USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=36 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 145:sc= 0.247 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.497 USER MOD Set 2.1: A 98 THR OG1 : rot 180:sc= -0.0925 USER MOD Set 2.2: A 129 HIS : no HD1:sc= -3.32! C(o=-3.4!,f=-3.5!) USER MOD Set 3.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 GLN : amide:sc= -0.131 X(o=-0.13,f=0.27) USER MOD Set 4.1: A 55 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 133:sc= 1.51 USER MOD Set 5.1: A 47 LYS NZ :NH3+ -147:sc= -6.79! (180deg=-6.7!) USER MOD Set 5.2: A 91 GLN : amide:sc= -0.781 K(o=-7.6,f=-10) USER MOD Single : A 8 ASN : amide:sc= -5! C(o=-5!,f=-8.3!) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00129 (180deg=-0.151) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0641 (180deg=-0.513) USER MOD Single : A 17 THR OG1 : rot 106:sc= 0.762 USER MOD Single : A 19 ASN : amide:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.19) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 33 GLN : amide:sc= -4.21! C(o=-4.2!,f=-5.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.133 (180deg=-0.715) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.628 F(o=-2.5,f=-0.63) USER MOD Single : A 39 SER OG : rot 11:sc= 0.807! USER MOD Single : A 41 ASN :FLIP amide:sc= -0.737 F(o=-4.3!,f=-0.74) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -2.94! (180deg=-3.04!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 56 THR OG1 : rot 160:sc= -1.16 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00286 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 17:sc= 0.483 USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= -0.687 (180deg=-1.51!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0272 F(o=-1.8!,f=-0.027) USER MOD Single : A 87 THR OG1 : rot 57:sc= -0.107 USER MOD Single : A 93 MET CE :methyl -144:sc= -1.62 (180deg=-4.74!) USER MOD Single : A 97 SER OG : rot -102:sc= 0.708 USER MOD Single : A 102 TYR OH : rot -45:sc= 0.154 USER MOD Single : A 105 SER OG : rot 180:sc= -0.012 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 135:sc= -5.57! USER MOD Single : A 121 ASN : amide:sc= -0.925! X(o=-0.93!,f=-1.3) USER MOD Single : A 123 THR OG1 : rot 160:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 171:sc= -8.1! (180deg=-8.37!) USER MOD Single : A 134 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.035) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.890 21.126 9.997 1.00 1.00 N ATOM 104 CA GLU A 7 98.285 20.006 10.717 1.00 1.00 C ATOM 105 C GLU A 7 98.809 18.685 10.180 1.00 1.00 C ATOM 106 O GLU A 7 99.306 17.845 10.916 1.00 1.00 O ATOM 107 CB GLU A 7 96.775 20.040 10.555 1.00 1.00 C ATOM 108 CG GLU A 7 96.267 21.464 10.733 1.00 1.00 C ATOM 109 CD GLU A 7 94.743 21.482 10.719 1.00 1.00 C ATOM 110 OE1 GLU A 7 94.158 20.413 10.668 1.00 1.00 O ATOM 111 OE2 GLU A 7 94.183 22.566 10.759 1.00 1.00 O ATOM 0 HA GLU A 7 98.546 20.096 11.772 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.498 19.666 9.569 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.307 19.383 11.288 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.635 21.875 11.673 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.653 22.099 9.935 1.00 1.00 H new ATOM 118 N ASN A 8 98.710 18.531 8.882 1.00 1.00 N ATOM 119 CA ASN A 8 99.186 17.321 8.228 1.00 1.00 C ATOM 120 C ASN A 8 100.656 17.158 8.545 1.00 1.00 C ATOM 121 O ASN A 8 101.165 16.051 8.723 1.00 1.00 O ATOM 122 CB ASN A 8 98.975 17.462 6.730 1.00 1.00 C ATOM 123 CG ASN A 8 97.515 17.789 6.455 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.699 17.818 7.375 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.139 18.034 5.239 1.00 1.00 N ATOM 0 H ASN A 8 98.306 19.224 8.252 1.00 1.00 H new ATOM 0 HA ASN A 8 98.642 16.444 8.579 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.616 18.249 6.334 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.254 16.538 6.224 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.162 18.252 5.041 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.820 18.009 4.480 1.00 1.00 H new ATOM 132 N LYS A 9 101.315 18.292 8.628 1.00 1.00 N ATOM 133 CA LYS A 9 102.733 18.348 8.946 1.00 1.00 C ATOM 134 C LYS A 9 103.015 17.848 10.367 1.00 1.00 C ATOM 135 O LYS A 9 103.883 17.009 10.568 1.00 1.00 O ATOM 136 CB LYS A 9 103.177 19.816 8.776 1.00 1.00 C ATOM 137 CG LYS A 9 104.278 20.216 9.761 1.00 1.00 C ATOM 138 CD LYS A 9 104.807 21.610 9.422 1.00 1.00 C ATOM 139 CE LYS A 9 105.953 21.954 10.374 1.00 1.00 C ATOM 140 NZ LYS A 9 105.401 22.225 11.731 1.00 1.00 N ATOM 0 H LYS A 9 100.886 19.205 8.478 1.00 1.00 H new ATOM 0 HA LYS A 9 103.294 17.694 8.279 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.533 19.968 7.757 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.316 20.470 8.914 1.00 1.00 H new ATOM 0 HG2 LYS A 9 103.888 20.204 10.779 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.091 19.491 9.723 1.00 1.00 H new ATOM 0 HD2 LYS A 9 105.154 21.640 8.389 1.00 1.00 H new ATOM 0 HD3 LYS A 9 104.009 22.347 9.512 1.00 1.00 H new ATOM 0 HE2 LYS A 9 106.666 21.130 10.416 1.00 1.00 H new ATOM 0 HE3 LYS A 9 106.495 22.826 10.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 106.133 22.669 12.321 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 104.585 22.865 11.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 105.099 21.331 12.168 1.00 1.00 H new ATOM 154 N VAL A 10 102.301 18.373 11.348 1.00 1.00 N ATOM 155 CA VAL A 10 102.544 17.964 12.724 1.00 1.00 C ATOM 156 C VAL A 10 102.146 16.516 12.954 1.00 1.00 C ATOM 157 O VAL A 10 102.913 15.741 13.526 1.00 1.00 O ATOM 158 CB VAL A 10 101.814 18.901 13.695 1.00 1.00 C ATOM 159 CG1 VAL A 10 101.867 18.328 15.101 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.479 20.287 13.663 1.00 1.00 C ATOM 0 H VAL A 10 101.564 19.068 11.225 1.00 1.00 H new ATOM 0 HA VAL A 10 103.615 18.037 12.914 1.00 1.00 H new ATOM 0 HB VAL A 10 100.771 18.997 13.394 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.347 18.997 15.787 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.386 17.350 15.114 1.00 1.00 H new ATOM 0 HG13 VAL A 10 102.906 18.225 15.413 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.962 20.955 14.352 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.524 20.196 13.961 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.423 20.694 12.653 1.00 1.00 H new ATOM 164 N LYS A 11 100.974 16.140 12.487 1.00 1.00 N ATOM 165 CA LYS A 11 100.534 14.775 12.640 1.00 1.00 C ATOM 166 C LYS A 11 101.494 13.899 11.861 1.00 1.00 C ATOM 167 O LYS A 11 101.842 12.798 12.282 1.00 1.00 O ATOM 168 CB LYS A 11 99.103 14.607 12.134 1.00 1.00 C ATOM 169 CG LYS A 11 98.088 15.180 13.152 1.00 1.00 C ATOM 170 CD LYS A 11 97.981 16.701 12.996 1.00 1.00 C ATOM 171 CE LYS A 11 97.199 17.304 14.158 1.00 1.00 C ATOM 172 NZ LYS A 11 95.958 16.518 14.401 1.00 1.00 N ATOM 0 H LYS A 11 100.318 16.754 12.004 1.00 1.00 H new ATOM 0 HA LYS A 11 100.532 14.490 13.692 1.00 1.00 H new ATOM 0 HB2 LYS A 11 98.990 15.114 11.176 1.00 1.00 H new ATOM 0 HB3 LYS A 11 98.895 13.551 11.962 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.111 14.722 12.999 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.401 14.933 14.166 1.00 1.00 H new ATOM 0 HD2 LYS A 11 98.978 17.139 12.955 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.488 16.942 12.054 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.816 17.312 15.057 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.945 18.341 13.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.293 17.085 14.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.519 16.273 13.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.194 15.647 14.917 1.00 1.00 H new ATOM 186 N GLY A 12 101.927 14.425 10.722 1.00 1.00 N ATOM 187 CA GLY A 12 102.867 13.720 9.861 1.00 1.00 C ATOM 188 C GLY A 12 104.278 13.692 10.447 1.00 1.00 C ATOM 189 O GLY A 12 104.956 12.669 10.394 1.00 1.00 O ATOM 0 H GLY A 12 101.641 15.340 10.373 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.519 12.699 9.706 1.00 1.00 H new ATOM 0 HA3 GLY A 12 102.891 14.200 8.883 1.00 1.00 H new ATOM 193 N GLU A 13 104.720 14.808 11.018 1.00 1.00 N ATOM 194 CA GLU A 13 106.054 14.845 11.615 1.00 1.00 C ATOM 195 C GLU A 13 106.102 13.853 12.761 1.00 1.00 C ATOM 196 O GLU A 13 107.137 13.252 13.041 1.00 1.00 O ATOM 197 CB GLU A 13 106.388 16.255 12.133 1.00 1.00 C ATOM 198 CG GLU A 13 106.842 17.151 10.981 1.00 1.00 C ATOM 199 CD GLU A 13 107.048 18.575 11.484 1.00 1.00 C ATOM 200 OE1 GLU A 13 106.200 19.047 12.223 1.00 1.00 O ATOM 201 OE2 GLU A 13 108.050 19.171 11.127 1.00 1.00 O ATOM 0 H GLU A 13 104.192 15.678 11.081 1.00 1.00 H new ATOM 0 HA GLU A 13 106.791 14.582 10.856 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.513 16.689 12.617 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.172 16.196 12.887 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.769 16.769 10.555 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.097 17.141 10.185 1.00 1.00 H new ATOM 208 N ALA A 14 104.959 13.683 13.404 1.00 1.00 N ATOM 209 CA ALA A 14 104.834 12.761 14.508 1.00 1.00 C ATOM 210 C ALA A 14 104.782 11.339 13.977 1.00 1.00 C ATOM 211 O ALA A 14 105.309 10.402 14.579 1.00 1.00 O ATOM 212 CB ALA A 14 103.551 13.053 15.285 1.00 1.00 C ATOM 0 H ALA A 14 104.099 14.180 13.173 1.00 1.00 H new ATOM 0 HA ALA A 14 105.693 12.877 15.169 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.462 12.354 16.117 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.583 14.072 15.669 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.692 12.941 14.624 1.00 1.00 H new ATOM 218 N PHE A 15 104.115 11.208 12.841 1.00 1.00 N ATOM 219 CA PHE A 15 103.934 9.928 12.183 1.00 1.00 C ATOM 220 C PHE A 15 105.275 9.322 11.804 1.00 1.00 C ATOM 221 O PHE A 15 105.561 8.176 12.150 1.00 1.00 O ATOM 222 CB PHE A 15 103.081 10.196 10.948 1.00 1.00 C ATOM 223 CG PHE A 15 102.629 8.932 10.289 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.338 8.436 9.202 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.467 8.294 10.730 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.893 7.294 8.550 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.025 7.141 10.082 1.00 1.00 C ATOM 228 CZ PHE A 15 101.740 6.644 8.990 1.00 1.00 C ATOM 0 H PHE A 15 103.683 11.991 12.349 1.00 1.00 H new ATOM 0 HA PHE A 15 103.446 9.210 12.843 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.210 10.788 11.231 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.653 10.791 10.236 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.233 8.938 8.865 1.00 1.00 H new ATOM 0 HD2 PHE A 15 100.914 8.692 11.568 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.440 6.909 7.702 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.134 6.635 10.423 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.399 5.753 8.484 1.00 1.00 H new ATOM 238 N LEU A 16 106.111 10.099 11.131 1.00 1.00 N ATOM 239 CA LEU A 16 107.432 9.599 10.767 1.00 1.00 C ATOM 240 C LEU A 16 108.276 9.444 12.012 1.00 1.00 C ATOM 241 O LEU A 16 109.056 8.501 12.136 1.00 1.00 O ATOM 242 CB LEU A 16 108.152 10.529 9.781 1.00 1.00 C ATOM 243 CG LEU A 16 107.506 10.454 8.380 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.345 11.457 8.248 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.570 10.757 7.327 1.00 1.00 C ATOM 0 H LEU A 16 105.908 11.053 10.832 1.00 1.00 H new ATOM 0 HA LEU A 16 107.293 8.635 10.277 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.114 11.554 10.149 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.204 10.252 9.716 1.00 1.00 H new ATOM 0 HG LEU A 16 107.103 9.452 8.233 1.00 1.00 H new ATOM 0 HD11 LEU A 16 105.910 11.381 7.251 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.583 11.232 8.994 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.719 12.469 8.405 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.124 10.707 6.334 1.00 1.00 H new ATOM 0 HD22 LEU A 16 108.973 11.756 7.494 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.374 10.025 7.401 1.00 1.00 H new ATOM 257 N THR A 17 108.120 10.378 12.932 1.00 1.00 N ATOM 258 CA THR A 17 108.888 10.321 14.157 1.00 1.00 C ATOM 259 C THR A 17 108.563 9.043 14.907 1.00 1.00 C ATOM 260 O THR A 17 109.449 8.372 15.433 1.00 1.00 O ATOM 261 CB THR A 17 108.603 11.530 15.044 1.00 1.00 C ATOM 262 OG1 THR A 17 108.988 12.716 14.367 1.00 1.00 O ATOM 263 CG2 THR A 17 109.405 11.403 16.328 1.00 1.00 C ATOM 0 H THR A 17 107.481 11.170 12.856 1.00 1.00 H new ATOM 0 HA THR A 17 109.946 10.333 13.897 1.00 1.00 H new ATOM 0 HB THR A 17 107.538 11.573 15.274 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.188 13.190 14.057 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.207 12.263 16.967 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.116 10.490 16.849 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.468 11.365 16.091 1.00 1.00 H new ATOM 271 N GLU A 18 107.278 8.720 14.968 1.00 1.00 N ATOM 272 CA GLU A 18 106.836 7.534 15.666 1.00 1.00 C ATOM 273 C GLU A 18 107.100 6.256 14.875 1.00 1.00 C ATOM 274 O GLU A 18 107.550 5.260 15.437 1.00 1.00 O ATOM 275 CB GLU A 18 105.351 7.641 15.999 1.00 1.00 C ATOM 276 CG GLU A 18 104.944 6.470 16.894 1.00 1.00 C ATOM 277 CD GLU A 18 103.504 6.644 17.365 1.00 1.00 C ATOM 278 OE1 GLU A 18 103.096 5.901 18.243 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.834 7.523 16.847 1.00 1.00 O ATOM 0 H GLU A 18 106.529 9.266 14.541 1.00 1.00 H new ATOM 0 HA GLU A 18 107.417 7.472 16.586 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.148 8.586 16.503 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.760 7.635 15.083 1.00 1.00 H new ATOM 0 HG2 GLU A 18 105.045 5.532 16.347 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.611 6.411 17.754 1.00 1.00 H new ATOM 286 N ASN A 19 106.776 6.267 13.580 1.00 1.00 N ATOM 287 CA ASN A 19 106.944 5.063 12.763 1.00 1.00 C ATOM 288 C ASN A 19 108.384 4.581 12.691 1.00 1.00 C ATOM 289 O ASN A 19 108.644 3.383 12.808 1.00 1.00 O ATOM 290 CB ASN A 19 106.450 5.314 11.346 1.00 1.00 C ATOM 291 CG ASN A 19 106.525 4.025 10.555 1.00 1.00 C ATOM 292 OD1 ASN A 19 105.967 3.009 10.967 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.188 4.002 9.442 1.00 1.00 N ATOM 0 H ASN A 19 106.404 7.076 13.083 1.00 1.00 H new ATOM 0 HA ASN A 19 106.355 4.286 13.251 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.425 5.683 11.366 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.056 6.083 10.868 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.249 3.138 8.903 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.649 4.847 9.105 1.00 1.00 H new ATOM 300 N LYS A 20 109.318 5.485 12.497 1.00 1.00 N ATOM 301 CA LYS A 20 110.713 5.064 12.417 1.00 1.00 C ATOM 302 C LYS A 20 111.106 4.374 13.716 1.00 1.00 C ATOM 303 O LYS A 20 111.926 3.457 13.727 1.00 1.00 O ATOM 304 CB LYS A 20 111.635 6.260 12.179 1.00 1.00 C ATOM 305 CG LYS A 20 111.524 7.224 13.361 1.00 1.00 C ATOM 306 CD LYS A 20 112.148 8.577 12.999 1.00 1.00 C ATOM 307 CE LYS A 20 113.666 8.452 12.859 1.00 1.00 C ATOM 308 NZ LYS A 20 114.275 9.807 12.972 1.00 1.00 N ATOM 0 H LYS A 20 109.154 6.486 12.394 1.00 1.00 H new ATOM 0 HA LYS A 20 110.819 4.376 11.578 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.665 5.923 12.065 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.361 6.767 11.254 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.477 7.359 13.633 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.028 6.804 14.231 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.721 8.942 12.065 1.00 1.00 H new ATOM 0 HD3 LYS A 20 111.908 9.311 13.768 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.063 7.795 13.633 1.00 1.00 H new ATOM 0 HE3 LYS A 20 113.920 8.004 11.