8.428 0.154 1.00 0.00 H new ATOM 0 HE ARG A 155 124.820 -5.884 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 155 122.392 -8.319 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 155 122.705 -8.226 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 155 125.295 -5.906 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 155 124.324 -6.880 -4.076 1.00 0.00 H new ATOM 1970 N ALA A 156 123.331 -5.824 3.307 1.00 0.00 N ATOM 1971 CA ALA A 156 123.834 -6.568 4.497 1.00 0.00 C ATOM 1972 C ALA A 156 124.879 -5.757 5.257 1.00 0.00 C ATOM 1973 O ALA A 156 125.697 -5.066 4.680 1.00 0.00 O ATOM 1974 CB ALA A 156 124.464 -7.848 3.940 1.00 0.00 C ATOM 0 H ALA A 156 124.038 -5.585 2.611 1.00 0.00 H new ATOM 0 HA ALA A 156 123.028 -6.775 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.857 -8.447 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.709 -8.421 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 156 125.275 -7.588 3.260 1.00 0.00 H new ATOM 1980 N ALA A 157 124.860 -5.872 6.552 1.00 0.00 N ATOM 1981 CA ALA A 157 125.858 -5.150 7.401 1.00 0.00 C ATOM 1982 C ALA A 157 127.042 -6.086 7.664 1.00 0.00 C ATOM 1983 O ALA A 157 126.866 -7.219 8.061 1.00 0.00 O ATOM 1984 CB ALA A 157 125.121 -4.825 8.701 1.00 0.00 C ATOM 0 H ALA A 157 124.190 -6.441 7.070 1.00 0.00 H new ATOM 0 HA ALA A 157 126.245 -4.244 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.791 -4.293 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.256 -4.200 8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.790 -5.750 9.173 1.00 0.00 H new ATOM 1990 N VAL A 158 128.241 -5.632 7.403 1.00 0.00 N ATOM 1991 CA VAL A 158 129.443 -6.515 7.586 1.00 0.00 C ATOM 1992 C VAL A 158 130.140 -6.235 8.919 1.00 0.00 C ATOM 1993 O VAL A 158 130.621 -5.143 9.152 1.00 0.00 O ATOM 1994 CB VAL A 158 130.406 -6.175 6.428 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.383 -7.343 6.215 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.634 -5.909 5.122 1.00 0.00 C ATOM 0 H VAL A 158 128.444 -4.689 7.071 1.00 0.00 H new ATOM 0 HA VAL A 158 129.147 -7.564 7.587 1.00 0.00 H new ATOM 0 HB VAL A 158 130.954 -5.271 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.063 -7.104 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.956 -7.509 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.823 -8.245 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.338 -5.672 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.063 -6.797 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.954 -5.070 5.266 1.00 0.00 H new ATOM 2006 N CYS A 159 130.221 -7.220 9.785 1.00 0.00 N ATOM 2007 CA CYS A 159 130.914 -7.006 11.092 1.00 0.00 C ATOM 2008 C CYS A 159 131.752 -8.237 11.470 1.00 0.00 C ATOM 2009 O CYS A 159 131.361 -9.362 11.225 1.00 0.00 O ATOM 2010 CB CYS A 159 129.795 -6.771 12.115 1.00 0.00 C ATOM 2011 SG CYS A 159 128.707 -8.218 12.197 1.00 0.00 S ATOM 0 H CYS A 159 129.839 -8.155 9.642 1.00 0.00 H new ATOM 0 HA CYS A 159 131.604 -6.163 11.051 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.226 -6.575 13.097 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.218 -5.889 11.838 1.00 0.00 H new ATOM 0 HG CYS A 159 129.364 -9.277 11.826 1.00 0.00 H new ATOM 2017 N THR A 160 132.894 -8.024 12.074 1.00 0.00 N ATOM 2018 CA THR A 160 133.759 -9.172 12.483 1.00 0.00 C ATOM 2019 C THR A 160 133.184 -9.836 13.739 1.00 0.00 C ATOM 2020 O THR A 160 