USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1072 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 103 GLN : amide:sc= -0.241 K(o=-0.37,f=-1.5) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.124 K(o=-0.37,f=-3.7!) USER MOD Set 2.1: A 39 SER OG : rot 113:sc= -0.461 USER MOD Set 2.2: A 68 TYR OH : rot -25:sc= -0.811 USER MOD Set 3.1: A 34 HIS : no HD1:sc= -1.7! C(o=-1.4!,f=-5.5!) USER MOD Set 3.2: A 143 SER OG : rot -95:sc= 0.33 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 54:sc= 0.584 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 155:sc= -0.0775 (180deg=-0.816) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.137 F(o=-1.8,f=-0.14) USER MOD Single : A 53 ASN : amide:sc= -0.655 K(o=-0.65,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -179:sc= -3.25 (180deg=-3.29) USER MOD Single : A 58 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -4.32! C(o=-4.3!,f=-9.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -3! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0397 USER MOD Single : A 98 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.15) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc=-0.00817 K(o=-0.0082,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ -124:sc= 0.288 (180deg=-1.34) USER MOD Single : A 111 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= -0.0853 (180deg=-0.924) USER MOD Single : A 122 MET CE :methyl -149:sc= -0.0904 (180deg=-0.844) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN :FLIP amide:sc= -4.65! C(o=-6.1!,f=-4.7!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 144 LYS NZ :NH3+ 170:sc= 0.047 (180deg=-0.00617) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.669 13.844 -4.834 1.00 0.00 N ATOM 142 CA THR A 9 105.861 14.827 -5.932 1.00 0.00 C ATOM 143 C THR A 9 107.308 14.740 -6.424 1.00 0.00 C ATOM 144 O THR A 9 108.158 14.168 -5.768 1.00 0.00 O ATOM 145 CB THR A 9 105.573 16.200 -5.307 1.00 0.00 C ATOM 146 OG1 THR A 9 106.554 16.490 -4.322 1.00 0.00 O ATOM 147 CG2 THR A 9 104.182 16.206 -4.659 1.00 0.00 C ATOM 0 HA THR A 9 105.209 14.645 -6.787 1.00 0.00 H new ATOM 0 HB THR A 9 105.604 16.958 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.370 17.367 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.990 17.185 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.427 15.993 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.140 15.444 -3.881 1.00 0.00 H new ATOM 155 N ALA A 10 107.602 15.290 -7.568 1.00 0.00 N ATOM 156 CA ALA A 10 109.000 15.218 -8.086 1.00 0.00 C ATOM 157 C ALA A 10 109.972 15.770 -7.039 1.00 0.00 C ATOM 158 O ALA A 10 111.056 15.260 -6.849 1.00 0.00 O ATOM 159 CB ALA A 10 108.997 16.091 -9.340 1.00 0.00 C ATOM 0 H ALA A 10 106.940 15.785 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 10 109.316 14.198 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.992 16.093 -9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.279 15.694 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.717 17.110 -9.073 1.00 0.00 H new ATOM 165 N GLU A 11 109.576 16.789 -6.335 1.00 0.00 N ATOM 166 CA GLU A 11 110.460 17.357 -5.277 1.00 0.00 C ATOM 167 C GLU A 11 110.757 16.306 -4.206 1.00 0.00 C ATOM 168 O GLU A 11 111.879 16.144 -3.770 1.00 0.00 O ATOM 169 CB GLU A 11 109.633 18.478 -4.657 1.00 0.00 C ATOM 170 CG GLU A 11 109.455 19.615 -5.665 1.00 0.00 C ATOM 171 CD GLU A 11 108.497 20.673 -5.101 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.962 20.456 -4.025 1.00 0.00 O ATOM 173 OE2 GLU A 11 108.320 21.688 -5.756 1.00 0.00 O1- ATOM 0 H GLU A 11 108.676 17.257 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 11 111.415 17.695 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.659 18.096 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 11 110.126 18.851 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.421 20.069 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 11 109.064 19.222 -6.603 1.00 0.00 H new ATOM 180 N GLU A 12 109.754 15.602 -3.767 1.00 0.00 N ATOM 181 CA GLU A 12 109.967 14.576 -2.710 1.00 0.00 C ATOM 182 C GLU A 12 110.759 13.382 -3.261 1.00 0.00 C ATOM 183 O GLU A 12 111.691 12.905 -2.645 1.00 0.00 O ATOM 184 CB GLU A 12 108.553 14.153 -2.311 1.00 0.00 C ATOM 185 CG GLU A 12 107.818 15.353 -1.698 1.00 0.00 C ATOM 186 CD GLU A 12 106.359 14.986 -1.400 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.982 13.857 -1.665 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.640 15.848 -0.916 1.00 0.00 O ATOM 0 H GLU A 12 108.793 15.693 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 12 110.543 14.957 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.011 13.787 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.595 13.333 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.317 15.664 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.855 16.200 -2.383 1.00 0.00 H new ATOM 195 N GLU A 13 110.401 12.902 -4.423 1.00 0.00 N ATOM 196 CA GLU A 13 111.137 11.746 -5.024 1.00 0.00 C ATOM 197 C GLU A 13 112.588 12.137 -5.329 1.00 0.00 C ATOM 198 O GLU A 13 113.500 11.347 -5.188 1.00 0.00 O ATOM 199 CB GLU A 13 110.384 11.449 -6.324 1.00 0.00 C ATOM 200 CG GLU A 13 108.975 10.936 -5.999 1.00 0.00 C ATOM 201 CD GLU A 13 108.173 10.733 -7.292 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.703 11.015 -8.354 1.00 0.00 O ATOM 203 OE2 GLU A 13 107.037 10.292 -7.196 1.00 0.00 O1- ATOM 0 H GLU A 13 109.629 13.260 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 13 111.176 10.885 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.322 12.350 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.926 10.706 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.040 9.996 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.462 11.647 -5.352 1.00 0.00 H new ATOM 210 N LYS A 14 112.809 13.345 -5.760 1.00 0.00 N ATOM 211 CA LYS A 14 114.201 13.777 -6.078 1.00 0.00 C ATOM 212 C LYS A 14 115.087 13.829 -4.824 1.00 0.00 C ATOM 213 O LYS A 14 116.221 13.393 -4.844 1.00 0.00 O ATOM 214 CB LYS A 14 114.049 15.163 -6.700 1.00 0.00 C ATOM 215 CG LYS A 14 113.537 15.010 -8.132 1.00 0.00 C ATOM 216 CD LYS A 14 113.294 16.388 -8.742 1.00 0.00 C ATOM 217 CE LYS A 14 112.772 16.222 -10.171 1.00 0.00 C ATOM 218 NZ LYS A 14 112.558 17.609 -10.666 1.00 0.00 N1+ ATOM 0 H LYS A 14 112.089 14.053 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 14 114.693 13.073 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.355 15.765 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 14 115.006 15.685 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 14 114.263 14.459 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 14 112.614 14.431 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 14 112.573 16.943 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.218 16.966 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 14 113.489 15.687 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 14 111.845 15.649 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 112.200 17.578 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 111.866 18.092 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 113.459 18.128 -10.644 1.00 0.00 H new ATOM 232 N ALA A 15 114.595 14.366 -3.735 1.00 0.00 N ATOM 233 CA ALA A 15 115.439 14.446 -2.503 1.00 0.00 C ATOM 234 C ALA A 15 115.765 13.047 -1.965 1.00 0.00 C ATOM 235 O ALA A 15 116.890 12.767 -1.599 1.00 0.00 O ATOM 236 CB ALA A 15 114.611 15.238 -1.491 1.00 0.00 C ATOM 0 H ALA A 15 113.654 14.749 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 15 116.397 14.926 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.170 15.336 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.397 16.229 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.674 14.715 -1.298 1.00 0.00 H new ATOM 242 N ILE A 16 114.801 12.163 -1.908 1.00 0.00 N ATOM 243 CA ILE A 16 115.093 10.796 -1.386 1.00 0.00 C ATOM 244 C ILE A 16 116.051 10.070 -2.333 1.00 0.00 C ATOM 245 O ILE A 16 116.918 9.330 -1.908 1.00 0.00 O ATOM 246 CB ILE A 16 113.740 10.088 -1.291 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.937 8.727 -0.624 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.150 9.899 -2.686 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.595 8.205 -0.112 1.00 0.00 C ATOM 0 H ILE A 16 113.836 12.326 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 16 115.581 10.819 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 16 113.053 10.693 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.365 8.021 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.643 8.815 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.187 9.394 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.013 10.872 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.828 9.296 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.739 7.235 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.185 8.907 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.903 8.101 -0.947 1.00 0.00 H new ATOM 261 N VAL A 17 115.933 10.309 -3.610 1.00 0.00 N ATOM 262 CA VAL A 17 116.871 9.671 -4.575 1.00 0.00 C ATOM 263 C VAL A 17 118.284 10.188 -4.279 1.00 0.00 C ATOM 264 O VAL A 17 119.254 9.458 -4.336 1.00 0.00 O ATOM 265 CB VAL A 17 116.398 10.122 -5.968 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.441 9.745 -7.028 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.077 9.429 -6.309 1.00 0.00 C ATOM 0 H VAL A 17 115.228 10.918 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 17 116.887 8.583 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 17 116.263 11.204 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 17 117.096 10.069 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.388 10.234 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.582 8.664 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.742 9.749 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.222 8.349 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.324 9.695 -5.567 1.00 0.00 H new ATOM 277 N ASP A 18 118.399 11.453 -3.989 1.00 0.00 N ATOM 278 CA ASP A 18 119.742 12.028 -3.716 1.00 0.00 C ATOM 279 C ASP A 18 120.339 11.361 -2.474 1.00 0.00 C ATOM 280 O ASP A 18 121.526 11.110 -2.402 1.00 0.00 O ATOM 281 CB ASP A 18 119.505 13.521 -3.495 1.00 0.00 C ATOM 282 CG ASP A 18 119.477 14.256 -4.841 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.763 13.630 -5.850 1.00 0.00 O ATOM 284 OD2 ASP A 18 119.152 15.432 -4.840 1.00 0.00 O1- ATOM 0 H ASP A 18 117.622 12.111 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 18 120.448 11.865 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.563 13.673 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.292 13.932 -2.864 1.00 0.00 H new ATOM 289 N ALA A 19 119.524 11.059 -1.501 1.00 0.00 N ATOM 290 CA ALA A 19 120.055 10.390 -0.281 1.00 0.00 C ATOM 291 C ALA A 19 120.624 9.026 -0.672 1.00 0.00 C ATOM 292 O ALA A 19 121.654 8.604 -0.182 1.00 0.00 O ATOM 293 CB ALA A 19 118.853 10.231 0.650 1.00 0.00 C ATOM 0 H ALA A 19 118.521 11.245 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 19 120.852 10.956 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.169 9.744 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.440 11.213 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.092 9.623 0.161 1.00 0.00 H new ATOM 299 N ILE A 20 119.969 8.343 -1.574 1.00 0.00 N ATOM 300 CA ILE A 20 120.477 7.013 -2.019 1.00 0.00 C ATOM 301 C ILE A 20 121.841 7.201 -2.684 1.00 0.00 C ATOM 302 O ILE A 20 122.776 6.462 -2.445 1.00 0.00 O ATOM 303 CB ILE A 20 119.446 6.514 -3.041 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.122 6.215 -2.334 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.952 5.239 -3.728 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.336 5.134 -1.271 1.00 0.00 C ATOM 0 H ILE A 20 119.105 8.649 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 20 120.600 6.307 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 20 119.295 7.289 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.733 7.122 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.379 5.883 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.211 4.896 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.889 5.450 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.116 4.463 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.391 4.924 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.705 4.225 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 119.065 5.482 -0.539 1.00 0.00 H new ATOM 318 N ARG A 21 121.957 8.200 -3.508 1.00 0.00 N ATOM 319 CA ARG A 21 123.250 8.462 -4.188 1.00 0.00 C ATOM 320 C ARG A 21 124.337 8.749 -3.151 1.00 0.00 C ATOM 321 O ARG A 21 125.452 8.273 -3.251 1.00 0.00 O ATOM 322 CB ARG A 21 122.981 9.701 -5.046 1.00 0.00 C ATOM 323 CG ARG A 21 122.072 9.318 -6.222 1.00 0.00 C ATOM 324 CD ARG A 21 121.712 10.569 -7.033 1.00 0.00 C ATOM 325 NE ARG A 21 120.889 10.065 -8.169 1.00 0.00 N ATOM 326 CZ ARG A 21 120.342 10.904 -9.009 1.00 0.00 C ATOM 327 NH1 ARG A 21 119.572 11.865 -8.572 1.00 0.00 N ATOM 328 NH2 ARG A 21 120.562 10.780 -10.291 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.206 8.850 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 21 123.597 7.616 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.509 10.478 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.920 10.111 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.576 8.592 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.165 8.841 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.155 11.285 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.606 11.080 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 21 120.752 9.062 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.396 11.963 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 21 119.147 12.518 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 121.160 10.029 -10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 21 120.136 11.434 -10.947 1.00 0.00 H new ATOM 342 N ASP A 22 124.023 9.536 -2.158 1.00 0.00 N ATOM 343 CA ASP A 22 125.039 9.870 -1.115 1.00 0.00 C ATOM 344 C ASP A 22 125.453 8.625 -0.324 1.00 0.00 C ATOM 345 O ASP A 22 126.608 8.461 0.021 1.00 0.00 O ATOM 346 CB ASP A 22 124.350 10.872 -0.186 1.00 0.00 C ATOM 347 CG ASP A 22 125.320 11.330 0.911 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.423 10.810 0.963 1.00 0.00 O ATOM 349 OD2 ASP A 22 124.940 12.192 1.689 1.00 0.00 O1- ATOM 0 H ASP A 22 123.107 9.963 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 22 125.947 10.273 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 22 124.005 11.733 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.469 10.415 0.265 1.00 0.00 H new ATOM 354 N ALA A 23 124.526 7.754 -0.015 1.00 0.00 N ATOM 355 CA ALA A 23 124.900 6.542 0.773 1.00 0.00 C ATOM 356 C ALA A 23 125.867 5.679 -0.040 1.00 0.00 C ATOM 357 O ALA A 23 126.816 5.131 0.486 1.00 0.00 O ATOM 358 CB ALA A 23 123.594 5.803 1.051 1.00 0.00 C ATOM 0 H ALA A 23 123.541 7.827 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 23 125.404 6.794 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.802 4.902 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.923 6.450 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.123 5.529 0.107 1.00 0.00 H new ATOM 364 N GLU A 24 125.649 5.564 -1.325 1.00 0.00 N ATOM 365 CA GLU A 24 126.578 4.750 -2.163 1.00 0.00 C ATOM 366 C GLU A 24 128.001 5.326 -2.087 1.00 0.00 C ATOM 367 O GLU A 24 128.967 4.651 -2.382 1.00 0.00 O ATOM 368 CB GLU A 24 126.024 4.846 -3.587 1.00 0.00 C ATOM 369 CG GLU A 24 124.678 4.115 -3.673 1.00 0.00 C ATOM 370 CD GLU A 24 124.056 4.317 -5.061 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.663 4.995 -5.875 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 122.978 3.788 -5.287 1.00 0.00 O ATOM 0 H GLU A 24 124.873 5.996 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 24 126.640 3.715 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.899 5.892 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.731 4.409 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.820 3.052 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.002 4.490 -2.905 1.00 0.00 H new ATOM 379 N LYS A 25 128.139 6.554 -1.652 1.00 0.00 N ATOM 380 CA LYS A 25 129.494 7.139 -1.511 1.00 0.00 C ATOM 381 C LYS A 25 130.004 6.932 -0.067 1.00 0.00 C ATOM 382 O LYS A 25 131.131 7.261 0.251 1.00 0.00 O ATOM 383 CB LYS A 25 129.312 8.613 -1.848 1.00 0.00 C ATOM 384 CG LYS A 25 128.921 8.741 -3.317 1.00 0.00 C ATOM 385 CD LYS A 25 128.630 10.202 -3.633 1.00 0.00 C ATOM 386 CE LYS A 25 128.242 10.339 -5.106 1.00 0.00 C ATOM 387 NZ LYS A 25 127.954 11.787 -5.292 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.369 7.170 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 25 130.235 6.676 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.542 9.052 