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.308 9.732 12.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 113.902 10.419 12.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.041 10.217 13.899 1.00 1.00 H new ATOM 322 N ASN A 21 110.505 4.830 14.807 1.00 1.00 N ATOM 323 CA ASN A 21 110.777 4.268 16.125 1.00 1.00 C ATOM 324 C ASN A 21 110.052 2.945 16.334 1.00 1.00 C ATOM 325 O ASN A 21 110.511 2.093 17.093 1.00 1.00 O ATOM 326 CB ASN A 21 110.361 5.273 17.215 1.00 1.00 C ATOM 327 CG ASN A 21 111.481 6.279 17.481 1.00 1.00 C ATOM 328 OD1 ASN A 21 112.509 5.920 18.055 1.00 1.00 O ATOM 329 ND2 ASN A 21 111.343 7.520 17.099 1.00 1.00 N ATOM 0 H ASN A 21 109.824 5.589 14.806 1.00 1.00 H new ATOM 0 HA ASN A 21 111.847 4.074 16.192 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.459 5.800 16.905 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.119 4.740 18.134 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.088 8.194 17.276 1.00 1.00 H new ATOM 0 HD22 ASN A 21 110.490 7.815 16.623 1.00 1.00 H new ATOM 336 N LYS A 22 108.904 2.789 15.695 1.00 1.00 N ATOM 337 CA LYS A 22 108.124 1.576 15.868 1.00 1.00 C ATOM 338 C LYS A 22 108.915 0.326 15.423 1.00 1.00 C ATOM 339 O LYS A 22 109.579 0.362 14.388 1.00 1.00 O ATOM 340 CB LYS A 22 106.814 1.692 15.085 1.00 1.00 C ATOM 341 CG LYS A 22 105.816 2.639 15.809 1.00 1.00 C ATOM 342 CD LYS A 22 104.379 2.135 15.645 1.00 1.00 C ATOM 343 CE LYS A 22 103.963 2.292 14.186 1.00 1.00 C ATOM 344 NZ LYS A 22 102.667 1.593 13.955 1.00 1.00 N ATOM 0 H LYS A 22 108.497 3.476 15.061 1.00 1.00 H new ATOM 0 HA LYS A 22 107.901 1.459 16.928 1.00 1.00 H new ATOM 0 HB2 LYS A 22 107.017 2.069 14.083 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.366 0.705 14.970 1.00 1.00 H new ATOM 0 HG2 LYS A 22 106.067 2.700 16.868 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.902 3.647 15.402 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.310 1.090 15.946 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.706 2.698 16.291 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.867 3.349 13.937 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.731 1.879 13.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.386 1.702 12.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 102.773 0.582 14.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 101.936 2.006 14.568 1.00 1.00 H new ATOM 358 N PRO A 23 108.864 -0.780 16.167 1.00 1.00 N ATOM 359 CA PRO A 23 109.604 -2.034 15.795 1.00 1.00 C ATOM 360 C PRO A 23 109.271 -2.553 14.394 1.00 1.00 C ATOM 361 O PRO A 23 108.163 -2.378 13.890 1.00 1.00 O ATOM 362 CB PRO A 23 109.186 -3.065 16.858 1.00 1.00 C ATOM 363 CG PRO A 23 108.726 -2.254 18.019 1.00 1.00 C ATOM 364 CD PRO A 23 108.126 -0.972 17.441 1.00 1.00 C ATOM 0 HA PRO A 23 110.677 -1.843 15.770 1.00 1.00 H new ATOM 0 HB2 PRO A 23 108.391 -3.713 16.489 1.00 1.00 H new ATOM 0 HB3 PRO A 23 110.021 -3.710 17.133 1.00 1.00 H new ATOM 0 HG2 PRO A 23 107.986 -2.799 18.604 1.00 1.00 H new ATOM 0 HG3 PRO A 23 109.557 -2.027 18.687 1.00 1.00 H new ATOM 0 HD2 PRO A 23 107.054 -1.073 17.271 1.00 1.00 H new ATOM 0 HD3 PRO A 23 108.264 -0.126 18.115 1.00 1.00 H new ATOM 372 N GLY A 24 110.263 -3.195 13.787 1.00 1.00 N ATOM 373 CA GLY A 24 110.124 -3.767 12.455 1.00 1.00 C ATOM 374 C GLY A 24 110.353 -2.722 11.380 1.00 1.00 C ATOM 375 O GLY A 24 110.625 -3.056 10.233 1.00 1.00 O ATOM 0 H GLY A 24 111.184 -3.333 14.204 1.00 1.00 H new ATOM 0 HA2 GLY A 24 110.837 -4.582 12.331 1.00 1.00 H new ATOM 0 HA3 GLY A 24 109.128 -4.195 12.343 1.00 1.00 H new ATOM 379 N VAL A 25 110.240 -1.458 11.759 1.00 1.00 N ATOM 380 CA VAL A 25 110.424 -0.369 10.808 1.00 1.00 C ATOM 381 C VAL A 25 111.894 0.026 10.716 1.00 1.00 C ATOM 382 O VAL A 25 112.566 0.208 11.728 1.00 1.00 O ATOM 383 CB VAL A 25 109.621 0.863 11.257 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.712 1.975 10.211 1.00 1.00 C ATOM 385 CG2 VAL A 25 108.153 0.501 11.482 1.00 1.00 C ATOM 0 H VAL A 25 110.024 -1.161 12.710 1.00 1.00 H new ATOM 0 HA VAL A 25 110.077 -0.714 9.834 1.00 1.00 H new ATOM 0 HB VAL A 25 110.050 1.215 12.195 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.137 2.838 10.547 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.755 2.263 10.076 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.309 1.617 9.264 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.604 1.388 11.799 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.725 0.122 10.554 1.00 1.00 H new ATOM 0 HG23 VAL A 25 108.081 -0.265 12.254 1.00 1.00 H new ATOM 389 N VAL A 26 112.362 0.206 9.488 1.00 1.00 N ATOM 390 CA VAL A 26 113.739 0.635 9.236 1.00 1.00 C ATOM 391 C VAL A 26 113.689 1.952 8.477 1.00 1.00 C ATOM 392 O VAL A 26 113.086 2.028 7.413 1.00 1.00 O ATOM 393 CB VAL A 26 114.474 -0.421 8.405 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.820 0.111 7.941 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.676 -1.673 9.241 1.00 1.00 C ATOM 0 H VAL A 26 111.808 0.062 8.644 1.00 1.00 H new ATOM 0 HA VAL A 26 114.273 0.761 10.178 1.00 1.00 H new ATOM 0 HB VAL A 26 113.874 -0.661 7.527 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.329 -0.652 7.352 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.668 1.001 7.330 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.429 0.366 8.808 1.00 1.00 H new ATOM 0 HG21 VAL A 26 115.199 -2.425 8.650 1.00 1.00 H new ATOM 0 HG22 VAL A 26 115.267 -1.430 10.124 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.707 -2.064 9.550 1.00 1.00 H new ATOM 399 N VAL A 27 114.299 2.998 9.040 1.00 1.00 N ATOM 400 CA VAL A 27 114.275 4.320 8.408 1.00 1.00 C ATOM 401 C VAL A 27 115.522 4.579 7.599 1.00 1.00 C ATOM 402 O VAL A 27 116.617 4.129 7.937 1.00 1.00 O ATOM 403 CB VAL A 27 114.065 5.419 9.467 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.131 5.301 10.527 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.106 6.828 8.853 1.00 1.00 C ATOM 0 H VAL A 27 114.810 2.957 9.922 1.00 1.00 H new ATOM 0 HA VAL A 27 113.434 4.340 7.715 1.00 1.00 H new ATOM 0 HB VAL A 27 113.076 5.277 9.903 1.00 1.00 H new ATOM 0 HG11 VAL A 27 114.985 6.078 11.278 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.066 4.321 11.001 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.113 5.419 10.070 1.00 1.00 H new ATOM 0 HG21 VAL A 27 113.953 7.571 9.636 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.075 6.991 8.382 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.318 6.922 8.105 1.00 1.00 H new ATOM 409 N LEU A 28 115.324 5.312 6.506 1.00 1.00 N ATOM 410 CA LEU A 28 116.419 5.649 5.601 1.00 1.00 C ATOM 411 C LEU A 28 116.714 7.147 5.644 1.00 1.00 C ATOM 412 O LEU A 28 115.886 7.926 6.118 1.00 1.00 O ATOM 413 CB LEU A 28 116.045 5.256 4.167 1.00 1.00 C ATOM 414 CG LEU A 28 115.745 3.759 4.070 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.192 3.460 2.673 1.00 1.00 C ATOM 416 CD2 LEU A 28 117.033 2.954 4.281 1.00 1.00 C ATOM 0 H LEU A 28 114.416 5.684 6.226 1.00 1.00 H new ATOM 0 HA LEU A 28 117.306 5.102 5.919 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.174 5.827 3.845 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.861 5.512 3.491 1.00 1.00 H new ATOM 0 HG LEU A 28 115.019 3.481 4.834 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.973 2.396 2.588 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.278 4.032 2.513 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.931 3.739 1.922 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.812 1.889 4.211 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.761 3.225 3.516 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.443 3.175 5.266 1.00 1.00 H new ATOM 428 N PRO A 29 117.862 7.577 5.155 1.00 1.00 N ATOM 429 CA PRO A 29 118.227 9.017 5.150 1.00 1.00 C ATOM 430 C PRO A 29 117.216 9.826 4.346 1.00 1.00 C ATOM 431 O PRO A 29 116.966 10.998 4.628 1.00 1.00 O ATOM 432 CB PRO A 29 119.627 9.059 4.521 1.00 1.00 C ATOM 433 CG PRO A 29 120.151 7.675 4.684 1.00 1.00 C ATOM 434 CD PRO A 29 118.941 6.772 4.554 1.00 1.00 C ATOM 0 HA PRO A 29 118.224 9.456 6.148 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.581 9.345 3.470 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.265 9.787 5.022 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.897 7.445 3.924 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.634 7.549 5.653 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.730 6.527 3.513 1.00 1.00 H new ATOM 0 HD3 PRO A 29 119.083 5.829 5.081 1.00 1.00 H new ATOM 442 N SER A 30 116.631 9.172 3.347 1.00 1.00 N ATOM 443 CA SER A 30 115.639 9.807 2.497 1.00 1.00 C ATOM 444 C SER A 30 114.386 10.091 3.307 1.00 1.00 C ATOM 445 O SER A 30 113.523 10.869 2.899 1.00 1.00 O ATOM 446 CB SER A 30 115.308 8.874 1.328 1.00 1.00 C ATOM 447 OG SER A 30 116.514 8.286 0.855 1.00 1.00 O ATOM 0 H SER A 30 116.830 8.200 3.109 1.00 1.00 H new ATOM 0 HA SER A 30 116.031 10.747 2.108 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.611 8.100 1.649 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.820 9.430 0.528 1.00 1.00 H new ATOM 0 HG SER A 30 116.314 7.685 0.107 1.00 1.00 H new ATOM 453 N GLY A 31 114.302 9.448 4.466 1.00 1.00 N ATOM 454 CA GLY A 31 113.162 9.612 5.355 1.00 1.00 C ATOM 455 C GLY A 31 112.140 8.527 5.085 1.00 1.00 C ATOM 456 O GLY A 31 111.131 8.421 5.782 1.00 1.00 O ATOM 0 H GLY A 31 115.015 8.805 4.812 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.490 9.565 6.394 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.712 10.593 5.207 1.00 1.00 H new ATOM 460 N LEU A 32 112.415 7.705 4.078 1.00 1.00 N ATOM 461 CA LEU A 32 111.512 6.619 3.740 1.00 1.00 C ATOM 462 C LEU A 32 111.716 5.497 4.739 1.00 1.00 C ATOM 463 O LEU A 32 112.849 5.124 5.040 1.00 1.00 O ATOM 464 CB LEU A 32 111.790 6.122 2.303 1.00 1.00 C ATOM 465 CG LEU A 32 110.813 5.009 1.823 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.225 3.635 2.330 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.381 5.303 2.261 1.00 1.00 C ATOM 0 H LEU A 32 113.246 7.771 3.490 1.00 1.00 H new ATOM 0 HA LEU A 32 110.479 6.965 3.782 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.728 6.967 1.618 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.811 5.744 2.251 1.00 1.00 H new ATOM 0 HG LEU A 32 110.860 5.004 0.734 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.517 2.888 1.972 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.222 3.395 1.962 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.231 3.636 3.420 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.723 4.508 1.911 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.337 5.358 3.349 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.059 6.254 1.837 1.00 1.00 H new ATOM 479 N GLN A 33 110.617 4.963 5.255 1.00 1.00 N ATOM 480 CA GLN A 33 110.670 3.883 6.229 1.00 1.00 C ATOM 481 C GLN A 33 109.903 2.674 5.736 1.00 1.00 C ATOM 482 O GLN A 33 108.819 2.810 5.177 1.00 1.00 O ATOM 483 CB GLN A 33 110.039 4.365 7.534 1.00 1.00 C ATOM 484 CG GLN A 33 110.855 5.519 8.129 1.00 1.00 C ATOM 485 CD GLN A 33 110.257 6.870 7.786 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.423 6.981 6.888 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.650 7.911 8.454 1.00 1.00 N ATOM 0 H GLN A 33 109.673 5.263 5.013 1.00 1.00 H new ATOM 0 HA GLN A 33 111.712 3.601 6.382 1.00 1.00 H new ATOM 0 HB2 GLN A 33 109.015 4.692 7.351 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.989 3.542 8.247 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.904 5.408 9.212 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.878 5.470 7.757 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.342 7.809 9.197 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.267 8.831 8.236 1.00 1.00 H new ATOM 496 N TYR A 34 110.459 1.483 5.965 1.00 1.00 N ATOM 497 CA TYR A 34 109.793 0.252 5.557 1.00 1.00 C ATOM 498 C TYR A 34 109.849 -0.772 6.660 1.00 1.00 C ATOM 499 O TYR A 34 110.816 -0.854 7.416 1.00 1.00 O ATOM 500 CB TYR A 34 110.419 -0.325 4.292 1.00 1.00 C ATOM 501 CG TYR A 34 111.861 -0.650 4.556 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.185 -1.846 5.191 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.871 0.237 4.169 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.524 -2.166 5.445 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.208 -0.078 4.422 1.00 1.00 C ATOM 506 CZ TYR A 34 114.536 -1.280 5.060 1.00 1.00 C ATOM 507 OH TYR A 34 115.858 -1.591 5.310 1.00 1.00 O ATOM 0 H TYR A 34 111.359 1.348 6.426 1.00 1.00 H new ATOM 0 HA TYR A 34 108.752 0.498 5.347 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.883 -1.222 3.984 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.339 0.391 3.474 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.402 -2.528 5.488 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.617 1.164 3.676 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.775 -3.094 5.937 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.989 0.606 4.125 1.00 1.00 H new ATOM 0 HH TYR A 34 116.432 -0.869 4.978 1.00 1.00 H new ATOM 517 N LYS A 35 108.784 -1.555 6.737 1.00 1.00 N ATOM 518 CA LYS A 35 108.663 -2.592 7.733 1.00 1.00 C ATOM 519 C LYS A 35 108.253 -3.874 7.061 1.00 1.00 C ATOM 520 O LYS A 35 107.366 -3.886 6.212 1.00 1.00 O ATOM 521 CB LYS A 35 107.628 -2.185 8.776 1.00 1.00 C ATOM 522 CG LYS A 35 107.547 -3.219 9.903 1.00 1.00 C ATOM 523 CD LYS A 35 106.339 -4.129 9.720 1.00 1.00 C ATOM 524 CE LYS A 35 106.227 -5.057 10.924 1.00 1.00 C ATOM 525 NZ LYS A 35 105.932 -4.256 12.146 1.00 1.00 N ATOM 0 H LYS A 35 107.984 -1.484 6.109 1.00 1.00 H new ATOM 0 HA LYS A 35 109.620 -2.739 8.233 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.888 -1.211 9.190 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.652 -2.081 8.303 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.458 -3.817 9.920 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.482 -2.710 10.865 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.432 -3.534 9.618 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.442 -4.712 8.805 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.438 -5.791 10.758 1.00 1.00 H new ATOM 0 HE3 LYS A 35 107.156 -5.612 11.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 105.466 -4.860 12.