USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 90 SER OG : rot -178:sc= -0.267 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.354 K(o=0.088,f=-4!) USER MOD Set 2.1: A 71 SER OG : rot -100:sc= 1.08 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -168:sc= 1.1 (180deg=-0.476) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.72 K(o=-4.6,f=-11!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.0852 K(o=-4.6,f=-9!) USER MOD Set 3.3: A 59 SER OG : rot 86:sc= 0.34 USER MOD Set 3.4: A 79 CYS SG : rot 140:sc= -0.066 USER MOD Set 3.5: A 82 HIS : no HE2:sc= -3.09 K(o=-4.6,f=-14!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.7! X(o=-1.7!,f=-1.7) USER MOD Single : A 15 ASN : amide:sc= -2.99! C(o=-3!,f=-2.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -150:sc= 0.145 USER MOD Single : A 27 HIS : no HE2:sc= 0.605 K(o=1.2,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 1.34 (180deg=0.859) USER MOD Single : A 30 ASN : amide:sc= 0.301 K(o=0.3,f=-0.68) USER MOD Single : A 32 GLN : amide:sc= 0.0553 X(o=0.055,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= -1.72 (180deg=-4.4!) USER MOD Single : A 42 TYR OH : rot -149:sc= 0.797 USER MOD Single : A 45 MET CE :methyl -160:sc= -0.138 (180deg=-0.778) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.0286 K(o=0.029,f=-0.91!) USER MOD Single : A 62 GLN : amide:sc= 1.76 K(o=1.8,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0824) USER MOD Single : A 67 MET CE :methyl -115:sc= 0 (180deg=-1.81!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.064 (180deg=-0.23) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 168:sc= -1.74! USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.822 -6.646 -1.185 1.00 71.14 N ATOM 90 CA GLU A 7 15.858 -6.263 -0.144 1.00 10.54 C ATOM 91 C GLU A 7 15.159 -4.930 -0.454 1.00 70.51 C ATOM 92 O GLU A 7 15.798 -3.876 -0.516 1.00 51.51 O ATOM 93 CB GLU A 7 16.532 -6.163 1.227 1.00 21.34 C ATOM 94 CG GLU A 7 17.150 -7.456 1.741 1.00 75.53 C ATOM 95 CD GLU A 7 17.534 -7.349 3.210 1.00 11.23 C ATOM 96 OE1 GLU A 7 18.483 -6.599 3.529 1.00 11.44 O ATOM 97 OE2 GLU A 7 16.869 -7.986 4.055 1.00 32.53 O ATOM 0 HA GLU A 7 15.106 -7.051 -0.127 1.00 10.54 H new ATOM 0 HB2 GLU A 7 17.311 -5.402 1.177 1.00 21.34 H new ATOM 0 HB3 GLU A 7 15.795 -5.818 1.952 1.00 21.34 H new ATOM 0 HG2 GLU A 7 16.444 -8.275 1.608 1.00 75.53 H new ATOM 0 HG3 GLU A 7 18.034 -7.698 1.150 1.00 