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.235 9.160 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.726 8.372 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.043 8.130 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.823 10.569 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.507 10.813 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.050 10.009 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.371 9.729 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.680 11.962 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.177 12.070 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.804 12.342 -5.065 1.00 0.00 H new ATOM 401 N ASN A 26 129.193 6.365 0.804 1.00 0.00 N ATOM 402 CA ASN A 26 129.642 6.103 2.202 1.00 0.00 C ATOM 403 C ASN A 26 129.870 4.592 2.405 1.00 0.00 C ATOM 404 O ASN A 26 130.490 4.172 3.363 1.00 0.00 O ATOM 405 CB ASN A 26 128.477 6.569 3.081 1.00 0.00 C ATOM 406 CG ASN A 26 128.243 8.068 2.895 1.00 0.00 C ATOM 407 OD1 ASN A 26 127.121 8.503 2.728 1.00 0.00 O ATOM 408 ND2 ASN A 26 129.259 8.884 2.924 1.00 0.00 N ATOM 0 H ASN A 26 128.237 6.074 0.598 1.00 0.00 H new ATOM 0 HA ASN A 26 130.575 6.614 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.573 6.017 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.693 6.354 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 26 129.112 9.886 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 26 130.202 8.520 3.064 1.00 0.00 H new ATOM 415 N THR A 27 129.365 3.769 1.509 1.00 0.00 N ATOM 416 CA THR A 27 129.544 2.292 1.647 1.00 0.00 C ATOM 417 C THR A 27 129.504 1.631 0.256 1.00 0.00 C ATOM 418 O THR A 27 128.969 2.182 -0.685 1.00 0.00 O ATOM 419 CB THR A 27 128.358 1.834 2.529 1.00 0.00 C ATOM 420 OG1 THR A 27 128.576 0.499 2.966 1.00 0.00 O ATOM 421 CG2 THR A 27 127.028 1.900 1.749 1.00 0.00 C ATOM 0 H THR A 27 128.836 4.063 0.688 1.00 0.00 H new ATOM 0 HA THR A 27 130.500 2.016 2.093 1.00 0.00 H new ATOM 0 HB THR A 27 128.293 2.504 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 27 129.454 0.435 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.212 1.573 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.846 2.925 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 27 127.085 1.249 0.877 1.00 0.00 H new ATOM 429 N SER A 28 130.017 0.438 0.132 1.00 0.00 N ATOM 430 CA SER A 28 129.944 -0.258 -1.185 1.00 0.00 C ATOM 431 C SER A 28 128.609 -1.025 -1.290 1.00 0.00 C ATOM 432 O SER A 28 128.261 -1.534 -2.338 1.00 0.00 O ATOM 433 CB SER A 28 131.119 -1.234 -1.210 1.00 0.00 C ATOM 434 OG SER A 28 130.819 -2.352 -0.384 1.00 0.00 O ATOM 0 H SER A 28 130.480 -0.082 0.878 1.00 0.00 H new ATOM 0 HA SER A 28 129.993 0.441 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.312 -1.563 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.025 -0.740 -0.858 1.00 0.00 H new ATOM 0 HG SER A 28 131.570 -2.981 -0.399 1.00 0.00 H new ATOM 440 N GLY A 29 127.853 -1.111 -0.213 1.00 0.00 N ATOM 441 CA GLY A 29 126.561 -1.835 -0.263 1.00 0.00 C ATOM 442 C GLY A 29 125.572 -1.051 -1.107 1.00 0.00 C ATOM 443 O GLY A 29 125.821 0.075 -1.493 1.00 0.00 O ATOM 0 H GLY A 29 128.087 -0.706 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.706 -2.830 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.168 -1.970 0.745 1.00 0.00 H new ATOM 447 N GLU A 30 124.452 -1.637 -1.401 1.00 0.00 N ATOM 448 CA GLU A 30 123.450 -0.916 -2.232 1.00 0.00 C ATOM 449 C GLU A 30 122.057 -0.985 -1.608 1.00 0.00 C ATOM 450 O GLU A 30 121.622 -2.012 -1.125 1.00 0.00 O ATOM 451 CB GLU A 30 123.471 -1.612 -3.589 1.00 0.00 C ATOM 452 CG GLU A 30 124.831 -1.392 -4.252 1.00 0.00 C ATOM 453 CD GLU A 30 125.048 0.104 -4.492 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.070 0.834 -4.494 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.190 0.494 -4.669 1.00 0.00 O ATOM 0 H GLU A 30 124.185 -2.576 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 30 123.691 0.144 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.282 -2.678 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.677 -1.219 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.624 -1.788 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.878 -1.933 -5.197 1.00 0.00 H new ATOM 462 N ILE A 31 121.363 0.117 -1.617 1.00 0.00 N ATOM 463 CA ILE A 31 119.995 0.166 -1.033 1.00 0.00 C ATOM 464 C ILE A 31 118.989 0.596 -2.104 1.00 0.00 C ATOM 465 O ILE A 31 119.209 1.545 -2.830 1.00 0.00 O ATOM 466 CB ILE A 31 120.087 1.212 0.079 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.044 0.715 1.165 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.703 1.440 0.690 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.352 1.858 2.134 1.00 0.00 C ATOM 0 H ILE A 31 121.691 0.999 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 31 119.661 -0.800 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 31 120.457 2.149 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.598 -0.122 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.966 0.349 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.773 2.186 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.018 1.793 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.330 0.504 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.034 1.505 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.815 2.681 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.427 2.203 2.595 1.00 0.00 H new ATOM 481 N ARG A 32 117.878 -0.082 -2.198 1.00 0.00 N ATOM 482 CA ARG A 32 116.851 0.303 -3.211 1.00 0.00 C ATOM 483 C ARG A 32 115.460 0.234 -2.584 1.00 0.00 C ATOM 484 O ARG A 32 115.215 -0.519 -1.663 1.00 0.00 O ATOM 485 CB ARG A 32 116.983 -0.700 -4.353 1.00 0.00 C ATOM 486 CG ARG A 32 116.031 -0.309 -5.487 1.00 0.00 C ATOM 487 CD ARG A 32 116.255 -1.244 -6.675 1.00 0.00 C ATOM 488 NE ARG A 32 115.450 -0.665 -7.784 1.00 0.00 N ATOM 489 CZ ARG A 32 115.441 -1.248 -8.950 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.396 -1.006 -9.807 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 114.491 -2.088 -9.255 1.00 0.00 N ATOM 0 H ARG A 32 117.636 -0.886 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 32 116.996 1.321 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.010 -0.720 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.751 -1.704 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.997 -0.373 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.206 0.725 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.311 -1.297 -6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.933 -2.259 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 32 114.907 0.185 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 32 117.148 -0.361 -9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 32 116.390 -1.462 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 32 113.753 -2.290 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 32 114.486 -2.543 -10.168 1.00 0.00 H new ATOM 505 N VAL A 33 114.556 1.039 -3.065 1.00 0.00 N ATOM 506 CA VAL A 33 113.187 1.056 -2.487 1.00 0.00 C ATOM 507 C VAL A 33 112.136 0.734 -3.563 1.00 0.00 C ATOM 508 O VAL A 33 112.194 1.224 -4.674 1.00 0.00 O ATOM 509 CB VAL A 33 113.034 2.486 -1.946 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.579 2.757 -1.546 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.931 2.649 -0.717 1.00 0.00 C ATOM 0 H VAL A 33 114.708 1.688 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 33 113.041 0.306 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 33 113.322 3.193 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.490 3.774 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.934 2.638 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.277 2.052 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.830 3.661 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.634 1.932 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.969 2.470 -0.998 1.00 0.00 H new ATOM 521 N HIS A 34 111.163 -0.069 -3.219 1.00 0.00 N ATOM 522 CA HIS A 34 110.082 -0.420 -4.187 1.00 0.00 C ATOM 523 C HIS A 34 108.722 -0.041 -3.577 1.00 0.00 C ATOM 524 O HIS A 34 108.406 -0.405 -2.462 1.00 0.00 O ATOM 525 CB HIS A 34 110.198 -1.934 -4.396 1.00 0.00 C ATOM 526 CG HIS A 34 109.059 -2.420 -5.250 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.141 -2.478 -6.633 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.799 -2.865 -4.932 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.963 -2.939 -7.091 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.109 -3.191 -6.096 1.00 0.00 N ATOM 0 H HIS A 34 111.071 -0.501 -2.299 1.00 0.00 H new ATOM 0 HA HIS A 34 110.170 0.109 -5.136 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.149 -2.173 -4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.186 -2.445 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.404 -2.949 -3.931 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.736 -3.087 -8.136 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.156 -3.546 -6.172 1.00 0.00 H new ATOM 538 N LEU A 35 107.936 0.718 -4.295 1.00 0.00 N ATOM 539 CA LEU A 35 106.609 1.170 -3.765 1.00 0.00 C ATOM 540 C LEU A 35 105.439 0.567 -4.562 1.00 0.00 C ATOM 541 O LEU A 35 105.333 0.723 -5.764 1.00 0.00 O ATOM 542 CB LEU A 35 106.642 2.691 -3.947 1.00 0.00 C ATOM 543 CG LEU A 35 105.437 3.328 -3.256 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.486 3.003 -1.765 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.487 4.849 -3.447 1.00 0.00 C ATOM 0 H LEU A 35 108.156 1.048 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 35 106.456 0.858 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.565 3.095 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.635 2.938 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 35 104.516 2.937 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.629 3.455 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.458 1.922 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.406 3.400 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.628 5.306 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.406 5.240 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.462 5.083 -4.511 1.00 0.00 H new ATOM 557 N GLU A 36 104.530 -0.078 -3.865 1.00 0.00 N ATOM 558 CA GLU A 36 103.311 -0.661 -4.509 1.00 0.00 C ATOM 559 C GLU A 36 102.130 -0.491 -3.541 1.00 0.00 C ATOM 560 O GLU A 36 102.317 -0.238 -2.367 1.00 0.00 O ATOM 561 CB GLU A 36 103.611 -2.140 -4.763 1.00 0.00 C ATOM 562 CG GLU A 36 102.391 -2.794 -5.426 1.00 0.00 C ATOM 563 CD GLU A 36 102.660 -4.282 -5.675 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.643 -4.783 -5.159 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.872 -4.896 -6.380 1.00 0.00 O ATOM 0 H GLU A 36 104.585 -0.226 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 36 103.057 -0.171 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.487 -2.241 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.843 -2.643 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.515 -2.677 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.168 -2.294 -6.369 1.00 0.00 H new ATOM 572 N LYS A 37 100.918 -0.591 -4.024 1.00 0.00 N ATOM 573 CA LYS A 37 99.732 -0.387 -3.130 1.00 0.00 C ATOM 574 C LYS A 37 99.431 -1.588 -2.235 1.00 0.00 C ATOM 575 O LYS A 37 99.632 -1.541 -1.037 1.00 0.00 O ATOM 576 CB LYS A 37 98.557 -0.124 -4.064 1.00 0.00 C ATOM 577 CG LYS A 37 98.731 1.238 -4.728 1.00 0.00 C ATOM 578 CD LYS A 37 97.539 1.504 -5.642 1.00 0.00 C ATOM 579 CE LYS A 37 97.662 2.904 -6.242 1.00 0.00 C ATOM 580 NZ LYS A 37 96.481 3.040 -7.138 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.696 -0.805 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 37 99.927 0.438 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.499 -0.905 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.621 -0.151 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.806 2.019 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.657 1.261 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.502 0.758 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.609 1.418 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.659 3.669 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.594 3.016 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.493 3.977 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.515 2.303 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.609 2.935 -6.581 1.00 0.00 H new ATOM 594 N THR A 38 98.943 -2.661 -2.799 1.00 0.00 N ATOM 595 CA THR A 38 98.625 -3.852 -1.961 1.00 0.00 C ATOM 596 C THR A 38 99.023 -5.137 -2.686 1.00 0.00 C ATOM 597 O THR A 38 99.169 -5.172 -3.892 1.00 0.00 O ATOM 598 CB THR A 38 97.111 -3.809 -1.760 1.00 0.00 C ATOM 599 OG1 THR A 38 96.709 -4.925 -0.978 1.00 0.00 O ATOM 600 CG2 THR A 38 96.416 -3.870 -3.121 1.00 0.00 C ATOM 0 H THR A 38 98.752 -2.764 -3.796 1.00 0.00 H new ATOM 0 HA THR A 38 99.166 -3.838 -1.015 1.00 0.00 H new ATOM 0 HB THR A 38 96.837 -2.885 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.738 -4.899 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.336 -3.839 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.727 -3.019 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.689 -4.795 -3.628 1.00 0.00 H new ATOM 608 N SER A 39 99.200 -6.191 -1.942 1.00 0.00 N ATOM 609 CA SER A 39 99.589 -7.489 -2.548 1.00 0.00 C ATOM 610 C SER A 39 98.401 -8.457 -2.529 1.00 0.00 C ATOM 611 O SER A 39 97.444 -8.262 -1.807 1.00 0.00 O ATOM 612 CB SER A 39 100.707 -8.012 -1.644 1.00 0.00 C ATOM 613 OG SER A 39 101.796 -7.100 -1.664 1.00 0.00 O ATOM 0 H SER A 39 99.090 -6.207 -0.928 1.00 0.00 H new ATOM 0 HA SER A 39 99.904 -7.387 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.339 -8.134 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.035 -8.994 -1.984 1.00 0.00 H new ATOM 0 HG SER A 39 101.891 -6.684 -0.782 1.00 0.00 H new ATOM 619 N GLU A 40 98.471 -9.515 -3.282 1.00 0.00 N ATOM 620 CA GLU A 40 97.364 -10.517 -3.269 1.00 0.00 C ATOM 621 C GLU A 40 97.796 -11.781 -2.503 1.00 0.00 C ATOM 622 O GLU A 40 96.993 -12.642 -2.201 1.00 0.00 O ATOM 623 CB GLU A 40 97.093 -10.845 -4.740 1.00 0.00 C ATOM 624 CG GLU A 40 96.471 -9.628 -5.428 1.00 0.00 C ATOM 625 CD GLU A 40 96.300 -9.899 -6.929 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.726 -10.950 -7.382 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 95.749 -9.045 -7.603 1.00 0.00 O ATOM 0 H GLU A 40 99.246 -9.733 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 40 96.473 -10.133 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.022 -11.123 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.422 -11.701 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.504 -9.402 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.104 -8.753 -5.279 1.00 0.00 H new ATOM 634 N ILE A 41 99.066 -11.902 -2.188 1.00 0.00 N ATOM 635 CA ILE A 41 99.564 -13.098 -1.449 1.00 0.00 C ATOM 636 C ILE A 41 100.306 -12.633 -0.179 1.00 0.00 C ATOM 637 O ILE A 41 99.743 -11.911 0.627 1.00 0.00 O ATOM 638 CB ILE A 41 100.492 -13.810 -2.449 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.547 -12.826 -2.985 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.672 -14.345 -3.620 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.557 -13.589 -3.840 1.00 0.00 C ATOM 0 H ILE A 41 99.783 -11.213 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 41 98.776 -13.771 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 41 100.991 -14.634 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.067 -12.046 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.054 -12.331 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.332 -14.849 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.929 -15.052 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.169 -13.517 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.307 -12.896 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.044 -14.352 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.042 -14.063 -4.675 1.00 0.00 H new ATOM 653 N ASP A 42 101.560 -12.987 0.015 1.00 0.00 N ATOM 654 CA ASP A 42 102.278 -12.493 1.220 1.00 0.00 C ATOM 655 C ASP A 42 103.354 -11.499 0.791 1.00 0.00 C ATOM 656 O ASP A 42 104.010 -11.675 -0.215 1.00 0.00 O ATOM 657 CB ASP A 42 102.896 -13.723 1.873 1.00 0.00 C ATOM 658 CG ASP A 42 103.544 -13.312 3.193 1.00 0.00 C ATOM 659 OD1 ASP A 42 102.973 -12.479 3.874 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 104.603 -13.835 3.499 1.00 0.00 O ATOM 0 H ASP A 42 102.103 -13.588 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 42 101.617 -11.979 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 42 102.132 -14.480 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.639 -14.167 1.211 1.00 0.00 H new ATOM 665 N VAL A 43 103.528 -10.449 1.534 1.00 0.00 N ATOM 666 CA VAL A 43 104.549 -9.430 1.167 1.00 0.00 C