USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 859 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 52 THR OG1 : rot 144:sc= 0.224 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.462 USER MOD Set 2.1: A 98 THR OG1 : rot -60:sc= 0.583 USER MOD Set 2.2: A 129 HIS :FLIP no HD1:sc= -3.16! F(o=-3.2,f=-2.6!) USER MOD Set 3.1: A 80 SER OG : rot -92:sc= 1.2 USER MOD Set 3.2: A 81 GLN :FLIP amide:sc= 0.901 F(o=-0.75,f=2.1) USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 118:sc= 1.95 USER MOD Set 5.1: A 47 LYS NZ :NH3+ 160:sc= 0.329 (180deg=-0.486) USER MOD Set 5.2: A 48 SER OG : rot 180:sc= 0.405 USER MOD Set 6.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 102 TYR OH : rot -48:sc= 0.0292 USER MOD Set 7.1: A 20 LYS NZ :NH3+ 178:sc= 0.0346 (180deg=0) USER MOD Set 7.2: A 21 ASN :FLIP amide:sc= -0.352 F(o=-2.7!,f=-0.32) USER MOD Single : A 8 ASN : amide:sc= -4.25! C(o=-4.2!,f=-7.6!) USER MOD Single : A 9 LYS NZ :NH3+ -129:sc= -0.0538 (180deg=-0.613) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.152 (180deg=-0.774) USER MOD Single : A 17 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 19 ASN : amide:sc= -13.2! C(o=-13!,f=-14!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.1!) USER MOD Single : A 34 TYR OH : rot 180:sc=-0.000797 USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.0289 (180deg=-0.558) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.595 F(o=-3.2,f=-0.59) USER MOD Single : A 39 SER OG : rot -14:sc= 0.452! USER MOD Single : A 41 ASN :FLIP amide:sc= -0.829 F(o=-4.4!,f=-0.83) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -1.9! (180deg=-2.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 56 THR OG1 : rot 162:sc= -0.59 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -104:sc= -1.47 (180deg=-2.93!) USER MOD Single : A 71 THR OG1 : rot -36:sc= 0.323 USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.245 (180deg=-0.736) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0192 F(o=-2.1!,f=-0.019) USER MOD Single : A 87 THR OG1 : rot 62:sc= -0.306 USER MOD Single : A 91 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.64) USER MOD Single : A 93 MET CE :methyl -121:sc= -0.74 (180deg=-6.54!) USER MOD Single : A 97 SER OG : rot -59:sc= 0.149 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 139:sc= -4.39! USER MOD Single : A 121 ASN : amide:sc= 0.426 K(o=0.43,f=-0.46) USER MOD Single : A 123 THR OG1 : rot 170:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -136:sc= -0.102 (180deg=-2.04!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.949 21.104 9.888 1.00 1.00 N ATOM 104 CA GLU A 7 98.386 19.958 10.598 1.00 1.00 C ATOM 105 C GLU A 7 98.956 18.663 10.053 1.00 1.00 C ATOM 106 O GLU A 7 99.481 17.833 10.787 1.00 1.00 O ATOM 107 CB GLU A 7 96.871 19.916 10.447 1.00 1.00 C ATOM 108 CG GLU A 7 96.281 21.311 10.598 1.00 1.00 C ATOM 109 CD GLU A 7 94.761 21.217 10.701 1.00 1.00 C ATOM 110 OE1 GLU A 7 94.191 20.399 9.997 1.00 1.00 O ATOM 111 OE2 GLU A 7 94.190 21.961 11.481 1.00 1.00 O ATOM 0 HA GLU A 7 98.646 20.066 11.651 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.608 19.507 9.471 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.443 19.251 11.197 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.686 21.794 11.487 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.560 21.929 9.745 1.00 1.00 H new ATOM 118 N ASN A 8 98.857 18.513 8.753 1.00 1.00 N ATOM 119 CA ASN A 8 99.365 17.323 8.093 1.00 1.00 C ATOM 120 C ASN A 8 100.842 17.216 8.363 1.00 1.00 C ATOM 121 O ASN A 8 101.394 16.128 8.526 1.00 1.00 O ATOM 122 CB ASN A 8 99.111 17.435 6.598 1.00 1.00 C ATOM 123 CG ASN A 8 97.630 17.640 6.353 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.837 17.581 7.287 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.208 17.850 5.140 1.00 1.00 N ATOM 0 H ASN A 8 98.431 19.197 8.128 1.00 1.00 H new ATOM 0 HA ASN A 8 98.862 16.433 8.471 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.678 18.268 6.183 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.453 16.533 6.091 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.211 17.967 4.960 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.874 17.898 4.369 1.00 1.00 H new ATOM 132 N LYS A 9 101.465 18.370 8.411 1.00 1.00 N ATOM 133 CA LYS A 9 102.888 18.456 8.668 1.00 1.00 C ATOM 134 C LYS A 9 103.224 17.977 10.086 1.00 1.00 C ATOM 135 O LYS A 9 104.108 17.151 10.267 1.00 1.00 O ATOM 136 CB LYS A 9 103.314 19.927 8.466 1.00 1.00 C ATOM 137 CG LYS A 9 104.544 20.298 9.304 1.00 1.00 C ATOM 138 CD LYS A 9 105.299 21.498 8.692 1.00 1.00 C ATOM 139 CE LYS A 9 104.513 22.804 8.846 1.00 1.00 C ATOM 140 NZ LYS A 9 103.645 22.992 7.650 1.00 1.00 N ATOM 0 H LYS A 9 101.006 19.271 8.275 1.00 1.00 H new ATOM 0 HA LYS A 9 103.432 17.808 7.981 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.531 20.099 7.412 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.485 20.583 8.732 1.00 1.00 H new ATOM 0 HG2 LYS A 9 104.234 20.541 10.321 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.213 19.440 9.371 1.00 1.00 H new ATOM 0 HD2 LYS A 9 106.271 21.600 9.174 1.00 1.00 H new ATOM 0 HD3 LYS A 9 105.486 21.309 7.635 1.00 1.00 H new ATOM 0 HE2 LYS A 9 103.906 22.773 9.751 1.00 1.00 H new ATOM 0 HE3 LYS A 9 105.198 23.646 8.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 103.794 23.944 7.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 103.887 22.281 6.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 102.648 22.882 7.924 1.00 1.00 H new ATOM 154 N VAL A 10 102.534 18.495 11.094 1.00 1.00 N ATOM 155 CA VAL A 10 102.844 18.092 12.461 1.00 1.00 C ATOM 156 C VAL A 10 102.497 16.634 12.718 1.00 1.00 C ATOM 157 O VAL A 10 103.316 15.876 13.237 1.00 1.00 O ATOM 158 CB VAL A 10 102.119 18.987 13.466 1.00 1.00 C ATOM 159 CG1 VAL A 10 102.321 18.438 14.868 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.685 20.405 13.377 1.00 1.00 C ATOM 0 H VAL A 10 101.779 19.174 10.999 1.00 1.00 H new ATOM 0 HA VAL A 10 103.920 18.206 12.591 1.00 1.00 H new ATOM 0 HB VAL A 10 101.053 19.008 13.240 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.805 19.075 15.586 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.918 17.427 14.924 1.00 1.00 H new ATOM 0 HG13 VAL A 10 103.386 18.418 15.101 1.00 1.00 H new ATOM 0 HG21 VAL A 10 102.171 21.047 14.092 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.750 20.387 13.606 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.537 20.793 12.369 1.00 1.00 H new ATOM 164 N LYS A 11 101.295 16.239 12.340 1.00 1.00 N ATOM 165 CA LYS A 11 100.883 14.868 12.528 1.00 1.00 C ATOM 166 C LYS A 11 101.807 13.995 11.713 1.00 1.00 C ATOM 167 O LYS A 11 102.197 12.912 12.134 1.00 1.00 O ATOM 168 CB LYS A 11 99.430 14.670 12.095 1.00 1.00 C ATOM 169 CG LYS A 11 98.456 15.227 13.155 1.00 1.00 C ATOM 170 CD LYS A 11 98.303 16.740 12.999 1.00 1.00 C ATOM 171 CE LYS A 11 97.530 17.299 14.190 1.00 1.00 C ATOM 172 NZ LYS A 11 96.449 16.349 14.575 1.00 1.00 N ATOM 0 H LYS A 11 100.597 16.843 11.906 1.00 1.00 H new ATOM 0 HA LYS A 11 100.942 14.600 13.583 1.00 1.00 H new ATOM 0 HB2 LYS A 11 99.260 15.170 11.141 1.00 1.00 H new ATOM 0 HB3 LYS A 11 99.235 13.609 11.938 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.484 14.745 13.053 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.824 14.994 14.154 1.00 1.00 H new ATOM 0 HD2 LYS A 11 99.284 17.211 12.935 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.779 16.969 12.071 1.00 1.00 H new ATOM 0 HE2 LYS A 11 98.204 17.459 15.031 1.00 1.00 H new ATOM 0 HE3 LYS A 11 97.102 18.269 13.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.738 16.846 15.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.999 15.969 13.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.855 15.568 15.129 1.00 1.00 H new ATOM 186 N GLY A 12 102.159 14.498 10.542 1.00 1.00 N ATOM 187 CA GLY A 12 103.054 13.776 9.648 1.00 1.00 C ATOM 188 C GLY A 12 104.486 13.724 10.179 1.00 1.00 C ATOM 189 O GLY A 12 105.096 12.660 10.217 1.00 1.00 O ATOM 0 H GLY A 12 101.841 15.400 10.187 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.683 12.760 9.509 1.00 1.00 H new ATOM 0 HA3 GLY A 12 103.049 14.254 8.669 1.00 1.00 H new ATOM 193 N GLU A 13 105.024 14.861 10.609 1.00 1.00 N ATOM 194 CA GLU A 13 106.385 14.867 11.141 1.00 1.00 C ATOM 195 C GLU A 13 106.457 13.942 12.340 1.00 1.00 C ATOM 196 O GLU A 13 107.489 13.327 12.610 1.00 1.00 O ATOM 197 CB GLU A 13 106.818 16.281 11.550 1.00 1.00 C ATOM 198 CG GLU A 13 107.098 17.117 10.305 1.00 1.00 C ATOM 199 CD GLU A 13 107.386 18.563 10.690 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.594 19.363 9.793 1.00 1.00 O ATOM 201 OE2 GLU A 13 107.398 18.851 11.876 1.00 1.00 O ATOM 0 H GLU A 13 104.556 15.767 10.602 1.00 1.00 H new ATOM 0 HA GLU A 13 107.062 14.521 10.360 1.00 1.00 H new ATOM 0 HB2 GLU A 13 106.037 16.752 12.147 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.710 16.232 12.174 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.948 16.702 9.764 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.242 17.077 9.632 1.00 1.00 H new ATOM 208 N ALA A 14 105.341 13.841 13.043 1.00 1.00 N ATOM 209 CA ALA A 14 105.246 12.989 14.203 1.00 1.00 C ATOM 210 C ALA A 14 105.069 11.540 13.771 1.00 1.00 C ATOM 211 O ALA A 14 105.574 10.612 14.404 1.00 1.00 O ATOM 212 CB ALA A 14 104.064 13.423 15.066 1.00 1.00 C ATOM 0 H ALA A 14 104.483 14.347 12.822 1.00 1.00 H new ATOM 0 HA ALA A 14 106.164 13.075 14.785 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.996 12.777 15.941 1.00 1.00 H new ATOM 0 HB2 ALA A 14 104.207 14.455 15.387 1.00 1.00 H new ATOM 0 HB3 ALA A 14 103.144 13.348 14.487 1.00 1.00 H new ATOM 218 N PHE A 15 104.341 11.372 12.676 1.00 1.00 N ATOM 219 CA PHE A 15 104.063 10.055 12.120 1.00 1.00 C ATOM 220 C PHE A 15 105.358 9.357 11.740 1.00 1.00 C ATOM 221 O PHE A 15 105.590 8.212 12.126 1.00 1.00 O ATOM 222 CB PHE A 15 103.189 10.270 10.892 1.00 1.00 C ATOM 223 CG PHE A 15 102.704 8.978 10.306 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.338 8.455 9.182 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.582 8.344 10.841 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.850 7.293 8.588 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.100 7.170 10.257 1.00 1.00 C ATOM 228 CZ PHE A 15 101.735 6.647 9.128 1.00 1.00 C ATOM 0 H PHE A 15 103.928 12.142 12.150 1.00 1.00 H new ATOM 0 HA PHE A 15 103.556 9.422 12.849 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.333 10.888 11.162 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.754 10.819 10.138 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.206 8.949 8.771 1.00 1.00 H new ATOM 0 HD2 PHE A 15 101.087 8.760 11.706 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.334 6.891 7.710 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.240 6.669 10.677 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.363 5.741 8.672 1.00 1.00 H new ATOM 238 N LEU A 16 106.212 10.061 11.009 1.00 1.00 N ATOM 239 CA LEU A 16 107.499 9.490 10.627 1.00 1.00 C ATOM 240 C LEU A 16 108.349 9.308 11.864 1.00 1.00 C ATOM 241 O LEU A 16 109.058 8.312 12.011 1.00 1.00 O ATOM 242 CB LEU A 16 108.258 10.394 9.645 1.00 1.00 C ATOM 243 CG LEU A 16 107.613 10.376 8.242 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.475 11.408 8.140 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.690 10.698 7.204 1.00 1.00 C ATOM 0 H LEU A 16 106.044 11.009 10.674 1.00 1.00 H new ATOM 0 HA LEU A 16 107.305 8.535 10.138 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.273 11.415 10.026 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.295 10.065 9.574 1.00 1.00 H new ATOM 0 HG LEU A 16 107.190 9.388 8.061 1.00 1.00 H new ATOM 0 HD11 LEU A 16 106.040 11.372 7.141 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.707 11.177 8.879 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.871 12.406 8.328 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.249 10.689 6.207 1.00 1.00 H new ATOM 0 HD22 LEU A 16 109.108 11.684 7.407 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.482 9.951 7.257 1.00 1.00 H new ATOM 257 N THR A 17 108.280 10.283 12.748 1.00 1.00 N ATOM 258 CA THR A 17 109.059 10.217 13.967 1.00 1.00 C ATOM 259 C THR A 17 108.633 9.012 14.782 1.00 1.00 C ATOM 260 O THR A 17 109.460 8.309 15.358 1.00 1.00 O ATOM 261 CB THR A 17 108.903 11.482 14.804 1.00 1.00 C ATOM 262 OG1 THR A 17 109.361 12.604 14.064 1.00 1.00 O ATOM 263 CG2 THR A 17 109.728 11.340 16.078 1.00 1.00 C ATOM 0 H THR A 17 107.702 11.118 12.648 1.00 1.00 H new ATOM 0 HA THR A 17 110.109 10.126 13.688 1.00 1.00 H new ATOM 0 HB THR A 17 107.853 11.626 15.059 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.597 13.054 13.647 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.622 12.241 16.682 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.376 10.479 16.645 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.777 11.199 15.818 1.00 1.00 H new ATOM 271 N GLU A 18 107.330 8.789 14.838 1.00 1.00 N ATOM 272 CA GLU A 18 106.793 7.673 15.578 1.00 1.00 C ATOM 273 C GLU A 18 106.997 6.360 14.829 1.00 1.00 C ATOM 274 O GLU A 18 107.343 5.343 15.429 1.00 1.00 O ATOM 275 CB GLU A 18 105.313 7.898 15.864 1.00 1.00 C ATOM 276 CG GLU A 18 104.746 6.689 16.611 1.00 1.00 C ATOM 277 CD GLU A 18 103.358 7.007 17.154 1.00 1.00 C ATOM 278 OE1 GLU A 18 103.252 7.245 18.345 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.419 6.993 16.373 1.00 1.00 O ATOM 0 H GLU A 18 106.629 9.370 14.378 1.00 1.00 H new ATOM 0 HA GLU A 18 107.332 7.603 16.523 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.180 8.801 16.459 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.771 8.049 14.931 1.00 1.00 H new ATOM 0 HG2 GLU A 18 104.694 5.831 15.941 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.411 6.415 17.430 1.00 1.00 H new ATOM 286 N ASN A 19 106.746 6.377 13.521 1.00 1.00 N ATOM 287 CA ASN A 19 106.877 5.156 12.727 1.00 1.00 C ATOM 288 C ASN A 19 108.292 4.599 12.732 1.00 1.00 C ATOM 289 O ASN A 19 108.482 3.395 12.897 1.00 1.00 O ATOM 290 CB ASN A 19 106.467 5.415 11.287 1.00 1.00 C ATOM 291 CG ASN A 19 106.589 4.128 10.496 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.035 3.101 10.885 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.282 4.125 9.405 1.00 1.00 N ATOM 0 H ASN A 19 106.457 7.203 12.997 1.00 1.00 H new ATOM 0 HA ASN A 19 106.219 4.420 13.189 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.442 5.784 11.249 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.100 6.187 10.849 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.372 3.267 8.860 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.739 4.980 9.089 1.00 1.00 H new ATOM 300 N LYS A 20 109.280 5.454 12.548 1.00 1.00 N ATOM 301 CA LYS A 20 110.657 4.969 12.536 1.00 1.00 C ATOM 302 C LYS A 20 110.953 4.289 13.865 1.00 1.00 C ATOM 303 O LYS A 20 111.750 3.354 13.942 1.00 1.00 O ATOM 304 CB LYS A 20 111.657 6.107 12.308 1.00 1.00 C ATOM 305 CG LYS A 20 111.600 7.083 13.479 1.00 1.00 C ATOM 306 CD LYS A 20 112.435 8.341 13.180 1.00 1.00 C ATOM 307 CE LYS A 20 113.921 8.090 13.479 1.00 1.00 C ATOM 308 NZ LYS A 20 114.162 8.292 14.935 1.00 1.00 N ATOM 0 H LYS A 20 109.168 6.458 12.408 1.00 1.00 H new ATOM 0 HA LYS A 20 110.765 4.263 11.713 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.665 5.704 12.207 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.426 6.626 11.378 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.565 7.365 13.674 1.00 1.00 H new ATOM 0 HG3 LYS A 20 111.973 6.599 14.381 1.00 1.00 H new ATOM 0 HD2 LYS A 20 112.312 8.625 12.135 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.074 9.175 13.782 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.198 7.077 13.188 1.00 1.00 H new ATOM 0 HE3 LYS A 20 114.543 8.770 12.