133.144 -11.046 13.853 1.00 0.00 O ATOM 2021 CB THR A 160 135.130 -8.556 12.777 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.609 -7.898 11.613 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.115 -9.653 13.186 1.00 0.00 C ATOM 0 H THR A 160 133.265 -7.102 12.302 1.00 0.00 H new ATOM 0 HA THR A 160 133.820 -9.941 11.713 1.00 0.00 H new ATOM 0 HB THR A 160 135.036 -7.838 13.592 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.486 -7.501 11.799 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.088 -9.209 13.394 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.748 -10.157 14.080 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.212 -10.376 12.376 1.00 0.00 H new ATOM 2031 N ARG A 161 132.734 -9.043 14.677 1.00 0.00 N ATOM 2032 CA ARG A 161 132.151 -9.604 15.934 1.00 0.00 C ATOM 2033 C ARG A 161 130.973 -8.740 16.393 1.00 0.00 C ATOM 2034 O ARG A 161 130.903 -8.324 17.535 1.00 0.00 O ATOM 2035 CB ARG A 161 133.284 -9.570 16.962 1.00 0.00 C ATOM 2036 CG ARG A 161 133.794 -8.137 17.146 1.00 0.00 C ATOM 2037 CD ARG A 161 135.199 -8.174 17.749 1.00 0.00 C ATOM 2038 NE ARG A 161 135.014 -7.818 19.189 1.00 0.00 N ATOM 2039 CZ ARG A 161 135.895 -8.174 20.102 1.00 0.00 C ATOM 2040 NH1 ARG A 161 137.060 -8.679 19.769 1.00 0.00 N ATOM 2041 NH2 ARG A 161 135.604 -8.019 21.364 1.00 0.00 N ATOM 0 H ARG A 161 132.745 -8.024 14.626 1.00 0.00 H new ATOM 0 HA ARG A 161 131.771 -10.616 15.796 1.00 0.00 H new ATOM 0 HB2 ARG A 161 132.931 -9.962 17.916 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.100 -10.214 16.635 1.00 0.00 H new ATOM 0 HG2 ARG A 161 133.811 -7.619 16.187 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.121 -7.580 17.798 1.00 0.00 H new ATOM 0 HD2 ARG A 161 135.648 -9.161 17.642 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.861 -7.466 17.250 1.00 0.00 H new ATOM 0 HE ARG A 161 134.189 -7.289 19.471 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.300 -8.803 18.785 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.726 -8.947 20.494 1.00 0.00 H new ATOM 0 HH21 ARG A 161 134.703 -7.626 21.635 1.00 0.00 H new ATOM 0 HH22 ARG A 161 136.278 -8.291 22.080 1.00 0.00 H new ATOM 2055 N GLY A 162 130.058 -8.460 15.503 1.00 0.00 N ATOM 2056 CA GLY A 162 128.883 -7.613 15.861 1.00 0.00 C ATOM 2057 C GLY A 162 129.198 -6.136 15.585 1.00 0.00 C ATOM 2058 O GLY A 162 128.312 -5.303 15.591 1.00 0.00 O ATOM 0 H GLY A 162 130.075 -8.784 14.536 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.012 -7.922 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.633 -7.750 16.913 1.00 0.00 H new ATOM 2062 N VAL A 163 130.445 -5.802 15.325 1.00 0.00 N ATOM 2063 CA VAL A 163 130.798 -4.380 15.031 1.00 0.00 C ATOM 2064 C VAL A 163 130.832 -4.181 13.515 1.00 0.00 C ATOM 2065 O VAL A 163 131.586 -4.832 12.820 1.00 0.00 O ATOM 2066 CB VAL A 163 132.191 -4.177 15.636 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.657 -2.740 15.387 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.136 -4.434 17.145 1.00 0.00 C ATOM 0 H VAL A 163 131.228 -6.455 15.305 1.00 0.00 H new ATOM 0 HA VAL A 163 130.081 -3.670 15.443 1.00 0.00 H new ATOM 0 HB VAL A 163 132.889 -4.872 15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.648 -2.599 15.819 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.698 -2.552 14.314 1.00 0.00 H new ATOM 0 HG13 VAL A 163 131.957 -2.045 15.851 