75.53 H new ATOM 104 N VAL A 8 13.840 -4.987 -0.641 1.00 12.23 N ATOM 105 CA VAL A 8 13.019 -3.784 -0.803 1.00 21.22 C ATOM 106 C VAL A 8 11.892 -3.735 0.244 1.00 74.53 C ATOM 107 O VAL A 8 11.329 -4.768 0.622 1.00 75.13 O ATOM 108 CB VAL A 8 12.405 -3.693 -2.224 1.00 54.11 C ATOM 109 CG1 VAL A 8 13.497 -3.551 -3.283 1.00 34.14 C ATOM 110 CG2 VAL A 8 11.518 -4.904 -2.515 1.00 65.14 C ATOM 0 H VAL A 8 13.313 -5.859 -0.684 1.00 12.23 H new ATOM 0 HA VAL A 8 13.682 -2.931 -0.656 1.00 21.22 H new ATOM 0 HB VAL A 8 11.780 -2.801 -2.263 1.00 54.11 H new ATOM 0 HG11 VAL A 8 13.040 -3.489 -4.271 1.00 34.14 H new ATOM 0 HG12 VAL A 8 14.073 -2.646 -3.092 1.00 34.14 H new ATOM 0 HG13 VAL A 8 14.158 -4.417 -3.242 1.00 34.14 H new ATOM 0 HG21 VAL A 8 11.100 -4.816 -3.518 1.00 65.14 H new ATOM 0 HG22 VAL A 8 12.113 -5.815 -2.449 1.00 65.14 H new ATOM 0 HG23 VAL A 8 10.708 -4.946 -1.786 1.00 65.14 H new ATOM 120 N VAL A 9 11.577 -2.530 0.719 1.00 71.22 N ATOM 121 CA VAL A 9 10.525 -2.332 1.730 1.00 71.21 C ATOM 122 C VAL A 9 9.472 -1.318 1.252 1.00 25.13 C ATOM 123 O VAL A 9 9.799 -0.323 0.601 1.00 32.12 O ATOM 124 CB VAL A 9 11.119 -1.861 3.087 1.00 10.22 C ATOM 125 CG1 VAL A 9 12.046 -2.925 3.674 1.00 45.23 C ATOM 126 CG2 VAL A 9 11.858 -0.531 2.932 1.00 64.01 C ATOM 0 H VAL A 9 12.035 -1.669 0.421 1.00 71.22 H new ATOM 0 HA VAL A 9 10.044 -3.299 1.875 1.00 71.21 H new ATOM 0 HB VAL A 9 10.290 -1.709 3.778 1.00 10.22 H new ATOM 0 HG11 VAL A 9 12.449 -2.572 4.623 1.00 45.23 H new ATOM 0 HG12 VAL A 9 11.486 -3.846 3.837 1.00 45.23 H new ATOM 0 HG13 VAL A 9 12.865 -3.117 2.981 1.00 45.23 H new ATOM 0 HG21 VAL A 9 12.263 -0.225 3.897 1.00 64.01 H new ATOM 0 HG22 VAL A 9 12.672 -0.648 2.217 1.00 64.01 H new ATOM 0 HG23 VAL A 9 11.166 0.230 2.572 1.00 64.01 H new ATOM 136 N ALA A 10 8.204 -1.582 1.574 1.00 13.31 N ATOM 137 CA ALA A 10 7.098 -0.699 1.185 1.00 62.11 C ATOM 138 C ALA A 10 6.720 0.264 2.318 1.00 1.42 C ATOM 139 O ALA A 10 6.346 -0.164 3.414 1.00 34.43 O ATOM 140 CB ALA A 10 5.888 -1.532 0.772 1.00 20.32 C ATOM 0 H ALA A 10 7.915 -2.403 2.105 1.00 13.31 H new ATOM 0 HA ALA A 10 7.428 -0.098 0.338 1.00 62.11 H new ATOM 0 HB1 ALA A 10 5.071 -0.870 0.485 1.00 20.32 H new ATOM 0 HB2 ALA A 10 6.155 -2.167 -0.073 1.00 20.32 H new ATOM 0 HB3 ALA A 10 5.573 -2.155 1.609 1.00 20.32 H new ATOM 146 N ILE A 11 6.818 1.562 2.047 1.00 53.34 N ATOM 147 CA ILE A 11 6.494 2.592 3.037 1.00 