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.159 8.091 15.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 113.943 9.276 15.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 113.552 7.650 15.480 1.00 1.00 H new ATOM 322 N ASN A 21 110.291 4.779 14.908 1.00 1.00 N ATOM 323 CA ASN A 21 110.459 4.240 16.251 1.00 1.00 C ATOM 324 C ASN A 21 109.665 2.954 16.433 1.00 1.00 C ATOM 325 O ASN A 21 110.058 2.080 17.207 1.00 1.00 O ATOM 326 CB ASN A 21 110.015 5.281 17.286 1.00 1.00 C ATOM 327 CG ASN A 21 111.085 6.360 17.452 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.178 6.303 16.743 1.00 1.00 O flip ATOM 329 ND2 ASN A 21 110.912 7.288 18.241 1.00 1.00 N flip ATOM 0 H ASN A 21 109.630 5.553 14.847 1.00 1.00 H new ATOM 0 HA ASN A 21 111.514 4.008 16.396 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.076 5.737 16.972 1.00 1.00 H new ATOM 0 HB3 ASN A 21 109.829 4.794 18.243 1.00 1.00 H new ATOM 0 HD21 ASN A 21 110.057 7.333 18.796 1.00 1.00 H new ATOM 0 HD22 ASN A 21 111.623 8.012 18.340 1.00 1.00 H new ATOM 336 N LYS A 22 108.537 2.851 15.748 1.00 1.00 N ATOM 337 CA LYS A 22 107.699 1.676 15.882 1.00 1.00 C ATOM 338 C LYS A 22 108.474 0.391 15.504 1.00 1.00 C ATOM 339 O LYS A 22 109.285 0.418 14.577 1.00 1.00 O ATOM 340 CB LYS A 22 106.457 1.839 14.996 1.00 1.00 C ATOM 341 CG LYS A 22 105.402 2.752 15.675 1.00 1.00 C ATOM 342 CD LYS A 22 103.986 2.311 15.283 1.00 1.00 C ATOM 343 CE LYS A 22 103.778 2.523 13.785 1.00 1.00 C ATOM 344 NZ LYS A 22 102.475 1.923 13.380 1.00 1.00 N ATOM 0 H LYS A 22 108.186 3.558 15.102 1.00 1.00 H new ATOM 0 HA LYS A 22 107.392 1.577 16.923 1.00 1.00 H new ATOM 0 HB2 LYS A 22 106.746 2.264 14.035 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.020 0.861 14.794 1.00 1.00 H new ATOM 0 HG2 LYS A 22 105.517 2.709 16.758 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.563 3.788 15.378 1.00 1.00 H new ATOM 0 HD2 LYS A 22 103.839 1.261 15.536 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.248 2.881 15.847 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.790 3.588 13.551 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.593 2.065 13.224 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.329 2.065 12.360 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 102.482 0.904 13.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 101.704 2.380 13.907 1.00 1.00 H new ATOM 358 N PRO A 23 108.257 -0.729 16.191 1.00 1.00 N ATOM 359 CA PRO A 23 108.973 -2.014 15.884 1.00 1.00 C ATOM 360 C PRO A 23 108.806 -2.500 14.438 1.00 1.00 C ATOM 361 O PRO A 23 107.773 -2.283 13.805 1.00 1.00 O ATOM 362 CB PRO A 23 108.367 -3.041 16.855 1.00 1.00 C ATOM 363 CG PRO A 23 107.757 -2.238 17.952 1.00 1.00 C ATOM 364 CD PRO A 23 107.326 -0.906 17.334 1.00 1.00 C ATOM 0 HA PRO A 23 110.047 -1.872 16.001 1.00 1.00 H new ATOM 0 HB2 PRO A 23 107.619 -3.658 16.357 1.00 1.00 H new ATOM 0 HB3 PRO A 23 109.131 -3.716 17.240 1.00 1.00 H new ATOM 0 HG2 PRO A 23 106.902 -2.759 18.384 1.00 1.00 H new ATOM 0 HG3 PRO A 23 108.473 -2.077 18.758 1.00 1.00 H new ATOM 0 HD2 PRO A 23 106.288 -0.936 17.004 1.00 1.00 H new ATOM 0 HD3 PRO A 23 107.410 -0.087 18.049 1.00 1.00 H new ATOM 372 N GLY A 24 109.840 -3.180 13.950 1.00 1.00 N ATOM 373 CA GLY A 24 109.844 -3.743 12.604 1.00 1.00 C ATOM 374 C GLY A 24 110.132 -2.696 11.545 1.00 1.00 C ATOM 375 O GLY A 24 110.518 -3.030 10.428 1.00 1.00 O ATOM 0 H GLY A 24 110.696 -3.356 14.475 1.00 1.00 H new ATOM 0 HA2 GLY A 24 110.593 -4.533 12.545 1.00 1.00 H new ATOM 0 HA3 GLY A 24 108.877 -4.205 12.402 1.00 1.00 H new ATOM 379 N VAL A 25 109.945 -1.434 11.893 1.00 1.00 N ATOM 380 CA VAL A 25 110.179 -0.355 10.942 1.00 1.00 C ATOM 381 C VAL A 25 111.664 -0.013 10.867 1.00 1.00 C ATOM 382 O VAL A 25 112.339 0.113 11.890 1.00 1.00 O ATOM 383 CB VAL A 25 109.403 0.903 11.363 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.549 2.000 10.305 1.00 1.00 C ATOM 385 CG2 VAL A 25 107.924 0.579 11.554 1.00 1.00 C ATOM 0 H VAL A 25 109.635 -1.131 12.816 1.00 1.00 H new ATOM 0 HA VAL A 25 109.836 -0.692 9.964 1.00 1.00 H new ATOM 0 HB VAL A 25 109.818 1.256 12.307 1.00 1.00 H new ATOM 0 HG11 VAL A 25 108.994 2.884 10.618 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.602 2.256 10.189 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.155 1.643 9.354 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.389 1.481 11.852 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.510 0.204 10.618 1.00 1.00 H new ATOM 0 HG23 VAL A 25 107.815 -0.180 12.329 1.00 1.00 H new ATOM 389 N VAL A 26 112.146 0.177 9.642 1.00 1.00 N ATOM 390 CA VAL A 26 113.539 0.556 9.391 1.00 1.00 C ATOM 391 C VAL A 26 113.537 1.872 8.631 1.00 1.00 C ATOM 392 O VAL A 26 112.917 1.974 7.578 1.00 1.00 O ATOM 393 CB VAL A 26 114.225 -0.536 8.564 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.666 -0.159 8.258 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.194 -1.840 9.342 1.00 1.00 C ATOM 0 H VAL A 26 111.586 0.074 8.796 1.00 1.00 H new ATOM 0 HA VAL A 26 114.083 0.670 10.329 1.00 1.00 H new ATOM 0 HB VAL A 26 113.693 -0.649 7.620 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.132 -0.950 7.670 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.686 0.773 7.693 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.214 -0.030 9.191 1.00 1.00 H new ATOM 0 HG21 VAL A 26 114.681 -2.623 8.760 1.00 1.00 H new ATOM 0 HG22 VAL A 26 114.720 -1.712 10.288 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.160 -2.123 9.537 1.00 1.00 H new ATOM 399 N VAL A 27 114.202 2.891 9.180 1.00 1.00 N ATOM 400 CA VAL A 27 114.226 4.215 8.547 1.00 1.00 C ATOM 401 C VAL A 27 115.468 4.420 7.721 1.00 1.00 C ATOM 402 O VAL A 27 116.546 3.916 8.036 1.00 1.00 O ATOM 403 CB VAL A 27 114.079 5.326 9.602 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.179 5.198 10.617 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.131 6.725 8.975 1.00 1.00 C ATOM 0 H VAL A 27 114.727 2.828 10.053 1.00 1.00 H new ATOM 0 HA VAL A 27 113.374 4.268 7.869 1.00 1.00 H new ATOM 0 HB VAL A 27 113.104 5.207 10.075 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.077 5.984 11.365 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.115 4.224 11.102 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.145 5.293 10.121 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.023 7.478 9.756 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.087 6.861 8.469 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.320 6.831 8.254 1.00 1.00 H new ATOM 409 N LEU A 28 115.286 5.165 6.630 1.00 1.00 N ATOM 410 CA LEU A 28 116.378 5.451 5.704 1.00 1.00 C ATOM 411 C LEU A 28 116.710 6.942 5.691 1.00 1.00 C ATOM 412 O LEU A 28 115.935 7.754 6.197 1.00 1.00 O ATOM 413 CB LEU A 28 115.969 5.025 4.292 1.00 1.00 C ATOM 414 CG LEU A 28 115.635 3.537 4.238 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.075 3.232 2.849 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.903 2.711 4.474 1.00 1.00 C ATOM 0 H LEU A 28 114.392 5.580 6.368 1.00 1.00 H new ATOM 0 HA LEU A 28 117.258 4.897 6.031 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.105 5.606 3.970 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.778 5.244 3.595 1.00 1.00 H new ATOM 0 HG LEU A 28 114.906 3.284 5.008 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.827 2.173 2.781 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.177 3.827 2.680 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.821 3.479 2.094 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.658 1.650 4.434 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.637 2.943 3.703 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.317 2.952 5.453 1.00 1.00 H new ATOM 428 N PRO A 29 117.837 7.328 5.121 1.00 1.00 N ATOM 429 CA PRO A 29 118.241 8.755 5.051 1.00 1.00 C ATOM 430 C PRO A 29 117.242 9.593 4.258 1.00 1.00 C ATOM 431 O PRO A 29 117.056 10.779 4.537 1.00 1.00 O ATOM 432 CB PRO A 29 119.617 8.730 4.364 1.00 1.00 C ATOM 433 CG PRO A 29 120.103 7.340 4.556 1.00 1.00 C ATOM 434 CD PRO A 29 118.860 6.482 4.486 1.00 1.00 C ATOM 0 HA PRO A 29 118.276 9.215 6.039 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.537 8.980 3.306 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.298 9.454 4.812 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.820 7.061 3.783 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.608 7.227 5.515 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.598 6.235 3.457 1.00 1.00 H new ATOM 0 HD3 PRO A 29 118.990 5.539 5.017 1.00 1.00 H new ATOM 442 N SER A 30 116.608 8.971 3.264 1.00 1.00 N ATOM 443 CA SER A 30 115.641 9.677 2.442 1.00 1.00 C ATOM 444 C SER A 30 114.395 9.981 3.257 1.00 1.00 C ATOM 445 O SER A 30 113.521 10.735 2.830 1.00 1.00 O ATOM 446 CB SER A 30 115.267 8.830 1.225 1.00 1.00 C ATOM 447 OG SER A 30 116.452 8.308 0.637 1.00 1.00 O ATOM 0 H SER A 30 116.748 7.992 3.015 1.00 1.00 H new ATOM 0 HA SER A 30 116.085 10.612 2.101 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.605 8.016 1.523 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.723 9.434 0.500 1.00 1.00 H new ATOM 0 HG SER A 30 116.217 7.763 -0.143 1.00 1.00 H new ATOM 453 N GLY A 31 114.326 9.375 4.438 1.00 1.00 N ATOM 454 CA GLY A 31 113.191 9.561 5.328 1.00 1.00 C ATOM 455 C GLY A 31 112.142 8.499 5.058 1.00 1.00 C ATOM 456 O GLY A 31 111.094 8.470 5.701 1.00 1.00 O ATOM 0 H GLY A 31 115.046 8.750 4.799 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.519 9.505 6.366 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.763 10.553 5.182 1.00 1.00 H new ATOM 460 N LEU A 32 112.439 7.611 4.111 1.00 1.00 N ATOM 461 CA LEU A 32 111.512 6.540 3.775 1.00 1.00 C ATOM 462 C LEU A 32 111.700 5.410 4.768 1.00 1.00 C ATOM 463 O LEU A 32 112.829 5.017 5.067 1.00 1.00 O ATOM 464 CB LEU A 32 111.778 6.039 2.334 1.00 1.00 C ATOM 465 CG LEU A 32 110.761 4.966 1.831 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.167 3.560 2.257 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.343 5.259 2.308 1.00 1.00 C ATOM 0 H LEU A 32 113.304 7.613 3.570 1.00 1.00 H new ATOM 0 HA LEU A 32 110.487 6.906 3.824 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.755 6.891 1.655 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.783 5.621 2.287 1.00 1.00 H new ATOM 0 HG LEU A 32 110.776 5.017 0.742 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.434 2.842 1.888 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.147 3.323 1.843 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.210 3.508 3.345 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.668 4.489 1.936 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.320 5.266 3.398 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.026 6.232 1.932 1.00 1.00 H new ATOM 479 N GLN A 33 110.597 4.893 5.288 1.00 1.00 N ATOM 480 CA GLN A 33 110.645 3.813 6.260 1.00 1.00 C ATOM 481 C GLN A 33 109.876 2.604 5.772 1.00 1.00 C ATOM 482 O GLN A 33 108.826 2.742 5.148 1.00 1.00 O ATOM 483 CB GLN A 33 110.028 4.306 7.567 1.00 1.00 C ATOM 484 CG GLN A 33 110.869 5.451 8.147 1.00 1.00 C ATOM 485 CD GLN A 33 110.213 6.806 7.970 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.252 6.959 7.216 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.695 7.810 8.633 1.00 1.00 N ATOM 0 H GLN A 33 109.655 5.206 5.052 1.00 1.00 H new ATOM 0 HA GLN A 33 111.684 3.519 6.409 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.008 4.647 7.391 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.971 3.487 8.284 1.00 1.00 H new ATOM 0 HG2 GLN A 33 111.039 5.270 9.208 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.846 5.459 7.664 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.491 7.675 9.256 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.278 8.735 8.532 1.00 1.00 H new ATOM 496 N TYR A 34 110.391 1.411 6.083 1.00 1.00 N ATOM 497 CA TYR A 34 109.715 0.177 5.695 1.00 1.00 C ATOM 498 C TYR A 34 109.735 -0.828 6.818 1.00 1.00 C ATOM 499 O TYR A 34 110.696 -0.928 7.580 1.00 1.00 O ATOM 500 CB TYR A 34 110.328 -0.444 4.440 1.00 1.00 C ATOM 501 CG TYR A 34 111.770 -0.818 4.684 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.073 -1.976 5.399 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.801 -0.018 4.185 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.406 -2.342 5.618 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.135 -0.381 4.402 1.00 1.00 C ATOM 506 CZ TYR A 34 114.439 -1.542 5.119 1.00 1.00 C ATOM 507 OH TYR A 34 115.755 -1.897 5.332 1.00 1.00 O ATOM 0 H TYR A 34 111.263 1.277 6.596 1.00 1.00 H new ATOM 0 HA TYR A 34 108.682 0.445 5.472 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.761 -1.329 4.151 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.264 0.260 3.611 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.276 -2.593 5.786 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.569 0.880 3.632 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.636 -3.240 6.171 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.931 0.237 4.015 1.00 1.00 H new ATOM 0 HH TYR A 34 116.344 -1.233 4.918 1.00 1.00 H new ATOM 517 N LYS A 35 108.650 -1.585 6.894 1.00 1.00 N ATOM 518 CA LYS A 35 108.495 -2.611 7.900 1.00 1.00 C ATOM 519 C LYS A 35 108.111 -3.903 7.230 1.00 1.00 C ATOM 520 O LYS A 35 107.240 -3.932 6.363 1.00 1.00 O ATOM 521 CB LYS A 35 107.422 -2.192 8.893 1.00 1.00 C ATOM 522 CG LYS A 35 107.318 -3.190 10.051 1.00 1.00 C ATOM 523 CD LYS A 35 106.103 -4.096 9.878 1.00 1.00 C ATOM 524 CE LYS A 35 105.989 -5.020 11.085 1.00 1.00 C ATOM 525 NZ LYS A 35 105.742 -4.215 12.316 1.00 1.00 N ATOM 0 H LYS A 35 107.857 -1.501 6.258 1.00 1.00 H new ATOM 0 HA LYS A 35 109.433 -2.751 8.437 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.652 -1.201 9.284 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.461 -2.120 8.384 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.224 -3.794 10.099 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.244 -2.651 10.996 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.199 -3.496 9.778 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.199 -4.682 8.964 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.176 -5.731 10.935 1.00 1.00 H new ATOM 0 HE3 LYS A 35 106.904 -5.601 11.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 105.304 -4.817 13.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 106.644 -3.842 12.