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 106.820 -3.884 12.540 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.304 -3.464 11.899 1.00 1.00 H new ATOM 539 N VAL A 36 108.924 -4.947 7.427 1.00 1.00 N ATOM 540 CA VAL A 36 108.641 -6.245 6.822 1.00 1.00 C ATOM 541 C VAL A 36 107.577 -7.007 7.604 1.00 1.00 C ATOM 542 O VAL A 36 107.817 -7.545 8.680 1.00 1.00 O ATOM 543 CB VAL A 36 109.937 -7.057 6.706 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.639 -7.137 8.057 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.616 -8.469 6.194 1.00 1.00 C ATOM 0 H VAL A 36 109.662 -4.954 8.131 1.00 1.00 H new ATOM 0 HA VAL A 36 108.241 -6.081 5.822 1.00 1.00 H new ATOM 0 HB VAL A 36 110.603 -6.560 6.001 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.557 -7.717 7.956 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.881 -6.132 8.401 1.00 1.00 H new ATOM 0 HG13 VAL A 36 109.982 -7.620 8.780 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.538 -9.045 6.112 1.00 1.00 H new ATOM 0 HG22 VAL A 36 108.940 -8.964 6.891 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.142 -8.402 5.215 1.00 1.00 H new ATOM 549 N ILE A 37 106.383 -7.050 7.043 1.00 1.00 N ATOM 550 CA ILE A 37 105.293 -7.757 7.681 1.00 1.00 C ATOM 551 C ILE A 37 105.569 -9.250 7.598 1.00 1.00 C ATOM 552 O ILE A 37 105.363 -9.996 8.554 1.00 1.00 O ATOM 553 CB ILE A 37 103.972 -7.447 6.976 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.847 -5.947 6.680 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.833 -7.884 7.876 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.776 -5.103 7.948 1.00 1.00 C ATOM 0 H ILE A 37 106.146 -6.608 6.155 1.00 1.00 H new ATOM 0 HA ILE A 37 105.216 -7.441 8.721 1.00 1.00 H new ATOM 0 HB ILE A 37 103.938 -7.983 6.027 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.700 -5.626 6.082 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.953 -5.772 6.081 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.882 -7.670 7.389 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.910 -8.954 8.067 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.887 -7.342 8.820 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.688 -4.050 7.680 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.908 -5.401 8.536 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.681 -5.253 8.536 1.00 1.00 H new ATOM 563 N ASN A 38 106.040 -9.667 6.424 1.00 1.00 N ATOM 564 CA ASN A 38 106.355 -11.063 6.161 1.00 1.00 C ATOM 565 C ASN A 38 107.610 -11.155 5.307 1.00 1.00 C ATOM 566 O ASN A 38 107.705 -10.510 4.268 1.00 1.00 O ATOM 567 CB ASN A 38 105.197 -11.722 5.419 1.00 1.00 C ATOM 568 CG ASN A 38 103.988 -11.853 6.338 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.264 -10.802 6.598 1.00 1.00 O flip ATOM 570 ND2 ASN A 38 103.697 -12.943 6.831 1.00 1.00 N flip ATOM 0 H ASN A 38 106.212 -9.046 5.633 1.00 1.00 H new ATOM 0 HA ASN A 38 106.520 -11.574 7.110 1.00 1.00 H new ATOM 0 HB2 ASN A 38 104.934 -11.130 4.542 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.499 -12.706 5.061 1.00 1.00 H new ATOM 0 HD21 ASN A 38 104.266 -13.764 6.625 1.00 1.00 H new ATOM 0 HD22 ASN A 38 102.887 -13.025 7.445 1.00 1.00 H new ATOM 577 N SER A 39 108.568 -11.960 5.742 1.00 1.00 N ATOM 578 CA SER A 39 109.808 -12.129 4.996 1.00 1.00 C ATOM 579 C SER A 39 109.655 -13.239 3.969 1.00 1.00 C ATOM 580 O SER A 39 109.326 -14.375 4.309 1.00 1.00 O ATOM 581 CB SER A 39 110.955 -12.466 5.935 1.00 1.00 C ATOM 582 OG SER A 39 110.796 -13.791 6.422 1.00 1.00 O ATOM 0 H SER A 39 108.512 -12.504 6.603 1.00 1.00 H new ATOM 0 HA SER A 39 110.029 -11.191 4.487 1.00 1.00 H new ATOM 0 HB2 SER A 39 111.907 -12.371 5.412 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.977 -11.762 6.767 1.00 1.00 H new ATOM 0 HG SER A 39 110.085 -14.241 5.919 1.00 1.00 H new ATOM 588 N GLY A 40 109.897 -12.897 2.709 1.00 1.00 N ATOM 589 CA GLY A 40 109.790 -13.849 1.614 1.00 1.00 C ATOM 590 C GLY A 40 111.165 -14.133 1.037 1.00 1.00 C ATOM 591 O GLY A 40 111.469 -15.257 0.640 1.00 1.00 O ATOM 0 H GLY A 40 110.171 -11.958 2.420 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.337 -14.775 1.969 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.136 -13.451 0.838 1.00 1.00 H new ATOM 595 N ASN A 41 111.992 -13.093 1.006 1.00 1.00 N ATOM 596 CA ASN A 41 113.344 -13.206 0.492 1.00 1.00 C ATOM 597 C ASN A 41 113.358 -13.706 -0.947 1.00 1.00 C ATOM 598 O ASN A 41 114.290 -14.395 -1.363 1.00 1.00 O ATOM 599 CB ASN A 41 114.139 -14.152 1.383 1.00 1.00 C ATOM 600 CG ASN A 41 114.044 -13.682 2.830 1.00 1.00 C ATOM 601 OD1 ASN A 41 113.372 -12.596 3.108 1.00 1.00 O flip ATOM 602 ND2 ASN A 41 114.586 -14.324 3.731 1.00 1.00 N flip ATOM 0 H ASN A 41 111.744 -12.160 1.334 1.00 1.00 H new ATOM 0 HA ASN A 41 113.800 -12.216 0.498 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.752 -15.167 1.292 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.181 -14.179 1.065 1.00 1.00 H new ATOM 0 HD21 ASN A 41 115.110 -15.171 3.510 1.00 1.00 H new ATOM 0 HD22 ASN A 41 114.511 -14.009 4.698 1.00 1.00 H new ATOM 609 N GLY A 42 112.329 -13.344 -1.712 1.00 1.00 N ATOM 610 CA GLY A 42 112.245 -13.749 -3.106 1.00 1.00 C ATOM 611 C GLY A 42 112.879 -12.723 -4.018 1.00 1.00 C ATOM 612 O GLY A 42 113.645 -11.859 -3.592 1.00 1.00 O ATOM 0 H GLY A 42 111.548 -12.774 -1.388 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.741 -14.711 -3.238 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.200 -13.889 -3.384 1.00 1.00 H new ATOM 616 N VAL A 43 112.515 -12.824 -5.277 1.00 1.00 N ATOM 617 CA VAL A 43 112.984 -11.917 -6.298 1.00 1.00 C ATOM 618 C VAL A 43 112.372 -10.545 -6.073 1.00 1.00 C ATOM 619 O VAL A 43 111.622 -10.353 -5.126 1.00 1.00 O ATOM 620 CB VAL A 43 112.644 -12.450 -7.693 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.296 -13.810 -7.877 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.136 -12.591 -7.880 1.00 1.00 C ATOM 0 H VAL A 43 111.880 -13.544 -5.623 1.00 1.00 H new ATOM 0 HA VAL A 43 114.069 -11.834 -6.234 1.00 1.00 H new ATOM 0 HB VAL A 43 113.017 -11.741 -8.432 1.00 1.00 H new ATOM 0 HG11 VAL A 43 113.058 -14.196 -8.868 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.377 -13.712 -7.775 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.921 -14.499 -7.120 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.927 -12.971 -8.880 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.741 -13.285 -7.138 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.661 -11.618 -7.756 1.00 1.00 H new ATOM 626 N LYS A 44 112.679 -9.618 -6.960 1.00 1.00 N ATOM 627 CA LYS A 44 112.154 -8.249 -6.873 1.00 1.00 C ATOM 628 C LYS A 44 112.730 -7.389 -8.009 1.00 1.00 C ATOM 629 O LYS A 44 113.759 -7.726 -8.599 1.00 1.00 O ATOM 630 CB LYS A 44 112.443 -7.597 -5.486 1.00 1.00 C ATOM 631 CG LYS A 44 113.930 -7.212 -5.284 1.00 1.00 C ATOM 632 CD LYS A 44 114.705 -8.362 -4.595 1.00 1.00 C ATOM 633 CE LYS A 44 114.645 -8.222 -3.067 1.00 1.00 C ATOM 634 NZ LYS A 44 114.973 -9.538 -2.459 1.00 1.00 N ATOM 0 H LYS A 44 113.293 -9.780 -7.758 1.00 1.00 H new ATOM 0 HA LYS A 44 111.071 -8.303 -6.980 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.827 -6.705 -5.377 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.144 -8.289 -4.698 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.386 -6.986 -6.248 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.998 -6.308 -4.679 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.282 -9.321 -4.894 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.744 -8.355 -4.925 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.350 -7.462 -2.728 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.652 -7.898 -2.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 115.087 -9.427 -1.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.204 -10.211 -2.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 115.859 -9.898 -2.868 1.00 1.00 H new ATOM 648 N PRO A 45 112.014 -6.347 -8.391 1.00 1.00 N ATOM 649 CA PRO A 45 112.368 -5.478 -9.561 1.00 1.00 C ATOM 650 C PRO A 45 113.306 -4.304 -9.295 1.00 1.00 C ATOM 651 O PRO A 45 113.332 -3.735 -8.214 1.00 1.00 O ATOM 652 CB PRO A 45 110.994 -4.966 -10.018 1.00 1.00 C ATOM 653 CG PRO A 45 110.116 -4.973 -8.802 1.00 1.00 C ATOM 654 CD PRO A 45 110.775 -5.857 -7.742 1.00 1.00 C ATOM 0 HA PRO A 45 112.939 -6.057 -10.287 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.072 -3.962 -10.435 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.581 -5.604 -10.799 1.00 1.00 H new ATOM 0 HG2 PRO A 45 109.983 -3.960 -8.423 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.125 -5.352 -9.051 1.00 1.00 H new ATOM 0 HD2 PRO A 45 110.997 -5.293 -6.836 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.125 -6.682 -7.452 1.00 1.00 H new ATOM 662 N GLY A 46 114.006 -3.906 -10.358 1.00 1.00 N ATOM 663 CA GLY A 46 114.881 -2.749 -10.319 1.00 1.00 C ATOM 664 C GLY A 46 114.075 -1.493 -10.582 1.00 1.00 C ATOM 665 O GLY A 46 112.880 -1.548 -10.858 1.00 1.00 O ATOM 0 H GLY A 46 113.978 -4.378 -11.262 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.370 -2.683 -9.347 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.669 -2.851 -11.066 1.00 1.00 H new ATOM 669 N LYS A 47 114.743 -0.367 -10.486 1.00 1.00 N ATOM 670 CA LYS A 47 114.098 0.913 -10.697 1.00 1.00 C ATOM 671 C LYS A 47 113.389 0.969 -12.038 1.00 1.00 C ATOM 672 O LYS A 47 112.494 1.787 -12.237 1.00 1.00 O ATOM 673 CB LYS A 47 115.129 2.059 -10.598 1.00 1.00 C ATOM 674 CG LYS A 47 116.097 2.088 -11.812 1.00 1.00 C ATOM 675 CD LYS A 47 117.538 1.711 -11.406 1.00 1.00 C ATOM 676 CE LYS A 47 117.618 0.266 -10.924 1.00 1.00 C ATOM 677 NZ LYS A 47 117.262 0.193 -9.475 1.00 1.00 N ATOM 0 H LYS A 47 115.737 -0.309 -10.262 1.00 1.00 H new ATOM 0 HA LYS A 47 113.349 1.035 -9.915 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.604 3.012 -10.532 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.705 1.948 -9.679 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.742 1.397 -12.576 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.093 3.083 -12.256 1.00 1.00 H new ATOM 0 HD2 LYS A 47 118.206 1.851 -12.256 1.00 1.00 H new ATOM 0 HD3 LYS A 47 117.882 2.379 -10.617 1.00 1.00 H new ATOM 0 HE2 LYS A 47 116.940 -0.359 -11.506 1.00 1.00 H new ATOM 0 HE3 LYS A 47 118.624 -0.124 -11.080 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 117.809 -0.566 -9.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 117.483 1.100 -9.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 116.246 -0.006 -9.377 1.00 1.00 H new ATOM 691 N SER A 48 113.817 0.116 -12.965 1.00 1.00 N ATOM 692 CA SER A 48 113.234 0.105 -14.313 1.00 1.00 C ATOM 693 C SER A 48 112.378 -1.134 -14.574 1.00 1.00 C ATOM 694 O SER A 48 111.718 -1.230 -15.609 1.00 1.00 O ATOM 695 CB SER A 48 114.359 0.156 -15.341 1.00 1.00 C ATOM 696 OG SER A 48 114.996 1.425 -15.280 1.00 1.00 O ATOM 0 H SER A 48 114.556 -0.571 -12.815 1.00 1.00 H new ATOM 0 HA SER A 48 112.584 0.976 -14.395 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.082 -0.636 -15.145 1.00 1.00 H new ATOM 0 HB3 SER A 48 113.961 -0.016 -16.341 1.00 1.00 H new ATOM 0 HG SER A 48 115.721 1.459 -15.939 1.00 1.00 H new ATOM 702 N ASP A 49 112.390 -2.079 -13.646 1.00 1.00 N ATOM 703 CA ASP A 49 111.610 -3.305 -13.810 1.00 1.00 C ATOM 704 C ASP A 49 110.171 -3.071 -13.386 1.00 1.00 C ATOM 705 O ASP A 49 109.861 -2.048 -12.775 1.00 1.00 O ATOM 706 CB ASP A 49 112.229 -4.393 -12.963 1.00 1.00 C ATOM 707 CG ASP A 49 113.570 -4.818 -13.551 1.00 1.00 C ATOM 708 OD1 ASP A 49 114.443 -5.174 -12.777 1.00 1.00 O ATOM 709 OD2 ASP A 49 113.704 -4.780 -14.763 1.00 1.00 O ATOM 0 H ASP A 49 112.924 -2.026 -12.779 1.00 1.00 H new ATOM 0 HA ASP A 49 111.615 -3.605 -14.858 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.368 -4.035 -11.943 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.558 -5.250 -12.912 1.00 1.00 H new ATOM 714 N THR A 50 109.291 -4.016 -13.711 1.00 1.00 N ATOM 715 CA THR A 50 107.876 -3.896 -13.353 1.00 1.00 C ATOM 716 C THR A 50 107.541 -4.865 -12.234 1.00 1.00 C ATOM 717 O THR A 50 108.158 -5.921 -12.103 1.00 1.00 O ATOM 718 CB THR A 50 106.996 -4.106 -14.592 1.00 1.00 C ATOM 719 OG1 THR A 50 107.555 -3.402 -15.690 1.00 1.00 O ATOM 720 CG2 THR A 50 105.580 -3.607 -14.334 1.00 1.00 C ATOM 0 H THR A 50 109.529 -4.868 -14.218 1.00 1.00 H new ATOM 0 HA THR A 50 107.674 -2.890 -12.984 1.00 1.00 H new ATOM 0 HB THR A 50 106.954 -5.172 -14.817 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.996 -3.536 -16.483 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.971 -3.764 -15.224 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.148 -4.155 -13.497 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.607 -2.544 -14.096 1.00 1.00 H new ATOM 728 N VAL A 51 106.600 -4.462 -11.384 1.00 1.00 N ATOM 729 CA VAL A 51 106.230 -5.265 -10.221 1.00 1.00 C ATOM 730 C VAL A 51 104.733 -5.512 -10.166 1.00 1.00 C ATOM 731 O VAL A 51 103.971 -4.805 -10.807 1.00 1.00 O ATOM 732 CB VAL A 51 106.690 -4.532 -8.952 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.798 -3.336 -8.627 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.725 -5.513 -7.784 1.00 1.00 C ATOM 0 H VAL A 51 106.082 -3.588 -11.478 1.00 1.00 H new ATOM 0 HA VAL A 51 106.717 -6.237 -10.296 1.00 1.00 H new ATOM 0 HB VAL A 51 107.692 -4.140 -9.129 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.160 -2.847 -7.722 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.822 -2.629 -9.456 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.775 -3.677 -8.470 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.051 -4.994 -6.883 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.728 -5.925 -7.625 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.420 -6.322 -8.009 1.00 1.00 H new ATOM 738 N THR A 52 104.322 -6.505 -9.367 1.00 1.00 N ATOM 739 CA THR A 52 102.898 -6.815 -9.189 1.00 1.00 C ATOM 740 C THR A 52 102.614 -6.893 -7.692 1.00 1.00 C ATOM 741 O THR A 52 103.245 -7.684 -6.989 1.00 1.00 O ATOM 742 CB THR A 52 102.570 -8.149 -9.854 1.00 1.00 C ATOM 743 OG1 THR A 52 102.856 -8.076 -11.243 1.00 1.00 O ATOM 744 CG2 THR A 52 101.096 -8.484 -9.657 1.00 1.00 C ATOM 0 H THR A 52 104.953 -7.105 -8.836 1.00 1.00 H new ATOM 0 HA THR A 52 102.282 -6.042 -9.648 1.00 1.00 H new ATOM 0 HB THR A 52 103.179 -8.929 -9.397 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.190 -8.943 -11.554 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.873 -9.438 -10.135 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.878 -8.553 -8.591 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.482 -7.702 -10.103 1.00 1.00 H new ATOM 752 N VAL A 53 101.709 -6.044 -7.185 1.00 1.00 N ATOM 753 CA VAL A 53 101.440 -6.020 -5.738 1.00 1.00 C ATOM 754 C VAL A 53 99.996 -5.652 -5.372 1.00 1.00 C ATOM 755 O VAL A 53 99.279 -5.047 -6.170 1.00 1.00 O ATOM 756 CB VAL A 53 102.366 -4.964 -5.097 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.800 -5.153 -5.595 1.00 1.00 C ATOM 758 CG2 VAL A 53 101.911 -3.518 -5.463 1.00 1.00 C ATOM 0 H VAL A 53 101.164 -5.381 -7.736 1.00 1.00 H new ATOM 0 HA VAL A 53 101.617 -7.031 -5.371 1.00 1.00 H new ATOM 0 HB VAL A 53 102.315 -5.097 -4.016 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.446 -4.404 -5.137 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.151 -6.149 -5.324 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.826 -5.042 -6.679 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.582 -2.796 -4.997 1.00 1.00 H new ATOM 0 HG22 VAL A 53 101.937 -3.391 -6.545 1.00 1.00 H new ATOM 0 HG23 VAL A 53 100.895 -3.354 -5.103 1.00 1.00 H new ATOM 762 N GLU A 54 99.631 -5.908 -4.104 1.00 1.00 N ATOM 763 CA GLU A 54 98.314 -5.484 -3.575 1.00 1.00 C ATOM 764 C GLU A 54 98.615 -4.520 -2.421 1.00 1.00 C ATOM 765 O GLU A 54 99.650 -4.669 -1.771 1.00 1.00 O ATOM 766 CB GLU A 54 97.446 -6.640 -3.022 1.00 1.00 C ATOM 767 CG GLU A 54 97.518 -7.914 -3.888 1.00 1.00 C ATOM 768 CD GLU A 54 97.328 -9.178 -3.041 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.154 -9.054 -1.839 1.00 1.00 O ATOM 770 OE2 GLU A 54 97.358 -10.256 -3.611 1.00 1.00 O ATOM 0 H GLU A 54 100.218 -6.400 -3.430 1.00 1.00 H new ATOM 0 HA GLU A 54 97.744 -5.044 -4.393 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.769 -6.877 -2.009 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.409 -6.310 -2.957 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.751 -7.874 -4.661 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.481 -7.956 -4.396 1.00 1.00 H new ATOM 777 N TYR A 55 97.772 -3.508 -2.160 1.00 1.00 N ATOM 778 CA TYR A 55 98.113 -2.580 -1.085 1.00 1.00 C ATOM 779 C TYR A 55 96.943 -1.753 -0.559 1.00 1.00 C ATOM 780 O TYR A 55 95.932 -1.571 -1.233 1.00 1.00 O ATOM 781 CB TYR A 55 99.148 -1.605 -1.638 1.00 1.00 C ATOM 782 CG TYR A 55 98.560 -0.985 -2.890 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.637 0.071 -2.795 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.896 -1.494 -4.142 1.00 1.00 C ATOM 785 CE1 TYR A 55 97.062 0.608 -3.951 1.00 1.00 C ATOM 786 CE2 TYR A 55 98.327 -0.951 -5.297 1.00 1.00 C ATOM 787 CZ TYR A 55 97.408 0.098 -5.204 1.00 1.00 C ATOM 788 OH TYR A 55 96.840 0.622 -6.346 1.00 1.00 O ATOM 0 H TYR A 55 96.898 -3.321 -2.651 1.00 1.00 H new ATOM 0 HA TYR A 55 98.469 -3.184 -0.250 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.383 -0.836 -0.902 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.080 -2.122 -1.867 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.371 0.469 -1.827 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.598 -2.311 -4.220 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.351 1.417 -3.875 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.599 -1.344 -6.266 1.00 1.00 H new ATOM 0 HH TYR A 55 96.627 1.568 -6.201 1.00 1.00 H new ATOM 798 N THR A 56 97.150 -1.177 0.640 1.00 1.00 N ATOM 799 CA THR A 56 96.171 -0.272 1.251 1.00 1.00 C ATOM 800 C THR A 56 96.862 1.035 1.602 1.00 1.00 C ATOM 801 O THR A 56 97.946 1.036 2.158 1.00 1.00 O ATOM 802 CB THR A 56 95.453 -0.883 2.475 1.00 1.00 C ATOM 803 OG1 THR A 56 94.391 -1.709 2.024 1.00 1.00 O ATOM 804 CG2 THR A 56 94.848 0.217 3.355 1.00 1.00 C ATOM 0 H THR A 56 97.989 -1.325 1.201 1.00 1.00 H new ATOM 0 HA THR A 56 95.381 -0.089 0.522 1.00 1.00 H new ATOM 0 HB THR A 56 96.182 -1.453 3.051 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.140 -2.336 2.734 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.347 -0.236 4.211 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.640 0.879 3.706 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.126 0.791 2.775 1.00 1.00 H new ATOM 812 N GLY A 57 96.239 2.152 1.246 1.00 1.00 N ATOM 813 CA GLY A 57 96.832 3.467 1.514 1.00 1.00 C ATOM 814 C GLY A 57 95.983 4.267 2.482 1.00 1.00 C ATOM 815 O GLY A 57 94.763 4.324 2.345 1.00 1.00 O ATOM 0 H GLY A 57 95.334 2.180 0.776 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.834 3.340 1.925 1.00 1.00 H new ATOM 0 HA3 GLY A 57 96.938 4.018 0.579 1.00 1.00 H new ATOM 819 N ARG A 58 96.634 4.893 3.469 1.00 1.00 N ATOM 820 CA ARG A 58 95.909 5.689 4.446 1.00 1.00 C ATOM 821 C ARG A 58 96.690 6.924 4.864 1.00 1.00 C ATOM 822 O ARG A 58 97.902 7.014 4.674 1.00 1.00 O ATOM 823 CB ARG A 58 95.548 4.844 5.683 1.00 1.00 C ATOM 824 CG ARG A 58 96.762 4.681 6.643 1.00 1.00 C ATOM 825 CD ARG A 58 96.304 4.153 8.019 1.00 1.00 C ATOM 826 NE ARG A 58 96.313 2.684 8.035 1.00 1.00 N ATOM 827 CZ ARG A 58 97.296 1.984 8.614 1.00 1.00 C ATOM 828 NH1 ARG A 58 98.289 2.593 9.210 1.00 1.00 N ATOM 829 NH2 ARG A 58 97.264 0.680 8.589 1.00 1.00 N ATOM 0 H ARG A 58 97.644 4.861 3.606 1.00 1.00 H new ATOM 0 HA ARG A 58 94.989 6.024 3.966 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.722 5.315 6.217 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.202 3.861 5.364 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.487 3.993 6.207 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.266 5.640 6.765 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.962 4.535 8.799 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.301 4.519 8.240 1.00 1.00 H new ATOM 0 HE ARG A 58 95.545 2.181 7.590 1.00 1.00 H new ATOM 0 HH11 ARG A 58 98.320 3.612 9.237 1.00 1.00 H new ATOM 0 HH12 ARG A 58 99.032 2.049 9.648 1.00 1.00 H new ATOM 0 HH21 ARG A 58 96.492 0.198 8.129 1.00 1.00 H new ATOM 0 HH22 ARG A 58 98.011 0.143 9.029 1.00 1.00 H new ATOM 843 N LEU A 59 95.970 7.853 5.473 1.00 1.00 N ATOM 844 CA LEU A 59 96.567 9.082 5.980 1.00 1.00 C ATOM 845 C LEU A 59 97.133 8.845 7.376 1.00 1.00 C ATOM 846 O LEU A 59 96.772 7.887 8.057 1.00 1.00 O ATOM 847 CB LEU A 59 95.492 10.184 6.056 1.00 1.00 C ATOM 848 CG LEU A 59 95.546 11.119 4.835 1.00 1.00 C ATOM 849 CD1 LEU A 59 94.917 10.443 3.625 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.785 12.419 5.118 1.00 1.00 C ATOM 0 H LEU A 59 94.965 7.780 5.630 1.00 1.00 H new ATOM 0 HA LEU A 59 97.368 9.391 5.308 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.505 9.726 6.120 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.632 10.767 6.967 1.00 1.00 H new ATOM 0 HG LEU A 59 96.593 11.345 4.632 1.00 1.00 H new ATOM 0 HD11 LEU A 59 94.962 11.115 2.768 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.461 9.527 3.396 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.877 10.202 3.843 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.834 13.067 4.243 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.743 12.189 5.341 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.236 12.926 5.971 1.00 1.00 H new ATOM 862 N ILE A 60 98.000 9.748 7.794 1.00 1.00 N ATOM 863 CA ILE A 60 98.597 9.666 9.120 1.00 1.00 C ATOM 864 C ILE A 60 97.520 9.659 10.184 1.00 1.00 C ATOM 865 O ILE A 60 97.714 9.181 11.302 1.00 1.00 O ATOM 866 CB ILE A 60 99.519 10.868 9.378 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.747 12.201 9.596 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.481 11.037 8.215 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.012 12.650 8.340 1.00 1.00 C ATOM 0 H ILE A 60 98.308 10.546 7.238 1.00 1.00 H new ATOM 0 HA ILE A 60 99.174 8.742 9.164 1.00 1.00 H new ATOM 0 HB ILE A 60 100.057 10.652 10.301 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.032 12.076 10.409 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.447 12.978 9.903 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.132 11.890 8.403 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.085 10.136 8.109 1.00 1.00 H new ATOM 0 HG23 ILE A 60 99.917 11.206 7.298 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.488 13.584 8.540 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.729 12.802 7.533 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.292 11.886 8.047 1.00 1.00 H new ATOM 876 N ASP A 61 96.397 10.241 9.821 1.00 1.00 N ATOM 877 CA ASP A 61 95.259 10.376 10.720 1.00 1.00 C ATOM 878 C ASP A 61 94.278 9.222 10.560 1.00 1.00 C ATOM 879 O ASP A 61 93.240 9.186 11.219 1.00 1.00 O ATOM 880 CB ASP A 61 94.564 11.705 10.441 1.00 1.00 C ATOM 881 CG ASP A 61 93.595 12.034 11.572 1.00 1.00 C ATOM 882 OD1 ASP A 61 92.503 12.493 11.276 1.00 1.00 O ATOM 883 OD2 ASP A 61 93.958 11.821 12.717 1.00 1.00 O ATOM 0 H ASP A 61 96.242 10.636 8.894 1.00 1.00 H new ATOM 0 HA ASP A 61 95.621 10.352 11.748 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.305 12.499 10.343 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.026 11.652 9.494 1.00 1.00 H new ATOM 888 N GLY A 62 94.621 8.265 9.703 1.00 1.00 N ATOM 889 CA GLY A 62 93.766 7.099 9.493 1.00 1.00 C ATOM 890 C GLY A 62 92.777 7.289 8.348 1.00 1.00 C ATOM 891 O GLY A 62 92.084 6.344 7.970 1.00 1.00 O ATOM 0 H GLY A 62 95.476 8.272 9.147 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.390 6.229 9.287 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.216 6.887 10.410 1.00 1.00 H new ATOM 895 N THR A 63 92.713 8.487 7.775 1.00 1.00 N ATOM 896 CA THR A 63 91.792 8.705 6.661 1.00 1.00 C ATOM 897 C THR A 63 92.227 7.850 5.481 1.00 1.00 C ATOM 898 O THR A 63 93.213 8.160 4.815 1.00 1.00 O ATOM 899 CB THR A 63 91.767 10.179 6.244 1.00 1.00 C ATOM 900 OG1 THR A 63 91.758 11.001 7.400 1.00 1.00 O ATOM 901 CG2 THR A 63 90.522 10.448 5.406 1.00 1.00 C ATOM 0 H THR A 63 93.267 9.298 8.050 1.00 1.00 H new ATOM 0 HA THR A 63 90.788 8.425 6.980 1.00 1.00 H new ATOM 0 HB THR A 63 92.654 10.406 5.653 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.744 11.943 7.131 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.503 11.497 5.109 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.539 9.819 4.516 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.632 10.221 5.993 1.00 1.00 H new ATOM 909 N VAL A 64 91.496 6.768 5.229 1.00 1.00 N ATOM 910 CA VAL A 64 91.844 5.891 4.123 1.00 1.00 C ATOM 911 C VAL A 64 91.474 6.538 2.814 1.00 1.00 C ATOM 912 O VAL A 64 90.304 6.815 2.547 1.00 1.00 O ATOM 913 CB VAL A 64 91.175 4.523 4.279 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.484 3.625 3.078 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.716 3.859 5.533 1.00 1.00 C ATOM 0 H VAL A 64 90.676 6.484 5.765 1.00 1.00 H new ATOM 0 HA VAL A 64 92.922 5.728 4.130 1.00 1.00 H new ATOM 0 HB VAL A 64 90.096 4.664 4.345 1.00 1.00 H new ATOM 0 HG11 VAL A 64 90.998 2.659 3.212 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.113 4.095 2.167 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.562 3.481 2.999 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.248 2.882 5.658 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.795 3.736 5.443 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.493 4.482 6.399 1.00 1.00 H new ATOM 919 N PHE A 65 92.498 6.789 1.999 1.00 1.00 N ATOM 920 CA PHE A 65 92.294 7.431 0.704 1.00 1.00 C ATOM 921 C PHE A 65 92.374 6.441 -0.448 1.00 1.00 C ATOM 922 O PHE A 65 92.003 6.761 -1.576 1.00 1.00 O ATOM 923 CB PHE A 65 93.266 8.593 0.517 1.00 1.00 C ATOM 924 CG PHE A 65 94.700 8.151 0.317 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.419 7.627 1.392 1.00 1.00 C ATOM 926 CD2 PHE A 65 95.335 8.329 -0.920 1.00 1.00 C ATOM 927 CE1 PHE A 65 96.767 7.283 1.237 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.681 7.972 -1.071 1.00 1.00 C ATOM 929 CZ PHE A 65 97.390 7.457 0.007 1.00 1.00 C ATOM 0 H PHE A 65 93.469 6.559 2.211 1.00 1.00 H new ATOM 0 HA PHE A 65 91.281 7.833 0.695 1.00 1.00 H new ATOM 0 HB2 PHE A 65 92.953 9.184 -0.343 1.00 1.00 H new ATOM 0 HB3 PHE A 65 93.213 9.245 1.389 1.00 1.00 H new ATOM 0 HD1 PHE A 65 94.934 7.486 2.347 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.787 8.741 -1.755 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.322 6.883 2.072 1.00 1.00 H new ATOM 0 HE2 PHE A 65 97.168 8.097 -2.027 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.430 7.191 -0.111 1.00 1.00 H new ATOM 939 N ASP A 66 92.816 5.229 -0.163 1.00 1.00 N ATOM 940 CA ASP A 66 92.875 4.212 -1.210 1.00 1.00 C ATOM 941 C ASP A 66 93.128 2.829 -0.634 1.00 1.00 C ATOM 942 O ASP A 66 93.706 2.683 0.445 1.00 1.00 O ATOM 943 CB ASP A 66 93.960 4.565 -2.244 1.00 1.00 C ATOM 944 CG ASP A 66 93.497 4.193 -3.657 1.00 1.00 C ATOM 945 OD1 ASP A 66 93.127 5.095 -4.389 1.00 1.00 O ATOM 946 OD2 ASP A 66 93.518 3.018 -3.980 1.00 1.00 O ATOM 0 H ASP A 66 93.133 4.925 0.758 1.00 1.00 H new ATOM 0 HA ASP A 66 91.904 4.194 -1.706 1.00 1.00 H new ATOM 0 HB2 ASP A 66 94.182 5.631 -2.197 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.883 4.036 -2.006 1.00 1.00 H new ATOM 951 N SER A 67 92.705 1.807 -1.379 1.00 1.00 N ATOM 952 CA SER A 67 92.907 0.435 -0.946 1.00 1.00 C ATOM 953 C SER A 67 92.863 -0.543 -2.115 1.00 1.00 C ATOM 954 O SER A 67 92.255 -0.271 -3.149 1.00 1.00 O ATOM 955 CB SER A 67 91.875 0.053 0.108 1.00 1.00 C ATOM 956 OG SER A 67 90.602 -0.107 -0.506 1.00 1.00 O ATOM 0 H SER A 67 92.226 1.907 -2.274 1.00 1.00 H new ATOM 0 HA SER A 67 93.903 0.373 -0.507 1.00 1.00 H new ATOM 0 HB2 SER A 67 92.171 -0.873 0.602 1.00 1.00 H new ATOM 0 HB3 SER A 67 91.824 0.823 0.878 1.00 1.00 H new ATOM 0 HG SER A 67 89.940 -0.354 0.173 1.00 1.00 H new ATOM 962 N THR A 68 93.529 -1.687 -1.934 1.00 1.00 N ATOM 963 CA THR A 68 93.585 -2.722 -2.969 1.00 1.00 C ATOM 964 C THR A 68 93.794 -4.093 -2.337 1.00 1.00 C ATOM 965 O THR A 68 93.189 -5.080 -2.754 1.00 1.00 O ATOM 966 CB THR A 68 94.741 -2.440 -3.933 1.00 1.00 C ATOM 967 OG1 THR A 68 94.540 -1.177 -4.554 1.00 1.00 O ATOM 968 CG2 THR A 68 94.811 -3.531 -5.003 1.00 1.00 C ATOM 0 H THR A 68 94.037 -1.919 -1.080 1.00 1.00 H new ATOM 0 HA THR A 68 92.641 -2.712 -3.513 1.00 1.00 H new ATOM 0 HB THR A 68 95.677 -2.430 -3.375 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.371 -0.659 -4.518 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.636 -3.321 -5.683 1.00 1.00 H new ATOM 0 HG22 THR A 68 94.971 -4.498 -4.527 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.876 -3.552 -5.563 1.00 1.00 H new ATOM 976 N GLU A 69 94.654 -4.133 -1.329 1.00 1.00 N ATOM 977 CA GLU A 69 94.953 -5.373 -0.631 1.00 1.00 C ATOM 978 C GLU A 69 93.718 -5.912 0.050 1.00 1.00 C ATOM 979 O GLU A 69 93.595 -7.118 0.258 1.00 1.00 O ATOM 980 CB GLU A 69 96.094 -5.177 0.355 1.00 1.00 C ATOM 981 CG GLU A 69 95.781 -4.060 1.328 1.00 1.00 C ATOM 982 CD GLU A 69 94.853 -4.545 2.438 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.434 -3.722 3.234 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.590 -5.735 2.492 1.00 1.00 O ATOM 0 H GLU A 69 95.157 -3.319 -0.977 1.00 1.00 H new ATOM 0 HA GLU A 69 95.276 -6.112 -1.364 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.270 -6.103 0.902 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.012 -4.947 -0.186 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.706 -3.681 1.762 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.315 -3.230 0.797 1.00 1.00 H new ATOM 991 N LYS A 70 92.787 -5.025 0.387 1.00 1.00 N ATOM 992 CA LYS A 70 91.564 -5.464 1.028 1.00 1.00 C ATOM 993 C LYS A 70 90.957 -6.572 0.187 1.00 1.00 C ATOM 994 O LYS A 70 90.550 -7.617 0.696 1.00 1.00 O ATOM 995 CB LYS A 70 90.583 -4.304 1.137 1.00 1.00 C ATOM 996 CG LYS A 70 91.196 -3.204 1.992 1.00 1.00 C ATOM 997 CD LYS A 70 91.312 -3.650 3.456 1.00 1.00 C ATOM 998 CE LYS A 70 91.523 -2.421 4.334 1.00 1.00 C ATOM 999 NZ LYS A 70 91.652 -2.837 5.759 1.00 1.00 N ATOM 0 H LYS A 70 92.857 -4.020 0.229 1.00 1.00 H new ATOM 0 HA LYS A 70 91.781 -5.827 2.032 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.345 -3.919 0.145 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.647 -4.645 1.579 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.182 -2.946 1.607 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.583 -2.305 1.929 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.410 -4.180 3.761 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.144 -4.344 3.573 1.00 1.00 H new ATOM 0 HE2 LYS A 70 92.419 -1.887 4.019 1.00 1.00 H new ATOM 0 HE3 LYS A 70 90.685 -1.733 4.