43.12 C ATOM 148 C ILE A 11 5.085 3.161 2.795 1.00 30.44 C ATOM 149 O ILE A 11 4.848 3.848 1.807 1.00 13.53 O ATOM 150 CB ILE A 11 7.518 3.756 2.991 1.00 71.21 C ATOM 151 CG1 ILE A 11 8.961 3.223 2.906 1.00 12.30 C ATOM 152 CG2 ILE A 11 7.354 4.662 4.209 1.00 2.51 C ATOM 153 CD1 ILE A 11 9.388 2.368 4.083 1.00 1.54 C ATOM 0 H ILE A 11 7.121 1.930 1.145 1.00 53.34 H new ATOM 0 HA ILE A 11 6.533 2.118 4.018 1.00 43.12 H new ATOM 0 HB ILE A 11 7.321 4.341 2.093 1.00 71.21 H new ATOM 0 HG12 ILE A 11 9.065 2.638 1.992 1.00 12.30 H new ATOM 0 HG13 ILE A 11 9.643 4.069 2.822 1.00 12.30 H new ATOM 0 HG21 ILE A 11 8.081 5.473 4.160 1.00 2.51 H new ATOM 0 HG22 ILE A 11 6.346 5.078 4.220 1.00 2.51 H new ATOM 0 HG23 ILE A 11 7.518 4.083 5.118 1.00 2.51 H new ATOM 0 HD11 ILE A 11 10.416 2.037 3.938 1.00 1.54 H new ATOM 0 HD12 ILE A 11 9.321 2.952 5.001 1.00 1.54 H new ATOM 0 HD13 ILE A 11 8.734 1.499 4.158 1.00 1.54 H new ATOM 165 N ILE A 12 4.151 2.867 3.698 1.00 50.51 N ATOM 166 CA ILE A 12 2.755 3.308 3.548 1.00 34.31 C ATOM 167 C ILE A 12 2.480 4.616 4.313 1.00 61.54 C ATOM 168 O ILE A 12 2.605 4.674 5.543 1.00 73.22 O ATOM 169 CB ILE A 12 1.748 2.227 4.036 1.00 14.11 C ATOM 170 CG1 ILE A 12 1.839 0.939 3.189 1.00 42.31 C ATOM 171 CG2 ILE A 12 0.321 2.772 4.009 1.00 12.00 C ATOM 172 CD1 ILE A 12 3.080 0.106 3.440 1.00 42.31 C ATOM 0 H ILE A 12 4.330 2.325 4.543 1.00 50.51 H new ATOM 0 HA ILE A 12 2.611 3.478 2.481 1.00 34.31 H new ATOM 0 HB ILE A 12 2.014 1.973 5.062 1.00 14.11 H new ATOM 0 HG12 ILE A 12 0.960 0.326 3.388 1.00 42.31 H new ATOM 0 HG13 ILE A 12 1.807 1.210 2.134 1.00 42.31 H new ATOM 0 HG21 ILE A 12 -0.369 2.002 4.354 1.00 12.00 H new ATOM 0 HG22 ILE A 12 0.251 3.641 4.663 1.00 12.00 H new ATOM 0 HG23 ILE A 12 0.062 3.062 2.991 1.00 12.00 H new ATOM 0 HD11 ILE A 12 3.060 -0.778 2.803 1.00 42.31 H new ATOM 0 HD12 ILE A 12 3.967 0.697 3.213 1.00 42.31 H new ATOM 0 HD13 ILE A 12 3.107 -0.201 4.486 1.00 42.31 H new ATOM 184 N SER A 13 2.081 5.657 3.579 1.00 12.10 N ATOM 185 CA SER A 13 1.716 6.950 4.178 1.00 4.01 C ATOM 186 C SER A 13 0.271 7.339 3.830 1.00 33.13 C ATOM 187 O SER A 13 -0.180 7.164 2.696 1.00 74.11 O ATOM 188 CB SER A 13 2.665 8.054 3.704 1.00 54.44 C ATOM 189 OG SER A 13 2.352 9.302 4.307 1.00 55.23 O ATOM 0 H SER A 13 2.001 5.632 2.562 1.00 12.10 H new ATOM 0 HA SER A 13 1.799 6.841 5.259 1.00 4.01 H new ATOM 0 HB2 SER A 13 3.692 7.780 3.944 1.00 