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.105 -3.424 12.092 1.00 1.00 H new ATOM 539 N VAL A 36 108.790 -4.967 7.610 1.00 1.00 N ATOM 540 CA VAL A 36 108.534 -6.271 7.001 1.00 1.00 C ATOM 541 C VAL A 36 107.474 -7.059 7.762 1.00 1.00 C ATOM 542 O VAL A 36 107.713 -7.622 8.827 1.00 1.00 O ATOM 543 CB VAL A 36 109.854 -7.049 6.891 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.574 -7.065 8.235 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.589 -8.488 6.424 1.00 1.00 C ATOM 0 H VAL A 36 109.515 -4.963 8.327 1.00 1.00 H new ATOM 0 HA VAL A 36 108.132 -6.115 6.000 1.00 1.00 H new ATOM 0 HB VAL A 36 110.487 -6.550 6.157 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.507 -7.620 8.141 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.789 -6.042 8.545 1.00 1.00 H new ATOM 0 HG13 VAL A 36 109.941 -7.544 8.981 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.534 -9.027 6.351 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.940 -8.990 7.142 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.105 -8.470 5.448 1.00 1.00 H new ATOM 549 N ILE A 37 106.289 -7.104 7.182 1.00 1.00 N ATOM 550 CA ILE A 37 105.189 -7.834 7.778 1.00 1.00 C ATOM 551 C ILE A 37 105.487 -9.318 7.683 1.00 1.00 C ATOM 552 O ILE A 37 105.247 -10.083 8.618 1.00 1.00 O ATOM 553 CB ILE A 37 103.887 -7.530 7.035 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.749 -6.021 6.768 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.725 -8.017 7.875 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.623 -5.202 8.049 1.00 1.00 C ATOM 0 H ILE A 37 106.065 -6.644 6.300 1.00 1.00 H new ATOM 0 HA ILE A 37 105.075 -7.535 8.820 1.00 1.00 H new ATOM 0 HB ILE A 37 103.893 -8.041 6.072 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.616 -5.676 6.205 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.873 -5.846 6.143 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.789 -7.807 7.358 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.817 -9.091 8.036 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.731 -7.504 8.837 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.529 -4.146 7.798 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.740 -5.524 8.601 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.510 -5.351 8.665 1.00 1.00 H new ATOM 563 N ASN A 38 106.016 -9.704 6.528 1.00 1.00 N ATOM 564 CA ASN A 38 106.365 -11.087 6.252 1.00 1.00 C ATOM 565 C ASN A 38 107.631 -11.139 5.410 1.00 1.00 C ATOM 566 O ASN A 38 107.726 -10.470 4.384 1.00 1.00 O ATOM 567 CB ASN A 38 105.231 -11.756 5.484 1.00 1.00 C ATOM 568 CG ASN A 38 103.976 -11.825 6.349 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.173 -10.796 6.408 1.00 1.00 O flip ATOM 570 ND2 ASN A 38 103.726 -12.842 6.999 1.00 1.00 N flip ATOM 0 H ASN A 38 106.214 -9.065 5.758 1.00 1.00 H new ATOM 0 HA ASN A 38 106.530 -11.608 7.195 1.00 1.00 H new ATOM 0 HB2 ASN A 38 105.022 -11.198 4.571 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.529 -12.760 5.183 1.00 1.00 H new ATOM 0 HD21 ASN A 38 104.354 -13.645 6.952 1.00 1.00 H new ATOM 0 HD22 ASN A 38 102.891 -12.881 7.584 1.00 1.00 H new ATOM 577 N SER A 39 108.598 -11.934 5.841 1.00 1.00 N ATOM 578 CA SER A 39 109.847 -12.069 5.100 1.00 1.00 C ATOM 579 C SER A 39 109.722 -13.192 4.084 1.00 1.00 C ATOM 580 O SER A 39 109.321 -14.306 4.422 1.00 1.00 O ATOM 581 CB SER A 39 111.003 -12.359 6.051 1.00 1.00 C ATOM 582 OG SER A 39 111.129 -13.762 6.233 1.00 1.00 O ATOM 0 H SER A 39 108.545 -12.492 6.693 1.00 1.00 H new ATOM 0 HA SER A 39 110.049 -11.132 4.581 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.930 -11.950 5.649 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.829 -11.872 7.010 1.00 1.00 H new ATOM 0 HG SER A 39 110.321 -14.208 5.905 1.00 1.00 H new ATOM 588 N GLY A 40 110.067 -12.891 2.836 1.00 1.00 N ATOM 589 CA GLY A 40 109.993 -13.867 1.759 1.00 1.00 C ATOM 590 C GLY A 40 111.381 -14.145 1.204 1.00 1.00 C ATOM 591 O GLY A 40 111.691 -15.271 0.816 1.00 1.00 O ATOM 0 H GLY A 40 110.402 -11.972 2.546 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.549 -14.792 2.127 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.344 -13.495 0.966 1.00 1.00 H new ATOM 595 N ASN A 41 112.207 -13.104 1.179 1.00 1.00 N ATOM 596 CA ASN A 41 113.570 -13.218 0.680 1.00 1.00 C ATOM 597 C ASN A 41 113.588 -13.713 -0.761 1.00 1.00 C ATOM 598 O ASN A 41 114.537 -14.368 -1.191 1.00 1.00 O ATOM 599 CB ASN A 41 114.342 -14.182 1.570 1.00 1.00 C ATOM 600 CG ASN A 41 114.211 -13.756 3.028 1.00 1.00 C ATOM 601 OD1 ASN A 41 113.495 -12.703 3.339 1.00 1.00 O flip ATOM 602 ND2 ASN A 41 114.771 -14.405 3.911 1.00 1.00 N flip ATOM 0 H ASN A 41 111.954 -12.170 1.500 1.00 1.00 H new ATOM 0 HA ASN A 41 114.037 -12.233 0.700 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.960 -15.195 1.442 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.392 -14.198 1.279 1.00 1.00 H new ATOM 0 HD21 ASN A 41 115.328 -15.224 3.667 1.00 1.00 H new ATOM 0 HD22 ASN A 41 114.678 -14.124 4.887 1.00 1.00 H new ATOM 609 N GLY A 42 112.539 -13.387 -1.512 1.00 1.00 N ATOM 610 CA GLY A 42 112.450 -13.795 -2.906 1.00 1.00 C ATOM 611 C GLY A 42 113.042 -12.756 -3.832 1.00 1.00 C ATOM 612 O GLY A 42 113.785 -11.866 -3.420 1.00 1.00 O ATOM 0 H GLY A 42 111.743 -12.844 -1.178 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.971 -14.743 -3.042 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.406 -13.965 -3.170 1.00 1.00 H new ATOM 616 N VAL A 43 112.667 -12.880 -5.087 1.00 1.00 N ATOM 617 CA VAL A 43 113.100 -11.963 -6.115 1.00 1.00 C ATOM 618 C VAL A 43 112.459 -10.611 -5.867 1.00 1.00 C ATOM 619 O VAL A 43 111.729 -10.443 -4.901 1.00 1.00 O ATOM 620 CB VAL A 43 112.738 -12.487 -7.512 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.360 -13.865 -7.704 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.224 -12.584 -7.700 1.00 1.00 C ATOM 0 H VAL A 43 112.052 -13.622 -5.422 1.00 1.00 H new ATOM 0 HA VAL A 43 114.185 -11.867 -6.076 1.00 1.00 H new ATOM 0 HB VAL A 43 113.126 -11.786 -8.251 1.00 1.00 H new ATOM 0 HG11 VAL A 43 113.107 -14.244 -8.694 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.443 -13.792 -7.609 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.975 -14.547 -6.946 1.00 1.00 H new ATOM 0 HG21 VAL A 43 111.005 -12.958 -8.700 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.808 -13.266 -6.958 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.778 -11.597 -7.576 1.00 1.00 H new ATOM 626 N LYS A 44 112.722 -9.674 -6.754 1.00 1.00 N ATOM 627 CA LYS A 44 112.173 -8.320 -6.653 1.00 1.00 C ATOM 628 C LYS A 44 112.713 -7.462 -7.801 1.00 1.00 C ATOM 629 O LYS A 44 113.725 -7.799 -8.417 1.00 1.00 O ATOM 630 CB LYS A 44 112.475 -7.665 -5.271 1.00 1.00 C ATOM 631 CG LYS A 44 113.960 -7.245 -5.096 1.00 1.00 C ATOM 632 CD LYS A 44 114.776 -8.377 -4.417 1.00 1.00 C ATOM 633 CE LYS A 44 114.800 -8.201 -2.887 1.00 1.00 C ATOM 634 NZ LYS A 44 115.302 -9.456 -2.263 1.00 1.00 N ATOM 0 H LYS A 44 113.320 -9.820 -7.567 1.00 1.00 H new ATOM 0 HA LYS A 44 111.088 -8.386 -6.733 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.840 -6.787 -5.147 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.208 -8.365 -4.480 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.393 -7.011 -6.068 1.00 1.00 H new ATOM 0 HG3 LYS A 44 114.018 -6.338 -4.495 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.341 -9.344 -4.668 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.796 -8.376 -4.802 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.441 -7.362 -2.614 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.800 -7.971 -2.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 115.530 -9.280 -1.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.570 -10.192 -2.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 116.157 -9.774 -2.763 1.00 1.00 H new ATOM 648 N PRO A 45 111.987 -6.426 -8.165 1.00 1.00 N ATOM 649 CA PRO A 45 112.315 -5.569 -9.348 1.00 1.00 C ATOM 650 C PRO A 45 113.334 -4.459 -9.116 1.00 1.00 C ATOM 651 O PRO A 45 113.617 -4.079 -7.989 1.00 1.00 O ATOM 652 CB PRO A 45 110.946 -4.977 -9.734 1.00 1.00 C ATOM 653 CG PRO A 45 110.058 -5.081 -8.531 1.00 1.00 C ATOM 654 CD PRO A 45 110.771 -5.927 -7.481 1.00 1.00 C ATOM 0 HA PRO A 45 112.803 -6.169 -10.116 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.051 -3.938 -10.045 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.517 -5.520 -10.576 1.00 1.00 H new ATOM 0 HG2 PRO A 45 109.838 -4.090 -8.135 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.105 -5.535 -8.801 1.00 1.00 H new ATOM 0 HD2 PRO A 45 111.026 -5.335 -6.602 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.142 -6.750 -7.141 1.00 1.00 H new ATOM 662 N GLY A 46 113.837 -3.917 -10.237 1.00 1.00 N ATOM 663 CA GLY A 46 114.772 -2.801 -10.206 1.00 1.00 C ATOM 664 C GLY A 46 114.006 -1.524 -10.443 1.00 1.00 C ATOM 665 O GLY A 46 112.809 -1.551 -10.702 1.00 1.00 O ATOM 0 H GLY A 46 113.605 -4.242 -11.176 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.283 -2.762 -9.244 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.539 -2.929 -10.970 1.00 1.00 H new ATOM 669 N LYS A 47 114.696 -0.414 -10.344 1.00 1.00 N ATOM 670 CA LYS A 47 114.055 0.874 -10.533 1.00 1.00 C ATOM 671 C LYS A 47 113.340 0.947 -11.863 1.00 1.00 C ATOM 672 O LYS A 47 112.439 1.761 -12.040 1.00 1.00 O ATOM 673 CB LYS A 47 115.077 2.015 -10.446 1.00 1.00 C ATOM 674 CG LYS A 47 116.080 1.967 -11.621 1.00 1.00 C ATOM 675 CD LYS A 47 117.208 0.927 -11.361 1.00 1.00 C ATOM 676 CE LYS A 47 117.250 -0.134 -12.462 1.00 1.00 C ATOM 677 NZ LYS A 47 117.488 0.519 -13.780 1.00 1.00 N ATOM 0 H LYS A 47 115.694 -0.371 -10.136 1.00 1.00 H new ATOM 0 HA LYS A 47 113.322 0.984 -9.734 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.556 2.973 -10.450 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.618 1.950 -9.502 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.553 1.713 -12.541 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.519 2.954 -11.767 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.170 1.437 -11.307 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.047 0.447 -10.396 1.00 1.00 H new ATOM 0 HE2 LYS A 47 118.040 -0.856 -12.255 1.00 1.00 H new ATOM 0 HE3 LYS A 47 116.311 -0.687 -12.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 117.848 -0.184 -14.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 116.596 0.916 -14.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 118.186 1.282 -13.669 1.00 1.00 H new ATOM 691 N SER A 48 113.774 0.121 -12.808 1.00 1.00 N ATOM 692 CA SER A 48 113.193 0.142 -14.156 1.00 1.00 C ATOM 693 C SER A 48 112.298 -1.068 -14.438 1.00 1.00 C ATOM 694 O SER A 48 111.649 -1.133 -15.482 1.00 1.00 O ATOM 695 CB SER A 48 114.327 0.179 -15.177 1.00 1.00 C ATOM 696 OG SER A 48 114.928 1.467 -15.163 1.00 1.00 O ATOM 0 H SER A 48 114.516 -0.565 -12.674 1.00 1.00 H new ATOM 0 HA SER A 48 112.563 1.029 -14.230 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.069 -0.584 -14.942 1.00 1.00 H new ATOM 0 HB3 SER A 48 113.943 -0.045 -16.172 1.00 1.00 H new ATOM 0 HG SER A 48 115.658 1.494 -15.816 1.00 1.00 H new ATOM 702 N ASP A 49 112.266 -2.015 -13.515 1.00 1.00 N ATOM 703 CA ASP A 49 111.451 -3.214 -13.681 1.00 1.00 C ATOM 704 C ASP A 49 110.013 -2.941 -13.283 1.00 1.00 C ATOM 705 O ASP A 49 109.694 -1.896 -12.720 1.00 1.00 O ATOM 706 CB ASP A 49 112.040 -4.286 -12.794 1.00 1.00 C ATOM 707 CG ASP A 49 111.355 -5.646 -12.948 1.00 1.00 C ATOM 708 OD1 ASP A 49 110.370 -5.731 -13.651 1.00 1.00 O ATOM 709 OD2 ASP A 49 111.849 -6.596 -12.366 1.00 1.00 O ATOM 0 H ASP A 49 112.793 -1.980 -12.643 1.00 1.00 H new ATOM 0 HA ASP A 49 111.451 -3.530 -14.724 1.00 1.00 H new ATOM 0 HB2 ASP A 49 113.100 -4.394 -13.022 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.968 -3.967 -11.754 1.00 1.00 H new ATOM 714 N THR A 50 109.149 -3.901 -13.575 1.00 1.00 N ATOM 715 CA THR A 50 107.742 -3.798 -13.242 1.00 1.00 C ATOM 716 C THR A 50 107.420 -4.821 -12.181 1.00 1.00 C ATOM 717 O THR A 50 108.015 -5.898 -12.129 1.00 1.00 O ATOM 718 CB THR A 50 106.886 -3.969 -14.494 1.00 1.00 C ATOM 719 OG1 THR A 50 107.419 -3.178 -15.543 1.00 1.00 O ATOM 720 CG2 THR A 50 105.455 -3.534 -14.214 1.00 1.00 C ATOM 0 H THR A 50 109.404 -4.768 -14.047 1.00 1.00 H new ATOM 0 HA THR A 50 107.516 -2.809 -12.844 1.00 1.00 H new ATOM 0 HB THR A 50 106.890 -5.020 -14.785 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.871 -3.289 -16.348 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.854 -3.660 -15.114 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.040 -4.144 -13.412 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.445 -2.486 -13.915 1.00 1.00 H new ATOM 728 N VAL A 51 106.528 -4.437 -11.280 1.00 1.00 N ATOM 729 CA VAL A 51 106.181 -5.278 -10.140 1.00 1.00 C ATOM 730 C VAL A 51 104.690 -5.529 -10.054 1.00 1.00 C ATOM 731 O VAL A 51 103.910 -4.778 -10.611 1.00 1.00 O ATOM 732 CB VAL A 51 106.667 -4.579 -8.864 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.794 -3.373 -8.521 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.669 -5.582 -7.715 1.00 1.00 C ATOM 0 H VAL A 51 106.030 -3.548 -11.315 1.00 1.00 H new ATOM 0 HA VAL A 51 106.662 -6.249 -10.260 1.00 1.00 H new ATOM 0 HB VAL A 51 107.679 -4.209 -9.031 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.166 -2.901 -7.612 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.826 -2.656 -9.341 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.766 -3.700 -8.365 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.014 -5.092 -6.805 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.659 -5.962 -7.562 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.336 -6.410 -7.956 1.00 1.00 H new ATOM 738 N THR A 52 104.308 -6.583 -9.324 1.00 1.00 N ATOM 739 CA THR A 52 102.892 -6.915 -9.134 1.00 1.00 C ATOM 740 C THR A 52 102.610 -7.008 -7.635 1.00 1.00 C ATOM 741 O THR A 52 103.240 -7.804 -6.940 1.00 1.00 O ATOM 742 CB THR A 52 102.600 -8.253 -9.813 1.00 1.00 C ATOM 743 OG1 THR A 52 102.859 -8.141 -11.205 1.00 1.00 O ATOM 744 CG2 THR A 52 101.143 -8.641 -9.597 1.00 1.00 C ATOM 0 H THR A 52 104.956 -7.218 -8.857 1.00 1.00 H new ATOM 0 HA THR A 52 102.255 -6.148 -9.574 1.00 1.00 H new ATOM 0 HB THR A 52 103.241 -9.021 -9.380 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.239 -8.982 -11.536 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.945 -9.596 -10.084 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.945 -8.731 -8.529 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.495 -7.875 -10.023 1.00 1.00 H new ATOM 752 N VAL A 53 101.697 -6.168 -7.122 1.00 1.00 N ATOM 753 CA VAL A 53 101.422 -6.162 -5.676 1.00 1.00 C ATOM 754 C VAL A 53 99.977 -5.804 -5.309 1.00 1.00 C ATOM 755 O VAL A 53 99.251 -5.212 -6.108 1.00 1.00 O ATOM 756 CB VAL A 53 102.335 -5.106 -5.022 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.771 -5.288 -5.504 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.881 -3.662 -5.399 1.00 1.00 C ATOM 0 H VAL A 53 101.151 -5.502 -7.668 1.00 1.00 H new ATOM 0 HA VAL A 53 101.603 -7.177 -5.322 1.00 1.00 H new ATOM 0 HB VAL A 53 102.271 -5.239 -3.942 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.409 -4.538 -5.037 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.123 -6.283 -5.233 