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 91.796 -1.996 6.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 90.785 -3.328 6.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 92.465 -3.477 5.862 1.00 1.00 H new ATOM 1013 N THR A 71 90.954 -6.339 -1.117 1.00 1.00 N ATOM 1014 CA THR A 71 90.456 -7.320 -2.066 1.00 1.00 C ATOM 1015 C THR A 71 91.527 -8.380 -2.302 1.00 1.00 C ATOM 1016 O THR A 71 91.226 -9.532 -2.618 1.00 1.00 O ATOM 1017 CB THR A 71 90.102 -6.641 -3.390 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.157 -5.768 -3.772 1.00 1.00 O ATOM 1019 CG2 THR A 71 88.805 -5.843 -3.239 1.00 1.00 C ATOM 0 H THR A 71 91.292 -5.476 -1.542 1.00 1.00 H new ATOM 0 HA THR A 71 89.559 -7.788 -1.661 1.00 1.00 H new ATOM 0 HB THR A 71 89.963 -7.403 -4.157 1.00 1.00 H new ATOM 0 HG1 THR A 71 91.968 -5.997 -3.272 1.00 1.00 H new ATOM 0 HG21 THR A 71 88.561 -5.363 -4.187 1.00 1.00 H new ATOM 0 HG22 THR A 71 87.996 -6.515 -2.953 1.00 1.00 H new ATOM 0 HG23 THR A 71 88.934 -5.082 -2.469 1.00 1.00 H new ATOM 1027 N GLY A 72 92.784 -7.970 -2.138 1.00 1.00 N ATOM 1028 CA GLY A 72 93.913 -8.868 -2.316 1.00 1.00 C ATOM 1029 C GLY A 72 94.261 -9.051 -3.785 1.00 1.00 C ATOM 1030 O GLY A 72 94.973 -9.985 -4.149 1.00 1.00 O ATOM 0 H GLY A 72 93.042 -7.017 -1.881 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.779 -8.474 -1.783 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.680 -9.837 -1.874 1.00 1.00 H new ATOM 1034 N LYS A 73 93.756 -8.161 -4.637 1.00 1.00 N ATOM 1035 CA LYS A 73 94.032 -8.265 -6.077 1.00 1.00 C ATOM 1036 C LYS A 73 95.247 -7.418 -6.455 1.00 1.00 C ATOM 1037 O LYS A 73 95.211 -6.196 -6.322 1.00 1.00 O ATOM 1038 CB LYS A 73 92.793 -7.803 -6.874 1.00 1.00 C ATOM 1039 CG LYS A 73 91.846 -8.982 -7.163 1.00 1.00 C ATOM 1040 CD LYS A 73 91.041 -9.358 -5.891 1.00 1.00 C ATOM 1041 CE LYS A 73 91.019 -10.874 -5.687 1.00 1.00 C ATOM 1042 NZ LYS A 73 92.418 -11.383 -5.619 1.00 1.00 N ATOM 0 H LYS A 73 93.165 -7.374 -4.368 1.00 1.00 H new ATOM 0 HA LYS A 73 94.252 -9.305 -6.320 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.261 -7.035 -6.312 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.110 -7.349 -7.813 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.161 -8.717 -7.969 1.00 1.00 H new ATOM 0 HG3 LYS A 73 92.421 -9.843 -7.504 1.00 1.00 H new ATOM 0 HD2 LYS A 73 91.484 -8.876 -5.020 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.021 -8.984 -5.978 1.00 1.00 H new ATOM 0 HE2 LYS A 73 90.485 -11.121 -4.769 1.00 1.00 H new ATOM 0 HE3 LYS A 73 90.484 -11.355 -6.506 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 92.464 -12.185 -4.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 92.720 -11.696 -6.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 93.048 -10.625 -5.288 1.00 1.00 H new ATOM 1056 N PRO A 74 96.340 -8.028 -6.901 1.00 1.00 N ATOM 1057 CA PRO A 74 97.566 -7.273 -7.259 1.00 1.00 C ATOM 1058 C PRO A 74 97.384 -6.266 -8.390 1.00 1.00 C ATOM 1059 O PRO A 74 96.555 -6.438 -9.283 1.00 1.00 O ATOM 1060 CB PRO A 74 98.582 -8.355 -7.653 1.00 1.00 C ATOM 1061 CG PRO A 74 98.063 -9.608 -7.060 1.00 1.00 C ATOM 1062 CD PRO A 74 96.564 -9.484 -7.101 1.00 1.00 C ATOM 0 HA PRO A 74 97.882 -6.657 -6.417 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.669 -8.438 -8.736 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.575 -8.120 -7.271 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.400 -10.478 -7.624 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.418 -9.734 -6.037 1.00 1.00 H new ATOM 0 HD2 PRO A 74 96.157 -9.827 -8.052 1.00 1.00 H new ATOM 0 HD3 PRO A 74 96.089 -10.076 -6.319 1.00 1.00 H new ATOM 1070 N ALA A 75 98.221 -5.237 -8.338 1.00 1.00 N ATOM 1071 CA ALA A 75 98.252 -4.180 -9.350 1.00 1.00 C ATOM 1072 C ALA A 75 99.677 -4.115 -9.893 1.00 1.00 C ATOM 1073 O ALA A 75 100.610 -4.484 -9.182 1.00 1.00 O ATOM 1074 CB ALA A 75 97.865 -2.833 -8.735 1.00 1.00 C ATOM 0 H ALA A 75 98.902 -5.109 -7.590 1.00 1.00 H new ATOM 0 HA ALA A 75 97.540 -4.397 -10.146 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.894 -2.060 -9.503 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.858 -2.897 -8.323 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.567 -2.581 -7.940 1.00 1.00 H new ATOM 1080 N THR A 76 99.861 -3.682 -11.144 1.00 1.00 N ATOM 1081 CA THR A 76 101.209 -3.631 -11.731 1.00 1.00 C ATOM 1082 C THR A 76 101.708 -2.210 -11.936 1.00 1.00 C ATOM 1083 O THR A 76 101.025 -1.364 -12.508 1.00 1.00 O ATOM 1084 CB THR A 76 101.224 -4.388 -13.060 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.437 -4.122 -13.750 1.00 1.00 O ATOM 1086 CG2 THR A 76 100.033 -3.959 -13.920 1.00 1.00 C ATOM 0 H THR A 76 99.112 -3.367 -11.761 1.00 1.00 H new ATOM 0 HA THR A 76 101.887 -4.106 -11.022 1.00 1.00 H new ATOM 0 HB THR A 76 101.151 -5.457 -12.861 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.444 -4.610 -14.600 1.00 1.00 H new ATOM 0 HG21 THR A 76 100.052 -4.503 -14.864 1.00 1.00 H new ATOM 0 HG22 THR A 76 99.105 -4.180 -13.392 1.00 1.00 H new ATOM 0 HG23 THR A 76 100.093 -2.889 -14.117 1.00 1.00 H new ATOM 1094 N PHE A 77 102.942 -1.976 -11.475 1.00 1.00 N ATOM 1095 CA PHE A 77 103.588 -0.679 -11.610 1.00 1.00 C ATOM 1096 C PHE A 77 105.010 -0.867 -12.032 1.00 1.00 C ATOM 1097 O PHE A 77 105.652 -1.861 -11.696 1.00 1.00 O ATOM 1098 CB PHE A 77 103.661 0.075 -10.284 1.00 1.00 C ATOM 1099 CG PHE A 77 102.315 0.152 -9.645 1.00 1.00 C ATOM 1100 CD1 PHE A 77 102.127 -0.375 -8.374 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.265 0.767 -10.319 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.885 -0.289 -7.761 1.00 1.00 C ATOM 1103 CE2 PHE A 77 100.012 0.856 -9.714 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.819 0.329 -8.429 1.00 1.00 C ATOM 0 H PHE A 77 103.511 -2.678 -11.003 1.00 1.00 H new ATOM 0 HA PHE A 77 102.996 -0.120 -12.335 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.359 -0.426 -9.613 1.00 1.00 H new ATOM 0 HB3 PHE A 77 104.047 1.080 -10.453 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.949 -0.853 -7.862 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.420 1.174 -11.307 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.740 -0.697 -6.772 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.192 1.330 -10.234 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.851 0.399 -7.955 1.00 1.00 H new ATOM 1114 N GLN A 78 105.528 0.148 -12.670 1.00 1.00 N ATOM 1115 CA GLN A 78 106.920 0.157 -13.029 1.00 1.00 C ATOM 1116 C GLN A 78 107.620 0.931 -11.940 1.00 1.00 C ATOM 1117 O GLN A 78 107.241 2.057 -11.618 1.00 1.00 O ATOM 1118 CB GLN A 78 107.138 0.788 -14.402 1.00 1.00 C ATOM 1119 CG GLN A 78 106.745 -0.204 -15.493 1.00 1.00 C ATOM 1120 CD GLN A 78 107.246 0.270 -16.845 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.924 1.372 -16.909 1.00 1.00 O flip ATOM 1122 NE2 GLN A 78 107.019 -0.384 -17.864 1.00 1.00 N flip ATOM 0 H GLN A 78 105.007 0.979 -12.952 1.00 1.00 H new ATOM 0 HA GLN A 78 107.317 -0.855 -13.109 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.544 1.698 -14.493 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.183 1.076 -14.519 1.00 1.00 H new ATOM 0 HG2 GLN A 78 107.161 -1.186 -15.268 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.661 -0.316 -15.519 1.00 1.00 H new ATOM 0 HE21 GLN A 78 106.484 -1.251 -17.805 1.00 1.00 H new ATOM 0 HE22 GLN A 78 107.366 -0.059 -18.766 1.00 1.00 H new ATOM 1131 N VAL A 79 108.603 0.302 -11.328 1.00 1.00 N ATOM 1132 CA VAL A 79 109.297 0.925 -10.226 1.00 1.00 C ATOM 1133 C VAL A 79 109.678 2.358 -10.580 1.00 1.00 C ATOM 1134 O VAL A 79 109.774 3.206 -9.706 1.00 1.00 O ATOM 1135 CB VAL A 79 110.552 0.124 -9.859 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.167 0.691 -8.596 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.194 -1.325 -9.586 1.00 1.00 C ATOM 0 H VAL A 79 108.935 -0.631 -11.574 1.00 1.00 H new ATOM 0 HA VAL A 79 108.628 0.941 -9.365 1.00 1.00 H new ATOM 0 HB VAL A 79 111.251 0.187 -10.693 1.00 1.00 H new ATOM 0 HG11 VAL A 79 112.059 0.120 -8.337 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.439 1.734 -8.760 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.447 0.628 -7.780 1.00 1.00 H new ATOM 0 HG21 VAL A 79 111.096 -1.880 -9.327 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.487 -1.375 -8.758 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.742 -1.762 -10.476 1.00 1.00 H new ATOM 1141 N SER A 80 109.896 2.616 -11.867 1.00 1.00 N ATOM 1142 CA SER A 80 110.281 3.947 -12.308 1.00 1.00 C ATOM 1143 C SER A 80 109.104 4.907 -12.312 1.00 1.00 C ATOM 1144 O SER A 80 109.284 6.124 -12.261 1.00 1.00 O ATOM 1145 CB SER A 80 110.857 3.870 -13.717 1.00 1.00 C ATOM 1146 OG SER A 80 110.877 5.168 -14.296 1.00 1.00 O ATOM 0 H SER A 80 109.813 1.926 -12.614 1.00 1.00 H new ATOM 0 HA SER A 80 111.026 4.323 -11.606 1.00 1.00 H new ATOM 0 HB2 SER A 80 111.866 3.459 -13.686 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.257 3.197 -14.330 1.00 1.00 H new ATOM 0 HG SER A 80 111.249 5.117 -15.201 1.00 1.00 H new ATOM 1152 N GLN A 81 107.901 4.357 -12.423 1.00 1.00 N ATOM 1153 CA GLN A 81 106.690 5.179 -12.494 1.00 1.00 C ATOM 1154 C GLN A 81 105.972 5.311 -11.160 1.00 1.00 C ATOM 1155 O GLN A 81 105.061 6.128 -11.037 1.00 1.00 O ATOM 1156 CB GLN A 81 105.711 4.547 -13.479 1.00 1.00 C ATOM 1157 CG GLN A 81 106.361 4.384 -14.850 1.00 1.00 C ATOM 1158 CD GLN A 81 106.865 5.718 -15.388 1.00 1.00 C ATOM 1159 OE1 GLN A 81 106.087 6.645 -15.594 1.00 1.00 O ATOM 1160 NE2 GLN A 81 108.140 5.864 -15.634 1.00 1.00 N ATOM 0 H GLN A 81 107.734 3.352 -12.466 1.00 1.00 H new ATOM 0 HA GLN A 81 107.011 6.172 -12.807 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.387 3.575 -13.106 1.00 1.00 H new ATOM 0 HB3 GLN A 81 104.820 5.169 -13.564 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.191 3.681 -14.780 1.00 1.00 H new ATOM 0 HG3 GLN A 81 105.640 3.957 -15.548 1.00 1.00 H new ATOM 0 HE21 GLN A 81 108.784 5.092 -15.462 1.00 1.00 H new ATOM 0 HE22 GLN A 81 108.491 6.750 -15.998 1.00 1.00 H new ATOM 1169 N VAL A 82 106.337 4.498 -10.177 1.00 1.00 N ATOM 1170 CA VAL A 82 105.641 4.543 -8.891 1.00 1.00 C ATOM 1171 C VAL A 82 106.195 5.640 -7.976 1.00 1.00 C ATOM 1172 O VAL A 82 107.215 6.254 -8.289 1.00 1.00 O ATOM 1173 CB VAL A 82 105.702 3.154 -8.277 1.00 1.00 C ATOM 1174 CG1 VAL A 82 107.058 2.920 -7.669 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.654 2.983 -7.225 1.00 1.00 C ATOM 0 H VAL A 82 107.091 3.814 -10.238 1.00 1.00 H new ATOM 0 HA VAL A 82 104.596 4.815 -9.036 1.00 1.00 H new ATOM 0 HB VAL A 82 105.522 2.428 -9.070 1.00 1.00 H new ATOM 0 HG11 VAL A 82 107.093 1.922 -7.231 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.823 3.005 -8.441 1.00 1.00 H new ATOM 0 HG13 VAL A 82 107.242 3.663 -6.893 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.722 1.980 -6.804 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.807 3.719 -6.436 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.668 3.125 -7.667 1.00 1.00 H new ATOM 1179 N ILE A 83 105.491 5.920 -6.869 1.00 1.00 N ATOM 1180 CA ILE A 83 105.916 6.994 -5.967 1.00 1.00 C ATOM 1181 C ILE A 83 107.383 6.767 -5.546 1.00 1.00 C ATOM 1182 O ILE A 83 107.822 5.620 -5.465 1.00 1.00 O ATOM 1183 CB ILE A 83 104.978 7.070 -4.716 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.882 6.005 -4.800 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.309 8.448 -4.626 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.933 6.101 -3.597 1.00 1.00 C ATOM 0 H ILE A 83 104.644 5.429 -6.583 1.00 1.00 H new ATOM 0 HA ILE A 83 105.845 7.947 -6.490 1.00 1.00 H new ATOM 0 HB ILE A 83 105.592 6.899 -3.832 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.318 6.130 -5.724 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.334 5.014 -4.834 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.661 8.481 -3.750 1.00 1.00 H new ATOM 0 HG22 ILE A 83 105.075 9.219 -4.541 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.716 8.624 -5.523 1.00 1.00 H new ATOM 0 HD11 ILE A 83 102.163 5.334 -3.679 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.497 5.952 -2.676 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.465 7.085 -3.581 1.00 1.00 H new ATOM 1193 N PRO A 84 108.160 7.814 -5.289 1.00 1.00 N ATOM 1194 CA PRO A 84 109.595 7.653 -4.891 1.00 1.00 C ATOM 1195 C PRO A 84 109.783 6.670 -3.750 1.00 1.00 C ATOM 1196 O PRO A 84 110.707 5.857 -3.761 1.00 1.00 O ATOM 1197 CB PRO A 84 110.006 9.053 -4.424 1.00 1.00 C ATOM 1198 CG PRO A 84 109.110 9.991 -5.152 1.00 1.00 C ATOM 1199 CD PRO A 84 107.788 9.249 -5.350 1.00 1.00 C ATOM 0 HA PRO A 84 110.187 7.262 -5.718 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.890 9.157 -3.345 1.00 1.00 H new ATOM 0 HB3 PRO A 84 111.053 9.252 -4.653 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.960 10.908 -4.582 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.543 10.278 -6.110 1.00 1.00 H new ATOM 0 HD2 PRO A 84 107.067 9.506 -4.574 1.00 1.00 H new ATOM 0 HD3 PRO A 84 107.330 9.501 -6.306 1.00 1.00 H new ATOM 1207 N GLY A 85 108.921 6.765 -2.758 1.00 1.00 N ATOM 1208 CA GLY A 85 109.044 5.877 -1.616 1.00 1.00 C ATOM 1209 C GLY A 85 108.977 4.438 -2.075 1.00 1.00 C ATOM 1210 O GLY A 85 109.809 3.604 -1.725 1.00 1.00 O ATOM 0 H GLY A 85 108.147 7.428 -2.716 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.987 6.060 -1.101 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.246 6.077 -0.901 1.00 1.00 H new ATOM 1214 N TRP A 86 107.972 4.183 -2.884 1.00 1.00 N ATOM 1215 CA TRP A 86 107.742 2.867 -3.452 1.00 1.00 C ATOM 1216 C TRP A 86 108.909 2.464 -4.357 1.00 1.00 C ATOM 1217 O TRP A 86 109.301 1.304 -4.403 1.00 1.00 O ATOM 1218 CB TRP A 86 106.448 2.923 -4.277 1.00 1.00 C ATOM 1219 CG TRP A 86 105.226 2.659 -3.448 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.761 3.413 -2.425 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.282 1.580 -3.605 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.601 2.845 -1.941 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.265 1.711 -2.642 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.218 0.508 -4.483 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.218 0.798 -2.561 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 103.175 -0.407 -4.409 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.173 -0.268 -3.449 1.00 1.00 C ATOM 0 H TRP A 86 107.287 4.883 -3.169 1.00 1.00 H new ATOM 0 HA TRP A 86 107.657 2.130 -2.653 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.361 3.904 -4.744 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.502 2.190 -5.082 