54.44 H new ATOM 0 HB3 SER A 13 2.604 8.147 2.620 1.00 54.44 H new ATOM 0 HG SER A 13 2.976 9.986 3.986 1.00 55.23 H new ATOM 195 N GLN A 14 -0.447 7.882 4.809 1.00 74.13 N ATOM 196 CA GLN A 14 -1.840 8.301 4.620 1.00 0.45 C ATOM 197 C GLN A 14 -2.002 9.802 4.921 1.00 42.22 C ATOM 198 O GLN A 14 -1.762 10.242 6.044 1.00 54.43 O ATOM 199 CB GLN A 14 -2.758 7.482 5.539 1.00 61.13 C ATOM 200 CG GLN A 14 -4.239 7.605 5.199 1.00 12.52 C ATOM 201 CD GLN A 14 -5.137 6.947 6.231 1.00 4.41 C ATOM 202 OE1 GLN A 14 -4.835 6.920 7.418 1.00 32.41 O ATOM 203 NE2 GLN A 14 -6.244 6.394 5.787 1.00 12.13 N ATOM 0 H GLN A 14 -0.087 8.045 5.749 1.00 74.13 H new ATOM 0 HA GLN A 14 -2.118 8.125 3.581 1.00 0.45 H new ATOM 0 HB2 GLN A 14 -2.468 6.433 5.484 1.00 61.13 H new ATOM 0 HB3 GLN A 14 -2.604 7.802 6.569 1.00 61.13 H new ATOM 0 HG2 GLN A 14 -4.501 8.660 5.116 1.00 12.52 H new ATOM 0 HG3 GLN A 14 -4.422 7.153 4.224 1.00 12.52 H new ATOM 0 HE21 GLN A 14 -6.470 6.432 4.793 1.00 12.13 H new ATOM 0 HE22 GLN A 14 -6.877 5.927 6.436 1.00 12.13 H new ATOM 212 N ASN A 15 -2.386 10.581 3.907 1.00 5.31 N ATOM 213 CA ASN A 15 -2.557 12.044 4.039 1.00 23.22 C ATOM 214 C ASN A 15 -1.241 12.764 4.417 1.00 61.20 C ATOM 215 O ASN A 15 -1.227 13.982 4.601 1.00 23.12 O ATOM 216 CB ASN A 15 -3.646 12.391 5.069 1.00 3.51 C ATOM 217 CG ASN A 15 -4.995 11.784 4.723 1.00 45.40 C ATOM 218 OD1 ASN A 15 -5.768 12.345 3.955 1.00 43.52 O ATOM 219 ND2 ASN A 15 -5.301 10.644 5.305 1.00 74.12 N ATOM 0 H ASN A 15 -2.588 10.225 2.973 1.00 5.31 H new ATOM 0 HA ASN A 15 -2.865 12.400 3.056 1.00 23.22 H new ATOM 0 HB2 ASN A 15 -3.335 12.039 6.053 1.00 3.51 H new ATOM 0 HB3 ASN A 15 -3.746 13.474 5.135 1.00 3.51 H new ATOM 0 HD21 ASN A 15 -6.202 10.204 5.121 1.00 74.12 H new ATOM 0 HD22 ASN A 15 -4.637 10.201 5.940 1.00 74.12 H new ATOM 226 N GLY A 16 -0.140 12.019 4.521 1.00 34.51 N ATOM 227 CA GLY A 16 1.143 12.615 4.884 1.00 35.51 C ATOM 228 C GLY A 16 1.794 11.981 6.116 1.00 62.23 C ATOM 229 O GLY A 16 2.926 12.321 6.462 1.00 32.13 O ATOM 0 H GLY A 16 -0.111 11.012 4.361 1.00 34.51 H new ATOM 0 HA2 GLY A 16 1.826 12.527 4.039 1.00 35.51 H new ATOM 0 HA3 GLY A 16 0.999 13.680 5.068 1.00 35.51 H new ATOM 233 N LYS A 17 1.083 11.075 6.789 1.00 4.51 N ATOM 234 CA LYS A 17 1.638 10.371 7.958 1.00 14.42 C ATOM 235 C LYS A 17 1.927 8.893 7.639 1.00 1.22 C ATOM 236 O LYS A 17 1.052 8.164 7.172 1.00 10.42 O ATOM 237 CB LYS A 17 