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.809 -5.173 -6.587 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.542 -2.937 -4.924 1.00 1.00 H new ATOM 0 HG22 VAL A 53 101.924 -3.538 -6.481 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.859 -3.500 -5.055 1.00 1.00 H new ATOM 762 N GLU A 54 99.626 -6.055 -4.034 1.00 1.00 N ATOM 763 CA GLU A 54 98.309 -5.640 -3.486 1.00 1.00 C ATOM 764 C GLU A 54 98.609 -4.678 -2.325 1.00 1.00 C ATOM 765 O GLU A 54 99.656 -4.813 -1.695 1.00 1.00 O ATOM 766 CB GLU A 54 97.443 -6.811 -2.954 1.00 1.00 C ATOM 767 CG GLU A 54 97.520 -8.069 -3.848 1.00 1.00 C ATOM 768 CD GLU A 54 97.376 -9.349 -3.017 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.025 -9.251 -1.852 1.00 1.00 O ATOM 770 OE2 GLU A 54 97.627 -10.411 -3.563 1.00 1.00 O ATOM 0 H GLU A 54 100.225 -6.538 -3.365 1.00 1.00 H new ATOM 0 HA GLU A 54 97.731 -5.188 -4.292 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.767 -7.067 -1.946 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.405 -6.485 -2.882 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.734 -8.031 -4.602 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.471 -8.083 -4.380 1.00 1.00 H new ATOM 777 N TYR A 55 97.758 -3.671 -2.056 1.00 1.00 N ATOM 778 CA TYR A 55 98.103 -2.727 -0.989 1.00 1.00 C ATOM 779 C TYR A 55 96.930 -1.889 -0.456 1.00 1.00 C ATOM 780 O TYR A 55 95.906 -1.727 -1.120 1.00 1.00 O ATOM 781 CB TYR A 55 99.113 -1.756 -1.589 1.00 1.00 C ATOM 782 CG TYR A 55 98.466 -1.172 -2.826 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.577 -0.096 -2.708 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.708 -1.730 -4.085 1.00 1.00 C ATOM 785 CE1 TYR A 55 96.934 0.416 -3.837 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.067 -1.209 -5.217 1.00 1.00 C ATOM 787 CZ TYR A 55 97.178 -0.140 -5.090 1.00 1.00 C ATOM 788 OH TYR A 55 96.535 0.365 -6.201 1.00 1.00 O ATOM 0 H TYR A 55 96.874 -3.498 -2.535 1.00 1.00 H new ATOM 0 HA TYR A 55 98.469 -3.313 -0.146 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.367 -0.971 -0.877 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.041 -2.269 -1.842 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.388 0.340 -1.738 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.389 -2.562 -4.185 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.247 1.244 -3.738 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.261 -1.635 -6.190 1.00 1.00 H new ATOM 0 HH TYR A 55 96.816 -0.133 -6.997 1.00 1.00 H new ATOM 798 N THR A 56 97.146 -1.286 0.735 1.00 1.00 N ATOM 799 CA THR A 56 96.160 -0.371 1.349 1.00 1.00 C ATOM 800 C THR A 56 96.845 0.944 1.705 1.00 1.00 C ATOM 801 O THR A 56 97.870 0.954 2.365 1.00 1.00 O ATOM 802 CB THR A 56 95.443 -0.994 2.566 1.00 1.00 C ATOM 803 OG1 THR A 56 94.379 -1.804 2.101 1.00 1.00 O ATOM 804 CG2 THR A 56 94.843 0.087 3.482 1.00 1.00 C ATOM 0 H THR A 56 97.993 -1.417 1.288 1.00 1.00 H new ATOM 0 HA THR A 56 95.375 -0.178 0.618 1.00 1.00 H new ATOM 0 HB THR A 56 96.175 -1.572 3.130 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.107 -2.424 2.809 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.346 -0.388 4.328 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.638 0.737 3.846 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.119 0.678 2.921 1.00 1.00 H new ATOM 812 N GLY A 57 96.273 2.059 1.250 1.00 1.00 N ATOM 813 CA GLY A 57 96.867 3.379 1.512 1.00 1.00 C ATOM 814 C GLY A 57 96.005 4.229 2.436 1.00 1.00 C ATOM 815 O GLY A 57 94.787 4.303 2.271 1.00 1.00 O ATOM 0 H GLY A 57 95.411 2.081 0.705 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.853 3.249 1.957 1.00 1.00 H new ATOM 0 HA3 GLY A 57 97.010 3.904 0.568 1.00 1.00 H new ATOM 819 N ARG A 58 96.647 4.891 3.409 1.00 1.00 N ATOM 820 CA ARG A 58 95.915 5.745 4.335 1.00 1.00 C ATOM 821 C ARG A 58 96.740 6.945 4.790 1.00 1.00 C ATOM 822 O ARG A 58 97.953 7.006 4.587 1.00 1.00 O ATOM 823 CB ARG A 58 95.443 4.933 5.556 1.00 1.00 C ATOM 824 CG ARG A 58 96.574 4.761 6.600 1.00 1.00 C ATOM 825 CD ARG A 58 96.013 4.166 7.894 1.00 1.00 C ATOM 826 NE ARG A 58 95.915 2.705 7.771 1.00 1.00 N ATOM 827 CZ ARG A 58 94.742 2.053 7.753 1.00 1.00 C ATOM 828 NH1 ARG A 58 93.608 2.703 7.820 1.00 1.00 N ATOM 829 NH2 ARG A 58 94.731 0.753 7.650 1.00 1.00 N ATOM 0 H ARG A 58 97.654 4.849 3.568 1.00 1.00 H new ATOM 0 HA ARG A 58 95.047 6.130 3.799 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.593 5.433 6.019 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.097 3.952 5.229 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.352 4.111 6.200 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.038 5.725 6.806 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.657 4.427 8.734 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.030 4.589 8.103 1.00 1.00 H new ATOM 0 HE ARG A 58 96.776 2.163 7.696 1.00 1.00 H new ATOM 0 HH11 ARG A 58 93.607 3.721 7.887 1.00 1.00 H new ATOM 0 HH12 ARG A 58 92.725 2.192 7.805 1.00 1.00 H new ATOM 0 HH21 ARG A 58 95.610 0.239 7.584 1.00 1.00 H new ATOM 0 HH22 ARG A 58 93.844 0.250 7.636 1.00 1.00 H new ATOM 843 N LEU A 59 96.048 7.876 5.439 1.00 1.00 N ATOM 844 CA LEU A 59 96.666 9.082 5.983 1.00 1.00 C ATOM 845 C LEU A 59 97.250 8.813 7.374 1.00 1.00 C ATOM 846 O LEU A 59 96.911 7.831 8.034 1.00 1.00 O ATOM 847 CB LEU A 59 95.595 10.190 6.111 1.00 1.00 C ATOM 848 CG LEU A 59 95.625 11.164 4.921 1.00 1.00 C ATOM 849 CD1 LEU A 59 94.969 10.528 3.704 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.868 12.454 5.259 1.00 1.00 C ATOM 0 H LEU A 59 95.043 7.816 5.603 1.00 1.00 H new ATOM 0 HA LEU A 59 97.466 9.392 5.310 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.608 9.733 6.180 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.755 10.744 7.036 1.00 1.00 H new ATOM 0 HG LEU A 59 96.668 11.396 4.706 1.00 1.00 H new ATOM 0 HD11 LEU A 59 94.997 11.228 2.869 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.507 9.619 3.434 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.933 10.281 3.936 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.901 13.130 4.404 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.831 12.216 5.494 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.334 12.934 6.119 1.00 1.00 H new ATOM 862 N ILE A 60 98.096 9.734 7.811 1.00 1.00 N ATOM 863 CA ILE A 60 98.707 9.657 9.135 1.00 1.00 C ATOM 864 C ILE A 60 97.633 9.678 10.204 1.00 1.00 C ATOM 865 O ILE A 60 97.824 9.218 11.330 1.00 1.00 O ATOM 866 CB ILE A 60 99.653 10.851 9.371 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.908 12.198 9.606 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.595 11.012 8.185 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.149 12.654 8.368 1.00 1.00 C ATOM 0 H ILE A 60 98.378 10.549 7.266 1.00 1.00 H new ATOM 0 HA ILE A 60 99.274 8.728 9.188 1.00 1.00 H new ATOM 0 HB ILE A 60 100.206 10.622 10.282 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.212 12.087 10.437 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.628 12.965 9.893 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.260 11.858 8.360 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.187 10.105 8.064 1.00 1.00 H new ATOM 0 HG23 ILE A 60 100.014 11.189 7.280 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.645 13.597 8.577 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.848 12.792 7.543 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.410 11.900 8.096 1.00 1.00 H new ATOM 876 N ASP A 61 96.521 10.267 9.830 1.00 1.00 N ATOM 877 CA ASP A 61 95.381 10.438 10.723 1.00 1.00 C ATOM 878 C ASP A 61 94.390 9.286 10.596 1.00 1.00 C ATOM 879 O ASP A 61 93.345 9.282 11.246 1.00 1.00 O ATOM 880 CB ASP A 61 94.695 11.759 10.390 1.00 1.00 C ATOM 881 CG ASP A 61 93.742 12.159 11.514 1.00 1.00 C ATOM 882 OD1 ASP A 61 92.917 13.027 11.283 1.00 1.00 O ATOM 883 OD2 ASP A 61 93.847 11.587 12.587 1.00 1.00 O ATOM 0 H ASP A 61 96.373 10.646 8.894 1.00 1.00 H new ATOM 0 HA ASP A 61 95.739 10.446 11.753 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.443 12.538 10.244 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.145 11.665 9.454 1.00 1.00 H new ATOM 888 N GLY A 62 94.724 8.299 9.771 1.00 1.00 N ATOM 889 CA GLY A 62 93.850 7.140 9.597 1.00 1.00 C ATOM 890 C GLY A 62 92.839 7.329 8.466 1.00 1.00 C ATOM 891 O GLY A 62 92.058 6.423 8.175 1.00 1.00 O ATOM 0 H GLY A 62 95.581 8.275 9.218 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.458 6.259 9.392 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.316 6.949 10.528 1.00 1.00 H new ATOM 895 N THR A 63 92.842 8.493 7.826 1.00 1.00 N ATOM 896 CA THR A 63 91.895 8.723 6.733 1.00 1.00 C ATOM 897 C THR A 63 92.296 7.893 5.520 1.00 1.00 C ATOM 898 O THR A 63 93.252 8.226 4.821 1.00 1.00 O ATOM 899 CB THR A 63 91.853 10.201 6.344 1.00 1.00 C ATOM 900 OG1 THR A 63 91.786 11.003 7.515 1.00 1.00 O ATOM 901 CG2 THR A 63 90.627 10.463 5.470 1.00 1.00 C ATOM 0 H THR A 63 93.467 9.272 8.033 1.00 1.00 H new ATOM 0 HA THR A 63 90.904 8.425 7.075 1.00 1.00 H new ATOM 0 HB THR A 63 92.755 10.454 5.788 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.761 11.950 7.262 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.597 11.517 5.192 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.685 9.852 4.569 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.724 10.208 6.024 1.00 1.00 H new ATOM 909 N VAL A 64 91.570 6.807 5.276 1.00 1.00 N ATOM 910 CA VAL A 64 91.883 5.946 4.142 1.00 1.00 C ATOM 911 C VAL A 64 91.429 6.586 2.859 1.00 1.00 C ATOM 912 O VAL A 64 90.270 6.976 2.716 1.00 1.00 O ATOM 913 CB VAL A 64 91.247 4.566 4.318 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.574 3.655 3.128 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.791 3.936 5.585 1.00 1.00 C ATOM 0 H VAL A 64 90.774 6.506 5.838 1.00 1.00 H new ATOM 0 HA VAL A 64 92.964 5.814 4.096 1.00 1.00 H new ATOM 0 HB VAL A 64 90.165 4.684 4.378 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.110 2.680 3.278 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.190 4.102 2.211 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.654 3.534 3.048 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.345 2.951 5.722 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.874 3.836 5.506 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.546 4.567 6.439 1.00 1.00 H new ATOM 919 N PHE A 65 92.369 6.696 1.920 1.00 1.00 N ATOM 920 CA PHE A 65 92.077 7.307 0.624 1.00 1.00 C ATOM 921 C PHE A 65 92.199 6.303 -0.500 1.00 1.00 C ATOM 922 O PHE A 65 91.765 6.564 -1.622 1.00 1.00 O ATOM 923 CB PHE A 65 92.992 8.506 0.398 1.00 1.00 C ATOM 924 CG PHE A 65 94.431 8.106 0.160 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.237 7.768 1.245 1.00 1.00 C ATOM 926 CD2 PHE A 65 94.975 8.153 -1.134 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.592 7.476 1.049 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.330 7.848 -1.330 1.00 1.00 C ATOM 929 CZ PHE A 65 97.136 7.515 -0.235 1.00 1.00 C ATOM 0 H PHE A 65 93.330 6.373 2.031 1.00 1.00 H new ATOM 0 HA PHE A 65 91.044 7.654 0.630 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.632 9.077 -0.458 1.00 1.00 H new ATOM 0 HB3 PHE A 65 92.941 9.165 1.265 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.816 7.731 2.239 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.353 8.423 -1.974 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.217 7.220 1.892 1.00 1.00 H new ATOM 0 HE2 PHE A 65 96.751 7.870 -2.324 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.181 7.288 -0.385 1.00 1.00 H new ATOM 939 N ASP A 66 92.764 5.144 -0.199 1.00 1.00 N ATOM 940 CA ASP A 66 92.890 4.112 -1.220 1.00 1.00 C ATOM 941 C ASP A 66 93.155 2.744 -0.621 1.00 1.00 C ATOM 942 O ASP A 66 93.725 2.624 0.463 1.00 1.00 O ATOM 943 CB ASP A 66 94.002 4.468 -2.192 1.00 1.00 C ATOM 944 CG ASP A 66 93.873 3.617 -3.454 1.00 1.00 C ATOM 945 OD1 ASP A 66 94.892 3.161 -3.945 1.00 1.00 O ATOM 946 OD2 ASP A 66 92.756 3.426 -3.902 1.00 1.00 O ATOM 0 H ASP A 66 93.134 4.896 0.719 1.00 1.00 H new ATOM 0 HA ASP A 66 91.938 4.065 -1.749 1.00 1.00 H new ATOM 0 HB2 ASP A 66 93.950 5.526 -2.448 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.973 4.300 -1.726 1.00 1.00 H new ATOM 951 N SER A 67 92.750 1.706 -1.350 1.00 1.00 N ATOM 952 CA SER A 67 92.963 0.346 -0.890 1.00 1.00 C ATOM 953 C SER A 67 92.878 -0.665 -2.028 1.00 1.00 C ATOM 954 O SER A 67 92.249 -0.415 -3.057 1.00 1.00 O ATOM 955 CB SER A 67 91.973 0.012 0.223 1.00 1.00 C ATOM 956 OG SER A 67 90.653 0.000 -0.305 1.00 1.00 O ATOM 0 H SER A 67 92.278 1.784 -2.251 1.00 1.00 H new ATOM 0 HA SER A 67 93.976 0.280 -0.492 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.211 -0.959 0.657 1.00 1.00 H new ATOM 0 HB3 SER A 67 92.049 0.747 1.025 1.00 1.00 H new ATOM 0 HG SER A 67 90.017 -0.216 0.409 1.00 1.00 H new ATOM 962 N THR A 68 93.548 -1.805 -1.831 1.00 1.00 N ATOM 963 CA THR A 68 93.581 -2.865 -2.840 1.00 1.00 C ATOM 964 C THR A 68 93.777 -4.225 -2.185 1.00 1.00 C ATOM 965 O THR A 68 93.123 -5.198 -2.543 1.00 1.00 O ATOM 966 CB THR A 68 94.733 -2.613 -3.817 1.00 1.00 C ATOM 967 OG1 THR A 68 94.572 -1.337 -4.417 1.00 1.00 O ATOM 968 CG2 THR A 68 94.752 -3.696 -4.900 1.00 1.00 C ATOM 0 H THR A 68 94.074 -2.016 -0.983 1.00 1.00 H new ATOM 0 HA THR A 68 92.630 -2.860 -3.373 1.00 1.00 H new ATOM 0 HB THR A 68 95.677 -2.643 -3.273 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.329 -0.764 -4.175 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.575 -3.507 -5.589 1.00 1.00 H new ATOM 0 HG22 THR A 68 94.885 -4.673 -4.435 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.809 -3.680 -5.447 1.00 1.00 H new ATOM 976 N GLU A 69 94.686 -4.284 -1.221 1.00 1.00 N ATOM 977 CA GLU A 69 94.963 -5.530 -0.524 1.00 1.00 C ATOM 978 C GLU A 69 93.707 -6.053 0.144 1.00 1.00 C ATOM 979 O GLU A 69 93.561 -7.258 0.352 1.00 1.00 O ATOM 980 CB GLU A 69 96.093 -5.360 0.469 1.00 1.00 C ATOM 981 CG GLU A 69 95.779 -4.263 1.459 1.00 1.00 C ATOM 982 CD GLU A 69 94.769 -4.744 2.496 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.647 -5.946 2.665 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.136 -3.903 3.110 1.00 1.00 O ATOM 0 H GLU A 69 95.241 -3.488 -0.906 1.00 1.00 H new ATOM 0 HA GLU A 69 95.286 -6.270 -1.256 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.261 -6.297 1.000 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.016 -5.124 -0.061 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.694 -3.943 1.957 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.382 -3.395 0.933 1.00 1.00 H new ATOM 991 N LYS A 70 92.792 -5.146 0.462 1.00 1.00 N ATOM 992 CA LYS A 70 91.544 -5.545 1.083 1.00 1.00 C ATOM 993 C LYS A 70 90.897 -6.588 0.189 1.00 1.00 C ATOM 994 O LYS A 70 90.406 -7.618 0.650 1.00 1.00 O ATOM 995 CB LYS A 70 90.621 -4.339 1.215 1.00 1.00 C ATOM 996 CG LYS A 70 91.292 -3.262 2.072 1.00 1.00 C ATOM 997 CD LYS A 70 91.304 -3.622 3.574 1.00 1.00 C ATOM 998 CE LYS A 70 89.891 -3.938 4.089 1.00 1.00 C ATOM 999 NZ LYS A 70 89.612 -5.390 3.902 1.00 1.00 N ATOM 0 H LYS A 70 92.891 -4.144 0.301 1.00 1.00 H new ATOM 0 HA LYS A 70 91.727 -5.951 2.078 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.388 -3.938 0.228 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.676 -4.641 1.668 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.316 -3.115 1.729 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.771 -2.315 1.933 1.00 1.00 H new ATOM 0 HD2 LYS A 70 91.953 -4.482 3.738 1.00 1.00 H new ATOM 0 HD3 LYS A 70 91.723 -2.793 4.144 1.00 1.00 H new ATOM 0 HE2 LYS A 70 89.808 -3.673 5.143 1.00 1.00 H new ATOM 0 HE3 LYS A 70 89.154 -3.342 3.551 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 88.977 -5.520 3.