ATOM 667 C VAL A 43 105.964 -10.022 1.230 1.00 0.00 C ATOM 668 O VAL A 43 106.781 -9.773 0.370 1.00 0.00 O ATOM 669 CB VAL A 43 104.378 -8.311 2.194 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.458 -7.249 1.985 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.998 -7.672 2.026 1.00 0.00 C ATOM 0 H VAL A 43 103.005 -10.249 2.386 1.00 0.00 H new ATOM 0 HA VAL A 43 104.417 -9.070 0.147 1.00 0.00 H new ATOM 0 HB VAL A 43 104.470 -8.726 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.333 -6.453 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.442 -7.702 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.370 -6.834 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.875 -6.874 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.908 -7.260 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.227 -8.427 2.179 1.00 0.00 H new ATOM 681 N PHE A 44 106.267 -10.788 2.243 1.00 0.00 N ATOM 682 CA PHE A 44 107.638 -11.369 2.342 1.00 0.00 C ATOM 683 C PHE A 44 107.954 -12.243 1.116 1.00 0.00 C ATOM 684 O PHE A 44 108.994 -12.089 0.504 1.00 0.00 O ATOM 685 CB PHE A 44 107.624 -12.200 3.626 1.00 0.00 C ATOM 686 CG PHE A 44 108.985 -12.815 3.839 1.00 0.00 C ATOM 687 CD1 PHE A 44 110.090 -11.993 4.093 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.143 -14.205 3.781 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.354 -12.561 4.286 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.408 -14.772 3.974 1.00 0.00 C ATOM 691 CZ PHE A 44 111.513 -13.950 4.228 1.00 0.00 C ATOM 0 H PHE A 44 105.631 -11.036 3.001 1.00 0.00 H new ATOM 0 HA PHE A 44 108.409 -10.599 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.360 -11.571 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.866 -12.981 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.967 -10.921 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.290 -14.839 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 44 112.207 -11.927 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.532 -15.844 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.488 -14.388 4.379 1.00 0.00 H new ATOM 701 N ASP A 45 107.066 -13.117 0.712 1.00 0.00 N ATOM 702 CA ASP A 45 107.344 -13.930 -0.514 1.00 0.00 C ATOM 703 C ASP A 45 107.301 -13.001 -1.728 1.00 0.00 C ATOM 704 O ASP A 45 108.093 -13.112 -2.641 1.00 0.00 O ATOM 705 CB ASP A 45 106.221 -14.968 -0.591 1.00 0.00 C ATOM 706 CG ASP A 45 106.572 -16.190 0.265 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.681 -16.243 0.774 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.723 -17.058 0.394 1.00 0.00 O1- ATOM 0 H ASP A 45 106.173 -13.302 1.169 1.00 0.00 H new ATOM 0 HA ASP A 45 108.319 -14.416 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.285 -14.529 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 45 106.067 -15.272 -1.626 1.00 0.00 H new ATOM 713 N ARG A 46 106.385 -12.075 -1.732 1.00 0.00 N ATOM 714 CA ARG A 46 106.289 -11.123 -2.870 1.00 0.00 C ATOM 715 C ARG A 46 107.587 -10.335 -3.020 1.00 0.00 C ATOM 716 O ARG A 46 108.085 -10.163 -4.115 1.00 0.00 O ATOM 717 CB ARG A 46 105.141 -10.187 -2.498 1.00 0.00 C ATOM 718 CG ARG A 46 104.909 -9.198 -3.639 1.00 0.00 C ATOM 719 CD ARG A 46 103.721 -8.299 -3.301 1.00 0.00 C ATOM 720 NE ARG A 46 103.644 -7.339 -4.433 1.00 0.00 N ATOM 721 CZ ARG A 46 102.997 -7.660 -5.515 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.791 -8.142 -5.435 1.00 0.00 N ATOM 723 NH2 ARG A 46 103.565 -7.511 -6.679 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.696 -11.937 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 46 106.119 -11.632 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.234 -10.762 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.376 -9.651 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.802 -8.594 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.719 -9.736 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.801 -8.876 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.871 -7.783 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 46 104.098 -6.429 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 46 101.352 -8.269 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.285 -8.393 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 46 104.515 -7.144 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 103.060 -7.762 -7.529 1.00 0.00 H new ATOM 737 N ALA A 47 108.152 -9.857 -1.944 1.00 0.00 N ATOM 738 CA ALA A 47 109.423 -9.094 -2.062 1.00 0.00 C ATOM 739 C ALA A 47 110.542 -10.014 -2.553 1.00 0.00 C ATOM 740 O ALA A 47 111.388 -9.616 -3.327 1.00 0.00 O ATOM 741 CB ALA A 47 109.719 -8.574 -0.658 1.00 0.00 C ATOM 0 H ALA A 47 107.790 -9.962 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 47 109.348 -8.276 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.646 -8.000 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.901 -7.935 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.822 -9.415 0.027 1.00 0.00 H new ATOM 747 N MET A 48 110.548 -11.245 -2.119 1.00 0.00 N ATOM 748 CA MET A 48 111.607 -12.186 -2.580 1.00 0.00 C ATOM 749 C MET A 48 111.491 -12.380 -4.097 1.00 0.00 C ATOM 750 O MET A 48 112.478 -12.364 -4.804 1.00 0.00 O ATOM 751 CB MET A 48 111.339 -13.493 -1.829 1.00 0.00 C ATOM 752 CG MET A 48 112.448 -14.503 -2.138 1.00 0.00 C ATOM 753 SD MET A 48 112.147 -16.034 -1.219 1.00 0.00 S ATOM 754 CE MET A 48 110.731 -16.606 -2.188 1.00 0.00 C ATOM 0 H MET A 48 109.868 -11.638 -1.468 1.00 0.00 H new ATOM 0 HA MET A 48 112.615 -11.821 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.294 -13.305 -0.756 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.371 -13.900 -2.122 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.479 -14.709 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.418 -14.088 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.651 -17.690 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.819 -16.146 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.868 -16.326 -3.233 1.00 0.00 H new ATOM 764 N ASP A 49 110.301 -12.546 -4.613 1.00 0.00 N ATOM 765 CA ASP A 49 110.161 -12.717 -6.093 1.00 0.00 C ATOM 766 C ASP A 49 110.577 -11.427 -6.821 1.00 0.00 C ATOM 767 O ASP A 49 111.261 -11.464 -7.822 1.00 0.00 O ATOM 768 CB ASP A 49 108.686 -13.057 -6.330 1.00 0.00 C ATOM 769 CG ASP A 49 108.480 -14.564 -6.147 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.453 -15.292 -6.260 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.356 -14.965 -5.893 1.00 0.00 O1- ATOM 0 H ASP A 49 109.430 -12.571 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 49 110.806 -13.505 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.057 -12.505 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.388 -12.757 -7.335 1.00 0.00 H new ATOM 776 N VAL A 50 110.180 -10.289 -6.312 1.00 0.00 N ATOM 777 CA VAL A 50 110.563 -8.986 -6.951 1.00 0.00 C ATOM 778 C VAL A 50 112.068 -8.721 -6.789 1.00 0.00 C ATOM 779 O VAL A 50 112.727 -8.303 -7.723 1.00 0.00 O ATOM 780 CB VAL A 50 109.727 -7.927 -6.227 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.141 -6.524 -6.682 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.251 -8.149 -6.555 1.00 0.00 C ATOM 0 H VAL A 50 109.603 -10.202 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 50 110.373 -8.982 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 50 109.890 -8.013 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.539 -5.780 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.195 -6.364 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.984 -6.429 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.648 -7.399 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 50 108.101 -8.063 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.950 -9.143 -6.225 1.00 0.00 H new ATOM 792 N PHE A 51 112.625 -8.961 -5.634 1.00 0.00 N ATOM 793 CA PHE A 51 114.090 -8.720 -5.460 1.00 0.00 C ATOM 794 C PHE A 51 114.857 -9.583 -6.462 1.00 0.00 C ATOM 795 O PHE A 51 115.750 -9.114 -7.143 1.00 0.00 O ATOM 796 CB PHE A 51 114.406 -9.164 -4.029 1.00 0.00 C ATOM 797 CG PHE A 51 115.718 -8.560 -3.571 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.906 -8.828 -4.269 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.745 -7.732 -2.442 1.00 0.00 C ATOM 800 CE1 PHE A 51 118.113 -8.267 -3.837 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.955 -7.173 -2.012 1.00 0.00 C ATOM 802 CZ PHE A 51 118.138 -7.440 -2.710 1.00 0.00 C ATOM 0 H PHE A 51 112.137 -9.310 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 51 114.369 -7.679 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.603 -8.857 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.462 -10.252 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.888 -9.467 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.833 -7.524 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 51 119.027 -8.473 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.975 -6.535 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.070 -7.007 -2.378 1.00 0.00 H new ATOM 812 N HIS A 52 114.512 -10.835 -6.572 1.00 0.00 N ATOM 813 CA HIS A 52 115.214 -11.717 -7.548 1.00 0.00 C ATOM 814 C HIS A 52 114.752 -11.386 -8.978 1.00 0.00 C ATOM 815 O HIS A 52 115.526 -11.434 -9.913 1.00 0.00 O ATOM 816 CB HIS A 52 114.826 -13.141 -7.148 1.00 0.00 C ATOM 817 CG HIS A 52 115.441 -13.482 -5.813 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.257 -12.964 -4.549 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.384 -14.489 -5.672 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.067 -13.641 -3.644 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.724 -14.548 -4.371 1.00 0.00 N flip ATOM 0 H HIS A 52 113.775 -11.286 -6.030 1.00 0.00 H new ATOM 0 HA HIS A 52 116.296 -11.585 -7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.741 -13.230 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.165 -13.847 -7.906 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.775 -15.113 -6.463 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.147 -13.470 -2.581 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.402 -15.206 -3.987 1.00 0.00 H new ATOM 829 N ASN A 53 113.500 -11.049 -9.152 1.00 0.00 N ATOM 830 CA ASN A 53 112.992 -10.713 -10.521 1.00 0.00 C ATOM 831 C ASN A 53 113.743 -9.499 -11.068 1.00 0.00 C ATOM 832 O ASN A 53 114.088 -9.445 -12.233 1.00 0.00 O ATOM 833 CB ASN A 53 111.511 -10.378 -10.341 1.00 0.00 C ATOM 834 CG ASN A 53 110.925 -9.930 -11.685 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.577 -10.033 -12.706 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.723 -9.431 -11.729 1.00 0.00 N ATOM 0 H ASN A 53 112.806 -10.991 -8.407 1.00 0.00 H new ATOM 0 HA ASN A 53 113.136 -11.535 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.972 -11.249 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.393 -9.589 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.329 -9.127 -12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.175 -9.344 -10.873 1.00 0.00 H new ATOM 843 N LEU A 54 114.032 -8.545 -10.231 1.00 0.00 N ATOM 844 CA LEU A 54 114.796 -7.356 -10.698 1.00 0.00 C ATOM 845 C LEU A 54 116.304 -7.680 -10.766 1.00 0.00 C ATOM 846 O LEU A 54 117.117 -6.815 -11.035 1.00 0.00 O ATOM 847 CB LEU A 54 114.506 -6.264 -9.663 1.00 0.00 C ATOM 848 CG LEU A 54 113.019 -5.903 -9.715 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.681 -4.918 -8.595 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.704 -5.262 -11.067 1.00 0.00 C ATOM 0 H LEU A 54 113.773 -8.536 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 54 114.505 -7.042 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.773 -6.612 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 115.114 -5.382 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 54 112.424 -6.807 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.621 -4.666 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.906 -5.373 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.274 -4.012 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.646 -5.003 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.304 -4.360 -11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.937 -5.965 -11.866 1.00 0.00 H new ATOM 862 N LYS A 55 116.686 -8.919 -10.539 1.00 0.00 N ATOM 863 CA LYS A 55 118.118 -9.298 -10.608 1.00 0.00 C ATOM 864 C LYS A 55 118.949 -8.413 -9.691 1.00 0.00 C ATOM 865 O LYS A 55 120.110 -8.157 -9.947 1.00 0.00 O ATOM 866 CB LYS A 55 118.519 -9.100 -12.069 1.00 0.00 C ATOM 867 CG LYS A 55 117.786 -10.120 -12.940 1.00 0.00 C ATOM 868 CD LYS A 55 118.195 -9.929 -14.397 1.00 0.00 C ATOM 869 CE LYS A 55 117.495 -10.977 -15.260 1.00 0.00 C ATOM 870 NZ LYS A 55 117.951 -10.698 -16.649 1.00 0.00 N1+ ATOM 0 H LYS A 55 116.052 -9.684 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 55 118.285 -10.325 -10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.274 -8.088 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.597 -9.218 -12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.025 -11.132 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.708 -9.997 -12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.928 -8.927 -14.733 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.276 -10.021 -14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.765 -11.987 -14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.411 -10.897 -15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.512 -11.378 -17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.674 -9.732 -16.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 118.986 -10.788 -16.699 1.00 0.00 H new ATOM 884 N MET A 56 118.375 -7.955 -8.611 1.00 0.00 N ATOM 885 CA MET A 56 119.162 -7.101 -7.681 1.00 0.00 C ATOM 886 C MET A 56 120.310 -7.914 -7.069 1.00 0.00 C ATOM 887 O MET A 56 121.218 -7.358 -6.482 1.00 0.00 O ATOM 888 CB MET A 56 118.185 -6.637 -6.604 1.00 0.00 C ATOM 889 CG MET A 56 117.185 -5.651 -7.206 1.00 0.00 C ATOM 890 SD MET A 56 116.004 -5.153 -5.932 1.00 0.00 S ATOM 891 CE MET A 56 117.162 -4.170 -4.949 1.00 0.00 C ATOM 0 H MET A 56 117.409 -8.133 -8.336 1.00 0.00 H new ATOM 0 HA MET A 56 119.610 -6.249 -8.192 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.658 -7.494 -6.184 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.728 -6.165 -5.786 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.707 -4.778 -7.597 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.662 -6.111 -8.044 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.648 -3.766 -4.077 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.989 -4.801 -4.623 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.548 -3.350 -5.554 1.00 0.00 H new ATOM 901 N ASP A 57 120.307 -9.215 -7.219 1.00 0.00 N ATOM 902 CA ASP A 57 121.427 -10.021 -6.664 1.00 0.00 C ATOM 903 C ASP A 57 122.686 -9.882 -7.551 1.00 0.00 C ATOM 904 O ASP A 57 123.725 -10.437 -7.251 1.00 0.00 O ATOM 905 CB ASP A 57 120.913 -11.461 -6.659 1.00 0.00 C ATOM 906 CG ASP A 57 119.785 -11.608 -5.633 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.647 -10.724 -4.801 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.079 -12.601 -5.696 1.00 0.00 O ATOM 0 H ASP A 57 119.581 -9.747 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 57 121.718 -9.693 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.551 -11.731 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.726 -12.146 -6.419 1.00 0.00 H new ATOM 913 N ASN A 58 122.613 -9.127 -8.623 1.00 0.00 N ATOM 914 CA ASN A 58 123.799 -8.928 -9.501 1.00 0.00 C ATOM 915 C ASN A 58 124.785 -7.944 -8.848 1.00 0.00 C ATOM 916 O ASN A 58 125.048 -6.877 -9.369 1.00 0.00 O ATOM 917 CB ASN A 58 123.211 -8.331 -10.785 1.00 0.00 C ATOM 918 CG ASN A 58 124.307 -8.158 -11.833 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.476 -8.123 -11.508 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.975 -8.051 -13.091 1.00 0.00 N ATOM 0 H ASN A 58 121.771 -8.637 -8.925 1.00 0.00 H new ATOM 0 HA ASN A 58 124.353 -9.849 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.427 -8.982 -11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.748 -7.368 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.698 -7.938 -13.801 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.993 -8.081 -13.363 1.00 0.00 H new ATOM 927 N THR A 59 125.350 -8.310 -7.724 1.00 0.00 N ATOM 928 CA THR A 59 126.341 -7.412 -7.051 1.00 0.00 C ATOM 929 C THR A 59 127.551 -8.235 -6.588 1.00 0.00 C ATOM 930 O THR A 59 127.447 -9.411 -6.297 1.00 0.00 O ATOM 931 CB THR A 59 125.603 -6.788 -5.864 1.00 0.00 C ATOM 932 OG1 THR A 59 125.127 -7.814 -5.006 1.00 0.00 O ATOM 933 CG2 THR A 59 124.426 -5.957 -6.380 1.00 0.00 C ATOM 0 H THR A 59 125.168 -9.191 -7.243 1.00 0.00 H new ATOM 0 HA THR A 59 126.719 -6.638 -7.718 1.00 0.00 H new ATOM 0 HB THR A 59 126.284 -6.145 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.656 -7.413 