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.223 4.314 -2.049 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.060 3.219 -1.161 1.00 1.00 H new ATOM 0 HE3 TRP A 86 104.986 0.383 -5.232 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.447 0.918 -1.814 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 103.140 -1.234 -5.102 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.367 -0.985 -3.397 1.00 1.00 H new ATOM 1238 N THR A 87 109.441 3.430 -5.094 1.00 1.00 N ATOM 1239 CA THR A 87 110.527 3.158 -6.020 1.00 1.00 C ATOM 1240 C THR A 87 111.666 2.400 -5.343 1.00 1.00 C ATOM 1241 O THR A 87 112.106 1.358 -5.830 1.00 1.00 O ATOM 1242 CB THR A 87 111.064 4.491 -6.552 1.00 1.00 C ATOM 1243 OG1 THR A 87 109.983 5.285 -7.015 1.00 1.00 O ATOM 1244 CG2 THR A 87 112.045 4.252 -7.697 1.00 1.00 C ATOM 0 H THR A 87 109.139 4.404 -5.068 1.00 1.00 H new ATOM 0 HA THR A 87 110.142 2.539 -6.830 1.00 1.00 H new ATOM 0 HB THR A 87 111.584 5.008 -5.745 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.335 5.410 -6.290 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.417 5.209 -8.063 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.881 3.650 -7.340 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.539 3.726 -8.506 1.00 1.00 H new ATOM 1252 N GLU A 88 112.152 2.939 -4.243 1.00 1.00 N ATOM 1253 CA GLU A 88 113.258 2.321 -3.522 1.00 1.00 C ATOM 1254 C GLU A 88 112.842 1.049 -2.785 1.00 1.00 C ATOM 1255 O GLU A 88 113.590 0.076 -2.757 1.00 1.00 O ATOM 1256 CB GLU A 88 113.858 3.331 -2.547 1.00 1.00 C ATOM 1257 CG GLU A 88 115.143 2.761 -1.945 1.00 1.00 C ATOM 1258 CD GLU A 88 115.805 3.803 -1.053 1.00 1.00 C ATOM 1259 OE1 GLU A 88 115.420 4.958 -1.140 1.00 1.00 O ATOM 1260 OE2 GLU A 88 116.690 3.434 -0.300 1.00 1.00 O ATOM 0 H GLU A 88 111.803 3.802 -3.826 1.00 1.00 H new ATOM 0 HA GLU A 88 114.006 2.024 -4.257 1.00 1.00 H new ATOM 0 HB2 GLU A 88 114.070 4.268 -3.063 1.00 1.00 H new ATOM 0 HB3 GLU A 88 113.143 3.557 -1.756 1.00 1.00 H new ATOM 0 HG2 GLU A 88 114.918 1.865 -1.367 1.00 1.00 H new ATOM 0 HG3 GLU A 88 115.827 2.463 -2.740 1.00 1.00 H new ATOM 1267 N ALA A 89 111.674 1.070 -2.154 1.00 1.00 N ATOM 1268 CA ALA A 89 111.211 -0.085 -1.381 1.00 1.00 C ATOM 1269 C ALA A 89 111.066 -1.371 -2.209 1.00 1.00 C ATOM 1270 O ALA A 89 111.512 -2.432 -1.777 1.00 1.00 O ATOM 1271 CB ALA A 89 109.862 0.229 -0.741 1.00 1.00 C ATOM 0 H ALA A 89 111.033 1.863 -2.159 1.00 1.00 H new ATOM 0 HA ALA A 89 111.980 -0.267 -0.630 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.522 -0.633 -0.167 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.965 1.088 -0.078 1.00 1.00 H new ATOM 0 HB3 ALA A 89 109.134 0.457 -1.520 1.00 1.00 H new ATOM 1277 N LEU A 90 110.414 -1.294 -3.366 1.00 1.00 N ATOM 1278 CA LEU A 90 110.190 -2.494 -4.180 1.00 1.00 C ATOM 1279 C LEU A 90 111.509 -3.164 -4.513 1.00 1.00 C ATOM 1280 O LEU A 90 111.616 -4.390 -4.520 1.00 1.00 O ATOM 1281 CB LEU A 90 109.511 -2.114 -5.492 1.00 1.00 C ATOM 1282 CG LEU A 90 108.163 -1.452 -5.214 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.712 -0.730 -6.477 1.00 1.00 C ATOM 1284 CD2 LEU A 90 107.121 -2.500 -4.820 1.00 1.00 C ATOM 0 H LEU A 90 110.036 -0.432 -3.759 1.00 1.00 H new ATOM 0 HA LEU A 90 109.561 -3.176 -3.608 1.00 1.00 H new ATOM 0 HB2 LEU A 90 110.149 -1.434 -6.057 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.368 -3.002 -6.107 1.00 1.00 H new ATOM 0 HG LEU A 90 108.267 -0.747 -4.389 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.750 -0.250 -6.298 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.450 0.026 -6.747 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.614 -1.448 -7.291 1.00 1.00 H new ATOM 0 HD21 LEU A 90 106.167 -2.010 -4.626 1.00 1.00 H new ATOM 0 HD22 LEU A 90 107.002 -3.217 -5.632 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.451 -3.021 -3.921 1.00 1.00 H new ATOM 1296 N GLN A 91 112.503 -2.350 -4.808 1.00 1.00 N ATOM 1297 CA GLN A 91 113.810 -2.858 -5.164 1.00 1.00 C ATOM 1298 C GLN A 91 114.425 -3.627 -4.002 1.00 1.00 C ATOM 1299 O GLN A 91 115.302 -4.465 -4.200 1.00 1.00 O ATOM 1300 CB GLN A 91 114.711 -1.695 -5.548 1.00 1.00 C ATOM 1301 CG GLN A 91 114.108 -0.972 -6.755 1.00 1.00 C ATOM 1302 CD GLN A 91 114.912 0.290 -7.047 1.00 1.00 C ATOM 1303 OE1 GLN A 91 116.142 0.266 -7.001 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.290 1.395 -7.355 1.00 1.00 N ATOM 0 H GLN A 91 112.429 -1.333 -4.808 1.00 1.00 H new ATOM 0 HA GLN A 91 113.706 -3.540 -6.008 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.814 -1.006 -4.710 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.711 -2.057 -5.787 1.00 1.00 H new ATOM 0 HG2 GLN A 91 114.113 -1.628 -7.625 1.00 1.00 H new ATOM 0 HG3 GLN A 91 113.068 -0.715 -6.556 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.271 1.413 -7.393 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.823 2.241 -7.558 1.00 1.00 H new ATOM 1313 N LEU A 92 113.968 -3.325 -2.785 1.00 1.00 N ATOM 1314 CA LEU A 92 114.488 -3.987 -1.585 1.00 1.00 C ATOM 1315 C LEU A 92 113.492 -4.998 -1.049 1.00 1.00 C ATOM 1316 O LEU A 92 113.817 -5.774 -0.162 1.00 1.00 O ATOM 1317 CB LEU A 92 114.747 -2.943 -0.500 1.00 1.00 C ATOM 1318 CG LEU A 92 115.615 -1.812 -1.051 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.736 -0.718 -0.008 1.00 1.00 C ATOM 1320 CD2 LEU A 92 117.002 -2.334 -1.408 1.00 1.00 C ATOM 0 H LEU A 92 113.243 -2.631 -2.604 1.00 1.00 H new ATOM 0 HA LEU A 92 115.411 -4.501 -1.853 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.800 -2.541 -0.138 1.00 1.00 H new ATOM 0 HB3 LEU A 92 115.242 -3.409 0.352 1.00 1.00 H new ATOM 0 HG LEU A 92 115.148 -1.413 -1.952 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.355 0.090 -0.398 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.745 -0.333 0.232 1.00 1.00 H new ATOM 0 HD13 LEU A 92 116.195 -1.124 0.893 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.609 -1.517 -1.799 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.477 -2.744 -0.517 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.914 -3.114 -2.164 1.00 1.00 H new ATOM 1332 N MET A 93 112.277 -4.951 -1.575 1.00 1.00 N ATOM 1333 CA MET A 93 111.204 -5.843 -1.135 1.00 1.00 C ATOM 1334 C MET A 93 111.234 -7.196 -1.886 1.00 1.00 C ATOM 1335 O MET A 93 110.861 -7.242 -3.059 1.00 1.00 O ATOM 1336 CB MET A 93 109.889 -5.116 -1.422 1.00 1.00 C ATOM 1337 CG MET A 93 108.735 -5.711 -0.612 1.00 1.00 C ATOM 1338 SD MET A 93 107.232 -4.699 -0.827 1.00 1.00 S ATOM 1339 CE MET A 93 107.878 -3.091 -0.285 1.00 1.00 C ATOM 0 H MET A 93 112.004 -4.301 -2.312 1.00 1.00 H new ATOM 0 HA MET A 93 111.320 -6.072 -0.076 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.996 -4.058 -1.183 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.660 -5.180 -2.486 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.543 -6.734 -0.935 1.00 1.00 H new ATOM 0 HG3 MET A 93 109.005 -5.755 0.443 1.00 1.00 H new ATOM 0 HE1 MET A 93 107.099 -2.548 0.251 1.00 1.00 H new ATOM 0 HE2 MET A 93 108.732 -3.246 0.374 1.00 1.00 H new ATOM 0 HE3 MET A 93 108.191 -2.513 -1.154 1.00 1.00 H new ATOM 1349 N PRO A 94 111.646 -8.298 -1.258 1.00 1.00 N ATOM 1350 CA PRO A 94 111.686 -9.642 -1.926 1.00 1.00 C ATOM 1351 C PRO A 94 110.300 -10.197 -2.231 1.00 1.00 C ATOM 1352 O PRO A 94 109.351 -9.990 -1.474 1.00 1.00 O ATOM 1353 CB PRO A 94 112.439 -10.541 -0.926 1.00 1.00 C ATOM 1354 CG PRO A 94 113.044 -9.618 0.076 1.00 1.00 C ATOM 1355 CD PRO A 94 112.122 -8.418 0.128 1.00 1.00 C ATOM 0 HA PRO A 94 112.173 -9.585 -2.899 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.760 -11.247 -0.447 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.207 -11.128 -1.430 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.122 -10.096 1.053 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.052 -9.326 -0.218 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.298 -8.573 0.824 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.648 -7.520 0.452 1.00 1.00 H new ATOM 1363 N ALA A 95 110.203 -10.914 -3.344 1.00 1.00 N ATOM 1364 CA ALA A 95 108.937 -11.504 -3.748 1.00 1.00 C ATOM 1365 C ALA A 95 108.455 -12.509 -2.731 1.00 1.00 C ATOM 1366 O ALA A 95 109.214 -13.354 -2.256 1.00 1.00 O ATOM 1367 CB ALA A 95 109.055 -12.154 -5.119 1.00 1.00 C ATOM 0 H ALA A 95 110.981 -11.099 -3.977 1.00 1.00 H new ATOM 0 HA ALA A 95 108.202 -10.701 -3.808 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.095 -12.588 -5.400 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.342 -11.402 -5.854 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.812 -12.937 -5.086 1.00 1.00 H new ATOM 1373 N GLY A 96 107.178 -12.391 -2.385 1.00 1.00 N ATOM 1374 CA GLY A 96 106.573 -13.268 -1.406 1.00 1.00 C ATOM 1375 C GLY A 96 106.578 -12.582 -0.053 1.00 1.00 C ATOM 1376 O GLY A 96 105.835 -12.961 0.852 1.00 1.00 O ATOM 0 H GLY A 96 106.545 -11.692 -2.773 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.552 -13.512 -1.700 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.123 -14.208 -1.353 1.00 1.00 H new ATOM 1380 N SER A 97 107.418 -11.552 0.070 1.00 1.00 N ATOM 1381 CA SER A 97 107.512 -10.796 1.307 1.00 1.00 C ATOM 1382 C SER A 97 106.510 -9.655 1.303 1.00 1.00 C ATOM 1383 O SER A 97 106.359 -8.951 0.304 1.00 1.00 O ATOM 1384 CB SER A 97 108.928 -10.232 1.459 1.00 1.00 C ATOM 1385 OG SER A 97 109.000 -8.980 0.790 1.00 1.00 O ATOM 0 H SER A 97 108.038 -11.228 -0.672 1.00 1.00 H new ATOM 0 HA SER A 97 107.291 -11.460 2.143 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.174 -10.110 2.514 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.657 -10.926 1.040 1.00 1.00 H new ATOM 0 HG SER A 97 109.449 -9.096 -0.074 1.00 1.00 H new ATOM 1391 N THR A 98 105.834 -9.470 2.432 1.00 1.00 N ATOM 1392 CA THR A 98 104.852 -8.399 2.566 1.00 1.00 C ATOM 1393 C THR A 98 105.400 -7.313 3.462 1.00 1.00 C ATOM 1394 O THR A 98 105.643 -7.536 4.645 1.00 1.00 O ATOM 1395 CB THR A 98 103.553 -8.933 3.158 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.069 -10.008 2.364 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.528 -7.809 3.177 1.00 1.00 C ATOM 0 H THR A 98 105.947 -10.046 3.266 1.00 1.00 H new ATOM 0 HA THR A 98 104.648 -7.992 1.576 1.00 1.00 H new ATOM 0 HB THR A 98 103.729 -9.294 4.171 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.235 -10.349 2.749 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.592 -8.177 3.598 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.902 -6.986 3.786 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.354 -7.458 2.160 1.00 1.00 H new ATOM 1405 N TRP A 99 105.637 -6.135 2.888 1.00 1.00 N ATOM 1406 CA TRP A 99 106.197 -5.018 3.646 1.00 1.00 C ATOM 1407 C TRP A 99 105.203 -3.865 3.730 1.00 1.00 C ATOM 1408 O TRP A 99 104.262 -3.764 2.945 1.00 1.00 O ATOM 1409 CB TRP A 99 107.460 -4.461 2.964 1.00 1.00 C ATOM 1410 CG TRP A 99 108.635 -5.397 3.022 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.619 -6.707 3.367 1.00 1.00 C ATOM 1412 CD2 TRP A 99 110.027 -5.084 2.719 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.897 -7.216 3.289 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.804 -6.255 2.890 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.678 -3.904 2.308 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.177 -6.255 2.664 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 112.063 -3.904 2.082 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.811 -5.077 2.259 1.00 1.00 C ATOM 0 H TRP A 99 105.451 -5.930 1.906 1.00 1.00 H new ATOM 0 HA TRP A 99 106.432 -5.405 4.638 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.233 -4.240 1.921 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.733 -3.518 3.437 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.741 -7.265 3.658 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.142 -8.183 3.500 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.109 -2.997 2.166 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.750 -7.160 2.801 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.556 -2.995 1.770 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.876 -5.070 2.082 1.00 1.00 H new ATOM 1429 N GLU A 100 105.495 -2.960 4.650 1.00 1.00 N ATOM 1430 CA GLU A 100 104.726 -1.734 4.835 1.00 1.00 C ATOM 1431 C GLU A 100 105.702 -0.590 4.770 1.00 1.00 C ATOM 1432 O GLU A 100 106.682 -0.588 5.515 1.00 1.00 O ATOM 1433 CB GLU A 100 104.020 -1.685 6.193 1.00 1.00 C ATOM 1434 CG GLU A 100 102.764 -2.544 6.161 1.00 1.00 C ATOM 1435 CD GLU A 100 102.140 -2.598 7.550 1.00 1.00 C ATOM 1436 OE1 GLU A 100 101.118 -3.248 7.697 1.00 1.00 O ATOM 1437 OE2 GLU A 100 102.700 -1.992 8.450 1.00 1.00 O ATOM 0 H GLU A 100 106.279 -3.054 5.296 1.00 1.00 H new ATOM 0 HA GLU A 100 103.957 -1.682 4.064 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.692 -2.039 6.974 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.760 -0.656 6.439 1.00 1.00 H new ATOM 0 HG2 GLU A 100 102.050 -2.134 5.447 1.00 1.00 H new ATOM 0 HG3 GLU A 100 103.009 -3.551 5.823 1.00 1.00 H new ATOM 1444 N ILE A 101 105.450 0.385 3.902 1.00 1.00 N ATOM 1445 CA ILE A 101 106.345 1.521 3.791 1.00 1.00 C ATOM 1446 C ILE A 101 105.587 2.792 4.070 1.00 1.00 C ATOM 1447 O ILE A 101 104.445 2.974 3.639 1.00 1.00 O ATOM 1448 CB ILE A 101 107.064 1.528 2.434 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.240 2.203 1.332 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.348 0.073 2.048 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.080 2.242 0.067 1.00 1.00 C ATOM 0 H ILE A 101 104.645 0.408 3.276 1.00 1.00 H new ATOM 0 HA ILE A 101 107.132 1.442 4.541 1.00 1.00 H new ATOM 0 HB ILE A 101 107.984 2.104 2.532 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.316 1.652 1.157 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.958 3.212 1.632 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.860 0.045 1.086 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.979 -0.389 2.808 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.408 -0.474 1.975 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.512 2.719 -0.732 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.992 2.809 0.253 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.339 1.226 -0.229 1.00 1.00 H new ATOM 1458 N TYR A 102 106.234 3.650 4.836 1.00 1.00 N ATOM 1459 CA TYR A 102 105.662 4.903 5.251 1.00 1.00 C ATOM 1460 C TYR A 102 106.405 5.973 4.481 1.00 1.00 C ATOM 1461 O TYR A 102 107.577 6.246 4.740 1.00 1.00 O ATOM 1462 CB TYR A 102 105.871 5.079 6.764 1.00 1.00 C ATOM 1463 CG TYR A 102 105.327 3.876 7.549 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.712 2.558 7.232 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.428 4.080 8.604 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.210 1.479 7.953 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.926 2.994 9.332 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.317 1.692 9.006 1.00 1.00 C ATOM 1469 OH TYR A 102 103.821 0.624 9.726 1.00 1.00 O ATOM 0 H TYR A 102 107.178 3.489 5.187 1.00 1.00 H new ATOM 0 HA TYR A 102 104.591 4.955 5.056 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.933 5.202 