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 90.504 -5.895 3.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 89.160 -5.770 4.758 1.00 1.00 H new ATOM 1013 N THR A 71 90.954 -6.314 -1.106 1.00 1.00 N ATOM 1014 CA THR A 71 90.427 -7.230 -2.099 1.00 1.00 C ATOM 1015 C THR A 71 91.407 -8.384 -2.287 1.00 1.00 C ATOM 1016 O THR A 71 91.010 -9.526 -2.516 1.00 1.00 O ATOM 1017 CB THR A 71 90.217 -6.501 -3.427 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.457 -6.016 -3.913 1.00 1.00 O ATOM 1019 CG2 THR A 71 89.255 -5.330 -3.220 1.00 1.00 C ATOM 0 H THR A 71 91.361 -5.462 -1.491 1.00 1.00 H new ATOM 0 HA THR A 71 89.467 -7.619 -1.760 1.00 1.00 H new ATOM 0 HB THR A 71 89.795 -7.195 -4.154 1.00 1.00 H new ATOM 0 HG1 THR A 71 92.010 -5.719 -3.160 1.00 1.00 H new ATOM 0 HG21 THR A 71 89.105 -4.810 -4.166 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.298 -5.705 -2.857 1.00 1.00 H new ATOM 0 HG23 THR A 71 89.675 -4.639 -2.489 1.00 1.00 H new ATOM 1027 N GLY A 72 92.696 -8.064 -2.179 1.00 1.00 N ATOM 1028 CA GLY A 72 93.747 -9.060 -2.322 1.00 1.00 C ATOM 1029 C GLY A 72 94.119 -9.274 -3.779 1.00 1.00 C ATOM 1030 O GLY A 72 94.743 -10.277 -4.124 1.00 1.00 O ATOM 0 H GLY A 72 93.034 -7.120 -1.993 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.628 -8.743 -1.764 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.417 -10.004 -1.888 1.00 1.00 H new ATOM 1034 N LYS A 73 93.727 -8.335 -4.640 1.00 1.00 N ATOM 1035 CA LYS A 73 94.037 -8.460 -6.074 1.00 1.00 C ATOM 1036 C LYS A 73 95.252 -7.612 -6.444 1.00 1.00 C ATOM 1037 O LYS A 73 95.204 -6.389 -6.322 1.00 1.00 O ATOM 1038 CB LYS A 73 92.824 -8.007 -6.911 1.00 1.00 C ATOM 1039 CG LYS A 73 91.766 -9.138 -7.053 1.00 1.00 C ATOM 1040 CD LYS A 73 90.561 -8.871 -6.145 1.00 1.00 C ATOM 1041 CE LYS A 73 89.439 -9.862 -6.472 1.00 1.00 C ATOM 1042 NZ LYS A 73 90.025 -11.158 -6.922 1.00 1.00 N ATOM 0 H LYS A 73 93.206 -7.496 -4.384 1.00 1.00 H new ATOM 0 HA LYS A 73 94.263 -9.505 -6.285 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.365 -7.136 -6.444 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.160 -7.697 -7.901 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.438 -9.207 -8.090 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.215 -10.097 -6.796 1.00 1.00 H new ATOM 0 HD2 LYS A 73 90.853 -8.969 -5.099 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.208 -7.849 -6.283 1.00 1.00 H new ATOM 0 HE2 LYS A 73 88.814 -10.021 -5.593 1.00 1.00 H new ATOM 0 HE3 LYS A 73 88.796 -9.453 -7.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 89.282 -11.885 -6.947 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 90.430 -11.044 -7.873 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 90.772 -11.450 -6.260 1.00 1.00 H new ATOM 1056 N PRO A 74 96.349 -8.221 -6.880 1.00 1.00 N ATOM 1057 CA PRO A 74 97.568 -7.458 -7.233 1.00 1.00 C ATOM 1058 C PRO A 74 97.371 -6.434 -8.343 1.00 1.00 C ATOM 1059 O PRO A 74 96.551 -6.601 -9.247 1.00 1.00 O ATOM 1060 CB PRO A 74 98.581 -8.526 -7.661 1.00 1.00 C ATOM 1061 CG PRO A 74 98.084 -9.790 -7.073 1.00 1.00 C ATOM 1062 CD PRO A 74 96.582 -9.675 -7.075 1.00 1.00 C ATOM 0 HA PRO A 74 97.891 -6.860 -6.381 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.645 -8.595 -8.747 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.581 -8.289 -7.297 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.412 -10.650 -7.657 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.465 -9.928 -6.061 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.153 -10.029 -8.013 1.00 1.00 H new ATOM 0 HD3 PRO A 74 96.133 -10.265 -6.276 1.00 1.00 H new ATOM 1070 N ALA A 75 98.190 -5.397 -8.271 1.00 1.00 N ATOM 1071 CA ALA A 75 98.210 -4.326 -9.261 1.00 1.00 C ATOM 1072 C ALA A 75 99.637 -4.223 -9.787 1.00 1.00 C ATOM 1073 O ALA A 75 100.577 -4.529 -9.052 1.00 1.00 O ATOM 1074 CB ALA A 75 97.786 -2.998 -8.626 1.00 1.00 C ATOM 0 H ALA A 75 98.867 -5.272 -7.518 1.00 1.00 H new ATOM 0 HA ALA A 75 97.512 -4.542 -10.070 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.807 -2.211 -9.380 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.776 -3.091 -8.227 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.473 -2.745 -7.818 1.00 1.00 H new ATOM 1080 N THR A 76 99.818 -3.816 -11.046 1.00 1.00 N ATOM 1081 CA THR A 76 101.168 -3.724 -11.613 1.00 1.00 C ATOM 1082 C THR A 76 101.670 -2.295 -11.687 1.00 1.00 C ATOM 1083 O THR A 76 100.947 -1.382 -12.085 1.00 1.00 O ATOM 1084 CB THR A 76 101.196 -4.338 -13.007 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.413 -3.982 -13.652 1.00 1.00 O ATOM 1086 CG2 THR A 76 100.014 -3.826 -13.830 1.00 1.00 C ATOM 0 H THR A 76 99.066 -3.550 -11.681 1.00 1.00 H new ATOM 0 HA THR A 76 101.829 -4.276 -10.945 1.00 1.00 H new ATOM 0 HB THR A 76 101.126 -5.422 -12.923 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.436 -4.377 -14.549 1.00 1.00 H new ATOM 0 HG21 THR A 76 100.043 -4.271 -14.825 1.00 1.00 H new ATOM 0 HG22 THR A 76 99.081 -4.100 -13.337 1.00 1.00 H new ATOM 0 HG23 THR A 76 100.073 -2.741 -13.916 1.00 1.00 H new ATOM 1094 N PHE A 77 102.941 -2.124 -11.310 1.00 1.00 N ATOM 1095 CA PHE A 77 103.586 -0.824 -11.333 1.00 1.00 C ATOM 1096 C PHE A 77 104.999 -0.941 -11.813 1.00 1.00 C ATOM 1097 O PHE A 77 105.703 -1.903 -11.518 1.00 1.00 O ATOM 1098 CB PHE A 77 103.668 -0.218 -9.938 1.00 1.00 C ATOM 1099 CG PHE A 77 102.291 0.056 -9.393 1.00 1.00 C ATOM 1100 CD1 PHE A 77 101.920 -0.487 -8.167 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.387 0.842 -10.120 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.629 -0.254 -7.662 1.00 1.00 C ATOM 1103 CE2 PHE A 77 100.112 1.080 -9.619 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.726 0.532 -8.393 1.00 1.00 C ATOM 0 H PHE A 77 103.541 -2.882 -10.984 1.00 1.00 H new ATOM 0 HA PHE A 77 102.986 -0.200 -11.995 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.199 -0.898 -9.272 1.00 1.00 H new ATOM 0 HB3 PHE A 77 104.242 0.708 -9.972 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.622 -1.086 -7.605 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.681 1.263 -11.070 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.333 -0.679 -6.714 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.418 1.690 -10.179 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.733 0.713 -8.009 1.00 1.00 H new ATOM 1114 N GLN A 78 105.435 0.102 -12.469 1.00 1.00 N ATOM 1115 CA GLN A 78 106.811 0.180 -12.898 1.00 1.00 C ATOM 1116 C GLN A 78 107.543 0.884 -11.793 1.00 1.00 C ATOM 1117 O GLN A 78 107.132 1.959 -11.360 1.00 1.00 O ATOM 1118 CB GLN A 78 106.980 0.923 -14.222 1.00 1.00 C ATOM 1119 CG GLN A 78 106.455 0.054 -15.362 1.00 1.00 C ATOM 1120 CD GLN A 78 106.905 0.626 -16.698 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.669 1.672 -16.698 1.00 1.00 O flip ATOM 1122 NE2 GLN A 78 106.561 0.101 -17.756 1.00 1.00 N flip ATOM 0 H GLN A 78 104.862 0.908 -12.718 1.00 1.00 H new ATOM 0 HA GLN A 78 107.205 -0.820 -13.083 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.439 1.869 -14.192 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.031 1.162 -14.386 1.00 1.00 H new ATOM 0 HG2 GLN A 78 106.821 -0.967 -15.251 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.367 0.008 -15.324 1.00 1.00 H new ATOM 0 HE21 GLN A 78 105.959 -0.722 -17.745 1.00 1.00 H new ATOM 0 HE22 GLN A 78 106.878 0.489 -18.645 1.00 1.00 H new ATOM 1131 N VAL A 79 108.589 0.267 -11.285 1.00 1.00 N ATOM 1132 CA VAL A 79 109.278 0.873 -10.182 1.00 1.00 C ATOM 1133 C VAL A 79 109.735 2.285 -10.558 1.00 1.00 C ATOM 1134 O VAL A 79 109.840 3.149 -9.699 1.00 1.00 O ATOM 1135 CB VAL A 79 110.511 0.052 -9.794 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.109 0.616 -8.528 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.161 -1.398 -9.519 1.00 1.00 C ATOM 0 H VAL A 79 108.966 -0.624 -11.609 1.00 1.00 H new ATOM 0 HA VAL A 79 108.588 0.913 -9.339 1.00 1.00 H new ATOM 0 HB VAL A 79 111.209 0.102 -10.630 1.00 1.00 H new ATOM 0 HG11 VAL A 79 111.987 0.033 -8.249 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.399 1.653 -8.694 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.373 0.569 -7.726 1.00 1.00 H new ATOM 0 HG21 VAL A 79 111.064 -1.945 -9.247 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.445 -1.450 -8.699 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.723 -1.842 -10.413 1.00 1.00 H new ATOM 1141 N SER A 80 110.019 2.520 -11.842 1.00 1.00 N ATOM 1142 CA SER A 80 110.498 3.834 -12.256 1.00 1.00 C ATOM 1143 C SER A 80 109.398 4.884 -12.253 1.00 1.00 C ATOM 1144 O SER A 80 109.675 6.076 -12.123 1.00 1.00 O ATOM 1145 CB SER A 80 111.100 3.760 -13.661 1.00 1.00 C ATOM 1146 OG SER A 80 111.080 5.054 -14.246 1.00 1.00 O ATOM 0 H SER A 80 109.928 1.835 -12.593 1.00 1.00 H new ATOM 0 HA SER A 80 111.254 4.131 -11.530 1.00 1.00 H new ATOM 0 HB2 SER A 80 112.123 3.386 -13.612 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.533 3.061 -14.276 1.00 1.00 H new ATOM 0 HG SER A 80 110.255 5.167 -14.762 1.00 1.00 H new ATOM 1152 N GLN A 81 108.160 4.446 -12.413 1.00 1.00 N ATOM 1153 CA GLN A 81 107.030 5.374 -12.445 1.00 1.00 C ATOM 1154 C GLN A 81 106.284 5.402 -11.125 1.00 1.00 C ATOM 1155 O GLN A 81 105.481 6.298 -10.891 1.00 1.00 O ATOM 1156 CB GLN A 81 106.032 4.940 -13.525 1.00 1.00 C ATOM 1157 CG GLN A 81 106.718 4.792 -14.878 1.00 1.00 C ATOM 1158 CD GLN A 81 107.523 6.045 -15.208 1.00 1.00 C ATOM 1159 OE1 GLN A 81 108.798 5.939 -15.466 1.00 1.00 O flip ATOM 1160 NE2 GLN A 81 106.979 7.149 -15.219 1.00 1.00 N flip ATOM 0 H GLN A 81 107.908 3.464 -12.522 1.00 1.00 H new ATOM 0 HA GLN A 81 107.437 6.364 -12.652 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.573 3.993 -13.241 1.00 1.00 H new ATOM 0 HB3 GLN A 81 105.229 5.674 -13.599 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.376 3.923 -14.866 1.00 1.00 H new ATOM 0 HG3 GLN A 81 105.972 4.617 -15.653 1.00 1.00 H new ATOM 0 HE21 GLN A 81 105.982 7.228 -15.017 1.00 1.00 H new ATOM 0 HE22 GLN A 81 107.525 7.984 -15.430 1.00 1.00 H new ATOM 1169 N VAL A 82 106.509 4.411 -10.273 1.00 1.00 N ATOM 1170 CA VAL A 82 105.763 4.357 -9.029 1.00 1.00 C ATOM 1171 C VAL A 82 106.178 5.472 -8.066 1.00 1.00 C ATOM 1172 O VAL A 82 107.142 6.192 -8.323 1.00 1.00 O ATOM 1173 CB VAL A 82 105.898 2.957 -8.424 1.00 1.00 C ATOM 1174 CG1 VAL A 82 107.170 2.832 -7.618 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.713 2.655 -7.540 1.00 1.00 C ATOM 0 H VAL A 82 107.181 3.657 -10.415 1.00 1.00 H new ATOM 0 HA VAL A 82 104.707 4.537 -9.231 1.00 1.00 H new ATOM 0 HB VAL A 82 105.934 2.241 -9.245 1.00 1.00 H new ATOM 0 HG11 VAL A 82 107.239 1.827 -7.201 1.00 1.00 H new ATOM 0 HG12 VAL A 82 108.029 3.017 -8.263 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.161 3.562 -6.808 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.821 1.657 -7.116 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.663 3.388 -6.735 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.798 2.702 -8.130 1.00 1.00 H new ATOM 1179 N ILE A 83 105.429 5.645 -6.970 1.00 1.00 N ATOM 1180 CA ILE A 83 105.747 6.719 -6.033 1.00 1.00 C ATOM 1181 C ILE A 83 107.228 6.591 -5.602 1.00 1.00 C ATOM 1182 O ILE A 83 107.743 5.475 -5.533 1.00 1.00 O ATOM 1183 CB ILE A 83 104.796 6.681 -4.791 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.703 5.642 -4.995 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.128 8.045 -4.601 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.722 5.690 -3.827 1.00 1.00 C ATOM 0 H ILE A 83 104.623 5.072 -6.718 1.00 1.00 H new ATOM 0 HA ILE A 83 105.597 7.680 -6.524 1.00 1.00 H new ATOM 0 HB ILE A 83 105.392 6.427 -3.915 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.178 5.832 -5.931 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.143 4.648 -5.072 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.468 8.009 -3.734 1.00 1.00 H new ATOM 0 HG22 ILE A 83 104.893 8.806 -4.444 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.547 8.293 -5.490 1.00 1.00 H new ATOM 0 HD11 ILE A 83 101.941 4.945 -3.977 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.252 5.479 -2.898 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.272 6.681 -3.771 1.00 1.00 H new ATOM 1193 N PRO A 84 107.936 7.682 -5.334 1.00 1.00 N ATOM 1194 CA PRO A 84 109.379 7.610 -4.944 1.00 1.00 C ATOM 1195 C PRO A 84 109.638 6.655 -3.793 1.00 1.00 C ATOM 1196 O PRO A 84 110.603 5.893 -3.811 1.00 1.00 O ATOM 1197 CB PRO A 84 109.711 9.040 -4.507 1.00 1.00 C ATOM 1198 CG PRO A 84 108.750 9.903 -5.243 1.00 1.00 C ATOM 1199 CD PRO A 84 107.468 9.088 -5.367 1.00 1.00 C ATOM 0 HA PRO A 84 109.987 7.239 -5.769 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.601 9.158 -3.429 1.00 1.00 H new ATOM 0 HB3 PRO A 84 110.741 9.298 -4.753 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.571 10.834 -4.706 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.139 10.171 -6.225 1.00 1.00 H new ATOM 0 HD2 PRO A 84 106.779 9.299 -4.549 1.00 1.00 H new ATOM 0 HD3 PRO A 84 106.940 9.312 -6.294 1.00 1.00 H new ATOM 1207 N GLY A 85 108.792 6.710 -2.785 1.00 1.00 N ATOM 1208 CA GLY A 85 108.982 5.841 -1.642 1.00 1.00 C ATOM 1209 C GLY A 85 108.938 4.395 -2.091 1.00 1.00 C ATOM 1210 O GLY A 85 109.789 3.579 -1.736 1.00 1.00 O ATOM 0 H GLY A 85 107.985 7.331 -2.732 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.938 6.055 -1.164 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.206 6.026 -0.899 1.00 1.00 H new ATOM 1214 N TRP A 86 107.927 4.108 -2.890 1.00 1.00 N ATOM 1215 CA TRP A 86 107.715 2.780 -3.437 1.00 1.00 C ATOM 1216 C TRP A 86 108.882 2.384 -4.341 1.00 1.00 C ATOM 1217 O TRP A 86 109.260 1.219 -4.410 1.00 1.00 O ATOM 1218 CB TRP A 86 106.407 2.794 -4.247 1.00 1.00 C ATOM 1219 CG TRP A 86 105.224 2.478 -3.385 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.823 3.167 -2.289 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.262 1.421 -3.566 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.688 2.575 -1.780 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.299 1.498 -2.539 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.131 0.402 -4.512 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.249 0.598 -2.460 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.072 -0.499 -4.434 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.131 -0.403 -3.410 1.00 1.00 C ATOM 0 H TRP A 86 107.227 4.791 -3.179 1.00 1.00 H new ATOM 0 HA TRP A 86 107.650 2.054 -2.627 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.273 3.773 -4.706 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.472 2.068 -5.058 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.313 