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.898 -5.511 -5.537 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.797 -5.168 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.744 -6.599 -6.937 1.00 0.00 H new ATOM 941 N LYS A 60 128.705 -7.619 -6.558 1.00 0.00 N ATOM 942 CA LYS A 60 129.954 -8.341 -6.166 1.00 0.00 C ATOM 943 C LYS A 60 129.932 -8.844 -4.718 1.00 0.00 C ATOM 944 O LYS A 60 130.345 -9.954 -4.444 1.00 0.00 O ATOM 945 CB LYS A 60 131.076 -7.316 -6.347 1.00 0.00 C ATOM 946 CG LYS A 60 131.261 -7.025 -7.837 1.00 0.00 C ATOM 947 CD LYS A 60 132.367 -5.984 -8.035 1.00 0.00 C ATOM 948 CE LYS A 60 132.539 -5.718 -9.535 1.00 0.00 C ATOM 949 NZ LYS A 60 133.558 -4.629 -9.639 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.837 -6.635 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 60 130.080 -9.235 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.834 -6.397 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 60 132.004 -7.697 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.516 -7.943 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.327 -6.660 -8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.112 -5.060 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.303 -6.343 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.871 -6.616 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.596 -5.416 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.721 -4.400 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 133.214 -3.783 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.449 -4.945 -9.207 1.00 0.00 H new ATOM 963 N LEU A 61 129.476 -8.051 -3.786 1.00 0.00 N ATOM 964 CA LEU A 61 129.464 -8.523 -2.366 1.00 0.00 C ATOM 965 C LEU A 61 128.074 -9.031 -1.949 1.00 0.00 C ATOM 966 O LEU A 61 127.873 -9.430 -0.818 1.00 0.00 O ATOM 967 CB LEU A 61 129.872 -7.315 -1.520 1.00 0.00 C ATOM 968 CG LEU A 61 131.301 -6.887 -1.860 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.635 -5.592 -1.111 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.280 -7.984 -1.436 1.00 0.00 C ATOM 0 H LEU A 61 129.115 -7.109 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 61 130.146 -9.362 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.185 -6.488 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.802 -7.564 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 61 131.384 -6.722 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.653 -5.285 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.939 -4.808 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.551 -5.761 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.297 -7.677 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.198 -8.150 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 132.043 -8.907 -1.965 1.00 0.00 H new ATOM 982 N GLN A 62 127.116 -9.023 -2.844 1.00 0.00 N ATOM 983 CA GLN A 62 125.745 -9.520 -2.499 1.00 0.00 C ATOM 984 C GLN A 62 125.182 -8.768 -1.285 1.00 0.00 C ATOM 985 O GLN A 62 124.632 -9.333 -0.358 1.00 0.00 O ATOM 986 CB GLN A 62 125.925 -11.016 -2.201 1.00 0.00 C ATOM 987 CG GLN A 62 126.277 -11.756 -3.498 1.00 0.00 C ATOM 988 CD GLN A 62 126.505 -13.242 -3.201 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.384 -13.674 -2.074 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.822 -14.051 -4.177 1.00 0.00 N ATOM 0 H GLN A 62 127.224 -8.692 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 62 125.032 -9.357 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.714 -11.158 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 62 125.010 -11.425 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.472 -11.640 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.173 -11.323 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 62 126.924 -13.690 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.967 -15.043 -3.990 1.00 0.00 H new ATOM 999 N ASN A 63 125.342 -7.471 -1.333 1.00 0.00 N ATOM 1000 CA ASN A 63 124.869 -6.542 -0.254 1.00 0.00 C ATOM 1001 C ASN A 63 123.823 -5.570 -0.812 1.00 0.00 C ATOM 1002 O ASN A 63 123.950 -4.366 -0.700 1.00 0.00 O ATOM 1003 CB ASN A 63 126.123 -5.776 0.205 1.00 0.00 C ATOM 1004 CG ASN A 63 126.866 -5.199 -1.007 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.345 -5.192 -2.105 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.068 -4.715 -0.854 1.00 0.00 N ATOM 0 H ASN A 63 125.801 -6.995 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 63 124.399 -7.080 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 63 125.838 -4.971 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 63 126.782 -6.443 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.569 -4.331 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.506 -4.720 0.067 1.00 0.00 H new ATOM 1013 N GLY A 64 122.779 -6.094 -1.399 1.00 0.00 N ATOM 1014 CA GLY A 64 121.702 -5.219 -1.952 1.00 0.00 C ATOM 1015 C GLY A 64 120.469 -5.286 -1.043 1.00 0.00 C ATOM 1016 O GLY A 64 120.135 -6.327 -0.512 1.00 0.00 O ATOM 0 H GLY A 64 122.625 -7.095 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.057 -4.191 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.441 -5.539 -2.961 1.00 0.00 H new ATOM 1020 N VAL A 65 119.782 -4.184 -0.867 1.00 0.00 N ATOM 1021 CA VAL A 65 118.563 -4.198 0.003 1.00 0.00 C ATOM 1022 C VAL A 65 117.362 -3.605 -0.736 1.00 0.00 C ATOM 1023 O VAL A 65 117.451 -2.578 -1.377 1.00 0.00 O ATOM 1024 CB VAL A 65 118.906 -3.337 1.236 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.659 -3.090 2.104 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.941 -4.063 2.079 1.00 0.00 C ATOM 0 H VAL A 65 120.009 -3.281 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 65 118.295 -5.216 0.285 1.00 0.00 H new ATOM 0 HB VAL A 65 119.291 -2.379 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.931 -2.481 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.903 -2.570 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.259 -4.044 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.188 -3.459 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.538 -5.022 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.841 -4.229 1.487 1.00 0.00 H new ATOM 1036 N LEU A 66 116.235 -4.242 -0.620 1.00 0.00 N ATOM 1037 CA LEU A 66 115.018 -3.713 -1.277 1.00 0.00 C ATOM 1038 C LEU A 66 113.975 -3.347 -0.218 1.00 0.00 C ATOM 1039 O LEU A 66 113.626 -4.154 0.625 1.00 0.00 O ATOM 1040 CB LEU A 66 114.491 -4.865 -2.127 1.00 0.00 C ATOM 1041 CG LEU A 66 113.270 -4.386 -2.915 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.660 -3.206 -3.813 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.741 -5.531 -3.780 1.00 0.00 C ATOM 0 H LEU A 66 116.106 -5.108 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 66 115.227 -2.821 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.266 -5.214 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.222 -5.709 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 66 112.496 -4.066 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.786 -2.870 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.034 -2.388 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.437 -3.520 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.871 -5.191 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.518 -5.852 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.456 -6.368 -3.142 1.00 0.00 H new ATOM 1055 N ILE A 67 113.467 -2.149 -0.260 1.00 0.00 N ATOM 1056 CA ILE A 67 112.432 -1.767 0.747 1.00 0.00 C ATOM 1057 C ILE A 67 111.045 -1.856 0.095 1.00 0.00 C ATOM 1058 O ILE A 67 110.681 -1.038 -0.725 1.00 0.00 O ATOM 1059 CB ILE A 67 112.764 -0.332 1.179 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.165 -0.289 1.806 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.737 0.138 2.211 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.577 1.168 2.040 1.00 0.00 C ATOM 0 H ILE A 67 113.716 -1.426 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 67 112.426 -2.426 1.615 1.00 0.00 H new ATOM 0 HB ILE A 67 112.737 0.321 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.169 -0.835 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.884 -0.780 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.971 1.157 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.740 0.112 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.767 -0.520 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.572 1.198 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.589 1.700 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.864 1.644 2.713 1.00 0.00 H new ATOM 1074 N TYR A 68 110.268 -2.851 0.450 1.00 0.00 N ATOM 1075 CA TYR A 68 108.910 -2.996 -0.162 1.00 0.00 C ATOM 1076 C TYR A 68 107.868 -2.321 0.728 1.00 0.00 C ATOM 1077 O TYR A 68 107.640 -2.726 1.849 1.00 0.00 O ATOM 1078 CB TYR A 68 108.661 -4.508 -0.220 1.00 0.00 C ATOM 1079 CG TYR A 68 107.309 -4.786 -0.845 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.165 -4.846 -0.038 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.198 -4.983 -2.229 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.913 -5.102 -0.612 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.945 -5.240 -2.802 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.803 -5.299 -1.994 1.00 0.00 C ATOM 1085 OH TYR A 68 103.568 -5.554 -2.559 1.00 0.00 O ATOM 0 H TYR A 68 110.514 -3.566 1.134 1.00 0.00 H new ATOM 0 HA TYR A 68 108.845 -2.534 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.446 -4.992 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.701 -4.930 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.249 -4.695 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.078 -4.937 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.032 -5.147 0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.860 -5.393 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 68 102.976 -5.952 -1.886 1.00 0.00 H new ATOM 1095 N VAL A 69 107.244 -1.287 0.242 1.00 0.00 N ATOM 1096 CA VAL A 69 106.233 -0.569 1.070 1.00 0.00 C ATOM 1097 C VAL A 69 104.844 -0.638 0.428 1.00 0.00 C ATOM 1098 O VAL A 69 104.661 -0.376 -0.744 1.00 0.00 O ATOM 1099 CB VAL A 69 106.750 0.880 1.138 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.694 1.809 1.756 1.00 0.00 C ATOM 1101 CG2 VAL A 69 108.017 0.923 1.997 1.00 0.00 C ATOM 0 H VAL A 69 107.389 -0.906 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 69 106.119 -1.010 2.060 1.00 0.00 H new ATOM 0 HB VAL A 69 106.966 1.220 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 69 106.082 2.827 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.790 1.788 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.460 1.473 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.387 1.947 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.787 0.569 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.780 0.283 1.553 1.00 0.00 H new ATOM 1111 N ALA A 70 103.865 -0.972 1.223 1.00 0.00 N ATOM 1112 CA ALA A 70 102.465 -1.052 0.726 1.00 0.00 C ATOM 1113 C ALA A 70 101.722 0.231 1.107 1.00 0.00 C ATOM 1114 O ALA A 70 101.110 0.310 2.150 1.00 0.00 O ATOM 1115 CB ALA A 70 101.858 -2.242 1.465 1.00 0.00 C ATOM 0 H ALA A 70 103.979 -1.196 2.211 1.00 0.00 H new ATOM 0 HA ALA A 70 102.406 -1.166 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.821 -2.372 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.423 -3.144 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.896 -2.061 2.539 1.00 0.00 H new ATOM 1121 N VAL A 71 101.800 1.238 0.288 1.00 0.00 N ATOM 1122 CA VAL A 71 101.121 2.533 0.625 1.00 0.00 C ATOM 1123 C VAL A 71 99.612 2.352 0.817 1.00 0.00 C ATOM 1124 O VAL A 71 98.988 3.116 1.529 1.00 0.00 O ATOM 1125 CB VAL A 71 101.390 3.481 -0.544 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.885 3.767 -0.620 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.906 2.855 -1.864 1.00 0.00 C ATOM 0 H VAL A 71 102.301 1.229 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 71 101.509 2.926 1.565 1.00 0.00 H new ATOM 0 HB VAL A 71 100.846 4.412 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 71 103.084 4.443 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.215 4.230 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.427 2.834 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 71 101.104 3.542 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.435 1.918 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.835 2.661 -1.804 1.00 0.00 H new ATOM 1137 N GLU A 72 99.014 1.355 0.222 1.00 0.00 N ATOM 1138 CA GLU A 72 97.548 1.161 0.423 1.00 0.00 C ATOM 1139 C GLU A 72 97.302 0.770 1.881 1.00 0.00 C ATOM 1140 O GLU A 72 96.410 1.275 2.535 1.00 0.00 O ATOM 1141 CB GLU A 72 97.161 0.027 -0.522 1.00 0.00 C ATOM 1142 CG GLU A 72 95.642 -0.123 -0.507 1.00 0.00 C ATOM 1143 CD GLU A 72 95.199 -1.076 -1.616 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.980 -1.296 -2.527 1.00 0.00 O ATOM 1145 OE2 GLU A 72 94.083 -1.567 -1.540 1.00 0.00 O1- ATOM 0 H GLU A 72 99.469 0.675 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 72 96.962 2.057 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.510 0.241 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.636 -0.903 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.316 -0.502 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.171 0.850 -0.643 1.00 0.00 H new ATOM 1152 N ASP A 73 98.111 -0.106 2.399 1.00 0.00 N ATOM 1153 CA ASP A 73 97.962 -0.513 3.825 1.00 0.00 C ATOM 1154 C ASP A 73 98.979 0.236 4.708 1.00 0.00 C ATOM 1155 O ASP A 73 99.088 -0.019 5.892 1.00 0.00 O ATOM 1156 CB ASP A 73 98.239 -2.015 3.833 1.00 0.00 C ATOM 1157 CG ASP A 73 97.181 -2.728 2.992 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.045 -2.284 3.005 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.524 -3.708 2.351 1.00 0.00 O ATOM 0 H ASP A 73 98.873 -0.561 1.896 1.00 0.00 H new ATOM 0 HA ASP A 73 96.975 -0.278 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.233 -2.215 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.224 -2.394 4.855 1.00 0.00 H new ATOM 1164 N LYS A 74 99.723 1.163 4.145 1.00 0.00 N ATOM 1165 CA LYS A 74 100.722 1.925 4.947 1.00 0.00 C ATOM 1166 C LYS A 74 101.684 0.976 5.674 1.00 0.00 C ATOM 1167 O LYS A 74 101.955 1.137 6.847 1.00 0.00 O ATOM 1168 CB LYS A 74 99.898 2.723 5.956 1.00 0.00 C ATOM 1169 CG LYS A 74 100.275 4.201 5.867 1.00 0.00 C ATOM 1170 CD LYS A 74 99.359 5.022 6.777 1.00 0.00 C ATOM 1171 CE LYS A 74 99.766 6.499 6.714 1.00 0.00 C ATOM 1172 NZ LYS A 74 98.857 7.198 7.664 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.676 1.421 3.159 1.00 0.00 H new ATOM 0 HA LYS A 74 101.338 2.567 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.834 2.595 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.079 2.351 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.315 4.339 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.186 4.548 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.321 4.906 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.427 4.659 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.810 6.632 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.658 6.894 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.079 8.214 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 97.870 7.061 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.986 6.807 8.619 1.00 0.00 H new ATOM 1186 N THR A 75 102.209 -0.011 4.995 1.00 0.00 N ATOM 1187 CA THR A 75 103.151 -0.954 5.676 1.00 0.00 C ATOM 1188 C THR A 75 104.504 -0.949 4.953 1.00 0.00 C ATOM 1189 O THR A 75 104.638 -0.415 3.870 1.00 0.00 O ATOM 1190 CB THR A 75 102.491 -2.340 5.604 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.482 -2.794 4.258 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.051 -2.261 6.127 1.00 0.00 C ATOM 0 H THR A 75 102.030 -0.205 4.010 1.00 0.00 H new ATOM 0 HA THR A 75 103.339 -0.668 6.711 1.00 0.00 H new ATOM 0 HB THR A 75 103.058 -3.038 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 75 102.062 -3.679 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.590 -3.247 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.058 -1.920 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.481 -1.560 5.518 1.00 0.00 H new ATOM 1200 N PHE A 76 105.515 -1.525 5.554 1.00 0.00 N ATOM 1201 CA PHE A 76 106.861 -1.538 4.909 1.00 0.00 C ATOM 1202 C PHE A 76 107.624 -2.820 5.271 1.00 0.00 C ATOM 1203 O PHE A 76 107.556 -3.308 6.383 1.00 0.00 O ATOM 1204 CB PHE A 76 107.568 -0.313 5.483 1.00 0.00 C ATOM 1205 CG PHE A 76 107.642 -0.435 6.985 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.593 0.046 7.779 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.756 -1.031 7.584 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.660 -0.070 9.172 1.00 0.00 C ATOM 1209 CE2 PHE A 76 108.821 -1.149 8.977 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.774 -0.668 9.770 1.00 0.00 C ATOM 0 H PHE A 76 105.465 -1.986 