0.675 10.469 9.162 1.00 1.12 C ATOM 238 CG LYS A 17 -0.705 9.859 8.917 1.00 63.43 C ATOM 239 CD LYS A 17 -1.560 9.808 10.184 1.00 12.44 C ATOM 240 CE LYS A 17 -1.837 11.197 10.748 1.00 71.50 C ATOM 241 NZ LYS A 17 -2.728 11.145 11.939 1.00 0.22 N ATOM 0 H LYS A 17 0.127 10.809 6.551 1.00 4.51 H new ATOM 0 HA LYS A 17 2.580 10.856 8.215 1.00 14.42 H new ATOM 0 HB2 LYS A 17 1.132 9.973 10.018 1.00 1.12 H new ATOM 0 HB3 LYS A 17 0.553 11.519 9.430 1.00 1.12 H new ATOM 0 HG2 LYS A 17 -1.225 10.440 8.156 1.00 63.43 H new ATOM 0 HG3 LYS A 17 -0.587 8.850 8.522 1.00 63.43 H new ATOM 0 HD2 LYS A 17 -2.505 9.312 9.963 1.00 12.44 H new ATOM 0 HD3 LYS A 17 -1.053 9.206 10.938 1.00 12.44 H new ATOM 0 HE2 LYS A 17 -0.895 11.673 11.020 1.00 71.50 H new ATOM 0 HE3 LYS A 17 -2.296 11.817 9.978 1.00 71.50 H new ATOM 0 HZ1 LYS A 17 -2.892 12.109 12.292 1.00 0.22 H new ATOM 0 HZ2 LYS A 17 -3.637 10.714 11.674 1.00 0.22 H new ATOM 0 HZ3 LYS A 17 -2.279 10.575 12.684 1.00 0.22 H new ATOM 255 N VAL A 18 3.156 8.449 7.894 1.00 21.13 N ATOM 256 CA VAL A 18 3.521 7.041 7.694 1.00 3.43 C ATOM 257 C VAL A 18 2.847 6.146 8.747 1.00 53.32 C ATOM 258 O VAL A 18 3.162 6.215 9.940 1.00 2.41 O ATOM 259 CB VAL A 18 5.058 6.838 7.738 1.00 75.35 C ATOM 260 CG1 VAL A 18 5.418 5.358 7.584 1.00 62.22 C ATOM 261 CG2 VAL A 18 5.744 7.677 6.660 1.00 72.05 C ATOM 0 H VAL A 18 3.915 9.037 8.238 1.00 21.13 H new ATOM 0 HA VAL A 18 3.167 6.754 6.704 1.00 3.43 H new ATOM 0 HB VAL A 18 5.416 7.173 8.711 1.00 75.35 H new ATOM 0 HG11 VAL A 18 6.501 5.242 7.618 1.00 62.22 H new ATOM 0 HG12 VAL A 18 4.966 4.787 8.395 1.00 62.22 H new ATOM 0 HG13 VAL A 18 5.043 4.990 6.629 1.00 62.22 H new ATOM 0 HG21 VAL A 18 6.822 7.520 6.708 1.00 72.05 H new ATOM 0 HG22 VAL A 18 5.377 7.378 5.678 1.00 72.05 H new ATOM 0 HG23 VAL A 18 5.523 8.732 6.824 1.00 72.05 H new ATOM 271 N ILE A 19 1.911 5.312 8.298 1.00 72.13 N ATOM 272 CA ILE A 19 1.117 4.473 9.206 1.00 0.45 C ATOM 273 C ILE A 19 1.592 3.011 9.231 1.00 14.52 C ATOM 274 O ILE A 19 1.355 2.293 10.204 1.00 53.01 O ATOM 275 CB ILE A 19 -0.388 4.509 8.832 1.00 12.54 C ATOM 276 CG1 ILE A 19 -0.602 4.005 7.392 1.00 1.51 C ATOM 277 CG2 ILE A 19 -0.946 5.922 9.001 1.00 23.12 C ATOM 278 CD1 ILE A 19 -2.058 3.938 6.974 1.00 64.35 C ATOM 0 H ILE A 19 1.681 5.196 7.311 1.00 72.13 H new ATOM 0 HA ILE A 19 1.260 4.894 10.201 1.00 0.45 H new ATOM 0 HB ILE A 19 -0.928 3.845 9.507 1.00 12.54 H