4.038 -1.881 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.198 2.896 -0.945 1.00 1.00 H new ATOM 0 HE3 TRP A 86 104.855 0.312 -5.308 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.526 0.676 -1.662 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 102.979 -1.280 -5.174 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.313 -1.106 -3.358 1.00 1.00 H new ATOM 1238 N THR A 87 109.430 3.356 -5.049 1.00 1.00 N ATOM 1239 CA THR A 87 110.522 3.084 -5.965 1.00 1.00 C ATOM 1240 C THR A 87 111.639 2.307 -5.272 1.00 1.00 C ATOM 1241 O THR A 87 112.073 1.259 -5.748 1.00 1.00 O ATOM 1242 CB THR A 87 111.074 4.415 -6.472 1.00 1.00 C ATOM 1243 OG1 THR A 87 110.003 5.212 -6.956 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.075 4.179 -7.593 1.00 1.00 C ATOM 0 H THR A 87 109.139 4.333 -5.008 1.00 1.00 H new ATOM 0 HA THR A 87 110.148 2.480 -6.792 1.00 1.00 H new ATOM 0 HB THR A 87 111.577 4.927 -5.652 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.381 5.404 -6.223 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.460 5.136 -7.944 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.900 3.570 -7.222 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.584 3.661 -8.417 1.00 1.00 H new ATOM 1252 N GLU A 88 112.102 2.844 -4.159 1.00 1.00 N ATOM 1253 CA GLU A 88 113.182 2.224 -3.398 1.00 1.00 C ATOM 1254 C GLU A 88 112.737 0.948 -2.671 1.00 1.00 C ATOM 1255 O GLU A 88 113.460 -0.048 -2.658 1.00 1.00 O ATOM 1256 CB GLU A 88 113.718 3.241 -2.389 1.00 1.00 C ATOM 1257 CG GLU A 88 114.940 2.672 -1.661 1.00 1.00 C ATOM 1258 CD GLU A 88 115.460 3.691 -0.654 1.00 1.00 C ATOM 1259 OE1 GLU A 88 114.715 4.599 -0.326 1.00 1.00 O ATOM 1260 OE2 GLU A 88 116.597 3.555 -0.232 1.00 1.00 O ATOM 0 H GLU A 88 111.748 3.712 -3.756 1.00 1.00 H new ATOM 0 HA GLU A 88 113.962 1.928 -4.100 1.00 1.00 H new ATOM 0 HB2 GLU A 88 113.988 4.164 -2.901 1.00 1.00 H new ATOM 0 HB3 GLU A 88 112.941 3.493 -1.668 1.00 1.00 H new ATOM 0 HG2 GLU A 88 114.673 1.746 -1.151 1.00 1.00 H new ATOM 0 HG3 GLU A 88 115.721 2.426 -2.380 1.00 1.00 H new ATOM 1267 N ALA A 89 111.576 1.006 -2.027 1.00 1.00 N ATOM 1268 CA ALA A 89 111.066 -0.124 -1.243 1.00 1.00 C ATOM 1269 C ALA A 89 110.874 -1.420 -2.044 1.00 1.00 C ATOM 1270 O ALA A 89 111.263 -2.490 -1.576 1.00 1.00 O ATOM 1271 CB ALA A 89 109.733 0.264 -0.614 1.00 1.00 C ATOM 0 H ALA A 89 110.966 1.823 -2.030 1.00 1.00 H new ATOM 0 HA ALA A 89 111.827 -0.335 -0.492 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.349 -0.572 -0.030 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.875 1.126 0.037 1.00 1.00 H new ATOM 0 HB3 ALA A 89 109.020 0.516 -1.399 1.00 1.00 H new ATOM 1277 N LEU A 90 110.256 -1.345 -3.217 1.00 1.00 N ATOM 1278 CA LEU A 90 110.013 -2.558 -4.002 1.00 1.00 C ATOM 1279 C LEU A 90 111.335 -3.251 -4.286 1.00 1.00 C ATOM 1280 O LEU A 90 111.451 -4.473 -4.192 1.00 1.00 O ATOM 1281 CB LEU A 90 109.389 -2.187 -5.341 1.00 1.00 C ATOM 1282 CG LEU A 90 108.057 -1.459 -5.128 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.735 -0.662 -6.383 1.00 1.00 C ATOM 1284 CD2 LEU A 90 106.937 -2.457 -4.843 1.00 1.00 C ATOM 0 H LEU A 90 109.919 -0.481 -3.641 1.00 1.00 H new ATOM 0 HA LEU A 90 109.347 -3.212 -3.439 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.072 -1.551 -5.904 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.228 -3.086 -5.936 1.00 1.00 H new ATOM 0 HG LEU A 90 108.141 -0.792 -4.270 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.789 -0.137 -6.248 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.529 0.062 -6.568 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.656 -1.339 -7.234 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.000 -1.920 -4.695 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.834 -3.140 -5.687 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.176 -3.025 -3.944 1.00 1.00 H new ATOM 1296 N GLN A 91 112.323 -2.445 -4.638 1.00 1.00 N ATOM 1297 CA GLN A 91 113.646 -2.940 -4.949 1.00 1.00 C ATOM 1298 C GLN A 91 114.265 -3.603 -3.729 1.00 1.00 C ATOM 1299 O GLN A 91 115.210 -4.382 -3.843 1.00 1.00 O ATOM 1300 CB GLN A 91 114.524 -1.776 -5.390 1.00 1.00 C ATOM 1301 CG GLN A 91 113.922 -1.128 -6.637 1.00 1.00 C ATOM 1302 CD GLN A 91 114.739 0.098 -7.033 1.00 1.00 C ATOM 1303 OE1 GLN A 91 115.965 0.030 -7.103 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.129 1.218 -7.302 1.00 1.00 N ATOM 0 H GLN A 91 112.227 -1.432 -4.715 1.00 1.00 H new ATOM 0 HA GLN A 91 113.570 -3.677 -5.749 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.603 -1.042 -4.588 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.534 -2.128 -5.601 1.00 1.00 H new ATOM 0 HG2 GLN A 91 113.906 -1.845 -7.458 1.00 1.00 H new ATOM 0 HG3 GLN A 91 112.888 -0.840 -6.445 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.112 1.272 -7.243 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.669 2.041 -7.571 1.00 1.00 H new ATOM 1313 N LEU A 92 113.737 -3.269 -2.553 1.00 1.00 N ATOM 1314 CA LEU A 92 114.256 -3.825 -1.302 1.00 1.00 C ATOM 1315 C LEU A 92 113.319 -4.863 -0.731 1.00 1.00 C ATOM 1316 O LEU A 92 113.681 -5.559 0.209 1.00 1.00 O ATOM 1317 CB LEU A 92 114.451 -2.718 -0.268 1.00 1.00 C ATOM 1318 CG LEU A 92 115.485 -1.700 -0.751 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.552 -0.566 0.252 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.857 -2.353 -0.902 1.00 1.00 C ATOM 0 H LEU A 92 112.957 -2.622 -2.439 1.00 1.00 H new ATOM 0 HA LEU A 92 115.212 -4.296 -1.528 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.501 -2.217 -0.081 1.00 1.00 H new ATOM 0 HB3 LEU A 92 114.775 -3.151 0.678 1.00 1.00 H new ATOM 0 HG LEU A 92 115.189 -1.317 -1.727 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.286 0.169 -0.078 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.574 -0.092 0.331 1.00 1.00 H new ATOM 0 HD13 LEU A 92 115.845 -0.958 1.226 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.577 -1.611 -1.247 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.178 -2.751 0.060 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.796 -3.164 -1.628 1.00 1.00 H new ATOM 1332 N MET A 93 112.116 -4.952 -1.281 1.00 1.00 N ATOM 1333 CA MET A 93 111.128 -5.910 -0.789 1.00 1.00 C ATOM 1334 C MET A 93 111.201 -7.245 -1.567 1.00 1.00 C ATOM 1335 O MET A 93 110.767 -7.299 -2.714 1.00 1.00 O ATOM 1336 CB MET A 93 109.733 -5.302 -0.956 1.00 1.00 C ATOM 1337 CG MET A 93 108.686 -6.295 -0.465 1.00 1.00 C ATOM 1338 SD MET A 93 107.086 -5.460 -0.289 1.00 1.00 S ATOM 1339 CE MET A 93 106.606 -5.413 -2.036 1.00 1.00 C ATOM 0 H MET A 93 111.799 -4.378 -2.063 1.00 1.00 H new ATOM 0 HA MET A 93 111.336 -6.120 0.260 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.660 -4.372 -0.393 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.554 -5.056 -2.003 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.599 -7.124 -1.168 1.00 1.00 H new ATOM 0 HG3 MET A 93 108.993 -6.719 0.491 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.457 -4.378 -2.345 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.393 -5.862 -2.642 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.679 -5.970 -2.174 1.00 1.00 H new ATOM 1349 N PRO A 94 111.713 -8.329 -0.985 1.00 1.00 N ATOM 1350 CA PRO A 94 111.784 -9.655 -1.679 1.00 1.00 C ATOM 1351 C PRO A 94 110.408 -10.236 -1.994 1.00 1.00 C ATOM 1352 O PRO A 94 109.442 -10.030 -1.258 1.00 1.00 O ATOM 1353 CB PRO A 94 112.567 -10.548 -0.706 1.00 1.00 C ATOM 1354 CG PRO A 94 113.235 -9.614 0.240 1.00 1.00 C ATOM 1355 CD PRO A 94 112.295 -8.433 0.361 1.00 1.00 C ATOM 0 HA PRO A 94 112.264 -9.570 -2.654 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.902 -11.232 -0.179 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.298 -11.159 -1.236 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.401 -10.086 1.208 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.210 -9.304 -0.135 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.530 -8.603 1.119 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.825 -7.523 0.642 1.00 1.00 H new ATOM 1363 N ALA A 95 110.336 -10.967 -3.101 1.00 1.00 N ATOM 1364 CA ALA A 95 109.081 -11.573 -3.519 1.00 1.00 C ATOM 1365 C ALA A 95 108.573 -12.562 -2.495 1.00 1.00 C ATOM 1366 O ALA A 95 109.316 -13.399 -1.983 1.00 1.00 O ATOM 1367 CB ALA A 95 109.219 -12.238 -4.881 1.00 1.00 C ATOM 0 H ALA A 95 111.126 -11.152 -3.719 1.00 1.00 H new ATOM 0 HA ALA A 95 108.347 -10.771 -3.602 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.266 -12.682 -5.167 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.509 -11.493 -5.622 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.981 -13.016 -4.831 1.00 1.00 H new ATOM 1373 N GLY A 96 107.290 -12.428 -2.188 1.00 1.00 N ATOM 1374 CA GLY A 96 106.647 -13.272 -1.206 1.00 1.00 C ATOM 1375 C GLY A 96 106.658 -12.553 0.126 1.00 1.00 C ATOM 1376 O GLY A 96 105.880 -12.862 1.027 1.00 1.00 O ATOM 0 H GLY A 96 106.674 -11.734 -2.613 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.623 -13.493 -1.509 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.169 -14.226 -1.126 1.00 1.00 H new ATOM 1380 N SER A 97 107.549 -11.566 0.237 1.00 1.00 N ATOM 1381 CA SER A 97 107.645 -10.786 1.457 1.00 1.00 C ATOM 1382 C SER A 97 106.626 -9.660 1.435 1.00 1.00 C ATOM 1383 O SER A 97 106.514 -8.925 0.455 1.00 1.00 O ATOM 1384 CB SER A 97 109.055 -10.207 1.596 1.00 1.00 C ATOM 1385 OG SER A 97 109.127 -8.984 0.881 1.00 1.00 O ATOM 0 H SER A 97 108.204 -11.295 -0.497 1.00 1.00 H new ATOM 0 HA SER A 97 107.440 -11.435 2.309 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.292 -10.043 2.647 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.791 -10.912 1.210 1.00 1.00 H new ATOM 0 HG SER A 97 108.911 -9.143 -0.062 1.00 1.00 H new ATOM 1391 N THR A 98 105.889 -9.522 2.532 1.00 1.00 N ATOM 1392 CA THR A 98 104.882 -8.472 2.644 1.00 1.00 C ATOM 1393 C THR A 98 105.389 -7.379 3.553 1.00 1.00 C ATOM 1394 O THR A 98 105.607 -7.603 4.741 1.00 1.00 O ATOM 1395 CB THR A 98 103.577 -9.023 3.207 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.106 -10.079 2.382 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.550 -7.900 3.230 1.00 1.00 C ATOM 0 H THR A 98 105.969 -10.121 3.353 1.00 1.00 H new ATOM 0 HA THR A 98 104.693 -8.074 1.647 1.00 1.00 H new ATOM 0 HB THR A 98 103.739 -9.406 4.214 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.952 -9.742 1.475 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.609 -8.276 3.630 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.913 -7.088 3.859 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.392 -7.531 2.217 1.00 1.00 H new ATOM 1405 N TRP A 99 105.619 -6.197 2.993 1.00 1.00 N ATOM 1406 CA TRP A 99 106.138 -5.076 3.774 1.00 1.00 C ATOM 1407 C TRP A 99 105.130 -3.936 3.841 1.00 1.00 C ATOM 1408 O TRP A 99 104.201 -3.843 3.041 1.00 1.00 O ATOM 1409 CB TRP A 99 107.411 -4.493 3.132 1.00 1.00 C ATOM 1410 CG TRP A 99 108.604 -5.411 3.212 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.614 -6.728 3.548 1.00 1.00 C ATOM 1412 CD2 TRP A 99 109.992 -5.058 2.955 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.910 -7.199 3.499 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.800 -6.204 3.141 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.614 -3.853 2.578 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.183 -6.157 2.960 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 112.005 -3.802 2.398 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.788 -4.952 2.588 1.00 1.00 C ATOM 0 H TRP A 99 105.456 -5.989 2.008 1.00 1.00 H new ATOM 0 HA TRP A 99 106.347 -5.470 4.768 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.208 -4.265 2.085 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.655 -3.550 3.622 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.745 -7.313 3.812 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.178 -8.162 3.702 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.019 -2.965 2.427 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.781 -7.044 3.106 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.476 -2.873 2.112 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.858 -4.906 2.447 1.00 1.00 H new ATOM 1429 N GLU A 100 105.409 -3.031 4.766 1.00 1.00 N ATOM 1430 CA GLU A 100 104.639 -1.808 4.947 1.00 1.00 C ATOM 1431 C GLU A 100 105.627 -0.674 4.883 1.00 1.00 C ATOM 1432 O GLU A 100 106.674 -0.751 5.522 1.00 1.00 O ATOM 1433 CB GLU A 100 103.919 -1.768 6.299 1.00 1.00 C ATOM 1434 CG GLU A 100 102.651 -2.609 6.236 1.00 1.00 C ATOM 1435 CD GLU A 100 101.985 -2.663 7.607 1.00 1.00 C ATOM 1436 OE1 GLU A 100 100.954 -3.306 7.719 1.00 1.00 O ATOM 1437 OE2 GLU A 100 102.515 -2.059 8.525 1.00 1.00 O ATOM 0 H GLU A 100 106.186 -3.125 5.421 1.00 1.00 H new ATOM 0 HA GLU A 100 103.870 -1.743 4.177 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.577 -2.144 7.082 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.671 -0.739 6.558 1.00 1.00 H new ATOM 0 HG2 GLU A 100 101.962 -2.186 5.505 1.00 1.00 H new ATOM 0 HG3 GLU A 100 102.892 -3.618 5.901 1.00 1.00 H new ATOM 1444 N ILE A 101 105.325 0.373 4.117 1.00 1.00 N ATOM 1445 CA ILE A 101 106.240 1.492 4.010 1.00 1.00 C ATOM 1446 C ILE A 101 105.507 2.784 4.282 1.00 1.00 C ATOM 1447 O ILE A 101 104.354 2.970 3.895 1.00 1.00 O ATOM 1448 CB ILE A 101 106.972 1.478 2.661 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.164 2.125 1.536 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.255 0.017 2.306 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.044 2.163 0.296 1.00 1.00 C ATOM 0 H ILE A 101 104.467 0.464 3.572 1.00 1.00 H new ATOM 0 HA ILE A 101 107.017 1.402 4.769 1.00 1.00 H new ATOM 0 HB ILE A 101 107.888 2.061 2.760 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.255 1.556 1.342 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.856 3.132 1.817 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.776 -0.031 1.350 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.876 -0.432 3.081 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.314 -0.529 2.234 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.494 2.620 -0.527 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.940 2.748 0.503 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.330 1.148 0.021 1.00 1.00 H new ATOM 1458 N TYR A 102 106.190 3.652 5.005 1.00 1.00 N ATOM 1459 CA TYR A 102 105.641 4.925 5.412 1.00 1.00 C ATOM 1460 C TYR A 102 106.391 5.969 4.615 1.00 1.00 C ATOM 1461 O TYR A 102 107.572 6.232 4.846 1.00 1.00 O ATOM 1462 CB TYR A 102 105.850 5.107 6.929 1.00 1.00 C ATOM 1463 CG TYR A 102 105.285 3.911 7.709 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.671 2.594 7.403 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.353 4.117 8.747 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.140 1.515 8.103 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.828 3.028 9.457 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.221 1.726 9.132 1.00 1.00 C ATOM 1469 OH TYR A 102 103.690 0.650 9.814 1.00 1.00 O ATOM 0 H TYR A 102 107.145 3.490 5.326 1.00 1.00 H new ATOM 0 HA TYR A 102 104.570 5.002 5.227 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.913 