6.463 1.00 0.00 H new ATOM 0 HA PHE A 76 106.800 -1.513 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.571 -0.229 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.030 0.594 5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.733 0.506 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.566 -1.400 6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 76 105.852 0.302 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.680 -1.612 9.440 1.00 0.00 H new ATOM 0 HZ PHE A 76 107.826 -0.758 10.845 1.00 0.00 H new ATOM 1220 N VAL A 77 108.354 -3.361 4.332 1.00 0.00 N ATOM 1221 CA VAL A 77 109.135 -4.608 4.591 1.00 0.00 C ATOM 1222 C VAL A 77 110.583 -4.405 4.123 1.00 0.00 C ATOM 1223 O VAL A 77 110.825 -3.831 3.078 1.00 0.00 O ATOM 1224 CB VAL A 77 108.414 -5.691 3.767 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.271 -6.963 3.661 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.096 -6.038 4.460 1.00 0.00 C ATOM 0 H VAL A 77 108.444 -2.989 3.387 1.00 0.00 H new ATOM 0 HA VAL A 77 109.185 -4.882 5.645 1.00 0.00 H new ATOM 0 HB VAL A 77 108.235 -5.307 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.739 -7.712 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.217 -6.725 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.465 -7.355 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.574 -6.804 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.300 -6.411 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.473 -5.146 4.524 1.00 0.00 H new ATOM 1236 N ILE A 78 111.550 -4.869 4.872 1.00 0.00 N ATOM 1237 CA ILE A 78 112.965 -4.688 4.436 1.00 0.00 C ATOM 1238 C ILE A 78 113.629 -6.055 4.203 1.00 0.00 C ATOM 1239 O ILE A 78 113.621 -6.918 5.059 1.00 0.00 O ATOM 1240 CB ILE A 78 113.648 -3.953 5.584 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.916 -2.642 5.875 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.088 -3.627 5.185 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.458 -2.055 7.178 1.00 0.00 C ATOM 0 H ILE A 78 111.423 -5.360 5.757 1.00 0.00 H new ATOM 0 HA ILE A 78 113.037 -4.134 3.500 1.00 0.00 H new ATOM 0 HB ILE A 78 113.632 -4.586 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.061 -1.939 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.844 -2.819 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.582 -3.101 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.625 -4.551 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.085 -2.996 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.944 -1.119 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.291 -2.760 7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.527 -1.866 7.075 1.00 0.00 H new ATOM 1255 N TYR A 79 114.194 -6.249 3.044 1.00 0.00 N ATOM 1256 CA TYR A 79 114.856 -7.554 2.724 1.00 0.00 C ATOM 1257 C TYR A 79 116.237 -7.323 2.095 1.00 0.00 C ATOM 1258 O TYR A 79 116.355 -6.781 1.014 1.00 0.00 O ATOM 1259 CB TYR A 79 113.908 -8.224 1.726 1.00 0.00 C ATOM 1260 CG TYR A 79 114.399 -9.613 1.390 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.513 -10.579 2.398 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.728 -9.941 0.067 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.956 -11.869 2.085 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.169 -11.232 -0.244 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.282 -12.196 0.764 1.00 0.00 C ATOM 1266 OH TYR A 79 115.713 -13.471 0.454 1.00 0.00 O ATOM 0 H TYR A 79 114.228 -5.556 2.296 1.00 0.00 H new ATOM 0 HA TYR A 79 115.025 -8.165 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.904 -8.277 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.841 -7.625 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.259 -10.328 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.641 -9.198 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.046 -12.612 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.422 -11.485 -1.263 1.00 0.00 H new ATOM 0 HH TYR A 79 115.896 -13.530 -0.507 1.00 0.00 H new ATOM 1276 N GLY A 80 117.283 -7.739 2.766 1.00 0.00 N ATOM 1277 CA GLY A 80 118.653 -7.551 2.211 1.00 0.00 C ATOM 1278 C GLY A 80 119.156 -8.877 1.642 1.00 0.00 C ATOM 1279 O GLY A 80 118.548 -9.914 1.820 1.00 0.00 O ATOM 0 H GLY A 80 117.244 -8.201 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.640 -6.789 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.328 -7.198 2.991 1.00 0.00 H new ATOM 1283 N ASP A 81 120.261 -8.846 0.953 1.00 0.00 N ATOM 1284 CA ASP A 81 120.802 -10.104 0.364 1.00 0.00 C ATOM 1285 C ASP A 81 121.603 -10.886 1.408 1.00 0.00 C ATOM 1286 O ASP A 81 121.702 -10.494 2.554 1.00 0.00 O ATOM 1287 CB ASP A 81 121.691 -9.666 -0.801 1.00 0.00 C ATOM 1288 CG ASP A 81 120.817 -9.213 -1.973 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.647 -9.556 -1.984 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 121.334 -8.533 -2.845 1.00 0.00 O ATOM 0 H ASP A 81 120.813 -8.007 0.772 1.00 0.00 H new ATOM 0 HA ASP A 81 120.007 -10.768 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.345 -8.853 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.334 -10.490 -1.111 1.00 0.00 H new ATOM 1295 N LYS A 82 122.161 -12.000 1.022 1.00 0.00 N ATOM 1296 CA LYS A 82 122.943 -12.824 1.987 1.00 0.00 C ATOM 1297 C LYS A 82 124.157 -12.051 2.500 1.00 0.00 C ATOM 1298 O LYS A 82 124.661 -12.305 3.575 1.00 0.00 O ATOM 1299 CB LYS A 82 123.400 -14.046 1.197 1.00 0.00 C ATOM 1300 CG LYS A 82 122.199 -14.921 0.847 1.00 0.00 C ATOM 1301 CD LYS A 82 122.685 -16.133 0.051 1.00 0.00 C ATOM 1302 CE LYS A 82 121.511 -17.067 -0.235 1.00 0.00 C ATOM 1303 NZ LYS A 82 122.095 -18.161 -1.059 1.00 0.00 N1+ ATOM 0 H LYS A 82 122.109 -12.377 0.076 1.00 0.00 H new ATOM 0 HA LYS A 82 122.345 -13.094 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.908 -13.731 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 82 124.120 -14.619 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.691 -15.245 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 82 121.475 -14.352 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 82 123.139 -15.807 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 82 123.455 -16.663 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 82 121.078 -17.453 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.714 -16.550 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 121.353 -18.848 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 122.494 -17.762 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.847 -18.638 -0.521 1.00 0.00 H new ATOM 1317 N GLY A 83 124.645 -11.129 1.723 1.00 0.00 N ATOM 1318 CA GLY A 83 125.844 -10.363 2.150 1.00 0.00 C ATOM 1319 C GLY A 83 125.548 -9.570 3.421 1.00 0.00 C ATOM 1320 O GLY A 83 126.195 -9.761 4.441 1.00 0.00 O ATOM 0 H GLY A 83 124.266 -10.873 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.675 -11.046 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.152 -9.684 1.354 1.00 0.00 H new ATOM 1324 N ILE A 84 124.565 -8.707 3.403 1.00 0.00 N ATOM 1325 CA ILE A 84 124.250 -7.947 4.645 1.00 0.00 C ATOM 1326 C ILE A 84 123.764 -8.927 5.717 1.00 0.00 C ATOM 1327 O ILE A 84 124.131 -8.828 6.871 1.00 0.00 O ATOM 1328 CB ILE A 84 123.156 -6.958 4.244 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.737 -5.892 3.307 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.574 -6.272 5.482 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.606 -5.004 2.800 1.00 0.00 C ATOM 0 H ILE A 84 123.977 -8.499 2.596 1.00 0.00 H new ATOM 0 HA ILE A 84 125.110 -7.421 5.060 1.00 0.00 H new ATOM 0 HB ILE A 84 122.365 -7.508 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.479 -5.292 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.248 -6.366 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.797 -5.571 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.146 -7.023 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.364 -5.733 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 84 123.012 -4.243 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.881 -5.612 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 84 122.116 -4.521 3.645 1.00 0.00 H new ATOM 1343 N ASN A 85 122.904 -9.840 5.360 1.00 0.00 N ATOM 1344 CA ASN A 85 122.356 -10.781 6.377 1.00 0.00 C ATOM 1345 C ASN A 85 123.463 -11.627 7.011 1.00 0.00 C ATOM 1346 O ASN A 85 123.437 -11.909 8.192 1.00 0.00 O ATOM 1347 CB ASN A 85 121.377 -11.668 5.609 1.00 0.00 C ATOM 1348 CG ASN A 85 120.175 -10.834 5.159 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.977 -9.729 5.626 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.354 -11.322 4.269 1.00 0.00 N ATOM 0 H ASN A 85 122.557 -9.975 4.410 1.00 0.00 H new ATOM 0 HA ASN A 85 121.877 -10.247 7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.872 -12.109 4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.045 -12.492 6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.547 -10.776 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.519 -12.249 3.877 1.00 0.00 H new ATOM 1357 N ASP A 86 124.430 -12.045 6.244 1.00 0.00 N ATOM 1358 CA ASP A 86 125.524 -12.880 6.813 1.00 0.00 C ATOM 1359 C ASP A 86 126.468 -12.068 7.708 1.00 0.00 C ATOM 1360 O ASP A 86 127.204 -12.631 8.498 1.00 0.00 O ATOM 1361 CB ASP A 86 126.284 -13.406 5.592 1.00 0.00 C ATOM 1362 CG ASP A 86 125.466 -14.505 4.913 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.583 -15.047 5.559 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.734 -14.786 3.757 1.00 0.00 O1- ATOM 0 H ASP A 86 124.510 -11.845 5.247 1.00 0.00 H new ATOM 0 HA ASP A 86 125.124 -13.672 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.473 -12.593 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.255 -13.797 5.896 1.00 0.00 H new ATOM 1369 N VAL A 87 126.488 -10.760 7.585 1.00 0.00 N ATOM 1370 CA VAL A 87 127.436 -9.969 8.435 1.00 0.00 C ATOM 1371 C VAL A 87 126.715 -9.175 9.542 1.00 0.00 C ATOM 1372 O VAL A 87 127.343 -8.746 10.493 1.00 0.00 O ATOM 1373 CB VAL A 87 128.155 -9.020 7.465 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.759 -9.816 6.303 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.159 -7.996 6.910 1.00 0.00 C ATOM 0 H VAL A 87 125.904 -10.217 6.949 1.00 0.00 H new ATOM 0 HA VAL A 87 128.126 -10.630 8.960 1.00 0.00 H new ATOM 0 HB VAL A 87 128.951 -8.504 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.267 -9.135 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.475 -10.541 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 87 127.966 -10.340 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.673 -7.324 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.360 -8.515 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.735 -7.419 7.732 1.00 0.00 H new ATOM 1385 N VAL A 88 125.425 -8.960 9.440 1.00 0.00 N ATOM 1386 CA VAL A 88 124.735 -8.177 10.514 1.00 0.00 C ATOM 1387 C VAL A 88 123.621 -8.996 11.175 1.00 0.00 C ATOM 1388 O VAL A 88 123.161 -9.987 10.642 1.00 0.00 O ATOM 1389 CB VAL A 88 124.167 -6.931 9.831 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.288 -6.176 9.117 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.091 -7.327 8.827 1.00 0.00 C ATOM 0 H VAL A 88 124.831 -9.285 8.677 1.00 0.00 H new ATOM 0 HA VAL A 88 125.429 -7.912 11.312 1.00 0.00 H new ATOM 0 HB VAL A 88 123.723 -6.285 10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.878 -5.290 8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.044 -5.876 9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.742 -6.823 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.694 -6.432 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.522 -7.983 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.286 -7.849 9.344 1.00 0.00 H new ATOM 1401 N SER A 89 123.213 -8.606 12.350 1.00 0.00 N ATOM 1402 CA SER A 89 122.164 -9.376 13.079 1.00 0.00 C ATOM 1403 C SER A 89 120.820 -8.643 13.121 1.00 0.00 C ATOM 1404 O SER A 89 120.646 -7.581 12.548 1.00 0.00 O ATOM 1405 CB SER A 89 122.718 -9.535 14.493 1.00 0.00 C ATOM 1406 OG SER A 89 123.234 -8.288 14.939 1.00 0.00 O ATOM 0 H SER A 89 123.562 -7.783 12.840 1.00 0.00 H new ATOM 0 HA SER A 89 121.963 -10.326 12.583 1.00 0.00 H new ATOM 0 HB2 SER A 89 121.933 -9.879 15.167 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.503 -10.292 14.505 1.00 0.00 H new ATOM 0 HG SER A 89 123.589 -8.387 15.847 1.00 0.00 H new ATOM 1412 N ASP A 90 119.873 -9.208 13.819 1.00 0.00 N ATOM 1413 CA ASP A 90 118.532 -8.574 13.932 1.00 0.00 C ATOM 1414 C ASP A 90 118.656 -7.225 14.648 1.00 0.00 C ATOM 1415 O ASP A 90 117.969 -6.276 14.326 1.00 0.00 O ATOM 1416 CB ASP A 90 117.712 -9.565 14.760 1.00 0.00 C ATOM 1417 CG ASP A 90 117.126 -10.635 13.836 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.022 -10.371 12.650 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.794 -11.701 14.330 1.00 0.00 O ATOM 0 H ASP A 90 119.974 -10.091 14.320 1.00 0.00 H new ATOM 0 HA ASP A 90 118.069 -8.373 12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.341 -10.029 15.520 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.911 -9.043 15.284 1.00 0.00 H new ATOM 1424 N ASP A 91 119.537 -7.128 15.604 1.00 0.00 N ATOM 1425 CA ASP A 91 119.717 -5.834 16.322 1.00 0.00 C ATOM 1426 C ASP A 91 120.188 -4.766 15.331 1.00 0.00 C ATOM 1427 O ASP A 91 119.763 -3.628 15.380 1.00 0.00 O ATOM 1428 CB ASP A 91 120.777 -6.111 17.387 1.00 0.00 C ATOM 1429 CG ASP A 91 120.822 -4.952 18.381 1.00 0.00 C ATOM 1430 OD1 ASP A 91 120.583 -3.831 17.965 1.00 0.00 O ATOM 1431 OD2 ASP A 91 121.088 -5.204 19.545 1.00 0.00 O1- ATOM 0 H ASP A 91 120.140 -7.888 15.920 1.00 0.00 H new ATOM 0 HA ASP A 91 118.796 -5.466 16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.549 -7.041 17.908 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.753 -6.239 16.918 1.00 0.00 H new ATOM 1436 N PHE A 92 121.039 -5.131 14.414 1.00 0.00 N ATOM 1437 CA PHE A 92 121.507 -4.147 13.398 1.00 0.00 C ATOM 1438 C PHE A 92 120.338 -3.751 12.491 1.00 0.00 C ATOM 1439 O PHE A 92 120.292 -2.669 11.939 1.00 0.00 O ATOM 1440 CB PHE A 92 122.605 -4.868 12.609 1.00 0.00 C ATOM 1441 CG PHE A 92 123.050 -4.017 11.443 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.030 -3.035 11.622 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.483 -4.218 10.179 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.442 -2.253 10.536 1.00 0.00 C ATOM 1445 CE2 PHE A 92 122.896 -3.437 9.092 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.875 -2.454 9.271 1.00 0.00 C ATOM 0 H PHE A 92 121.431 -6.068 14.324 1.00 0.00 H new ATOM 0 HA PHE A 92 121.887 -3.229 13.846 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.453 -5.078 13.260 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.234 -5.828 12.248 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.468 -2.880 12.597 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.726 -4.976 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.198 -1.494 10.674 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.459 -3.594 8.117 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.194 -1.850 8.434 1.00 0.00 H new ATOM 1456 N TRP A 93 119.392 -4.637 12.341 1.00 0.00 N ATOM 1457 CA TRP A 93 118.211 -4.351 11.481 1.00 0.00 C ATOM 1458 C TRP A 93 117.137 -3.614 12.284 1.00 0.00 C ATOM 1459 O TRP A 93 116.331 -2.875 11.756 1.00 0.00 O ATOM 1460 CB TRP A 93 117.710 -5.733 11.062 1.00 0.00 C ATOM 1461 CG TRP A 93 118.347 -6.127 9.769 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.627 -6.535 9.620 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.749 -6.172 8.447 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.853 -6.809 8.282 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.726 -6.598 7.521 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.465 -5.878 7.968 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.440 -6.727 6.164 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.171 -6.013 6.605 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.156 -6.433 5.705 1.00 0.00 C ATOM 0 H TRP A 93 119.388 -5.556 12.783 1.00 0.00 H new ATOM 0 HA TRP A 93 118.454 -3.718 10.628 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.946 -6.466 11.833 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.625 -5.721 10.956 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.353 -6.631 10.414 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.746 -7.128 7.906 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.699 -5.546 8.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.205 -7.051 5.