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.127 -4.290 17.575 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.435 -3.739 17.607 1.00 0.00 H new ATOM 0 HG23 VAL A 163 131.807 -5.457 17.328 1.00 0.00 H new ATOM 2078 N ALA A 164 130.014 -3.299 12.998 1.00 0.00 N ATOM 2079 CA ALA A 164 129.987 -3.078 11.521 1.00 0.00 C ATOM 2080 C ALA A 164 131.020 -2.031 11.098 1.00 0.00 C ATOM 2081 O ALA A 164 130.987 -0.895 11.533 1.00 0.00 O ATOM 2082 CB ALA A 164 128.571 -2.583 11.220 1.00 0.00 C ATOM 0 H ALA A 164 129.365 -2.723 13.534 1.00 0.00 H new ATOM 0 HA ALA A 164 130.233 -3.989 10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.470 -2.397 10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.848 -3.339 11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.384 -1.659 11.768 1.00 0.00 H new ATOM 2088 N LYS A 165 131.932 -2.416 10.242 1.00 0.00 N ATOM 2089 CA LYS A 165 132.975 -1.463 9.762 1.00 0.00 C ATOM 2090 C LYS A 165 132.765 -1.176 8.271 1.00 0.00 C ATOM 2091 O LYS A 165 133.037 -0.092 7.792 1.00 0.00 O ATOM 2092 CB LYS A 165 134.302 -2.185 9.990 1.00 0.00 C ATOM 2093 CG LYS A 165 134.494 -2.438 11.487 1.00 0.00 C ATOM 2094 CD LYS A 165 135.821 -3.161 11.720 1.00 0.00 C ATOM 2095 CE LYS A 165 136.015 -3.403 13.219 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.048 -4.471 13.306 1.00 0.00 N ATOM 0 H LYS A 165 131.998 -3.357 9.853 1.00 0.00 H new ATOM 0 HA LYS A 165 132.941 -0.506 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.312 -3.130 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.126 -1.585 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.483 -1.493 12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.669 -3.037 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 165 135.829 -4.110 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.645 -2.566 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.342 -2.495 13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.084 -3.715 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.235 -4.692 14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 136.706 -5.325 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.925 -4.143 12.854 1.00 0.00 H new ATOM 2110 N ALA A 166 132.274 -2.147 7.541 1.00 0.00 N ATOM 2111 CA ALA A 166 132.030 -1.951 6.080 1.00 0.00 C ATOM 2112 C ALA A 166 130.539 -2.126 5.778 1.00 0.00 C ATOM 2113 O ALA A 166 129.780 -2.582 6.613 1.00 0.00 O ATOM 2114 CB ALA A 166 132.856 -3.036 5.387 1.00 0.00 C ATOM 0 H ALA A 166 132.031 -3.071 7.897 1.00 0.00 H new ATOM 0 HA ALA A 166 132.312 -0.955 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.728 -2.957 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.909 -2.908 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.520 -4.018 5.721 1.00 0.00 H new ATOM 2120 N VAL A 167 130.111 -1.760 4.595 1.00 0.00 N ATOM 2121 CA VAL A 167 128.663 -1.898 4.242 1.00 0.00 C ATOM 2122 C VAL A 167 128.496 -2.287 2.769 1.00 0.00 C ATOM 2123 O VAL A 167 129.143 -1.741 1.896 1.00 0.00 O ATOM 2124 CB VAL A 167 128.050 -0.518 4.507 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.187 -0.174 5.991 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.770 0.546 3.670 1.00 0.00 C ATOM 0 H VAL A 167 130.701 -1.372 3.859 1.00 0.00 H new ATOM 0 HA VAL A 167 128.178 -2.680 4.827 1.00 0.00 H new ATOM 0 HB VAL A 167 126.996 -0.539 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.751 0.807 