5.216 7.143 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.363 6.024 7.260 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.388 2.418 6.615 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.041 5.120 8.997 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.440 0.509 7.849 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.120 3.195 10.255 1.00 1.00 H new ATOM 0 HH TYR A 102 103.379 -0.023 9.173 1.00 1.00 H new ATOM 1479 N VAL A 103 105.712 6.468 3.595 1.00 1.00 N ATOM 1480 CA VAL A 103 106.315 7.386 2.644 1.00 1.00 C ATOM 1481 C VAL A 103 106.186 8.865 2.984 1.00 1.00 C ATOM 1482 O VAL A 103 105.084 9.409 2.954 1.00 1.00 O ATOM 1483 CB VAL A 103 105.692 7.186 1.273 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.544 7.902 0.232 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.619 5.698 0.945 1.00 1.00 C ATOM 0 H VAL A 103 104.734 6.250 3.404 1.00 1.00 H new ATOM 0 HA VAL A 103 107.377 7.144 2.673 1.00 1.00 H new ATOM 0 HB VAL A 103 104.682 7.596 1.268 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.104 7.764 -0.756 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.585 8.966 0.465 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.553 7.489 0.241 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.171 5.564 -0.040 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.624 5.275 0.947 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.010 5.190 1.693 1.00 1.00 H new ATOM 1489 N PRO A 104 107.289 9.543 3.222 1.00 1.00 N ATOM 1490 CA PRO A 104 107.265 11.006 3.478 1.00 1.00 C ATOM 1491 C PRO A 104 106.470 11.710 2.379 1.00 1.00 C ATOM 1492 O PRO A 104 106.492 11.285 1.225 1.00 1.00 O ATOM 1493 CB PRO A 104 108.749 11.410 3.420 1.00 1.00 C ATOM 1494 CG PRO A 104 109.527 10.162 3.721 1.00 1.00 C ATOM 1495 CD PRO A 104 108.660 8.994 3.292 1.00 1.00 C ATOM 0 HA PRO A 104 106.796 11.273 4.425 1.00 1.00 H new ATOM 0 HB2 PRO A 104 109.008 11.805 2.438 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.970 12.192 4.146 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.475 10.158 3.184 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.762 10.100 4.783 1.00 1.00 H new ATOM 0 HD2 PRO A 104 108.978 8.600 2.327 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.721 8.173 4.007 1.00 1.00 H new ATOM 1503 N SER A 105 105.750 12.758 2.740 1.00 1.00 N ATOM 1504 CA SER A 105 104.937 13.463 1.765 1.00 1.00 C ATOM 1505 C SER A 105 105.745 13.818 0.520 1.00 1.00 C ATOM 1506 O SER A 105 105.224 13.771 -0.596 1.00 1.00 O ATOM 1507 CB SER A 105 104.360 14.736 2.386 1.00 1.00 C ATOM 1508 OG SER A 105 105.383 15.717 2.490 1.00 1.00 O ATOM 0 H SER A 105 105.711 13.135 3.687 1.00 1.00 H new ATOM 0 HA SER A 105 104.124 12.801 1.466 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.540 15.113 1.774 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.948 14.519 3.371 1.00 1.00 H new ATOM 0 HG SER A 105 105.014 16.534 2.886 1.00 1.00 H new ATOM 1514 N GLY A 106 107.015 14.157 0.706 1.00 1.00 N ATOM 1515 CA GLY A 106 107.870 14.502 -0.426 1.00 1.00 C ATOM 1516 C GLY A 106 108.116 13.290 -1.312 1.00 1.00 C ATOM 1517 O GLY A 106 108.291 13.417 -2.524 1.00 1.00 O ATOM 0 H GLY A 106 107.472 14.201 1.617 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.404 15.295 -1.010 1.00 1.00 H new ATOM 0 HA3 GLY A 106 108.821 14.891 -0.063 1.00 1.00 H new ATOM 1521 N LEU A 107 108.154 12.113 -0.694 1.00 1.00 N ATOM 1522 CA LEU A 107 108.406 10.873 -1.431 1.00 1.00 C ATOM 1523 C LEU A 107 107.103 10.154 -1.736 1.00 1.00 C ATOM 1524 O LEU A 107 107.118 9.059 -2.290 1.00 1.00 O ATOM 1525 CB LEU A 107 109.310 9.932 -0.611 1.00 1.00 C ATOM 1526 CG LEU A 107 110.640 10.616 -0.247 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.585 9.599 0.403 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.304 11.204 -1.498 1.00 1.00 C ATOM 0 H LEU A 107 108.015 11.989 0.309 1.00 1.00 H new ATOM 0 HA LEU A 107 108.902 11.138 -2.365 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.793 9.629 0.299 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.509 9.025 -1.182 1.00 1.00 H new ATOM 0 HG LEU A 107 110.433 11.424 0.454 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.525 10.088 0.659 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.125 9.201 1.307 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.778 8.784 -0.295 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.243 11.683 -1.220 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.502 10.406 -2.214 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.640 11.941 -1.950 1.00 1.00 H new ATOM 1540 N ALA A 108 105.972 10.754 -1.350 1.00 1.00 N ATOM 1541 CA ALA A 108 104.671 10.146 -1.574 1.00 1.00 C ATOM 1542 C ALA A 108 103.930 10.891 -2.665 1.00 1.00 C ATOM 1543 O ALA A 108 104.210 10.705 -3.834 1.00 1.00 O ATOM 1544 CB ALA A 108 103.821 10.161 -0.303 1.00 1.00 C ATOM 0 H ALA A 108 105.939 11.660 -0.882 1.00 1.00 H new ATOM 0 HA ALA A 108 104.840 9.111 -1.872 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.855 9.699 -0.506 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.332 9.604 0.483 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.670 11.191 0.021 1.00 1.00 H new ATOM 1550 N TYR A 109 102.960 11.720 -2.291 1.00 1.00 N ATOM 1551 CA TYR A 109 102.171 12.442 -3.276 1.00 1.00 C ATOM 1552 C TYR A 109 102.533 13.917 -3.377 1.00 1.00 C ATOM 1553 O TYR A 109 101.905 14.657 -4.136 1.00 1.00 O ATOM 1554 CB TYR A 109 100.692 12.230 -2.967 1.00 1.00 C ATOM 1555 CG TYR A 109 100.330 10.888 -3.540 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.184 9.784 -2.712 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.213 10.746 -4.923 1.00 1.00 C ATOM 1558 CE1 TYR A 109 99.921 8.540 -3.253 1.00 1.00 C ATOM 1559 CE2 TYR A 109 99.944 9.503 -5.477 1.00 1.00 C ATOM 1560 CZ TYR A 109 99.800 8.389 -4.636 1.00 1.00 C ATOM 1561 OH TYR A 109 99.547 7.148 -5.167 1.00 1.00 O ATOM 0 H TYR A 109 102.705 11.906 -1.321 1.00 1.00 H new ATOM 0 HA TYR A 109 102.400 12.038 -4.262 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.512 12.255 -1.892 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.085 13.019 -3.411 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.276 9.897 -1.642 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.332 11.607 -5.564 1.00 1.00 H new ATOM 0 HE1 TYR A 109 99.809 7.683 -2.605 1.00 1.00 H new ATOM 0 HE2 TYR A 109 99.846 9.394 -6.547 1.00 1.00 H new ATOM 0 HH TYR A 109 99.491 7.215 -6.143 1.00 1.00 H new ATOM 1571 N GLY A 110 103.569 14.342 -2.656 1.00 1.00 N ATOM 1572 CA GLY A 110 104.022 15.734 -2.740 1.00 1.00 C ATOM 1573 C GLY A 110 103.638 16.563 -1.517 1.00 1.00 C ATOM 1574 O GLY A 110 102.816 16.149 -0.698 1.00 1.00 O ATOM 0 H GLY A 110 104.105 13.755 -2.016 1.00 1.00 H new ATOM 0 HA2 GLY A 110 105.106 15.751 -2.857 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.598 16.195 -3.632 1.00 1.00 H new ATOM 1578 N PRO A 111 104.231 17.726 -1.393 1.00 1.00 N ATOM 1579 CA PRO A 111 103.974 18.664 -0.261 1.00 1.00 C ATOM 1580 C PRO A 111 102.605 19.339 -0.361 1.00 1.00 C ATOM 1581 O PRO A 111 102.086 19.860 0.624 1.00 1.00 O ATOM 1582 CB PRO A 111 105.112 19.676 -0.383 1.00 1.00 C ATOM 1583 CG PRO A 111 105.436 19.705 -1.837 1.00 1.00 C ATOM 1584 CD PRO A 111 105.224 18.279 -2.335 1.00 1.00 C ATOM 0 HA PRO A 111 103.950 18.157 0.704 1.00 1.00 H new ATOM 0 HB2 PRO A 111 104.808 20.660 -0.025 1.00 1.00 H new ATOM 0 HB3 PRO A 111 105.976 19.374 0.210 1.00 1.00 H new ATOM 0 HG2 PRO A 111 104.791 20.405 -2.368 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.463 20.029 -2.003 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.856 18.263 -3.361 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.152 17.707 -2.321 1.00 1.00 H new ATOM 1592 N ARG A 112 102.023 19.318 -1.558 1.00 1.00 N ATOM 1593 CA ARG A 112 100.711 19.925 -1.784 1.00 1.00 C ATOM 1594 C ARG A 112 99.628 18.856 -1.731 1.00 1.00 C ATOM 1595 O ARG A 112 99.926 17.664 -1.731 1.00 1.00 O ATOM 1596 CB ARG A 112 100.669 20.585 -3.163 1.00 1.00 C ATOM 1597 CG ARG A 112 101.796 21.611 -3.288 1.00 1.00 C ATOM 1598 CD ARG A 112 101.679 22.318 -4.639 1.00 1.00 C ATOM 1599 NE ARG A 112 102.864 23.121 -4.913 1.00 1.00 N ATOM 1600 CZ ARG A 112 103.082 24.280 -4.300 1.00 1.00 C ATOM 1601 NH1 ARG A 112 102.255 24.706 -3.383 1.00 1.00 N ATOM 1602 NH2 ARG A 112 104.130 24.990 -4.615 1.00 1.00 N ATOM 0 H ARG A 112 102.437 18.889 -2.385 1.00 1.00 H new ATOM 0 HA ARG A 112 100.539 20.671 -1.008 1.00 1.00 H new ATOM 0 HB2 ARG A 112 100.768 19.828 -3.941 1.00 1.00 H new ATOM 0 HB3 ARG A 112 99.705 21.072 -3.313 1.00 1.00 H new ATOM 0 HG2 ARG A 112 101.736 22.337 -2.477 1.00 1.00 H new ATOM 0 HG3 ARG A 112 102.765 21.118 -3.204 1.00 1.00 H new ATOM 0 HD2 ARG A 112 101.545 21.580 -5.429 1.00 1.00 H new ATOM 0 HD3 ARG A 112 100.794 22.955 -4.645 1.00 1.00 H new ATOM 0 HE ARG A 112 103.545 22.784 -5.594 1.00 1.00 H new ATOM 0 HH11 ARG A 112 101.438 24.149 -3.135 1.00 1.00 H new ATOM 0 HH12 ARG A 112 102.427 25.596 -2.915 1.00 1.00 H new ATOM 0 HH21 ARG A 112 104.777 24.655 -5.329 1.00 1.00 H new ATOM 0 HH22 ARG A 112 104.302 25.880 -4.148 1.00 1.00 H new ATOM 1616 N SER A 113 98.372 19.288 -1.700 1.00 1.00 N ATOM 1617 CA SER A 113 97.261 18.354 -1.673 1.00 1.00 C ATOM 1618 C SER A 113 97.057 17.768 -3.066 1.00 1.00 C ATOM 1619 O SER A 113 96.259 18.277 -3.852 1.00 1.00 O ATOM 1620 CB SER A 113 95.999 19.084 -1.250 1.00 1.00 C ATOM 1621 OG SER A 113 96.304 19.911 -0.145 1.00 1.00 O ATOM 0 H SER A 113 98.103 20.272 -1.693 1.00 1.00 H new ATOM 0 HA SER A 113 97.477 17.553 -0.966 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.614 19.683 -2.075 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.220 18.369 -0.984 1.00 1.00 H new ATOM 0 HG SER A 113 95.849 20.773 -0.246 1.00 1.00 H new ATOM 1627 N VAL A 114 97.790 16.708 -3.375 1.00 1.00 N ATOM 1628 CA VAL A 114 97.686 16.079 -4.694 1.00 1.00 C ATOM 1629 C VAL A 114 96.762 14.861 -4.647 1.00 1.00 C ATOM 1630 O VAL A 114 97.177 13.749 -4.971 1.00 1.00 O ATOM 1631 CB VAL A 114 99.075 15.643 -5.169 1.00 1.00 C ATOM 1632 CG1 VAL A 114 99.038 15.335 -6.666 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.097 16.754 -4.901 1.00 1.00 C ATOM 0 H VAL A 114 98.457 16.266 -2.742 1.00 1.00 H new ATOM 0 HA VAL A 114 97.268 16.808 -5.388 1.00 1.00 H new ATOM 0 HB VAL A 114 99.368 14.747 -4.621 1.00 1.00 H new ATOM 0 HG11 VAL A 114 100.029 15.025 -6.998 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.325 14.533 -6.855 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.734 16.227 -7.214 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.081 16.433 -5.243 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.803 17.656 -5.437 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.135 16.964 -3.832 1.00 1.00 H new ATOM 1637 N GLY A 115 95.505 15.077 -4.256 1.00 1.00 N ATOM 1638 CA GLY A 115 94.547 13.977 -4.190 1.00 1.00 C ATOM 1639 C GLY A 115 93.249 14.385 -3.486 1.00 1.00 C ATOM 1640 O GLY A 115 93.094 15.528 -3.054 1.00 1.00 O ATOM 0 H GLY A 115 95.133 15.987 -3.985 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.319 13.634 -5.199 1.00 1.00 H new ATOM 0 HA3 GLY A 115 94.997 13.136 -3.662 1.00 1.00 H new ATOM 1644 N GLY A 116 92.318 13.434 -3.386 1.00 1.00 N ATOM 1645 CA GLY A 116 91.021 13.677 -2.746 1.00 1.00 C ATOM 1646 C GLY A 116 91.182 14.122 -1.284 1.00 1.00 C ATOM 1647 O GLY A 116 91.549 15.270 -1.031 1.00 1.00 O ATOM 0 H GLY A 116 92.438 12.485 -3.741 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.479 14.442 -3.302 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.420 12.769 -2.786 1.00 1.00 H new ATOM 1651 N PRO A 117 90.898 13.267 -0.315 1.00 1.00 N ATOM 1652 CA PRO A 117 91.000 13.631 1.126 1.00 1.00 C ATOM 1653 C PRO A 117 92.422 14.012 1.482 1.00 1.00 C ATOM 1654 O PRO A 117 92.676 14.599 2.534 1.00 1.00 O ATOM 1655 CB PRO A 117 90.532 12.383 1.879 1.00 1.00 C ATOM 1656 CG PRO A 117 90.722 11.277 0.910 1.00 1.00 C ATOM 1657 CD PRO A 117 90.471 11.873 -0.467 1.00 1.00 C ATOM 0 HA PRO A 117 90.393 14.499 1.384 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.116 12.223 2.785 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.489 12.470 2.184 1.00 1.00 H new ATOM 0 HG2 PRO A 117 91.730 10.867 0.979 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.031 10.459 1.112 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.044 11.359 -1.238 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.421 11.803 -0.750 1.00 1.00 H new ATOM 1665 N ILE A 118 93.346 13.695 0.587 1.00 1.00 N ATOM 1666 CA ILE A 118 94.728 14.046 0.829 1.00 1.00 C ATOM 1667 C ILE A 118 94.856 15.562 0.762 1.00 1.00 C ATOM 1668 O ILE A 118 94.701 16.166 -0.299 1.00 1.00 O ATOM 1669 CB ILE A 118 95.658 13.434 -0.225 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.447 11.914 -0.316 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.103 13.700 0.196 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.219 11.557 -1.170 1.00 1.00 C ATOM 0 H ILE A 118 93.167 13.208 -0.291 1.00 1.00 H new ATOM 0 HA ILE A 118 95.016 13.661 1.807 1.00 1.00 H new ATOM 0 HB ILE A 118 95.442 13.880 -1.196 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.335 11.449 -0.744 1.00 1.00 H new ATOM 0 HG13 ILE A 118 95.324 11.504 0.686 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.782 13.272 -0.542 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.271 14.775 0.263 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.289 13.243 1.168 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.105 10.474 -1.209 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.327 12.000 -0.727 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.353 11.944 -2.180 1.00 1.00 H new ATOM 1679 N GLY A 119 95.139 16.167 1.902 1.00 1.00 N ATOM 1680 CA GLY A 119 95.292 17.608 1.991 1.00 1.00 C ATOM 1681 C GLY A 119 96.742 18.008 1.778 1.00 1.00 C ATOM 1682 O GLY A 119 97.559 17.202 1.336 1.00 1.00 O ATOM 0 H GLY A 119 95.269 15.677 2.787 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.663 18.092 1.245 1.00 1.00 H new ATOM 0 HA3 GLY A 119 94.953 17.955 2.967 1.00 1.00 H new ATOM 1686 N PRO A 120 97.076 19.231 2.082 1.00 1.00 N ATOM 1687 CA PRO A 120 98.470 19.741 1.916 1.00 1.00 C ATOM 1688 C PRO A 120 99.478 19.036 2.831 1.00 1.00 C ATOM 1689 O PRO A 120 99.159 18.664 3.957 1.00 1.00 O ATOM 1690 CB PRO A 120 98.362 21.228 2.271 1.00 1.00 C ATOM 1691 CG PRO A 120 97.147 21.323 3.134 1.00 1.00 C ATOM 1692 CD PRO A 120 96.178 20.274 2.623 1.00 1.00 C ATOM 0 HA PRO A 120 98.842 19.560 0.907 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.251 21.575 2.798 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.262 21.843 1.376 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.398 21.144 4.180 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.707 22.319 3.078 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.544 19.887 3.421 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.516 20.675 1.856 1.00 1.00 H new ATOM 1700 N ASN A 121 100.699 18.887 2.334 1.00 1.00 N ATOM 1701 CA ASN A 121 101.778 18.266 3.101 1.00 1.00 C ATOM 1702 C ASN A 121 101.324 16.979 3.784 1.00 1.00 C ATOM 1703 O ASN A 121 