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.177 -5.791 6.246 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.922 -6.530 4.655 1.00 0.00 H new ATOM 1480 N ASP A 94 117.096 -3.866 13.560 1.00 0.00 N ATOM 1481 CA ASP A 94 116.049 -3.247 14.417 1.00 0.00 C ATOM 1482 C ASP A 94 116.048 -1.724 14.318 1.00 0.00 C ATOM 1483 O ASP A 94 114.992 -1.117 14.298 1.00 0.00 O ATOM 1484 CB ASP A 94 116.384 -3.701 15.836 1.00 0.00 C ATOM 1485 CG ASP A 94 115.765 -5.079 16.104 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.980 -5.533 15.286 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.077 -5.650 17.135 1.00 0.00 O ATOM 0 H ASP A 94 117.748 -4.479 14.050 1.00 0.00 H new ATOM 0 HA ASP A 94 115.051 -3.555 14.105 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.465 -3.747 15.967 1.00 0.00 H new ATOM 0 HB3 ASP A 94 116.006 -2.977 16.558 1.00 0.00 H new ATOM 1492 N THR A 95 117.192 -1.087 14.267 1.00 0.00 N ATOM 1493 CA THR A 95 117.172 0.404 14.183 1.00 0.00 C ATOM 1494 C THR A 95 116.529 0.810 12.852 1.00 0.00 C ATOM 1495 O THR A 95 115.905 1.846 12.730 1.00 0.00 O ATOM 1496 CB THR A 95 118.629 0.872 14.275 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.386 0.272 13.235 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.215 0.479 15.631 1.00 0.00 C ATOM 0 H THR A 95 118.115 -1.521 14.279 1.00 0.00 H new ATOM 0 HA THR A 95 116.592 0.861 14.985 1.00 0.00 H new ATOM 0 HB THR A 95 118.666 1.956 14.171 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.317 0.572 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.251 0.814 15.691 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.636 0.947 16.427 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.177 -0.605 15.743 1.00 0.00 H new ATOM 1506 N THR A 96 116.692 -0.021 11.849 1.00 0.00 N ATOM 1507 CA THR A 96 116.111 0.269 10.501 1.00 0.00 C ATOM 1508 C THR A 96 114.592 0.399 10.574 1.00 0.00 C ATOM 1509 O THR A 96 113.993 1.329 10.066 1.00 0.00 O ATOM 1510 CB THR A 96 116.418 -0.986 9.680 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.767 -1.385 9.885 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.194 -0.674 8.199 1.00 0.00 C ATOM 0 H THR A 96 117.209 -0.898 11.909 1.00 0.00 H new ATOM 0 HA THR A 96 116.516 1.194 10.090 1.00 0.00 H new ATOM 0 HB THR A 96 115.761 -1.797 9.994 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.002 -2.087 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.410 -1.561 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.157 -0.375 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.855 0.137 7.894 1.00 0.00 H new ATOM 1520 N ARG A 97 113.978 -0.566 11.202 1.00 0.00 N ATOM 1521 CA ARG A 97 112.494 -0.583 11.330 1.00 0.00 C ATOM 1522 C ARG A 97 111.988 0.522 12.257 1.00 0.00 C ATOM 1523 O ARG A 97 110.947 1.105 12.018 1.00 0.00 O ATOM 1524 CB ARG A 97 112.179 -1.957 11.919 1.00 0.00 C ATOM 1525 CG ARG A 97 112.428 -3.037 10.860 1.00 0.00 C ATOM 1526 CD ARG A 97 112.150 -4.417 11.462 1.00 0.00 C ATOM 1527 NE ARG A 97 112.468 -5.386 10.376 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.088 -6.632 10.483 1.00 0.00 C ATOM 1529 NH1 ARG A 97 112.843 -7.494 11.106 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 110.954 -7.016 9.968 1.00 0.00 N ATOM 0 H ARG A 97 114.451 -1.357 11.639 1.00 0.00 H new ATOM 0 HA ARG A 97 112.008 -0.408 10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.802 -2.141 12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.142 -1.992 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.785 -2.869 9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.458 -2.984 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.768 -4.595 12.342 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.111 -4.507 11.779 1.00 0.00 H new ATOM 0 HE ARG A 97 112.981 -5.078 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.731 -7.196 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.546 -8.466 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.362 -6.344 9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 97 110.659 -7.989 10.052 1.00 0.00 H new ATOM 1544 N ASN A 98 112.688 0.808 13.322 1.00 0.00 N ATOM 1545 CA ASN A 98 112.200 1.866 14.252 1.00 0.00 C ATOM 1546 C ASN A 98 112.173 3.225 13.549 1.00 0.00 C ATOM 1547 O ASN A 98 111.228 3.977 13.693 1.00 0.00 O ATOM 1548 CB ASN A 98 113.179 1.852 15.424 1.00 0.00 C ATOM 1549 CG ASN A 98 112.858 0.659 16.322 1.00 0.00 C ATOM 1550 OD1 ASN A 98 113.719 -0.145 16.619 1.00 0.00 O ATOM 1551 ND2 ASN A 98 111.642 0.508 16.764 1.00 0.00 N ATOM 0 H ASN A 98 113.566 0.361 13.586 1.00 0.00 H new ATOM 0 HA ASN A 98 111.180 1.684 14.591 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.204 1.784 15.059 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.103 2.781 15.990 1.00 0.00 H new ATOM 0 HD21 ASN A 98 111.411 -0.286 17.361 1.00 0.00 H new ATOM 0 HD22 ASN A 98 110.921 1.184 16.513 1.00 0.00 H new ATOM 1558 N ALA A 99 113.180 3.558 12.791 1.00 0.00 N ATOM 1559 CA ALA A 99 113.174 4.873 12.088 1.00 0.00 C ATOM 1560 C ALA A 99 112.047 4.934 11.050 1.00 0.00 C ATOM 1561 O ALA A 99 111.284 5.883 11.010 1.00 0.00 O ATOM 1562 CB ALA A 99 114.540 4.951 11.402 1.00 0.00 C ATOM 0 H ALA A 99 114.004 2.980 12.628 1.00 0.00 H new ATOM 0 HA ALA A 99 113.005 5.703 12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.621 5.892 10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.328 4.897 12.153 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.645 4.120 10.705 1.00 0.00 H new ATOM 1568 N ILE A 100 111.916 3.932 10.218 1.00 0.00 N ATOM 1569 CA ILE A 100 110.819 3.953 9.205 1.00 0.00 C ATOM 1570 C ILE A 100 109.455 3.852 9.900 1.00 0.00 C ATOM 1571 O ILE A 100 108.525 4.541 9.547 1.00 0.00 O ATOM 1572 CB ILE A 100 111.063 2.737 8.295 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.344 2.956 7.484 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.883 2.558 7.326 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.750 1.648 6.797 1.00 0.00 C ATOM 0 H ILE A 100 112.516 3.107 10.196 1.00 0.00 H new ATOM 0 HA ILE A 100 110.815 4.879 8.631 1.00 0.00 H new ATOM 0 HB ILE A 100 111.161 1.846 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.185 3.735 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.146 3.299 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.065 1.695 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.966 2.401 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.780 3.451 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.662 1.807 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.927 0.881 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.951 1.324 6.130 1.00 0.00 H new ATOM 1587 N GLN A 101 109.336 2.997 10.879 1.00 0.00 N ATOM 1588 CA GLN A 101 108.028 2.841 11.585 1.00 0.00 C ATOM 1589 C GLN A 101 107.612 4.152 12.266 1.00 0.00 C ATOM 1590 O GLN A 101 106.460 4.534 12.240 1.00 0.00 O ATOM 1591 CB GLN A 101 108.279 1.748 12.630 1.00 0.00 C ATOM 1592 CG GLN A 101 106.986 1.453 13.398 1.00 0.00 C ATOM 1593 CD GLN A 101 107.255 0.393 14.471 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.214 -0.349 14.382 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.445 0.292 15.491 1.00 0.00 N ATOM 0 H GLN A 101 110.087 2.399 11.222 1.00 0.00 H new ATOM 0 HA GLN A 101 107.221 2.583 10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.637 0.842 12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.059 2.067 13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.610 2.366 13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.215 1.102 12.711 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.640 0.914 15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.617 -0.409 16.212 1.00 0.00 H new ATOM 1604 N LEU A 102 108.531 4.830 12.890 1.00 0.00 N ATOM 1605 CA LEU A 102 108.173 6.100 13.589 1.00 0.00 C ATOM 1606 C LEU A 102 107.677 7.181 12.617 1.00 0.00 C ATOM 1607 O LEU A 102 106.707 7.872 12.884 1.00 0.00 O ATOM 1608 CB LEU A 102 109.468 6.554 14.259 1.00 0.00 C ATOM 1609 CG LEU A 102 109.217 7.866 15.004 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.287 7.604 16.187 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.547 8.430 15.510 1.00 0.00 C ATOM 0 H LEU A 102 109.514 4.563 12.948 1.00 0.00 H new ATOM 0 HA LEU A 102 107.358 5.940 14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.820 5.790 14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.250 6.690 13.512 1.00 0.00 H new ATOM 0 HG LEU A 102 108.754 8.587 14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.106 8.537 16.721 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.340 7.204 15.824 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.750 6.884 16.862 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.367 9.365 16.041 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.013 7.713 16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.209 8.614 14.664 1.00 0.00 H new ATOM 1623 N GLN A 103 108.331 7.338 11.492 1.00 0.00 N ATOM 1624 CA GLN A 103 107.874 8.389 10.535 1.00 0.00 C ATOM 1625 C GLN A 103 106.617 7.900 9.807 1.00 0.00 C ATOM 1626 O GLN A 103 105.684 8.647 9.577 1.00 0.00 O ATOM 1627 CB GLN A 103 109.043 8.631 9.582 1.00 0.00 C ATOM 1628 CG GLN A 103 109.238 10.136 9.370 1.00 0.00 C ATOM 1629 CD GLN A 103 109.735 10.774 10.668 1.00 0.00 C ATOM 1630 OE1 GLN A 103 110.475 10.165 11.414 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.362 11.988 10.968 1.00 0.00 N ATOM 0 H GLN A 103 109.144 6.796 11.200 1.00 0.00 H new ATOM 0 HA GLN A 103 107.603 9.322 11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.953 8.191 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.853 8.142 8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.955 10.311 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.298 10.596 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 103 108.741 12.500 10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.692 12.425 11.829 1.00 0.00 H new ATOM 1640 N PHE A 104 106.575 6.638 9.469 1.00 0.00 N ATOM 1641 CA PHE A 104 105.365 6.094 8.790 1.00 0.00 C ATOM 1642 C PHE A 104 104.167 6.238 9.720 1.00 0.00 C ATOM 1643 O PHE A 104 103.081 6.596 9.310 1.00 0.00 O ATOM 1644 CB PHE A 104 105.663 4.619 8.528 1.00 0.00 C ATOM 1645 CG PHE A 104 106.199 4.468 7.128 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.474 4.945 6.798 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.409 3.853 6.155 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.956 4.803 5.490 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.887 3.712 4.851 1.00 0.00 C ATOM 1650 CZ PHE A 104 107.160 4.185 4.516 1.00 0.00 C ATOM 0 H PHE A 104 107.323 5.964 9.633 1.00 0.00 H new ATOM 0 HA PHE A 104 105.136 6.619 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.389 4.247 9.251 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.758 4.024 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 104 108.085 5.422 7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.426 3.486 6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.939 5.169 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.273 3.237 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.529 4.074 3.507 1.00 0.00 H new ATOM 1660 N LYS A 105 104.369 5.963 10.978 1.00 0.00 N ATOM 1661 CA LYS A 105 103.263 6.083 11.958 1.00 0.00 C ATOM 1662 C LYS A 105 102.778 7.527 12.041 1.00 0.00 C ATOM 1663 O LYS A 105 101.606 7.782 12.224 1.00 0.00 O ATOM 1664 CB LYS A 105 103.873 5.658 13.284 1.00 0.00 C ATOM 1665 CG LYS A 105 102.787 5.624 14.352 1.00 0.00 C ATOM 1666 CD LYS A 105 103.406 5.138 15.653 1.00 0.00 C ATOM 1667 CE LYS A 105 102.338 5.079 16.744 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.055 4.553 17.936 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.261 5.658 11.369 1.00 0.00 H new ATOM 0 HA LYS A 105 102.402 5.474 11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.334 4.675 13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.662 6.352 13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.355 6.616 14.485 1.00 0.00 H new ATOM 0 HG3 LYS A 105 101.977 4.962 14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 105 103.848 4.152 15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.211 5.807 15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 105 101.914 6.064 16.938 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.513 4.427 16.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.393 4.480 18.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.443 3.612 17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 103.831 5.198 18.187 1.00 0.00 H new ATOM 1682 N GLN A 106 103.657 8.481 11.880 1.00 0.00 N ATOM 1683 CA GLN A 106 103.217 9.902 11.920 1.00 0.00 C ATOM 1684 C GLN A 106 102.541 10.267 10.590 1.00 0.00 C ATOM 1685 O GLN A 106 101.801 11.227 10.508 1.00 0.00 O ATOM 1686 CB GLN A 106 104.509 10.701 12.118 1.00 0.00 C ATOM 1687 CG GLN A 106 105.055 10.448 13.527 1.00 0.00 C ATOM 1688 CD GLN A 106 106.417 11.128 13.677 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.334 10.841 12.937 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.592 12.017 14.616 1.00 0.00 N ATOM 0 H GLN A 106 104.655 8.337 11.724 1.00 0.00 H new ATOM 0 HA GLN A 106 102.494 10.104 12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.248 10.409 11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.317 11.765 11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.360 10.834 14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.150 9.377 13.705 1.00 0.00 H new ATOM 0 HE21 GLN A 106 105.822 12.259 15.239 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.499 12.470 14.727 1.00 0.00 H new ATOM 1699 N GLY A 107 102.761 9.499 9.550 1.00 0.00 N ATOM 1700 CA GLY A 107 102.095 9.807 8.247 1.00 0.00 C ATOM 1701 C GLY A 107 103.081 10.428 7.247 1.00 0.00 C ATOM 1702 O GLY A 107 102.709 10.775 6.141 1.00 0.00 O ATOM 0 H GLY A 107 103.368 8.679 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.675 8.893 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.264 10.492 8.414 1.00 0.00 H new ATOM 1706 N ASN A 108 104.329 10.563 7.602 1.00 0.00 N ATOM 1707 CA ASN A 108 105.314 11.147 6.641 1.00 0.00 C ATOM 1708 C ASN A 108 106.126 10.029 5.980 1.00 0.00 C ATOM 1709 O ASN A 108 107.152 9.602 6.477 1.00 0.00 O ATOM 1710 CB ASN A 108 106.219 12.041 7.483 1.00 0.00 C ATOM 1711 CG ASN A 108 105.459 13.296 7.913 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.430 13.620 7.355 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.932 14.023 8.888 1.00 0.00 N ATOM 0 H ASN A 108 104.710 10.297 8.510 1.00 0.00 H new ATOM 0 HA ASN A 108 104.828 11.707 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.566 11.497 8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.104 12.320 6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.437 14.865 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.796 13.749 9.355 1.00 0.00 H new ATOM 1720 N PHE A 109 105.657 9.550 4.858 1.00 0.00 N ATOM 1721 CA PHE A 109 106.364 8.453 4.138 1.00 0.00 C ATOM 1722 C PHE A 109 107.772 8.876 3.695 1.00 0.00 C ATOM 1723 O PHE A 109 108.717 8.121 3.812 1.00 0.00 O ATOM 1724 CB PHE A 109 105.489 8.176 2.894 1.00 0.00 C ATOM 1725 CG PHE A 109 104.097 7.644 3.257 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.800 7.186 4.557 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.097 7.604 2.268 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.523 6.700 4.856 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.820 7.116 2.576 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.534 6.665 3.869 1.00 0.00 C ATOM 0 H PHE A 109 104.803 9.877 4.405 1.00 0.00 H new ATOM 0 HA PHE A 109 106.493 7.580 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.383 9.095 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 109 105.994 7.453 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.560 7.211 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.314 7.950 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.300 6.350 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.055 7.088 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.549 6.290 4.105 1.00 0.00 H new ATOM 1740 N LYS A 110 107.917 10.047 3.143 1.00 0.00 N ATOM 1741 CA LYS A 110 109.262 10.462 2.645 1.00 0.00 C ATOM 1742 C LYS A 110 110.300 10.552 3.774 1.00 0.00 C ATOM 1743 O LYS A 110 111.410 10.074 3.628 1.00 0.00 O ATOM 1744 CB LYS A 110 109.047 11.839 2.028 1.00 0.00 C ATOM 1745 CG LYS A 110 108.059 11.748 0.862 1.00 0.00 C ATOM 1746 CD LYS A 110 106.795 12.561 1.183 1.00 0.00 C ATOM 1747 CE LYS A 110 107.161 14.030 1.432 1.00 0.00 C ATOM 1748 NZ LYS A 110 105.855 14.744 1.532 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.171 10.731 3.015 1.00 0.00 H new ATOM 0 HA LYS A 110 109.653 9.732 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.668 12.528 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 110 109.998 12.241 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 110 108.523 12.125 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 110 107.795 10.707 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 110 106.088 12.490 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 110 106.301 12.147 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 110 