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.666 -0.923 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.242 -0.161 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.328 1.523 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.826 0.566 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.668 0.306 2.612 1.00 0.00 H new ATOM 2136 N ASP A 168 127.626 -3.227 2.494 1.00 0.00 N ATOM 2137 CA ASP A 168 127.401 -3.662 1.083 1.00 0.00 C ATOM 2138 C ASP A 168 126.013 -3.214 0.604 1.00 0.00 C ATOM 2139 O ASP A 168 125.040 -3.301 1.330 1.00 0.00 O ATOM 2140 CB ASP A 168 127.486 -5.189 1.127 1.00 0.00 C ATOM 2141 CG ASP A 168 128.238 -5.698 -0.105 1.00 0.00 C ATOM 2142 OD1 ASP A 168 127.992 -5.177 -1.181 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.047 -6.598 0.048 1.00 0.00 O ATOM 0 H ASP A 168 127.060 -3.713 3.190 1.00 0.00 H new ATOM 0 HA ASP A 168 128.127 -3.230 0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 168 127.997 -5.509 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.484 -5.618 1.157 1.00 0.00 H new ATOM 2148 N PHE A 169 125.919 -2.736 -0.614 1.00 0.00 N ATOM 2149 CA PHE A 169 124.597 -2.278 -1.147 1.00 0.00 C ATOM 2150 C PHE A 169 124.453 -2.656 -2.628 1.00 0.00 C ATOM 2151 O PHE A 169 125.425 -2.950 -3.299 1.00 0.00 O ATOM 2152 CB PHE A 169 124.597 -0.753 -0.970 1.00 0.00 C ATOM 2153 CG PHE A 169 125.752 -0.139 -1.730 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.571 0.292 -3.050 1.00 0.00 C ATOM 2155 CD2 PHE A 169 127.002 -0.002 -1.113 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.641 0.859 -3.754 1.00 0.00 C ATOM 2157 CE2 PHE A 169 128.071 0.565 -1.818 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.890 0.996 -3.138 1.00 0.00 C ATOM 0 H PHE A 169 126.701 -2.643 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 169 123.762 -2.745 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.655 -0.338 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.674 -0.502 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.607 0.187 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 169 127.141 -0.333 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.502 1.191 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 169 129.035 0.670 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.715 1.434 -3.681 1.00 0.00 H new ATOM 2168 N VAL A 170 123.246 -2.654 -3.137 1.00 0.00 N ATOM 2169 CA VAL A 170 123.028 -3.013 -4.574 1.00 0.00 C ATOM 2170 C VAL A 170 122.813 -1.741 -5.414 1.00 0.00 C ATOM 2171 O VAL A 170 122.195 -0.803 -4.949 1.00 0.00 O ATOM 2172 CB VAL A 170 121.762 -3.880 -4.591 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.487 -4.348 -6.022 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.953 -5.106 -3.693 1.00 0.00 C ATOM 0 H VAL A 170 122.400 -2.419 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 170 123.885 -3.537 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 170 120.923 -3.290 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.588 -4.964 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 170 121.343 -3.481 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.333 -4.932 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 170 121.049 -5.715 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.795 -5.695 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.151 -4.781 -2.671 1.00 0.00 H new ATOM 2184 N PRO A 171 123.324 -1.740 -6.630 1.00 0.00 N ATOM 2185 CA PRO A 171 123.160 -0.555 -7.510 1.00 0.00 C ATOM 2186 C PRO A 171 121.733 -0.498 -8.069 1.00 0.00 C ATOM 2187 O PRO A 171 120.987 -1.455 -7.988 1.00 0.00 O ATOM 2188 CB PRO A 171 124.170 -0.792 -8.628 1.00 0.00 C ATOM 2189 CG PRO A 171 124.367 -2.274 -8.674 1.00 0.00 C ATOM 2190 CD PRO A 171 124.089 -2.810 -7.292 1.00 0.00 C ATOM 0 HA PRO A 171 123.323 0.389 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.798 -0.415 -9.581 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.109 -0.276 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.696 -2.728 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.384 -2.516 -8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.519 -3.738 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.013 -3.027 -6.757 1.00 0.00 H new ATOM 2198 N VAL A 172 121.353 0.621 -8.634 1.00 0.00 N ATOM 2199 CA VAL A 172 119.973 0.754 -9.199 1.00 0.00 C ATOM 2200 C VAL A 172 119.942 0.285 -10.662 1.00 0.00 C ATOM 2201 O VAL A 172 118.911 -0.122 -11.164 1.00 0.00 O ATOM 2202 CB VAL A 172 119.644 2.250 -9.103 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.248 2.514 -9.676 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.672 2.686 -7.636 1.00 0.00 C ATOM 0 H VAL A 172 121.939 1.450 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 172 119.249 0.143 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 172 120.383 2.814 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.021 3.578 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.219 2.206 -10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.509 1.946 -9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.438 3.748 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.934 2.115 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.664 2.505 -7.222 1.00 0.00 H new ATOM 2214 N GLU A 173 121.056 0.350 -11.348 1.00 0.00 N ATOM 2215 CA GLU A 173 121.084 -0.082 -12.782 1.00 0.00 C ATOM 2216 C GLU A 173 120.665 -1.552 -12.911 1.00 0.00 C ATOM 2217 O GLU A 173 120.058 -1.949 -13.889 1.00 0.00 O ATOM 2218 CB GLU A 173 122.531 0.120 -13.244 1.00 0.00 C ATOM 2219 CG GLU A 173 123.472 -0.744 -12.412 1.00 0.00 C ATOM 2220 CD GLU A 173 124.877 -0.140 -12.431 1.00 0.00 C ATOM 2221 OE1 GLU A 173 125.345 0.254 -11.374 1.00 0.00 O ATOM 2222 OE2 GLU A 173 125.460 -0.081 -13.500 1.00 0.00 O ATOM 0 H GLU A 173 121.947 0.683 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 173 120.387 0.493 -13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.624 -0.139 -14.299 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.808 1.170 -13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 173 123.108 -0.812 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 173 123.496 -1.759 -12.809 1.00 0.00 H new ATOM 2229 N SER A 174 120.983 -2.358 -11.931 1.00 0.00 N ATOM 2230 CA SER A 174 120.603 -3.805 -11.990 1.00 0.00 C ATOM 2231 C SER A 174 119.083 -3.967 -11.857 1.00 0.00 C ATOM 2232 O SER A 174 118.520 -4.961 -12.276 1.00 0.00 O ATOM 2233 CB SER A 174 121.318 -4.457 -10.805 1.00 0.00 C ATOM 2234 OG SER A 174 121.376 -5.862 -11.010 1.00 0.00 O ATOM 0 H SER A 174 121.490 -2.078 -11.091 1.00 0.00 H new ATOM 0 HA SER A 174 120.887 -4.262 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.324 -4.050 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.789 -4.234 -9.878 1.00 0.00 H new ATOM 0 HG SER A 174 122.295 -6.175 -10.874 1.00 0.00 H new ATOM 2240 N MET A 175 118.416 -3.000 -11.275 1.00 0.00 N ATOM 2241 CA MET A 175 116.932 -3.096 -11.112 1.00 0.00 C ATOM 2242 C MET A 175 116.246 -3.134 -12.480 1.00 0.00 C ATOM 2243 O MET A 175 115.168 -3.681 -12.628 1.00 0.00 O ATOM 2244 CB MET A 175 116.524 -1.835 -10.347 1.00 0.00 C ATOM 2245 CG MET A 175 117.169 -1.847 -8.960 1.00 0.00 C ATOM 2246 SD MET A 175 116.448 -3.181 -7.971 1.00 0.00 S ATOM 2247 CE MET A 175 117.939 -4.196 -7.841 1.00 0.00 C ATOM 0 H MET A 175 118.836 -2.147 -10.905 1.00 0.00 H new ATOM 0 HA MET A 175 116.641 -4.004 -10.584 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.836 -0.947 -10.897 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.439 -1.788 -10.255 1.00 0.00 H new ATOM 0 HG2 MET A 175 118.246 -1.987 -9.049 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.012 -0.888 -8.466 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.686 -5.160 -7.400 1.00 0.00 H new ATOM 0 HE2 MET A 175 118.361 -4.351 -8.834 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.670 -3.690 -7.211 1.00 0.00 H new ATOM 2257 N GLU A 176 116.857 -2.547 -13.480 1.00 0.00 N ATOM 2258 CA GLU A 176 116.240 -2.533 -14.844 1.00 0.00 C ATOM 2259 C GLU A 176 115.973 -3.962 -15.332 1.00 0.00 C ATOM 2260 O GLU A 176 114.884 -4.277 -15.775 1.00 0.00 O ATOM 2261 CB GLU A 176 117.270 -1.847 -15.745 1.00 0.00 C ATOM 2262 CG GLU A 176 116.697 -1.694 -17.155 1.00 0.00 C ATOM 2263 CD GLU A 176 117.727 -1.007 -18.056 1.00 0.00 C ATOM 2264 OE1 GLU A 176 117.768 -1.334 -19.231 1.00 0.00 O ATOM 2265 OE2 GLU A 176 118.453 -0.164 -17.557 1.00 0.00 O ATOM 0 H GLU A 176 117.759 -2.076 -13.411 1.00 0.00 H new ATOM 0 HA GLU A 176 115.281 -2.014 -14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.530 -0.869 -15.339 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.188 -2.433 -15.776 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.438 -2.672 -17.561 1.00 0.00 H new ATOM 0 HG3 GLU A 176 115.778 -1.108 -17.124 1.00 0.00 H new ATOM 2272 N THR A 177 116.956 -4.824 -15.254 1.00 0.00 N ATOM 2273 CA THR A 177 116.758 -6.234 -15.716 1.00 0.00 C ATOM 2274 C THR A 177 115.818 -6.985 -14.763 1.00 0.00 C ATOM 2275 O THR A 177 115.193 -7.958 -15.143 1.00 0.00 O ATOM 2276 CB THR A 177 118.154 -6.870 -15.718 1.00 0.00 C ATOM 2277 OG1 THR A 177 118.044 -8.236 -16.093 1.00 0.00 O ATOM 2278 CG2 THR A 177 118.782 -6.775 -14.325 1.00 0.00 C ATOM 0 H THR A 177 117.886 -4.614 -14.891 1.00 0.00 H new ATOM 0 HA THR A 177 116.300 -6.275 -16.704 1.00 0.00 H new ATOM 0 HB THR A 177 118.787 -6.338 -16.428 1.00 0.00 H new ATOM 0 HG1 THR A 177 118.934 -8.647 -16.097 1.00 0.00 H new ATOM 0 HG21 THR A 177 119.772 -7.230 -14.341 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.868 -5.728 -14.035 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.153 -7.300 -13.606 1.00 0.00 H new ATOM 2286 N THR A 178 115.711 -6.541 -13.534 1.00 0.00 N ATOM 2287 CA THR A 178 114.808 -7.229 -12.561 1.00 0.00 C ATOM 2288 C THR A 178 113.341 -6.953 -12.912 1.00 0.00 C ATOM 2289 O THR A 178 112.478 -7.786 -12.707 1.00 0.00 O ATOM 2290 CB THR A 178 115.152 -6.631 -11.193 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.533 -6.827 -10.929 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.321 -7.317 -10.108 1.00 0.00 C ATOM 0 H THR A 178 116.210 -5.732 -13.164 1.00 0.00 H new ATOM 0 HA THR A 178 114.943 -8.311 -12.575 1.00 