6.974 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.373 5.989 7.098 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.404 2.384 6.421 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.119 5.083 8.858 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.512 0.474 7.698 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.236 3.162 10.146 1.00 1.00 H new ATOM 0 HH TYR A 102 103.542 -0.085 9.109 1.00 1.00 H new ATOM 1479 N VAL A 103 105.744 6.499 3.459 1.00 1.00 N ATOM 1480 CA VAL A 103 106.370 7.452 2.556 1.00 1.00 C ATOM 1481 C VAL A 103 106.218 8.914 2.954 1.00 1.00 C ATOM 1482 O VAL A 103 105.116 9.458 2.906 1.00 1.00 O ATOM 1483 CB VAL A 103 105.790 7.302 1.158 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.674 8.058 0.169 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.732 5.827 0.781 1.00 1.00 C ATOM 0 H VAL A 103 104.773 6.281 3.235 1.00 1.00 H new ATOM 0 HA VAL A 103 107.432 7.212 2.599 1.00 1.00 H new ATOM 0 HB VAL A 103 104.780 7.712 1.132 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.265 7.956 -0.836 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.706 9.113 0.442 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.683 7.646 0.194 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.316 5.724 -0.221 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.737 5.406 0.802 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.101 5.294 1.492 1.00 1.00 H new ATOM 1489 N PRO A 104 107.307 9.583 3.264 1.00 1.00 N ATOM 1490 CA PRO A 104 107.265 11.029 3.581 1.00 1.00 C ATOM 1491 C PRO A 104 106.527 11.777 2.477 1.00 1.00 C ATOM 1492 O PRO A 104 106.574 11.379 1.314 1.00 1.00 O ATOM 1493 CB PRO A 104 108.747 11.438 3.629 1.00 1.00 C ATOM 1494 CG PRO A 104 109.516 10.177 3.907 1.00 1.00 C ATOM 1495 CD PRO A 104 108.677 9.028 3.373 1.00 1.00 C ATOM 0 HA PRO A 104 106.744 11.254 4.512 1.00 1.00 H new ATOM 0 HB2 PRO A 104 109.059 11.885 2.685 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.922 12.181 4.407 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.491 10.203 3.421 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.696 10.061 4.976 1.00 1.00 H new ATOM 0 HD2 PRO A 104 109.044 8.686 2.405 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.705 8.171 4.046 1.00 1.00 H new ATOM 1503 N SER A 105 105.819 12.836 2.838 1.00 1.00 N ATOM 1504 CA SER A 105 105.062 13.580 1.848 1.00 1.00 C ATOM 1505 C SER A 105 105.943 13.959 0.661 1.00 1.00 C ATOM 1506 O SER A 105 105.487 13.959 -0.483 1.00 1.00 O ATOM 1507 CB SER A 105 104.464 14.840 2.473 1.00 1.00 C ATOM 1508 OG SER A 105 105.497 15.788 2.698 1.00 1.00 O ATOM 0 H SER A 105 105.754 13.193 3.791 1.00 1.00 H new ATOM 0 HA SER A 105 104.255 12.941 1.491 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.705 15.262 1.814 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.969 14.594 3.413 1.00 1.00 H new ATOM 0 HG SER A 105 105.116 16.598 3.097 1.00 1.00 H new ATOM 1514 N GLY A 106 107.202 14.276 0.934 1.00 1.00 N ATOM 1515 CA GLY A 106 108.130 14.649 -0.129 1.00 1.00 C ATOM 1516 C GLY A 106 108.391 13.482 -1.067 1.00 1.00 C ATOM 1517 O GLY A 106 108.619 13.671 -2.263 1.00 1.00 O ATOM 0 H GLY A 106 107.602 14.283 1.872 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.722 15.488 -0.693 1.00 1.00 H new ATOM 0 HA3 GLY A 106 109.071 14.985 0.307 1.00 1.00 H new ATOM 1521 N LEU A 107 108.366 12.271 -0.518 1.00 1.00 N ATOM 1522 CA LEU A 107 108.613 11.069 -1.314 1.00 1.00 C ATOM 1523 C LEU A 107 107.302 10.405 -1.695 1.00 1.00 C ATOM 1524 O LEU A 107 107.309 9.353 -2.326 1.00 1.00 O ATOM 1525 CB LEU A 107 109.458 10.061 -0.517 1.00 1.00 C ATOM 1526 CG LEU A 107 110.775 10.695 -0.044 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.653 9.616 0.590 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.527 11.336 -1.215 1.00 1.00 C ATOM 0 H LEU A 107 108.179 12.094 0.469 1.00 1.00 H new ATOM 0 HA LEU A 107 109.149 11.370 -2.214 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.891 9.707 0.344 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.672 9.191 -1.137 1.00 1.00 H new ATOM 0 HG LEU A 107 110.544 11.472 0.685 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.589 10.061 0.928 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.132 9.177 1.441 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.864 8.840 -0.146 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.456 11.778 -0.853 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.754 10.575 -1.962 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.907 12.112 -1.664 1.00 1.00 H new ATOM 1540 N ALA A 108 106.171 11.004 -1.295 1.00 1.00 N ATOM 1541 CA ALA A 108 104.865 10.440 -1.597 1.00 1.00 C ATOM 1542 C ALA A 108 104.139 11.283 -2.629 1.00 1.00 C ATOM 1543 O ALA A 108 104.418 11.183 -3.816 1.00 1.00 O ATOM 1544 CB ALA A 108 103.997 10.347 -0.342 1.00 1.00 C ATOM 0 H ALA A 108 106.143 11.875 -0.764 1.00 1.00 H new ATOM 0 HA ALA A 108 105.033 9.438 -1.993 1.00 1.00 H new ATOM 0 HB1 ALA A 108 103.027 9.922 -0.601 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.488 9.710 0.394 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.856 11.343 0.077 1.00 1.00 H new ATOM 1550 N TYR A 109 103.165 12.082 -2.184 1.00 1.00 N ATOM 1551 CA TYR A 109 102.362 12.874 -3.104 1.00 1.00 C ATOM 1552 C TYR A 109 102.651 14.365 -3.085 1.00 1.00 C ATOM 1553 O TYR A 109 101.990 15.121 -3.797 1.00 1.00 O ATOM 1554 CB TYR A 109 100.878 12.534 -2.871 1.00 1.00 C ATOM 1555 CG TYR A 109 100.668 11.224 -3.568 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.555 10.033 -2.851 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.719 11.205 -4.958 1.00 1.00 C ATOM 1558 CE1 TYR A 109 100.502 8.831 -3.524 1.00 1.00 C ATOM 1559 CE2 TYR A 109 100.653 10.015 -5.639 1.00 1.00 C ATOM 1560 CZ TYR A 109 100.552 8.811 -4.926 1.00 1.00 C ATOM 1561 OH TYR A 109 100.525 7.617 -5.596 1.00 1.00 O ATOM 0 H TYR A 109 102.919 12.193 -1.200 1.00 1.00 H new ATOM 0 HA TYR A 109 102.645 12.597 -4.120 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.653 12.456 -1.807 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.227 13.307 -3.279 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.509 10.052 -1.772 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.811 12.132 -5.505 1.00 1.00 H new ATOM 0 HE1 TYR A 109 100.422 7.906 -2.973 1.00 1.00 H new ATOM 0 HE2 TYR A 109 100.679 10.006 -6.719 1.00 1.00 H new ATOM 0 HH TYR A 109 100.566 7.782 -6.561 1.00 1.00 H new ATOM 1571 N GLY A 110 103.672 14.794 -2.340 1.00 1.00 N ATOM 1572 CA GLY A 110 104.052 16.217 -2.351 1.00 1.00 C ATOM 1573 C GLY A 110 103.682 16.969 -1.083 1.00 1.00 C ATOM 1574 O GLY A 110 102.944 16.475 -0.232 1.00 1.00 O ATOM 0 H GLY A 110 104.240 14.200 -1.736 1.00 1.00 H new ATOM 0 HA2 GLY A 110 105.128 16.293 -2.505 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.574 16.703 -3.201 1.00 1.00 H new ATOM 1578 N PRO A 111 104.193 18.175 -0.967 1.00 1.00 N ATOM 1579 CA PRO A 111 103.935 19.073 0.191 1.00 1.00 C ATOM 1580 C PRO A 111 102.567 19.731 0.066 1.00 1.00 C ATOM 1581 O PRO A 111 102.057 20.342 1.005 1.00 1.00 O ATOM 1582 CB PRO A 111 105.056 20.094 0.076 1.00 1.00 C ATOM 1583 CG PRO A 111 105.239 20.243 -1.390 1.00 1.00 C ATOM 1584 CD PRO A 111 105.073 18.835 -1.955 1.00 1.00 C ATOM 0 HA PRO A 111 103.922 18.560 1.152 1.00 1.00 H new ATOM 0 HB2 PRO A 111 104.787 21.040 0.545 1.00 1.00 H new ATOM 0 HB3 PRO A 111 105.968 19.746 0.561 1.00 1.00 H new ATOM 0 HG2 PRO A 111 104.502 20.927 -1.812 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.223 20.649 -1.626 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.623 18.850 -2.948 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.031 18.323 -2.047 1.00 1.00 H new ATOM 1592 N ARG A 112 101.997 19.607 -1.128 1.00 1.00 N ATOM 1593 CA ARG A 112 100.694 20.185 -1.445 1.00 1.00 C ATOM 1594 C ARG A 112 99.643 19.079 -1.477 1.00 1.00 C ATOM 1595 O ARG A 112 99.985 17.899 -1.542 1.00 1.00 O ATOM 1596 CB ARG A 112 100.775 20.837 -2.835 1.00 1.00 C ATOM 1597 CG ARG A 112 99.578 21.766 -3.058 1.00 1.00 C ATOM 1598 CD ARG A 112 99.629 22.351 -4.469 1.00 1.00 C ATOM 1599 NE ARG A 112 98.600 23.374 -4.617 1.00 1.00 N ATOM 1600 CZ ARG A 112 98.574 24.184 -5.669 1.00 1.00 C ATOM 1601 NH1 ARG A 112 99.471 24.068 -6.610 1.00 1.00 N ATOM 1602 NH2 ARG A 112 97.646 25.096 -5.764 1.00 1.00 N ATOM 0 H ARG A 112 102.425 19.103 -1.904 1.00 1.00 H new ATOM 0 HA ARG A 112 100.422 20.925 -0.693 1.00 1.00 H new ATOM 0 HB2 ARG A 112 101.703 21.401 -2.926 1.00 1.00 H new ATOM 0 HB3 ARG A 112 100.794 20.066 -3.605 1.00 1.00 H new ATOM 0 HG2 ARG A 112 98.648 21.215 -2.917 1.00 1.00 H new ATOM 0 HG3 ARG A 112 99.588 22.569 -2.321 1.00 1.00 H new ATOM 0 HD2 ARG A 112 100.612 22.781 -4.659 1.00 1.00 H new ATOM 0 HD3 ARG A 112 99.479 21.562 -5.206 1.00 1.00 H new ATOM 0 HE ARG A 112 97.884 23.469 -3.896 1.00 1.00 H new ATOM 0 HH11 ARG A 112 100.195 23.353 -6.539 1.00 1.00 H new ATOM 0 HH12 ARG A 112 99.448 24.692 -7.417 1.00 1.00 H new ATOM 0 HH21 ARG A 112 96.942 25.186 -5.031 1.00 1.00 H new ATOM 0 HH22 ARG A 112 97.624 25.719 -6.571 1.00 1.00 H new ATOM 1616 N SER A 113 98.369 19.458 -1.457 1.00 1.00 N ATOM 1617 CA SER A 113 97.299 18.483 -1.525 1.00 1.00 C ATOM 1618 C SER A 113 97.165 17.986 -2.960 1.00 1.00 C ATOM 1619 O SER A 113 96.540 18.641 -3.793 1.00 1.00 O ATOM 1620 CB SER A 113 95.989 19.124 -1.093 1.00 1.00 C ATOM 1621 OG SER A 113 96.229 19.923 0.047 1.00 1.00 O ATOM 0 H SER A 113 98.059 20.428 -1.395 1.00 1.00 H new ATOM 0 HA SER A 113 97.528 17.649 -0.862 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.581 19.732 -1.901 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.249 18.356 -0.867 1.00 1.00 H new ATOM 0 HG SER A 113 95.778 20.787 -0.058 1.00 1.00 H new ATOM 1627 N VAL A 114 97.764 16.837 -3.249 1.00 1.00 N ATOM 1628 CA VAL A 114 97.712 16.272 -4.604 1.00 1.00 C ATOM 1629 C VAL A 114 96.815 15.038 -4.637 1.00 1.00 C ATOM 1630 O VAL A 114 97.272 13.940 -4.952 1.00 1.00 O ATOM 1631 CB VAL A 114 99.121 15.888 -5.072 1.00 1.00 C ATOM 1632 CG1 VAL A 114 99.105 15.627 -6.577 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.108 17.022 -4.762 1.00 1.00 C ATOM 0 H VAL A 114 98.288 16.278 -2.575 1.00 1.00 H new ATOM 0 HA VAL A 114 97.301 17.029 -5.272 1.00 1.00 H new ATOM 0 HB VAL A 114 99.436 14.987 -4.546 1.00 1.00 H new ATOM 0 HG11 VAL A 114 100.106 15.354 -6.910 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.415 14.813 -6.798 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.782 16.528 -7.099 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.105 16.739 -5.099 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.795 17.929 -5.279 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.126 17.205 -3.688 1.00 1.00 H new ATOM 1637 N GLY A 115 95.534 15.218 -4.313 1.00 1.00 N ATOM 1638 CA GLY A 115 94.604 14.094 -4.322 1.00 1.00 C ATOM 1639 C GLY A 115 93.263 14.448 -3.674 1.00 1.00 C ATOM 1640 O GLY A 115 92.986 15.608 -3.372 1.00 1.00 O ATOM 0 H GLY A 115 95.125 16.113 -4.046 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.435 13.772 -5.350 1.00 1.00 H new ATOM 0 HA3 GLY A 115 95.050 13.251 -3.793 1.00 1.00 H new ATOM 1644 N GLY A 116 92.432 13.424 -3.473 1.00 1.00 N ATOM 1645 CA GLY A 116 91.108 13.604 -2.871 1.00 1.00 C ATOM 1646 C GLY A 116 91.203 14.058 -1.406 1.00 1.00 C ATOM 1647 O GLY A 116 91.485 15.228 -1.144 1.00 1.00 O ATOM 0 H GLY A 116 92.652 12.459 -3.719 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.546 14.341 -3.444 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.554 12.667 -2.926 1.00 1.00 H new ATOM 1651 N PRO A 117 90.945 13.184 -0.449 1.00 1.00 N ATOM 1652 CA PRO A 117 90.976 13.549 0.999 1.00 1.00 C ATOM 1653 C PRO A 117 92.358 14.004 1.425 1.00 1.00 C ATOM 1654 O PRO A 117 92.523 14.618 2.480 1.00 1.00 O ATOM 1655 CB PRO A 117 90.558 12.268 1.727 1.00 1.00 C ATOM 1656 CG PRO A 117 90.872 11.184 0.761 1.00 1.00 C ATOM 1657 CD PRO A 117 90.620 11.762 -0.617 1.00 1.00 C ATOM 0 HA PRO A 117 90.315 14.385 1.227 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.107 12.142 2.660 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.498 12.281 1.981 1.00 1.00 H new ATOM 0 HG2 PRO A 117 91.907 10.859 0.864 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.244 10.311 0.938 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.250 11.292 -1.372 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.586 11.620 -0.930 1.00 1.00 H new ATOM 1665 N ILE A 118 93.350 13.702 0.600 1.00 1.00 N ATOM 1666 CA ILE A 118 94.706 14.096 0.917 1.00 1.00 C ATOM 1667 C ILE A 118 94.813 15.612 0.865 1.00 1.00 C ATOM 1668 O ILE A 118 94.674 16.218 -0.195 1.00 1.00 O ATOM 1669 CB ILE A 118 95.698 13.507 -0.098 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.457 11.987 -0.288 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.112 13.745 0.417 1.00 1.00 C ATOM 1672 CD1 ILE A 118 94.627 11.700 -1.551 1.00 1.00 C ATOM 0 H ILE A 118 93.241 13.194 -0.278 1.00 1.00 H new ATOM 0 HA ILE A 118 94.947 13.724 1.913 1.00 1.00 H new ATOM 0 HB ILE A 118 95.558 13.993 -1.064 1.00 1.00 H new ATOM 0 HG12 ILE A 118 96.415 11.472 -0.356 1.00 1.00 H new ATOM 0 HG13 ILE A 118 94.942 11.587 0.586 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.831 13.333 -0.291 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.284 14.816 0.527 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.234 13.256 1.384 1.00 1.00 H new ATOM 0 HD11 ILE A 118 94.478 10.625 -1.652 1.00 1.00 H new ATOM 0 HD12 ILE A 118 93.659 12.195 -1.470 1.00 1.00 H new ATOM 0 HD13 ILE A 118 95.155 12.077 -2.427 1.00 1.00 H new ATOM 1679 N GLY A 119 95.065 16.207 2.019 1.00 1.00 N ATOM 1680 CA GLY A 119 95.199 17.648 2.128 1.00 1.00 C ATOM 1681 C GLY A 119 96.645 18.066 1.927 1.00 1.00 C ATOM 1682 O GLY A 119 97.476 17.266 1.493 1.00 1.00 O ATOM 0 H GLY A 119 95.182 15.708 2.901 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.567 18.135 1.385 1.00 1.00 H new ATOM 0 HA3 GLY A 119 94.852 17.978 3.107 1.00 1.00 H new ATOM 1686 N PRO A 120 96.962 19.296 2.229 1.00 1.00 N ATOM 1687 CA PRO A 120 98.351 19.824 2.069 1.00 1.00 C ATOM 1688 C PRO A 120 99.365 19.155 3.000 1.00 1.00 C ATOM 1689 O PRO A 120 99.074 18.884 4.159 1.00 1.00 O ATOM 1690 CB PRO A 120 98.213 21.312 2.411 1.00 1.00 C ATOM 1691 CG PRO A 120 96.994 21.395 3.270 1.00 1.00 C ATOM 1692 CD PRO A 120 96.044 20.322 2.763 1.00 1.00 C ATOM 0 HA PRO A 120 98.732 19.631 1.066 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.094 21.680 2.937 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.104 21.916 1.510 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.244 21.230 4.318 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.537 22.382 3.203 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.417 19.927 3.562 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.375 20.706 1.993 1.00 1.00 H new ATOM 1700 N ASN A 121 100.572 18.941 2.493 1.00 1.00 N ATOM 1701 CA ASN A 121 101.637 18.353 3.299 1.00 1.00 C ATOM 1702 C ASN A 121 101.183 17.080 3.995 1.00 1.00 C ATOM 1703 O ASN A 121 101.314 16.947 5.211 1.00 1.00 O ATOM 1704 