101.551 16.795 4.979 1.00 1.00 O ATOM 1704 CB ASN A 121 102.304 19.246 4.160 1.00 1.00 C ATOM 1705 CG ASN A 121 103.732 18.880 4.561 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.643 19.695 4.422 1.00 1.00 O ATOM 1707 ND2 ASN A 121 103.980 17.699 5.057 1.00 1.00 N ATOM 0 H ASN A 121 100.971 19.189 1.398 1.00 1.00 H new ATOM 0 HA ASN A 121 102.573 18.014 2.399 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.279 20.263 3.768 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.657 19.226 5.037 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.931 17.450 5.330 1.00 1.00 H new ATOM 0 HD22 ASN A 121 103.223 17.025 5.171 1.00 1.00 H new ATOM 1714 N GLU A 122 100.695 16.091 3.030 1.00 1.00 N ATOM 1715 CA GLU A 122 100.225 14.825 3.585 1.00 1.00 C ATOM 1716 C GLU A 122 101.245 13.713 3.408 1.00 1.00 C ATOM 1717 O GLU A 122 101.740 13.474 2.307 1.00 1.00 O ATOM 1718 CB GLU A 122 98.937 14.388 2.880 1.00 1.00 C ATOM 1719 CG GLU A 122 97.725 15.116 3.440 1.00 1.00 C ATOM 1720 CD GLU A 122 97.457 14.645 4.867 1.00 1.00 C ATOM 1721 OE1 GLU A 122 97.910 13.564 5.204 1.00 1.00 O ATOM 1722 OE2 GLU A 122 96.781 15.352 5.589 1.00 1.00 O ATOM 0 H GLU A 122 100.498 16.219 2.038 1.00 1.00 H new ATOM 0 HA GLU A 122 100.055 14.992 4.649 1.00 1.00 H new ATOM 0 HB2 GLU A 122 99.020 14.585 1.811 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.803 13.312 2.996 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.897 16.192 3.428 1.00 1.00 H new ATOM 0 HG3 GLU A 122 96.853 14.926 2.814 1.00 1.00 H new ATOM 1729 N THR A 123 101.484 12.985 4.489 1.00 1.00 N ATOM 1730 CA THR A 123 102.359 11.827 4.440 1.00 1.00 C ATOM 1731 C THR A 123 101.457 10.621 4.262 1.00 1.00 C ATOM 1732 O THR A 123 100.502 10.443 5.017 1.00 1.00 O ATOM 1733 CB THR A 123 103.168 11.696 5.732 1.00 1.00 C ATOM 1734 OG1 THR A 123 104.025 12.821 5.867 1.00 1.00 O ATOM 1735 CG2 THR A 123 104.009 10.421 5.684 1.00 1.00 C ATOM 0 H THR A 123 101.085 13.176 5.408 1.00 1.00 H new ATOM 0 HA THR A 123 103.076 11.917 3.624 1.00 1.00 H new ATOM 0 HB THR A 123 102.488 11.649 6.582 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.423 12.823 6.763 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.584 10.330 6.605 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.354 9.557 5.578 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.690 10.466 4.834 1.00 1.00 H new ATOM 1743 N LEU A 124 101.745 9.797 3.263 1.00 1.00 N ATOM 1744 CA LEU A 124 100.923 8.612 3.000 1.00 1.00 C ATOM 1745 C LEU A 124 101.719 7.335 3.253 1.00 1.00 C ATOM 1746 O LEU A 124 102.908 7.247 2.948 1.00 1.00 O ATOM 1747 CB LEU A 124 100.433 8.595 1.538 1.00 1.00 C ATOM 1748 CG LEU A 124 99.530 9.810 1.177 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.583 10.174 2.310 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.376 11.033 0.843 1.00 1.00 C ATOM 0 H LEU A 124 102.531 9.920 2.625 1.00 1.00 H new ATOM 0 HA LEU A 124 100.068 8.656 3.674 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.296 8.583 0.873 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.879 7.674 1.358 1.00 1.00 H new ATOM 0 HG LEU A 124 98.943 9.511 0.309 1.00 1.00 H new ATOM 0 HD11 LEU A 124 97.972 11.027 2.014 1.00 1.00 H new ATOM 0 HD12 LEU A 124 97.937 9.324 2.531 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.160 10.432 3.198 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.723 11.870 0.594 1.00 1.00 H new ATOM 0 HD22 LEU A 124 100.991 11.296 1.704 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.020 10.809 -0.008 1.00 1.00 H new ATOM 1762 N ILE A 125 101.025 6.335 3.789 1.00 1.00 N ATOM 1763 CA ILE A 125 101.605 5.032 4.074 1.00 1.00 C ATOM 1764 C ILE A 125 100.862 3.992 3.274 1.00 1.00 C ATOM 1765 O ILE A 125 99.653 4.102 3.085 1.00 1.00 O ATOM 1766 CB ILE A 125 101.447 4.699 5.569 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.611 3.175 5.804 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.049 5.122 6.024 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.612 2.841 7.284 1.00 1.00 C ATOM 0 H ILE A 125 100.039 6.409 4.038 1.00 1.00 H new ATOM 0 HA ILE A 125 102.663 5.043 3.814 1.00 1.00 H new ATOM 0 HB ILE A 125 102.212 5.230 6.135 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.801 2.640 5.309 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.542 2.833 5.352 1.00 1.00 H new ATOM 0 HG21 ILE A 125 99.925 4.891 7.082 1.00 1.00 H new ATOM 0 HG22 ILE A 125 99.925 6.194 5.870 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.299 4.583 5.445 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.729 1.765 7.414 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.438 3.357 7.773 1.00 1.00 H new ATOM 0 HD13 ILE A 125 100.670 3.160 7.730 1.00 1.00 H new ATOM 1776 N PHE A 126 101.573 2.959 2.844 1.00 1.00 N ATOM 1777 CA PHE A 126 100.932 1.883 2.110 1.00 1.00 C ATOM 1778 C PHE A 126 101.441 0.524 2.562 1.00 1.00 C ATOM 1779 O PHE A 126 102.593 0.381 2.973 1.00 1.00 O ATOM 1780 CB PHE A 126 101.187 2.013 0.613 1.00 1.00 C ATOM 1781 CG PHE A 126 101.166 3.458 0.203 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.105 3.966 -0.554 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.227 4.291 0.567 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.110 5.308 -0.946 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.230 5.629 0.179 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.173 6.137 -0.577 1.00 1.00 C ATOM 0 H PHE A 126 102.576 2.845 2.988 1.00 1.00 H new ATOM 0 HA PHE A 126 99.864 1.960 2.313 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.151 1.571 0.362 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.429 1.460 0.059 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.284 3.323 -0.835 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.046 3.897 1.150 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.294 5.703 -1.533 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.050 6.272 0.463 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.176 7.174 -0.878 1.00 1.00 H new ATOM 1796 N LYS A 127 100.591 -0.489 2.420 1.00 1.00 N ATOM 1797 CA LYS A 127 100.980 -1.840 2.747 1.00 1.00 C ATOM 1798 C LYS A 127 101.304 -2.500 1.433 1.00 1.00 C ATOM 1799 O LYS A 127 100.490 -2.454 0.523 1.00 1.00 O ATOM 1800 CB LYS A 127 99.848 -2.609 3.469 1.00 1.00 C ATOM 1801 CG LYS A 127 98.741 -1.672 3.949 1.00 1.00 C ATOM 1802 CD LYS A 127 99.261 -0.722 5.045 1.00 1.00 C ATOM 1803 CE LYS A 127 98.084 0.009 5.697 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.538 0.639 6.969 1.00 1.00 N ATOM 0 H LYS A 127 99.634 -0.392 2.081 1.00 1.00 H new ATOM 0 HA LYS A 127 101.829 -1.841 3.430 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.426 -3.353 2.794 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.262 -3.149 4.321 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.361 -1.091 3.109 1.00 1.00 H new ATOM 0 HG3 LYS A 127 97.906 -2.257 4.335 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.812 -1.286 5.797 1.00 1.00 H new ATOM 0 HD3 LYS A 127 99.956 -0.001 4.615 1.00 1.00 H new ATOM 0 HE2 LYS A 127 97.694 0.769 5.020 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.271 -0.690 5.894 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 97.830 0.471 7.712 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 99.447 0.224 7.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 98.654 1.663 6.827 1.00 1.00 H new ATOM 1818 N ILE A 128 102.508 -3.044 1.289 1.00 1.00 N ATOM 1819 CA ILE A 128 102.884 -3.631 -0.003 1.00 1.00 C ATOM 1820 C ILE A 128 103.186 -5.116 0.102 1.00 1.00 C ATOM 1821 O ILE A 128 104.101 -5.544 0.806 1.00 1.00 O ATOM 1822 CB ILE A 128 104.084 -2.872 -0.586 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.929 -1.380 -0.223 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.068 -3.032 -2.110 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.055 -0.532 -0.828 1.00 1.00 C ATOM 0 H ILE A 128 103.220 -3.094 2.017 1.00 1.00 H new ATOM 0 HA ILE A 128 102.030 -3.533 -0.674 1.00 1.00 H new ATOM 0 HB ILE A 128 105.022 -3.259 -0.187 1.00 1.00 H new ATOM 0 HG12 ILE A 128 102.966 -1.016 -0.581 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.930 -1.267 0.861 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.915 -2.498 -2.541 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.137 -4.089 -2.366 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.140 -2.622 -2.509 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.913 0.513 -0.551 1.00 1.00 H new ATOM 0 HD12 ILE A 128 106.016 -0.880 -0.449 1.00 1.00 H new ATOM 0 HD13 ILE A 128 105.037 -0.625 -1.914 1.00 1.00 H new ATOM 1832 N HIS A 129 102.389 -5.886 -0.635 1.00 1.00 N ATOM 1833 CA HIS A 129 102.522 -7.338 -0.691 1.00 1.00 C ATOM 1834 C HIS A 129 103.018 -7.727 -2.071 1.00 1.00 C ATOM 1835 O HIS A 129 102.402 -7.372 -3.069 1.00 1.00 O ATOM 1836 CB HIS A 129 101.167 -7.991 -0.426 1.00 1.00 C ATOM 1837 CG HIS A 129 101.272 -9.471 -0.664 1.00 1.00 C ATOM 1838 ND1 HIS A 129 102.298 -10.371 -0.464 1.00 1.00 N flip ATOM 1839 CD2 HIS A 129 100.239 -10.191 -1.236 1.00 1.00 C flip ATOM 1840 CE1 HIS A 129 101.897 -11.627 -0.921 1.00 1.00 C flip ATOM 1841 NE2 HIS A 129 100.653 -11.457 -1.369 1.00 1.00 N flip ATOM 0 H HIS A 129 101.631 -5.519 -1.211 1.00 1.00 H new ATOM 0 HA HIS A 129 103.229 -7.676 0.067 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.852 -7.798 0.599 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.409 -7.559 -1.079 1.00 1.00 H new ATOM 0 HD2 HIS A 129 99.273 -9.802 -1.523 1.00 1.00 H new ATOM 0 HE1 HIS A 129 102.472 -12.541 -0.913 1.00 1.00 H new ATOM 0 HE2 HIS A 129 100.083 -12.204 -1.767 1.00 1.00 H new ATOM 1849 N LEU A 130 104.150 -8.425 -2.140 1.00 1.00 N ATOM 1850 CA LEU A 130 104.711 -8.797 -3.438 1.00 1.00 C ATOM 1851 C LEU A 130 104.279 -10.199 -3.880 1.00 1.00 C ATOM 1852 O LEU A 130 104.682 -11.199 -3.286 1.00 1.00 O ATOM 1853 CB LEU A 130 106.245 -8.719 -3.370 1.00 1.00 C ATOM 1854 CG LEU A 130 106.801 -7.976 -4.593 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.325 -7.872 -4.492 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.435 -8.722 -5.883 1.00 1.00 C ATOM 0 H LEU A 130 104.687 -8.739 -1.332 1.00 1.00 H new ATOM 0 HA LEU A 130 104.329 -8.095 -4.179 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.549 -8.207 -2.457 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.664 -9.724 -3.326 1.00 1.00 H new ATOM 0 HG LEU A 130 106.364 -6.978 -4.617 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.712 -7.344 -5.363 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.593 -7.326 -3.588 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.756 -8.872 -4.453 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.836 -8.183 -6.741 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.858 -9.726 -5.855 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.350 -8.787 -5.970 1.00 1.00 H new ATOM 1868 N ILE A 131 103.466 -10.255 -4.937 1.00 1.00 N ATOM 1869 CA ILE A 131 102.991 -11.521 -5.477 1.00 1.00 C ATOM 1870 C ILE A 131 103.864 -11.994 -6.645 1.00 1.00 C ATOM 1871 O ILE A 131 104.227 -13.169 -6.711 1.00 1.00 O ATOM 1872 CB ILE A 131 101.534 -11.361 -5.923 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.634 -11.118 -4.696 1.00 1.00 C ATOM 1874 CG2 ILE A 131 101.076 -12.641 -6.605 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.593 -9.648 -4.314 1.00 1.00 C ATOM 0 H ILE A 131 103.124 -9.433 -5.434 1.00 1.00 H new ATOM 0 HA ILE A 131 103.054 -12.281 -4.698 1.00 1.00 H new ATOM 0 HB ILE A 131 101.463 -10.516 -6.608 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.624 -11.467 -4.910 1.00 1.00 H new ATOM 0 HG13 ILE A 131 101.001 -11.703 -3.853 1.00 1.00 H new ATOM 0 HG21 ILE A 131 100.040 -12.532 -6.924 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.705 -12.835 -7.474 1.00 1.00 H new ATOM 0 HG23 ILE A 131 101.155 -13.474 -5.906 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.949 -9.516 -3.445 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.600 -9.306 -4.075 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.201 -9.066 -5.148 1.00 1.00 H new ATOM 1882 N SER A 132 104.200 -11.085 -7.567 1.00 1.00 N ATOM 1883 CA SER A 132 105.035 -11.454 -8.722 1.00 1.00 C ATOM 1884 C SER A 132 105.852 -10.256 -9.202 1.00 1.00 C ATOM 1885 O SER A 132 105.521 -9.108 -8.907 1.00 1.00 O ATOM 1886 CB SER A 132 104.153 -11.969 -9.865 1.00 1.00 C ATOM 1887 OG SER A 132 103.740 -10.873 -10.668 1.00 1.00 O ATOM 0 H SER A 132 103.915 -10.106 -7.541 1.00 1.00 H new ATOM 0 HA SER A 132 105.720 -12.242 -8.411 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.704 -12.690 -10.469 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.283 -12.489 -9.463 1.00 1.00 H new ATOM 0 HG SER A 132 103.177 -11.198 -11.401 1.00 1.00 H new ATOM 1893 N VAL A 133 106.956 -10.536 -9.909 1.00 1.00 N ATOM 1894 CA VAL A 133 107.860 -9.486 -10.395 1.00 1.00 C ATOM 1895 C VAL A 133 108.142 -9.637 -11.887 1.00 1.00 C ATOM 1896 O VAL A 133 108.307 -10.748 -12.393 1.00 1.00 O ATOM 1897 CB VAL A 133 109.168 -9.568 -9.625 1.00 1.00 C ATOM 1898 CG1 VAL A 133 110.124 -8.477 -10.114 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.853 -9.357 -8.153 1.00 1.00 C ATOM 0 H VAL A 133 107.244 -11.483 -10.157 1.00 1.00 H new ATOM 0 HA VAL A 133 107.381 -8.519 -10.239 1.00 1.00 H new ATOM 0 HB VAL A 133 109.643 -10.537 -9.777 1.00 1.00 H new ATOM 0 HG11 VAL A 133 111.061 -8.539 -9.560 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.321 -8.616 -11.177 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.672 -7.498 -9.954 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.774 -9.410 -7.573 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.394 -8.378 -8.016 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.165 -10.131 -7.814 1.00 1.00 H new ATOM 1903 N LYS A 134 108.199 -8.511 -12.590 1.00 1.00 N ATOM 1904 CA LYS A 134 108.462 -8.510 -14.020 1.00 1.00 C ATOM 1905 C LYS A 134 109.942 -8.234 -14.312 1.00 1.00 C ATOM 1906 O LYS A 134 110.828 -8.510 -13.503 1.00 1.00 O ATOM 1907 CB LYS A 134 107.641 -7.399 -14.660 1.00 1.00 C ATOM 1908 CG LYS A 134 107.277 -7.748 -16.117 1.00 1.00 C ATOM 1909 CD LYS A 134 105.912 -8.427 -16.145 1.00 1.00 C ATOM 1910 CE LYS A 134 105.611 -8.925 -17.558 1.00 1.00 C ATOM 1911 NZ LYS A 134 104.148 -9.183 -17.685 1.00 1.00 N ATOM 0 H LYS A 134 108.065 -7.583 -12.188 1.00 1.00 H new ATOM 0 HA LYS A 134 108.198 -9.489 -14.421 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.731 -7.237 -14.083 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.204 -6.466 -14.636 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.259 -6.844 -16.726 1.00 1.00 H new ATOM 0 HG3 LYS A 134 108.033 -8.406 -16.545 1.00 1.00 H new ATOM 0 HD2 LYS A 134 105.896 -9.262 -15.444 1.00 1.00 H new ATOM 0 HD3 LYS A 134 105.141 -7.727 -15.824 1.00 1.00 H new ATOM 0 HE2 LYS A 134 105.927 -8.184 -18.293 1.00 1.00 H new ATOM 0 HE3 LYS A 134 106.172 -9.837 -17.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 103.937 -9.522 -18.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 103.861 -9.904 -16.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 103.623 -8.303 -17.506 1.00 1.00 H new