107.743 14.142 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 110 107.767 14.429 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 105.827 15.516 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 105.080 14.078 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 105.746 15.137 2.489 1.00 0.00 H new ATOM 1762 N GLN A 111 109.982 11.180 4.878 1.00 0.00 N ATOM 1763 CA GLN A 111 111.005 11.302 5.965 1.00 0.00 C ATOM 1764 C GLN A 111 111.367 9.928 6.519 1.00 0.00 C ATOM 1765 O GLN A 111 112.509 9.670 6.848 1.00 0.00 O ATOM 1766 CB GLN A 111 110.385 12.180 7.054 1.00 0.00 C ATOM 1767 CG GLN A 111 110.238 13.610 6.539 1.00 0.00 C ATOM 1768 CD GLN A 111 111.618 14.156 6.179 1.00 0.00 C ATOM 1769 OE1 GLN A 111 112.458 14.337 7.038 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.896 14.406 4.931 1.00 0.00 N ATOM 0 H GLN A 111 109.076 11.607 5.074 1.00 0.00 H new ATOM 0 HA GLN A 111 111.927 11.745 5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.411 11.785 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.011 12.167 7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 111 109.586 13.630 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.772 14.237 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 111 111.190 14.254 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 111 112.820 14.754 4.674 1.00 0.00 H new ATOM 1779 N GLY A 112 110.415 9.046 6.640 1.00 0.00 N ATOM 1780 CA GLY A 112 110.732 7.699 7.185 1.00 0.00 C ATOM 1781 C GLY A 112 111.669 6.960 6.232 1.00 0.00 C ATOM 1782 O GLY A 112 112.692 6.439 6.636 1.00 0.00 O ATOM 0 H GLY A 112 109.439 9.198 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.198 7.794 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.814 7.127 7.322 1.00 0.00 H new ATOM 1786 N LEU A 113 111.334 6.902 4.972 1.00 0.00 N ATOM 1787 CA LEU A 113 112.220 6.184 4.014 1.00 0.00 C ATOM 1788 C LEU A 113 113.589 6.861 3.944 1.00 0.00 C ATOM 1789 O LEU A 113 114.606 6.207 3.973 1.00 0.00 O ATOM 1790 CB LEU A 113 111.515 6.269 2.659 1.00 0.00 C ATOM 1791 CG LEU A 113 110.404 5.221 2.582 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.568 5.454 1.322 1.00 0.00 C ATOM 1793 CD2 LEU A 113 111.031 3.828 2.518 1.00 0.00 C ATOM 0 H LEU A 113 110.494 7.316 4.568 1.00 0.00 H new ATOM 0 HA LEU A 113 112.389 5.151 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.097 7.266 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.234 6.109 1.855 1.00 0.00 H new ATOM 0 HG LEU A 113 109.766 5.300 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.776 4.707 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.126 6.450 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.206 5.372 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.243 3.077 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.665 3.755 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.632 3.658 3.411 1.00 0.00 H new ATOM 1805 N VAL A 114 113.629 8.162 3.854 1.00 0.00 N ATOM 1806 CA VAL A 114 114.952 8.851 3.776 1.00 0.00 C ATOM 1807 C VAL A 114 115.750 8.643 5.070 1.00 0.00 C ATOM 1808 O VAL A 114 116.918 8.311 5.040 1.00 0.00 O ATOM 1809 CB VAL A 114 114.615 10.332 3.576 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.897 11.172 3.619 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.926 10.520 2.223 1.00 0.00 C ATOM 0 H VAL A 114 112.813 8.774 3.831 1.00 0.00 H new ATOM 0 HA VAL A 114 115.571 8.460 2.968 1.00 0.00 H new ATOM 0 HB VAL A 114 113.948 10.658 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.648 12.223 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.384 11.043 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.571 10.848 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.686 11.574 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.592 10.188 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.008 9.932 2.197 1.00 0.00 H new ATOM 1821 N ASP A 115 115.138 8.850 6.204 1.00 0.00 N ATOM 1822 CA ASP A 115 115.884 8.676 7.484 1.00 0.00 C ATOM 1823 C ASP A 115 116.312 7.218 7.652 1.00 0.00 C ATOM 1824 O ASP A 115 117.416 6.933 8.073 1.00 0.00 O ATOM 1825 CB ASP A 115 114.910 9.087 8.586 1.00 0.00 C ATOM 1826 CG ASP A 115 115.612 8.993 9.941 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.709 9.514 10.054 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 115.041 8.400 10.842 1.00 0.00 O ATOM 0 H ASP A 115 114.162 9.130 6.300 1.00 0.00 H new ATOM 0 HA ASP A 115 116.793 9.277 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.558 10.104 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 115 114.033 8.440 8.572 1.00 0.00 H new ATOM 1833 N GLY A 116 115.454 6.294 7.325 1.00 0.00 N ATOM 1834 CA GLY A 116 115.826 4.862 7.470 1.00 0.00 C ATOM 1835 C GLY A 116 117.026 4.574 6.575 1.00 0.00 C ATOM 1836 O GLY A 116 117.942 3.872 6.954 1.00 0.00 O ATOM 0 H GLY A 116 114.516 6.468 6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.068 4.638 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 116 114.987 4.224 7.193 1.00 0.00 H new ATOM 1840 N ILE A 117 117.035 5.122 5.391 1.00 0.00 N ATOM 1841 CA ILE A 117 118.186 4.885 4.476 1.00 0.00 C ATOM 1842 C ILE A 117 119.461 5.473 5.087 1.00 0.00 C ATOM 1843 O ILE A 117 120.507 4.853 5.071 1.00 0.00 O ATOM 1844 CB ILE A 117 117.811 5.613 3.178 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.640 4.893 2.507 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.001 5.624 2.214 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.006 5.818 1.462 1.00 0.00 C ATOM 0 H ILE A 117 116.298 5.721 5.019 1.00 0.00 H new ATOM 0 HA ILE A 117 118.378 3.826 4.302 1.00 0.00 H new ATOM 0 HB ILE A 117 117.531 6.638 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 117 116.987 3.974 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.899 4.607 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.722 6.143 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.842 6.137 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.287 4.599 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.171 5.307 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.645 6.724 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.750 6.082 0.710 1.00 0.00 H new ATOM 1859 N GLU A 118 119.390 6.662 5.626 1.00 0.00 N ATOM 1860 CA GLU A 118 120.611 7.267 6.223 1.00 0.00 C ATOM 1861 C GLU A 118 121.132 6.349 7.331 1.00 0.00 C ATOM 1862 O GLU A 118 122.309 6.060 7.409 1.00 0.00 O ATOM 1863 CB GLU A 118 120.168 8.621 6.784 1.00 0.00 C ATOM 1864 CG GLU A 118 119.770 9.554 5.633 1.00 0.00 C ATOM 1865 CD GLU A 118 119.275 10.896 6.193 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.376 11.096 7.395 1.00 0.00 O ATOM 1867 OE2 GLU A 118 118.799 11.700 5.410 1.00 0.00 O1- ATOM 0 H GLU A 118 118.547 7.234 5.677 1.00 0.00 H new ATOM 0 HA GLU A 118 121.417 7.395 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.326 8.486 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 118 120.976 9.067 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 118 120.623 9.718 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.988 9.090 5.032 1.00 0.00 H new ATOM 1874 N LYS A 119 120.257 5.866 8.170 1.00 0.00 N ATOM 1875 CA LYS A 119 120.693 4.942 9.255 1.00 0.00 C ATOM 1876 C LYS A 119 121.257 3.671 8.630 1.00 0.00 C ATOM 1877 O LYS A 119 122.271 3.152 9.054 1.00 0.00 O ATOM 1878 CB LYS A 119 119.426 4.642 10.053 1.00 0.00 C ATOM 1879 CG LYS A 119 118.989 5.908 10.784 1.00 0.00 C ATOM 1880 CD LYS A 119 117.661 5.659 11.499 1.00 0.00 C ATOM 1881 CE LYS A 119 117.214 6.950 12.181 1.00 0.00 C ATOM 1882 NZ LYS A 119 118.205 7.161 13.272 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.258 6.072 8.151 1.00 0.00 H new ATOM 0 HA LYS A 119 121.470 5.366 9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.634 4.299 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.612 3.840 10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 119 119.751 6.204 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.883 6.730 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 119 116.906 5.329 10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.773 4.863 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.210 7.787 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 119 116.202 6.860 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.764 7.706 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 118.521 6.240 13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 119.023 7.685 12.901 1.00 0.00 H new ATOM 1896 N ALA A 120 120.618 3.178 7.609 1.00 0.00 N ATOM 1897 CA ALA A 120 121.125 1.959 6.932 1.00 0.00 C ATOM 1898 C ALA A 120 122.536 2.210 6.392 1.00 0.00 C ATOM 1899 O ALA A 120 123.412 1.381 6.506 1.00 0.00 O ATOM 1900 CB ALA A 120 120.155 1.722 5.774 1.00 0.00 C ATOM 0 H ALA A 120 119.763 3.570 7.214 1.00 0.00 H new ATOM 0 HA ALA A 120 121.181 1.104 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.460 0.835 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.149 1.577 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.164 2.586 5.109 1.00 0.00 H new ATOM 1906 N GLY A 121 122.754 3.349 5.790 1.00 0.00 N ATOM 1907 CA GLY A 121 124.095 3.653 5.217 1.00 0.00 C ATOM 1908 C GLY A 121 125.144 3.780 6.324 1.00 0.00 C ATOM 1909 O GLY A 121 126.230 3.245 6.216 1.00 0.00 O ATOM 0 H GLY A 121 122.057 4.084 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.386 2.864 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.049 4.580 4.645 1.00 0.00 H new ATOM 1913 N MET A 122 124.844 4.485 7.382 1.00 0.00 N ATOM 1914 CA MET A 122 125.849 4.625 8.477 1.00 0.00 C ATOM 1915 C MET A 122 126.084 3.266 9.136 1.00 0.00 C ATOM 1916 O MET A 122 127.206 2.860 9.390 1.00 0.00 O ATOM 1917 CB MET A 122 125.222 5.606 9.472 1.00 0.00 C ATOM 1918 CG MET A 122 125.007 6.960 8.792 1.00 0.00 C ATOM 1919 SD MET A 122 126.599 7.626 8.251 1.00 0.00 S ATOM 1920 CE MET A 122 127.238 8.044 9.891 1.00 0.00 C ATOM 0 H MET A 122 123.957 4.965 7.535 1.00 0.00 H new ATOM 0 HA MET A 122 126.814 4.981 8.116 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.271 5.215 9.834 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.870 5.723 10.341 1.00 0.00 H new ATOM 0 HG2 MET A 122 124.339 6.848 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.527 7.653 9.483 1.00 0.00 H new ATOM 0 HE1 MET A 122 127.894 8.911 9.816 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.407 8.274 10.558 1.00 0.00 H new ATOM 0 HE3 MET A 122 127.799 7.199 10.289 1.00 0.00 H new ATOM 1930 N ALA A 123 125.026 2.557 9.409 1.00 0.00 N ATOM 1931 CA ALA A 123 125.179 1.225 10.048 1.00 0.00 C ATOM 1932 C ALA A 123 125.915 0.287 9.096 1.00 0.00 C ATOM 1933 O ALA A 123 126.850 -0.380 9.476 1.00 0.00 O ATOM 1934 CB ALA A 123 123.756 0.740 10.322 1.00 0.00 C ATOM 0 H ALA A 123 124.066 2.842 9.218 1.00 0.00 H new ATOM 0 HA ALA A 123 125.760 1.262 10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.791 -0.241 10.795 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.253 1.444 10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.208 0.671 9.382 1.00 0.00 H new ATOM 1940 N LEU A 124 125.525 0.264 7.851 1.00 0.00 N ATOM 1941 CA LEU A 124 126.229 -0.601 6.868 1.00 0.00 C ATOM 1942 C LEU A 124 127.680 -0.137 6.751 1.00 0.00 C ATOM 1943 O LEU A 124 128.585 -0.934 6.626 1.00 0.00 O ATOM 1944 CB LEU A 124 125.478 -0.402 5.552 1.00 0.00 C ATOM 1945 CG LEU A 124 124.096 -1.053 5.651 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.197 -0.514 4.537 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.225 -2.570 5.502 1.00 0.00 C ATOM 0 H LEU A 124 124.749 0.808 7.474 1.00 0.00 H new ATOM 0 HA LEU A 124 126.245 -1.653 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.376 0.662 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.041 -0.842 4.729 1.00 0.00 H new ATOM 0 HG LEU A 124 123.660 -0.819 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.213 -0.977 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.097 0.567 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.639 -0.746 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.238 -3.028 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.665 -2.804 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.864 -2.960 6.294 1.00 0.00 H new ATOM 1959 N ALA A 125 127.910 1.151 6.771 1.00 0.00 N ATOM 1960 CA ALA A 125 129.304 1.662 6.638 1.00 0.00 C ATOM 1961 C ALA A 125 130.220 1.023 7.687 1.00 0.00 C ATOM 1962 O ALA A 125 131.375 0.751 7.423 1.00 0.00 O ATOM 1963 CB ALA A 125 129.195 3.170 6.852 1.00 0.00 C ATOM 0 H ALA A 125 127.193 1.869 6.874 1.00 0.00 H new ATOM 0 HA ALA A 125 129.738 1.420 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.184 3.622 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.536 3.598 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.787 3.368 7.843 1.00 0.00 H new ATOM 1969 N LYS A 126 129.723 0.762 8.869 1.00 0.00 N ATOM 1970 CA LYS A 126 130.591 0.121 9.902 1.00 0.00 C ATOM 1971 C LYS A 126 131.067 -1.245 9.403 1.00 0.00 C ATOM 1972 O LYS A 126 132.200 -1.635 9.604 1.00 0.00 O ATOM 1973 CB LYS A 126 129.709 -0.048 11.140 1.00 0.00 C ATOM 1974 CG LYS A 126 130.542 -0.676 12.258 1.00 0.00 C ATOM 1975 CD LYS A 126 129.684 -0.856 13.510 1.00 0.00 C ATOM 1976 CE LYS A 126 130.538 -1.471 14.620 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.607 -1.659 15.764 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.766 0.962 9.161 1.00 0.00 H new ATOM 0 HA LYS A 126 131.475 0.720 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.317 0.918 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 126 128.851 -0.679 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.933 -1.640 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.400 -0.043 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.284 0.105 13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.831 -1.499 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 126 130.972 -2.420 14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.366 -0.816 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.121 -2.078 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.215 -0.738 16.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.832 -2.293 15.481 1.00 0.00 H new ATOM 1991 N TYR A 127 130.205 -1.968 8.749 1.00 0.00 N ATOM 1992 CA TYR A 127 130.596 -3.309 8.223 1.00 0.00 C ATOM 1993 C TYR A 127 131.294 -3.166 6.869 1.00 0.00 C ATOM 1994 O TYR A 127 132.208 -3.899 6.547 1.00 0.00 O ATOM 1995 CB TYR A 127 129.283 -4.073 8.079 1.00 0.00 C ATOM 1996 CG TYR A 127 128.678 -4.284 9.445 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.859 -3.300 9.999 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.939 -5.461 10.155 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.295 -3.488 11.267 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.378 -5.651 11.424 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.555 -4.665 11.981 1.00 0.00 C ATOM 2002 OH TYR A 127 127.001 -4.853 13.232 1.00 0.00 O ATOM 0 H TYR A 127 129.243 -1.690 8.554 1.00 0.00 H new ATOM 0 HA TYR A 127 131.295 -3.825 8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.593 -3.517 7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.459 -5.033 7.594 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.660 -2.392 9.449 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.573 -6.222 9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.660 -2.726 11.694 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.580 -6.559 11.973 1.00 0.00 H new ATOM 0 HH TYR A 127 127.282 -5.722 13.587 1.00 0.00 H new ATOM 2012 N PHE A 128 130.882 -2.214 6.080 1.00 0.00 N ATOM 2013 CA PHE A 128 131.528 -2.003 4.757 1.00 0.00 C ATOM 2014 C PHE A 128 131.986 -0.541 4.648 1.00 0.00 C ATOM 2015 O PHE A 128 131.205 0.326 4.313 1.00 0.00 O ATOM 2016 CB PHE A 128 130.450 -2.330 3.720 1.00 0.00 C ATOM 2017 CG PHE A 128 130.199 -3.820 3.718 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.232 -4.706 3.385 1.00 0.00 C ATOM 2019 CD2 PHE A 128 128.934 -4.315 4.051 1.00 0.00 C ATOM 2020 CE1 PHE A 128 130.999 -6.087 3.385 1.00 0.00 C ATOM 2021 CE2 PHE A 128 128.701 -5.696 4.052 1.00 0.00 C ATOM 2022 CZ PHE A 128 129.732 -6.582 3.718 1.00 0.00 C ATOM 0 H PHE A 128 130.121 -1.570 6.297 1.00 0.00 H new ATOM 0 HA PHE A 128 132.409 -2.628 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.530 -1.794 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 128 130.768 -2.001 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.209 -4.324 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.137 -3.633 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 128 131.796 -6.770 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 128 127.725 -6.078 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.550 -7.647 3.717 1.00 0.00 H new ATOM 2032 N PRO A 129 133.254 -0.315 4.947 1.00 0.00 N ATOM 2033 CA PRO A 129 133.815 1.057 4.888 1.00 0.00 C ATOM 2034 C PRO A 129 133.912 1.521 3.436 1.00 0.00 C ATOM 2035 O PRO A 129 134.101 0.732 2.532 1.00 0.00 O ATOM 2036 CB PRO A 129 135.198 0.911 5.522 1.00 0.00 C ATOM 2037 CG PRO A 129 135.562 -0.522 5.321 1.00 0.00 C ATOM 2038 CD PRO A 129 134.276 -1.302 5.349 1.00 0.00 C ATOM 0 HA PRO A 129 133.204 1.799 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.922 1.573 5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.177 1.169 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.078 -0.661 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.239 -0.863 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.307 -2.148 4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.074 -1.705 6.342 1.00 0.00 H new ATOM 2046 N TRP A 130 133.777 2.797 3.203 1.00 0.00 N ATOM 2047 CA TRP A 130 133.852 3.309 1.809 1.00 0.00 C ATOM 2048 C TRP A 130 135.297 3.332 1.319 1.00 0.00 C ATOM 2049 O TRP A 130 136.179 3.847 1.977 1.00 0.00 O ATOM 2050 CB TRP A 130 133.313 4.735 1.876 1.00 0.00 C ATOM 2051 CG TRP A 130 133.215 5.263 0.486 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.253 4.923 -0.396 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.089 6.204 -0.202 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.478 5.587 -1.586 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.598 6.392 -1.516 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.245 6.907 0.181 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.234 7.244 -2.419 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.887 7.766 -0.726 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.382 7.934 -2.023 1.00 0.00 C ATOM 0 H TRP A 130 133.618 3.506 3.919 1.00 0.00 H new ATOM 0 HA TRP A 130 133.287 2.679 1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.335 4.749 2.358 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.973 5.363 2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.438 4.241 -0.203 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.890 5.494 -2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.641 6.786 1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.841 7.369 -3.