CB ASN A 121 102.122 19.364 4.336 1.00 1.00 C ATOM 1705 CG ASN A 121 103.444 18.899 4.937 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.512 19.355 4.528 1.00 1.00 O ATOM 1707 ND2 ASN A 121 103.435 18.007 5.886 1.00 1.00 N ATOM 0 H ASN A 121 100.838 19.164 1.534 1.00 1.00 H new ATOM 0 HA ASN A 121 102.454 18.091 2.627 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.248 20.342 3.872 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.376 19.478 5.122 1.00 1.00 H new ATOM 0 HD21 ASN A 121 104.314 17.685 6.292 1.00 1.00 H new ATOM 0 HD22 ASN A 121 102.549 17.630 6.224 1.00 1.00 H new ATOM 1714 N GLU A 122 100.656 16.145 3.217 1.00 1.00 N ATOM 1715 CA GLU A 122 100.187 14.873 3.758 1.00 1.00 C ATOM 1716 C GLU A 122 101.206 13.770 3.549 1.00 1.00 C ATOM 1717 O GLU A 122 101.694 13.560 2.440 1.00 1.00 O ATOM 1718 CB GLU A 122 98.896 14.454 3.051 1.00 1.00 C ATOM 1719 CG GLU A 122 97.702 15.218 3.599 1.00 1.00 C ATOM 1720 CD GLU A 122 97.399 14.747 5.017 1.00 1.00 C ATOM 1721 OE1 GLU A 122 97.812 13.649 5.354 1.00 1.00 O ATOM 1722 OE2 GLU A 122 96.718 15.464 5.729 1.00 1.00 O ATOM 0 H GLU A 122 100.542 16.242 2.208 1.00 1.00 H new ATOM 0 HA GLU A 122 100.022 15.016 4.826 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.988 14.636 1.980 1.00 1.00 H new ATOM 0 HB3 GLU A 122 98.738 13.383 3.180 1.00 1.00 H new ATOM 0 HG2 GLU A 122 97.910 16.288 3.597 1.00 1.00 H new ATOM 0 HG3 GLU A 122 96.833 15.062 2.960 1.00 1.00 H new ATOM 1729 N THR A 123 101.459 13.017 4.608 1.00 1.00 N ATOM 1730 CA THR A 123 102.345 11.873 4.520 1.00 1.00 C ATOM 1731 C THR A 123 101.466 10.664 4.255 1.00 1.00 C ATOM 1732 O THR A 123 100.487 10.436 4.969 1.00 1.00 O ATOM 1733 CB THR A 123 103.114 11.677 5.825 1.00 1.00 C ATOM 1734 OG1 THR A 123 103.975 12.789 6.038 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.948 10.398 5.735 1.00 1.00 C ATOM 0 H THR A 123 101.064 13.179 5.534 1.00 1.00 H new ATOM 0 HA THR A 123 103.080 12.018 3.728 1.00 1.00 H new ATOM 0 HB THR A 123 102.411 11.597 6.654 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.220 12.836 6.986 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.498 10.256 6.665 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.290 9.545 5.569 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.652 10.480 4.907 1.00 1.00 H new ATOM 1743 N LEU A 124 101.803 9.892 3.232 1.00 1.00 N ATOM 1744 CA LEU A 124 101.013 8.708 2.890 1.00 1.00 C ATOM 1745 C LEU A 124 101.798 7.431 3.153 1.00 1.00 C ATOM 1746 O LEU A 124 102.985 7.332 2.841 1.00 1.00 O ATOM 1747 CB LEU A 124 100.606 8.714 1.402 1.00 1.00 C ATOM 1748 CG LEU A 124 99.675 9.897 1.014 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.648 10.192 2.096 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.487 11.156 0.767 1.00 1.00 C ATOM 0 H LEU A 124 102.608 10.057 2.628 1.00 1.00 H new ATOM 0 HA LEU A 124 100.122 8.738 3.518 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.506 8.755 0.788 1.00 1.00 H new ATOM 0 HB3 LEU A 124 100.103 7.776 1.168 1.00 1.00 H new ATOM 0 HG LEU A 124 99.153 9.598 0.105 1.00 1.00 H new ATOM 0 HD11 LEU A 124 98.019 11.025 1.783 1.00 1.00 H new ATOM 0 HD12 LEU A 124 98.028 9.311 2.259 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.160 10.452 3.022 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.818 11.973 0.497 1.00 1.00 H new ATOM 0 HD22 LEU A 124 101.034 11.419 1.672 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.192 10.981 -0.045 1.00 1.00 H new ATOM 1762 N ILE A 125 101.096 6.443 3.702 1.00 1.00 N ATOM 1763 CA ILE A 125 101.666 5.138 3.987 1.00 1.00 C ATOM 1764 C ILE A 125 100.916 4.103 3.188 1.00 1.00 C ATOM 1765 O ILE A 125 99.702 4.204 3.023 1.00 1.00 O ATOM 1766 CB ILE A 125 101.518 4.796 5.483 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.653 3.264 5.687 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.137 5.252 5.967 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.724 2.893 7.160 1.00 1.00 C ATOM 0 H ILE A 125 100.113 6.530 3.961 1.00 1.00 H new ATOM 0 HA ILE A 125 102.724 5.149 3.725 1.00 1.00 H new ATOM 0 HB ILE A 125 102.297 5.304 6.051 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.804 2.760 5.226 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.549 2.908 5.179 1.00 1.00 H new ATOM 0 HG21 ILE A 125 100.025 5.013 7.025 1.00 1.00 H new ATOM 0 HG22 ILE A 125 100.039 6.328 5.826 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.363 4.739 5.395 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.818 1.812 7.259 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.589 3.376 7.615 1.00 1.00 H new ATOM 0 HD13 ILE A 125 100.816 3.226 7.663 1.00 1.00 H new ATOM 1776 N PHE A 126 101.629 3.078 2.740 1.00 1.00 N ATOM 1777 CA PHE A 126 100.983 2.001 2.015 1.00 1.00 C ATOM 1778 C PHE A 126 101.498 0.646 2.470 1.00 1.00 C ATOM 1779 O PHE A 126 102.659 0.503 2.851 1.00 1.00 O ATOM 1780 CB PHE A 126 101.213 2.128 0.512 1.00 1.00 C ATOM 1781 CG PHE A 126 101.240 3.577 0.106 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.184 4.118 -0.639 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.331 4.370 0.449 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.228 5.460 -1.037 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.372 5.708 0.056 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.324 6.253 -0.686 1.00 1.00 C ATOM 0 H PHE A 126 102.636 2.973 2.864 1.00 1.00 H new ATOM 0 HA PHE A 126 99.916 2.076 2.227 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.154 1.650 0.240 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.423 1.607 -0.029 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.338 3.502 -0.906 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.146 3.950 1.019 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.417 5.881 -1.613 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.217 6.323 0.327 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.360 7.289 -0.990 1.00 1.00 H new ATOM 1796 N LYS A 127 100.636 -0.361 2.367 1.00 1.00 N ATOM 1797 CA LYS A 127 101.013 -1.713 2.704 1.00 1.00 C ATOM 1798 C LYS A 127 101.297 -2.377 1.389 1.00 1.00 C ATOM 1799 O LYS A 127 100.454 -2.350 0.508 1.00 1.00 O ATOM 1800 CB LYS A 127 99.878 -2.462 3.453 1.00 1.00 C ATOM 1801 CG LYS A 127 98.773 -1.504 3.900 1.00 1.00 C ATOM 1802 CD LYS A 127 99.291 -0.532 4.975 1.00 1.00 C ATOM 1803 CE LYS A 127 98.165 0.424 5.360 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.649 1.390 6.385 1.00 1.00 N ATOM 0 H LYS A 127 99.672 -0.257 2.051 1.00 1.00 H new ATOM 0 HA LYS A 127 101.872 -1.725 3.375 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.456 -3.228 2.803 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.291 -2.974 4.322 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.405 -0.941 3.042 1.00 1.00 H new ATOM 0 HG3 LYS A 127 97.930 -2.073 4.294 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.632 -1.085 5.850 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.147 0.027 4.597 1.00 1.00 H new ATOM 0 HE2 LYS A 127 97.815 0.961 4.478 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.316 -0.138 5.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 97.932 2.129 6.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 98.818 0.890 7.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 99.535 1.827 6.059 1.00 1.00 H new ATOM 1818 N ILE A 128 102.499 -2.904 1.212 1.00 1.00 N ATOM 1819 CA ILE A 128 102.841 -3.493 -0.082 1.00 1.00 C ATOM 1820 C ILE A 128 103.162 -4.975 0.022 1.00 1.00 C ATOM 1821 O ILE A 128 104.119 -5.389 0.679 1.00 1.00 O ATOM 1822 CB ILE A 128 104.021 -2.721 -0.690 1.00 1.00 C ATOM 1823 CG1 ILE A 128 103.852 -1.223 -0.354 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.016 -2.911 -2.209 1.00 1.00 C ATOM 1825 CD1 ILE A 128 104.963 -0.374 -0.983 1.00 1.00 C ATOM 0 H ILE A 128 103.234 -2.939 1.918 1.00 1.00 H new ATOM 0 HA ILE A 128 101.970 -3.412 -0.733 1.00 1.00 H new ATOM 0 HB ILE A 128 104.964 -3.088 -0.285 1.00 1.00 H new ATOM 0 HG12 ILE A 128 102.882 -0.877 -0.711 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.859 -1.089 0.728 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.852 -2.365 -2.647 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.112 -3.971 -2.443 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.080 -2.532 -2.620 1.00 1.00 H new ATOM 0 HD11 ILE A 128 104.811 0.674 -0.725 1.00 1.00 H new ATOM 0 HD12 ILE A 128 105.931 -0.704 -0.605 1.00 1.00 H new ATOM 0 HD13 ILE A 128 104.939 -0.488 -2.067 1.00 1.00 H new ATOM 1832 N HIS A 129 102.342 -5.759 -0.673 1.00 1.00 N ATOM 1833 CA HIS A 129 102.489 -7.209 -0.729 1.00 1.00 C ATOM 1834 C HIS A 129 102.976 -7.592 -2.114 1.00 1.00 C ATOM 1835 O HIS A 129 102.356 -7.225 -3.107 1.00 1.00 O ATOM 1836 CB HIS A 129 101.140 -7.871 -0.449 1.00 1.00 C ATOM 1837 CG HIS A 129 101.234 -9.349 -0.702 1.00 1.00 C ATOM 1838 ND1 HIS A 129 100.184 -10.052 -1.258 1.00 1.00 N ATOM 1839 CD2 HIS A 129 102.250 -10.261 -0.520 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.577 -11.326 -1.399 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.827 -11.513 -0.970 1.00 1.00 N ATOM 0 H HIS A 129 101.554 -5.404 -1.215 1.00 1.00 H new ATOM 0 HA HIS A 129 103.207 -7.543 0.020 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.843 -7.688 0.584 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.371 -7.432 -1.085 1.00 1.00 H new ATOM 0 HD2 HIS A 129 103.219 -10.042 -0.097 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.956 -12.108 -1.811 1.00 1.00 H new ATOM 0 HE2 HIS A 129 102.359 -12.383 -0.971 1.00 1.00 H new ATOM 1849 N LEU A 130 104.105 -8.295 -2.196 1.00 1.00 N ATOM 1850 CA LEU A 130 104.657 -8.661 -3.498 1.00 1.00 C ATOM 1851 C LEU A 130 104.240 -10.073 -3.928 1.00 1.00 C ATOM 1852 O LEU A 130 104.667 -11.068 -3.342 1.00 1.00 O ATOM 1853 CB LEU A 130 106.192 -8.545 -3.449 1.00 1.00 C ATOM 1854 CG LEU A 130 106.716 -7.807 -4.690 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.234 -7.635 -4.594 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.375 -8.605 -5.951 1.00 1.00 C ATOM 0 H LEU A 130 104.646 -8.617 -1.393 1.00 1.00 H new ATOM 0 HA LEU A 130 104.256 -7.973 -4.242 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.494 -8.012 -2.547 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.636 -9.539 -3.395 1.00 1.00 H new ATOM 0 HG LEU A 130 106.244 -6.826 -4.742 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.597 -7.111 -5.478 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.479 -7.057 -3.703 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.708 -8.615 -4.533 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.749 -8.077 -6.828 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.839 -9.590 -5.895 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.294 -8.718 -6.029 1.00 1.00 H new ATOM 1868 N ILE A 131 103.402 -10.138 -4.964 1.00 1.00 N ATOM 1869 CA ILE A 131 102.918 -11.409 -5.489 1.00 1.00 C ATOM 1870 C ILE A 131 103.779 -11.898 -6.654 1.00 1.00 C ATOM 1871 O ILE A 131 104.131 -13.076 -6.714 1.00 1.00 O ATOM 1872 CB ILE A 131 101.463 -11.236 -5.937 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.565 -11.005 -4.710 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.989 -12.495 -6.654 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.556 -9.540 -4.292 1.00 1.00 C ATOM 0 H ILE A 131 103.045 -9.319 -5.456 1.00 1.00 H new ATOM 0 HA ILE A 131 102.980 -12.162 -4.703 1.00 1.00 H new ATOM 0 HB ILE A 131 101.404 -10.380 -6.610 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.548 -11.326 -4.936 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.916 -11.619 -3.880 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.954 -12.366 -6.970 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.616 -12.674 -7.528 1.00 1.00 H new ATOM 0 HG23 ILE A 131 101.058 -13.347 -5.977 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.911 -9.414 -3.422 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.569 -9.227 -4.041 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.181 -8.930 -5.113 1.00 1.00 H new ATOM 1882 N SER A 132 104.113 -11.003 -7.586 1.00 1.00 N ATOM 1883 CA SER A 132 104.928 -11.394 -8.740 1.00 1.00 C ATOM 1884 C SER A 132 105.757 -10.220 -9.251 1.00 1.00 C ATOM 1885 O SER A 132 105.428 -9.057 -9.021 1.00 1.00 O ATOM 1886 CB SER A 132 104.027 -11.918 -9.862 1.00 1.00 C ATOM 1887 OG SER A 132 103.557 -10.829 -10.643 1.00 1.00 O ATOM 0 H SER A 132 103.839 -10.021 -7.567 1.00 1.00 H new ATOM 0 HA SER A 132 105.610 -12.182 -8.422 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.580 -12.617 -10.490 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.185 -12.466 -9.440 1.00 1.00 H new ATOM 0 HG SER A 132 102.982 -11.166 -11.361 1.00 1.00 H new ATOM 1893 N VAL A 133 106.859 -10.540 -9.924 1.00 1.00 N ATOM 1894 CA VAL A 133 107.769 -9.524 -10.454 1.00 1.00 C ATOM 1895 C VAL A 133 108.042 -9.789 -11.927 1.00 1.00 C ATOM 1896 O VAL A 133 108.265 -10.929 -12.333 1.00 1.00 O ATOM 1897 CB VAL A 133 109.078 -9.565 -9.676 1.00 1.00 C ATOM 1898 CG1 VAL A 133 110.000 -8.447 -10.166 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.769 -9.370 -8.200 1.00 1.00 C ATOM 0 H VAL A 133 107.146 -11.500 -10.117 1.00 1.00 H new ATOM 0 HA VAL A 133 107.311 -8.540 -10.349 1.00 1.00 H new ATOM 0 HB VAL A 133 109.575 -10.523 -9.827 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.936 -8.477 -9.609 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.205 -8.584 -11.228 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.516 -7.482 -10.011 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.696 -9.397 -7.628 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.280 -8.407 -8.055 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.109 -10.167 -7.858 1.00 1.00 H new ATOM 1903 N LYS A 134 108.008 -8.733 -12.720 1.00 1.00 N ATOM 1904 CA LYS A 134 108.232 -8.838 -14.142 1.00 1.00 C ATOM 1905 C LYS A 134 109.714 -8.983 -14.467 1.00 1.00 C ATOM 1906 O LYS A 134 110.232 -10.084 -14.667 1.00 1.00 O ATOM 1907 CB LYS A 134 107.692 -7.566 -14.772 1.00 1.00 C ATOM 1908 CG LYS A 134 108.064 -7.443 -16.261 1.00 1.00 C ATOM 1909 CD LYS A 134 107.784 -8.743 -17.019 1.00 1.00 C ATOM 1910 CE LYS A 134 108.228 -8.582 -18.472 1.00 1.00 C ATOM 1911 NZ LYS A 134 107.218 -7.777 -19.215 1.00 1.00 N ATOM 0 H LYS A 134 107.825 -7.784 -12.394 1.00 1.00 H new ATOM 0 HA LYS A 134 107.730 -9.724 -14.530 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.607 -7.545 -14.669 1.00 1.00 H new ATOM 0 HB3 LYS A 134 108.080 -6.703 -14.231 1.00 1.00 H new ATOM 0 HG2 LYS A 134 107.498 -6.628 -16.712 1.00 1.00 H new ATOM 0 HG3 LYS A 134 109.119 -7.187 -16.353 1.00 1.00 H new ATOM 0 HD2 LYS A 134 108.317 -9.572 -16.553 1.00 1.00 H new ATOM 0 HD3 LYS A 134 106.721 -8.982 -16.975 1.00 1.00 H new ATOM 0 HE2 LYS A 134 109.201 -8.092 -18.514 1.00 1.00 H new ATOM 0 HE3 LYS A 134 108.343 -9.560 -18.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 107.458 -7.767 -20.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 106.276 -8.198 -19.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 107.214 -6.803 -18.851 1.00 1.00 H new