0.00 H new ATOM 0 HB THR A 178 114.928 -5.564 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 178 117.056 -6.144 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.568 -6.890 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.261 -7.167 -10.312 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.541 -8.385 -10.101 1.00 0.00 H new ATOM 2300 N MET A 179 113.058 -5.788 -13.439 1.00 0.00 N ATOM 2301 CA MET A 179 111.647 -5.446 -13.805 1.00 0.00 C ATOM 2302 C MET A 179 111.108 -6.438 -14.841 1.00 0.00 C ATOM 2303 O MET A 179 109.950 -6.809 -14.812 1.00 0.00 O ATOM 2304 CB MET A 179 111.714 -4.038 -14.400 1.00 0.00 C ATOM 2305 CG MET A 179 111.991 -3.025 -13.287 1.00 0.00 C ATOM 2306 SD MET A 179 112.179 -1.375 -14.008 1.00 0.00 S ATOM 2307 CE MET A 179 110.472 -1.173 -14.571 1.00 0.00 C ATOM 0 H MET A 179 113.743 -5.057 -13.632 1.00 0.00 H new ATOM 0 HA MET A 179 110.981 -5.493 -12.943 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.499 -3.988 -15.155 1.00 0.00 H new ATOM 0 HB3 MET A 179 110.775 -3.798 -14.899 1.00 0.00 H new ATOM 0 HG2 MET A 179 111.173 -3.028 -12.566 1.00 0.00 H new ATOM 0 HG3 MET A 179 112.895 -3.302 -12.745 1.00 0.00 H new ATOM 0 HE1 MET A 179 110.212 -0.115 -14.571 1.00 0.00 H new ATOM 0 HE2 MET A 179 110.372 -1.571 -15.581 1.00 0.00 H new ATOM 0 HE3 MET A 179 109.802 -1.711 -13.901 1.00 0.00 H new ATOM 2317 N ARG A 180 111.941 -6.866 -15.755 1.00 0.00 N ATOM 2318 CA ARG A 180 111.482 -7.835 -16.801 1.00 0.00 C ATOM 2319 C ARG A 180 110.981 -9.127 -16.145 1.00 0.00 C ATOM 2320 O ARG A 180 109.994 -9.701 -16.565 1.00 0.00 O ATOM 2321 CB ARG A 180 112.716 -8.115 -17.662 1.00 0.00 C ATOM 2322 CG ARG A 180 112.300 -8.899 -18.909 1.00 0.00 C ATOM 2323 CD ARG A 180 113.481 -8.984 -19.879 1.00 0.00 C ATOM 2324 NE ARG A 180 113.005 -9.867 -20.980 1.00 0.00 N ATOM 2325 CZ ARG A 180 113.512 -9.749 -22.177 1.00 0.00 C ATOM 2326 NH1 ARG A 180 113.215 -8.713 -22.913 1.00 0.00 N ATOM 2327 NH2 ARG A 180 114.315 -10.668 -22.640 1.00 0.00 N ATOM 0 H ARG A 180 112.920 -6.587 -15.824 1.00 0.00 H new ATOM 0 HA ARG A 180 110.657 -7.438 -17.392 1.00 0.00 H new ATOM 0 HB2 ARG A 180 113.192 -7.178 -17.950 1.00 0.00 H new ATOM 0 HB3 ARG A 180 113.450 -8.683 -17.091 1.00 0.00 H new ATOM 0 HG2 ARG A 180 111.973 -9.901 -18.629 1.00 0.00 H new ATOM 0 HG3 ARG A 180 111.454 -8.411 -19.392 1.00 0.00 H new ATOM 0 HD2 ARG A 180 113.757 -7.998 -20.254 1.00 0.00 H new ATOM 0 HD3 ARG A 180 114.364 -9.399 -19.392 1.00 0.00 H new ATOM 0 HE ARG A 180 112.283 -10.564 -20.799 1.00 0.00 H new ATOM 0 HH11 ARG A 180 112.586 -7.995 -22.553 1.00 0.00 H new ATOM 0 HH12 ARG A 180 113.612 -8.621 -23.848 1.00 0.00 H new ATOM 0 HH21 ARG A 180 114.547 -11.479 -22.066 1.00 0.00 H new ATOM 0 HH22 ARG A 180 114.711 -10.575 -23.575 1.00 0.00 H new ATOM 2341 N ALA A 181 111.654 -9.583 -15.120 1.00 0.00 N ATOM 2342 CA ALA A 181 111.221 -10.838 -14.431 1.00 0.00 C ATOM 2343 C ALA A 181 110.075 -10.537 -13.459 1.00 0.00 C ATOM 2344 O ALA A 181 109.391 -11.427 -12.996 1.00 0.00 O ATOM 2345 CB ALA A 181 112.455 -11.321 -13.670 1.00 0.00 C ATOM 0 H ALA A 181 112.486 -9.141 -14.729 1.00 0.00 H new ATOM 0 HA ALA A 181 110.856 -11.589 -15.132 1.00 0.00 H new ATOM 0 HB1 ALA A 181 112.217 -12.241 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 181 113.266 -11.509 -14.374 1.00 0.00 H new ATOM 0 HB3 ALA A 181 112.764 -10.558 -12.956 1.00 0.00 H new