new ATOM 0 HG12 ILE A 19 -0.067 4.660 6.705 1.00 1.51 H new ATOM 0 HG13 ILE A 19 -0.161 3.013 7.295 1.00 1.51 H new ATOM 0 HG21 ILE A 19 -2.003 5.930 8.735 1.00 23.12 H new ATOM 0 HG22 ILE A 19 -0.831 6.237 10.038 1.00 23.12 H new ATOM 0 HG23 ILE A 19 -0.403 6.608 8.351 1.00 23.12 H new ATOM 0 HD11 ILE A 19 -2.126 3.574 5.949 1.00 64.35 H new ATOM 0 HD12 ILE A 19 -2.596 3.259 7.636 1.00 64.35 H new ATOM 0 HD13 ILE A 19 -2.501 4.932 7.036 1.00 64.35 H new ATOM 290 N ARG A 20 2.262 2.570 8.168 1.00 54.30 N ATOM 291 CA ARG A 20 2.670 1.163 8.041 1.00 42.52 C ATOM 292 C ARG A 20 3.929 1.014 7.171 1.00 13.53 C ATOM 293 O ARG A 20 4.047 1.647 6.130 1.00 24.24 O ATOM 294 CB ARG A 20 1.515 0.348 7.426 1.00 62.40 C ATOM 295 CG ARG A 20 1.793 -1.151 7.259 1.00 15.23 C ATOM 296 CD ARG A 20 1.695 -1.926 8.578 1.00 33.01 C ATOM 297 NE ARG A 20 2.683 -1.485 9.562 1.00 73.24 N ATOM 298 CZ ARG A 20 3.771 -2.141 9.865 1.00 60.01 C ATOM 299 NH1 ARG A 20 4.031 -3.289 9.323 1.00 24.24 N ATOM 300 NH2 ARG A 20 4.593 -1.651 10.733 1.00 10.32 N ATOM 0 H ARG A 20 2.535 3.160 7.382 1.00 54.30 H new ATOM 0 HA ARG A 20 2.906 0.787 9.037 1.00 42.52 H new ATOM 0 HB2 ARG A 20 0.631 0.470 8.052 1.00 62.40 H new ATOM 0 HB3 ARG A 20 1.274 0.768 6.449 1.00 62.40 H new ATOM 0 HG2 ARG A 20 1.085 -1.569 6.544 1.00 15.23 H new ATOM 0 HG3 ARG A 20 2.789 -1.286 6.837 1.00 15.23 H new ATOM 0 HD2 ARG A 20 0.694 -1.805 8.993 1.00 33.01 H new ATOM 0 HD3 ARG A 20 1.832 -2.989 8.382 1.00 33.01 H new ATOM 0 HE ARG A 20 2.510 -0.604 10.045 1.00 73.24 H new ATOM 0 HH11 ARG A 20 3.381 -3.693 8.649 1.00 24.24 H new ATOM 0 HH12 ARG A 20 4.885 -3.788 9.571 1.00 24.24 H new ATOM 0 HH21 ARG A 20 4.391 -0.756 11.178 1.00 10.32 H new ATOM 0 HH22 ARG A 20 5.444 -2.159 10.973 1.00 10.32 H new ATOM 314 N GLU A 21 4.866 0.178 7.612 1.00 63.21 N ATOM 315 CA GLU A 21 6.060 -0.154 6.820 1.00 50.22 C ATOM 316 C GLU A 21 6.260 -1.678 6.766 1.00 73.51 C ATOM 317 O GLU A 21 6.499 -2.319 7.791 1.00 72.10 O ATOM 318 CB GLU A 21 7.306 0.531 7.409 1.00 22.22 C ATOM 319 CG GLU A 21 7.275 2.055 7.308 1.00 13.40 C ATOM 320 CD GLU A 21 8.462 2.718 7.990 1.00 1.33 C ATOM 321 OE1 GLU A 21 9.544 2.804 7.372 1.00 71.22 O ATOM 322 OE2 GLU A 21 8.315 3.162 9.151 1.00 61.21 O ATOM 0 H GLU A 21 4.826 -0.287 8.519 1.00 63.21 H new ATOM 0 HA GLU A 21 5.913 0.213 5.804 1.00 50.22 H new ATOM 0 HB2 GLU A 21 7.405 0.247 8.457 1.00 22.22 H new ATOM 0 HB3 GLU A 