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.775 8.300 -0.422 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.880 8.596 -2.715 1.00 0.00 H new ATOM 2070 N LYS A 131 135.543 2.805 0.156 1.00 0.00 N ATOM 2071 CA LYS A 131 136.925 2.830 -0.391 1.00 0.00 C ATOM 2072 C LYS A 131 136.971 3.793 -1.577 1.00 0.00 C ATOM 2073 O LYS A 131 135.980 4.009 -2.244 1.00 0.00 O ATOM 2074 CB LYS A 131 137.213 1.401 -0.842 1.00 0.00 C ATOM 2075 CG LYS A 131 137.235 0.478 0.373 1.00 0.00 C ATOM 2076 CD LYS A 131 137.445 -0.964 -0.089 1.00 0.00 C ATOM 2077 CE LYS A 131 137.482 -1.885 1.131 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.595 -3.267 0.582 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.847 2.358 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 131 137.662 3.165 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.452 1.071 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.170 1.358 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.033 0.773 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.299 0.562 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.641 -1.264 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.376 -1.046 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.328 -1.648 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.581 -1.774 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 137.625 -3.950 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 136.773 -3.469 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.466 -3.347 0.019 1.00 0.00 H new ATOM 2092 N LYS A 132 138.092 4.408 -1.823 1.00 0.00 N ATOM 2093 CA LYS A 132 138.157 5.393 -2.939 1.00 0.00 C ATOM 2094 C LYS A 132 137.770 4.730 -4.257 1.00 0.00 C ATOM 2095 O LYS A 132 137.228 5.366 -5.140 1.00 0.00 O ATOM 2096 CB LYS A 132 139.598 5.895 -2.956 1.00 0.00 C ATOM 2097 CG LYS A 132 139.873 6.637 -1.649 1.00 0.00 C ATOM 2098 CD LYS A 132 141.304 7.174 -1.644 1.00 0.00 C ATOM 2099 CE LYS A 132 141.556 7.911 -0.327 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.959 8.402 -0.417 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.960 4.274 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 132 137.460 6.220 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.288 5.059 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.758 6.557 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.167 7.459 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.724 5.967 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.014 6.355 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.456 7.848 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.857 8.737 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.425 7.247 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.203 8.918 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.603 7.594 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.052 9.038 -1.235 1.00 0.00 H new ATOM 2114 N ASP A 133 138.015 3.456 -4.395 1.00 0.00 N ATOM 2115 CA ASP A 133 137.615 2.775 -5.657 1.00 0.00 C ATOM 2116 C ASP A 133 136.204 2.164 -5.527 1.00 0.00 C ATOM 2117 O ASP A 133 135.764 1.420 -6.381 1.00 0.00 O ATOM 2118 CB ASP A 133 138.663 1.687 -5.903 1.00 0.00 C ATOM 2119 CG ASP A 133 140.016 2.333 -6.211 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.025 3.500 -6.567 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.017 1.648 -6.092 1.00 0.00 O ATOM 0 H ASP A 133 138.469 2.864 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 133 137.573 3.477 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.747 1.045 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.354 1.053 -6.734 1.00 0.00 H new ATOM 2126 N ASP A 134 135.502 2.459 -4.443 1.00 0.00 N ATOM 2127 CA ASP A 134 134.131 1.891 -4.223 1.00 0.00 C ATOM 2128 C ASP A 134 133.295 1.908 -5.497 1.00 0.00 C ATOM 2129 O ASP A 134 133.305 2.854 -6.259 1.00 0.00 O ATOM 2130 CB ASP A 134 133.490 2.810 -3.183 1.00 0.00 C ATOM 2131 CG ASP A 134 132.111 2.266 -2.785 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.643 1.342 -3.430 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.540 2.793 -1.845 1.00 0.00 O ATOM 0 H ASP A 134 135.830 3.075 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 134 134.188 0.850 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.130 2.881 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.390 3.817 -3.587 1.00 0.00 H new ATOM 2138 N ILE A 135 132.582 0.843 -5.729 1.00 0.00 N ATOM 2139 CA ILE A 135 131.743 0.742 -6.956 1.00 0.00 C ATOM 2140 C ILE A 135 130.254 0.660 -6.602 1.00 0.00 C ATOM 2141 O ILE A 135 129.878 0.222 -5.532 1.00 0.00 O ATOM 2142 CB ILE A 135 132.200 -0.544 -7.691 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.495 -1.716 -6.725 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.471 -0.231 -8.481 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.279 -2.017 -5.852 1.00 0.00 C ATOM 0 H ILE A 135 132.544 0.029 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 135 131.866 1.624 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 135 131.384 -0.855 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 135 132.768 -2.604 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.349 -1.468 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 135 133.804 -1.127 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.264 0.556 -9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.252 0.102 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.509 -2.844 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.024 -1.134 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.434 -2.288 -6.486 1.00 0.00 H new ATOM 2157 N ASP A 136 129.396 1.099 -7.485 1.00 0.00 N ATOM 2158 CA ASP A 136 127.936 1.048 -7.190 1.00 0.00 C ATOM 2159 C ASP A 136 127.242 0.058 -8.137 1.00 0.00 C ATOM 2160 O ASP A 136 126.962 0.359 -9.281 1.00 0.00 O ATOM 2161 CB ASP A 136 127.434 2.472 -7.444 1.00 0.00 C ATOM 2162 CG ASP A 136 127.904 3.402 -6.321 1.00 0.00 C ATOM 2163 OD1 ASP A 136 128.349 2.896 -5.303 1.00 0.00 O ATOM 2164 OD2 ASP A 136 127.809 4.606 -6.497 1.00 0.00 O1- ATOM 0 H ASP A 136 129.643 1.489 -8.394 1.00 0.00 H new ATOM 0 HA ASP A 136 127.729 0.716 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 136 127.805 2.831 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 136 126.345 2.478 -7.500 1.00 0.00 H new ATOM 2169 N GLU A 137 126.993 -1.133 -7.660 1.00 0.00 N ATOM 2170 CA GLU A 137 126.345 -2.185 -8.501 1.00 0.00 C ATOM 2171 C GLU A 137 124.891 -1.846 -8.835 1.00 0.00 C ATOM 2172 O GLU A 137 124.421 -2.104 -9.925 1.00 0.00 O ATOM 2173 CB GLU A 137 126.372 -3.437 -7.625 1.00 0.00 C ATOM 2174 CG GLU A 137 127.821 -3.835 -7.350 1.00 0.00 C ATOM 2175 CD GLU A 137 128.505 -4.211 -8.666 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.798 -4.529 -9.609 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.722 -4.169 -8.711 1.00 0.00 O1- ATOM 0 H GLU A 137 127.214 -1.427 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 137 126.863 -2.295 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 137 125.851 -3.248 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 137 125.848 -4.253 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.352 -3.010 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 137 127.853 -4.676 -6.658 1.00 0.00 H new ATOM 2184 N LEU A 138 124.166 -1.303 -7.901 1.00 0.00 N ATOM 2185 CA LEU A 138 122.734 -0.989 -8.172 1.00 0.00 C ATOM 2186 C LEU A 138 122.517 0.516 -8.374 1.00 0.00 C ATOM 2187 O LEU A 138 123.237 1.321 -7.817 1.00 0.00 O ATOM 2188 CB LEU A 138 121.999 -1.451 -6.917 1.00 0.00 C ATOM 2189 CG LEU A 138 121.299 -2.782 -7.187 1.00 0.00 C ATOM 2190 CD1 LEU A 138 122.106 -3.915 -6.556 1.00 0.00 C ATOM 2191 CD2 LEU A 138 119.898 -2.749 -6.573 1.00 0.00 C ATOM 0 H LEU A 138 124.498 -1.063 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 138 122.382 -1.477 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.703 -1.561 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.269 -0.700 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 138 121.222 -2.946 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.609 -4.866 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.106 -3.935 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 138 122.180 -3.754 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 138 119.395 -3.697 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 138 119.976 -2.589 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.324 -1.937 -7.020 1.00 0.00 H new ATOM 2203 N PRO A 139 121.505 0.856 -9.142 1.00 0.00 N ATOM 2204 CA PRO A 139 121.186 2.284 -9.371 1.00 0.00 C ATOM 2205 C PRO A 139 120.484 2.835 -8.134 1.00 0.00 C ATOM 2206 O PRO A 139 120.459 2.198 -7.099 1.00 0.00 O ATOM 2207 CB PRO A 139 120.236 2.254 -10.565 1.00 0.00 C ATOM 2208 CG PRO A 139 119.601 0.902 -10.527 1.00 0.00 C ATOM 2209 CD PRO A 139 120.574 -0.034 -9.862 1.00 0.00 C ATOM 0 HA PRO A 139 122.059 2.910 -9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.487 3.043 -10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.774 2.410 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.662 0.935 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.367 0.560 -11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.067 -0.715 -9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.098 -0.649 -10.594 1.00 0.00 H new ATOM 2217 N ASN A 140 119.885 3.986 -8.223 1.00 0.00 N ATOM 2218 CA ASN A 140 119.152 4.537 -7.051 1.00 0.00 C ATOM 2219 C ASN A 140 117.681 4.813 -7.432 1.00 0.00 C ATOM 2220 O ASN A 140 116.911 5.319 -6.638 1.00 0.00 O ATOM 2221 CB ASN A 140 119.879 5.843 -6.721 1.00 0.00 C ATOM 2222 CG ASN A 140 119.791 6.801 -7.913 1.00 0.00 C ATOM 2223 OD1 ASN A 140 118.664 7.406 -8.168 1.00 0.00 O flip ATOM 2224 ND2 ASN A 140 120.760 7.000 -8.619 1.00 0.00 N flip ATOM 0 H ASN A 140 119.871 4.571 -9.058 1.00 0.00 H new ATOM 0 HA ASN A 140 119.136 3.852 -6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 140 119.435 6.304 -5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.923 5.639 -6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 140 121.642 6.527 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 140 120.692 7.640 -9.410 1.00 0.00 H new ATOM 2231 N THR A 141 117.285 4.495 -8.648 1.00 0.00 N ATOM 2232 CA THR A 141 115.878 4.746 -9.086 1.00 0.00 C ATOM 2233 C THR A 141 114.884 3.902 -8.285 1.00 0.00 C ATOM 2234 O THR A 141 115.084 2.725 -8.054 1.00 0.00 O ATOM 2235 CB THR A 141 115.862 4.347 -10.567 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.891 5.050 -11.249 1.00 0.00 O ATOM 2237 CG2 THR A 141 114.510 4.690 -11.190 1.00 0.00 C ATOM 0 H THR A 141 117.884 4.070 -9.356 1.00 0.00 H new ATOM 0 HA THR A 141 115.580 5.783 -8.928 1.00 0.00 H new ATOM 0 HB THR A 141 116.027 3.273 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.887 4.798 -12.196 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.510 4.402 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 141 113.721 4.150 -10.666 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.333 5.762 -11.107 1.00 0.00 H new ATOM 2245 N ILE A 142 113.808 4.508 -7.868 1.00 0.00 N ATOM 2246 CA ILE A 142 112.778 3.772 -7.087 1.00 0.00 C ATOM 2247 C ILE A 142 112.043 2.790 -7.999 1.00 0.00 C ATOM 2248 O ILE A 142 111.712 3.109 -9.124 1.00 0.00 O ATOM 2249 CB ILE A 142 111.831 4.862 -6.581 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.602 5.806 -5.656 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.670 4.231 -5.810 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.725 7.011 -5.308 1.00 0.00 C ATOM 0 H ILE A 142 113.597 5.492 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 142 113.199 3.188 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 142 111.433 5.417 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 142 112.895 5.282 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.519 6.139 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.001 5.015 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.121 3.556 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.059 3.672 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.275 7.683 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.454 7.540 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.820 6.669 -4.805 1.00 0.00 H new ATOM 2264 N SER A 143 111.775 1.605 -7.530 1.00 0.00 N ATOM 2265 CA SER A 143 111.051 0.623 -8.383 1.00 0.00 C ATOM 2266 C SER A 143 109.569 0.611 -8.011 1.00 0.00 C ATOM 2267 O SER A 143 109.177 0.008 -7.034 1.00 0.00 O ATOM 2268 CB SER A 143 111.704 -0.725 -8.076 1.00 0.00 C ATOM 2269 OG SER A 143 111.146 -1.722 -8.921 1.00 0.00 O ATOM 0 H SER A 143 112.024 1.274 -6.598 1.00 0.00 H new ATOM 0 HA SER A 143 111.110 0.863 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.781 -0.663 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.546 -0.989 -7.030 1.00 0.00 H new ATOM 0 HG SER A 143 110.412 -2.173 -8.454 1.00 0.00 H new ATOM 2275 N LYS A 144 108.736 1.278 -8.765 1.00 0.00 N ATOM 2276 CA LYS A 144 107.287 1.286 -8.422 1.00 0.00 C ATOM 2277 C LYS A 144 106.554 0.288 -9.325 1.00 0.00 C ATOM 2278 O LYS A 144 106.929 0.080 -10.462 1.00 0.00 O ATOM 2279 CB LYS A 144 106.818 2.717 -8.692 1.00 0.00 C ATOM 2280 CG LYS A 144 107.540 3.687 -7.753 1.00 0.00 C ATOM 2281 CD LYS A 144 107.100 5.120 -8.067 1.00 0.00 C ATOM 2282 CE LYS A 144 107.795 6.098 -7.116 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.309 7.444 -7.532 1.00 0.00 N1+ ATOM 0 H LYS A 144 108.994 1.812 -9.595 1.00 0.00 H new ATOM 0 HA LYS A 144 107.092 0.997 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.018 2.985 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.740 2.790 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.312 3.444 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.619 3.591 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.345 5.367 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.018 5.208 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.539 5.889 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.880 6.026 -7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.602 8.152 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.714 7.688 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.271 7.433 -7.600 1.00 0.00 H new ATOM 2297 N GLY A 145 105.518 -0.332 -8.835 1.00 0.00 N ATOM 2298 CA GLY A 145 104.780 -1.314 -9.680 1.00 0.00 C ATOM 2299 C GLY A 145 104.231 -0.612 -10.922 1.00 0.00 C ATOM 2300 O GLY A 145 103.285 0.146 -10.781 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.765 -0.843 -11.994 1.00 0.00 O ATOM 0 H GLY A 145 105.151 -0.203 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.444 -2.128 -9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 145 103.964 -1.758 -9.110 1.00 0.00 H new