21 8.192 0.160 6.894 1.00 22.22 H new ATOM 0 HG2 GLU A 21 7.258 2.344 6.257 1.00 13.40 H new ATOM 0 HG3 GLU A 21 6.352 2.425 7.755 1.00 13.40 H new ATOM 329 N ILE A 22 6.143 -2.253 5.570 1.00 72.40 N ATOM 330 CA ILE A 22 6.217 -3.713 5.400 1.00 13.11 C ATOM 331 C ILE A 22 7.439 -4.138 4.566 1.00 35.33 C ATOM 332 O ILE A 22 7.621 -3.683 3.435 1.00 22.20 O ATOM 333 CB ILE A 22 4.933 -4.267 4.722 1.00 34.11 C ATOM 334 CG1 ILE A 22 3.689 -3.926 5.563 1.00 75.42 C ATOM 335 CG2 ILE A 22 5.040 -5.781 4.506 1.00 64.03 C ATOM 336 CD1 ILE A 22 2.390 -4.412 4.955 1.00 63.54 C ATOM 0 H ILE A 22 5.997 -1.736 4.703 1.00 72.40 H new ATOM 0 HA ILE A 22 6.313 -4.131 6.402 1.00 13.11 H new ATOM 0 HB ILE A 22 4.831 -3.792 3.746 1.00 34.11 H new ATOM 0 HG12 ILE A 22 3.801 -4.363 6.555 1.00 75.42 H new ATOM 0 HG13 ILE A 22 3.636 -2.845 5.695 1.00 75.42 H new ATOM 0 HG21 ILE A 22 4.130 -6.146 4.030 1.00 64.03 H new ATOM 0 HG22 ILE A 22 5.896 -5.998 3.866 1.00 64.03 H new ATOM 0 HG23 ILE A 22 5.171 -6.277 5.468 1.00 64.03 H new ATOM 0 HD11 ILE A 22 1.559 -4.135 5.603 1.00 63.54 H new ATOM 0 HD12 ILE A 22 2.254 -3.955 3.975 1.00 63.54 H new ATOM 0 HD13 ILE A 22 2.421 -5.496 4.848 1.00 63.54 H new ATOM 348 N PRO A 23 8.295 -5.027 5.111 1.00 13.32 N ATOM 349 CA PRO A 23 9.410 -5.612 4.349 1.00 44.42 C ATOM 350 C PRO A 23 8.917 -6.637 3.313 1.00 32.14 C ATOM 351 O PRO A 23 8.404 -7.700 3.669 1.00 11.20 O ATOM 352 CB PRO A 23 10.258 -6.293 5.434 1.00 72.01 C ATOM 353 CG PRO A 23 9.286 -6.625 6.518 1.00 2.55 C ATOM 354 CD PRO A 23 8.254 -5.525 6.506 1.00 51.03 C ATOM 0 HA PRO A 23 9.960 -4.868 3.773 1.00 44.42 H new ATOM 0 HB2 PRO A 23 10.746 -7.189 5.051 1.00 72.01 H new ATOM 0 HB3 PRO A 23 11.045 -5.631 5.796 1.00 72.01 H new ATOM 0 HG2 PRO A 23 8.823 -7.596 6.342 1.00 2.55 H new ATOM 0 HG3 PRO A 23 9.785 -6.681 7.485 1.00 2.55 H new ATOM 0 HD2 PRO A 23 7.265 -5.900 6.769 1.00 51.03 H new ATOM 0 HD3 PRO A 23 8.497 -4.738 7.220 1.00 51.03 H new ATOM 362 N LEU A 24 9.060 -6.310 2.028 1.00 35.35 N ATOM 363 CA LEU A 24 8.563 -7.174 0.952 1.00 34.32 C ATOM 364 C LEU A 24 9.491 -8.377 0.720 1.00 71.22 C ATOM 365 O LEU A 24 9.066 -9.529 0.800 1.00 35.55 O ATOM 366 CB LEU A 24 8.406 -6.368 -0.343 1.00 64.14 C ATOM 367 CG LEU A 24 7.449 -5.166 -0.259 1.00 14.55 C ATOM 368 CD1 LEU A 24 7.374 -4.433 -1.597 1.00 33.02 C ATOM 369 CD2 LEU A 24 6.057 -5.610 0.195 1.00 53.01 C ATOM 0 H LEU A 24 9.514 -5.456 1.706 1.00 35.35 H new ATOM 0 HA LEU A 24 7.589 -7.559 1.255 1.00 34.32 H new ATOM 0 HB2 LEU A 24 9.388 -6.008 -0.649 1.00 64.14 H new ATOM 0 HB3 LEU A 24 8.054 -7.038 -1.128 1.00 64.14 H new ATOM 0 HG LEU A 24 7.844 -4.473 0.484 1.00 14.55 H new ATOM 0 HD11 LEU A 24 6.691 -3.588 -1.511 1.00 33.02 H new ATOM 0 HD12 LEU A 24 8.366 -4.072 -1.870 1.00 33.02 H new ATOM 0 HD13 LEU A 24 7.012 -5.115 -2.366 1.00 33.02 H new ATOM 0 HD21 LEU A 24 5.398 -4.744 0.247 1.00 53.01 H new ATOM 0 HD22 LEU A 24 5.654 -6.330 -0.517 1.00 53.01 H new ATOM 0 HD23 LEU A 24 6.126 -6.073 1.179 1.00 53.01 H new ATOM 381 N THR A 25 10.759 -8.103 0.435 1.00 12.44 N ATOM 382 CA THR A 25 11.748 -9.164 0.218 1.00 74.22 C ATOM 383 C THR A 25 11.940 -10.023 1.475 1.00 14.33 C ATOM 384 O THR A 25 12.291 -9.515 2.543 1.00 14.44 O ATOM 385 CB THR A 25 13.114 -8.586 -0.196 1.00 54.31 C ATOM 386 OG1 THR A 25 12.942 -7.661 -1.281 1.00 14.23 O ATOM 387 CG2 THR A 25 14.076 -9.697 -0.607 1.00 35.55 C ATOM 0 H THR A 25 11.131 -7.157 0.348 1.00 12.44 H new ATOM 0 HA THR A 25 11.358 -9.786 -0.588 1.00 74.22 H new ATOM 0 HB THR A 25 13.541 -8.065 0.661 1.00 54.31 H new ATOM 0 HG1 THR A 25 13.746 -7.660 -1.841 1.00 14.23 H new ATOM 0 HG21 THR A 25 15.033 -9.262 -0.895 1.00 35.55 H new ATOM 0 HG22 THR A 25 14.224 -10.378 0.231 1.00 35.55 H new ATOM 0 HG23 THR A 25 13.659 -10.246 -1.451 1.00 35.55 H new ATOM 395 N GLY A 26 11.723 -11.329 1.336 1.00 54.10 N ATOM 396 CA GLY A 26 11.799 -12.231 2.479 1.00 11.33 C ATOM 397 C GLY A 26 10.448 -12.437 3.161 1.00 71.13 C ATOM 398 O GLY A 26 10.298 -13.329 3.997 1.00 25.33 O ATOM 0 H GLY A 26 11.495 -11.782 0.451 1.00 54.10 H new ATOM 0 HA2 GLY A 26 12.186 -13.196 2.150 1.00 11.33 H new ATOM 0 HA3 GLY A 26 12.510 -11.833 3.203 1.00 11.33 H new ATOM 402 N HIS A 27 9.462 -11.612 2.802 1.00 41.10 N ATOM 403 CA HIS A 27 8.103 -11.731 3.346 1.00 50.43 C ATOM 404 C HIS A 27 7.437 -13.025 2.849 1.00 41.32 C ATOM 405 O HIS A 27 7.437 -13.316 1.654 1.00 15.35 O ATOM 406 CB HIS A 27 7.278 -10.505 2.931 1.00 43.42 C ATOM 407 CG HIS A 27 5.932 -10.396 3.583 1.00 2.32 C ATOM 408 ND1 HIS A 27 4.791 -10.954 3.053 1.00 44.12 N ATOM 409 CD2 HIS A 27 5.545 -9.766 4.718 1.00 2.30 C ATOM 410 CE1 HIS A 27 3.764 -10.674 3.831 1.00 13.12 C ATOM 411 NE2 HIS A 27 4.191 -9.954 4.848 1.00 13.02 N ATOM 0 H HIS A 27 9.578 -10.850 2.134 1.00 41.10 H new ATOM 0 HA HIS A 27 8.154 -11.774 4.434 1.00 50.43 H new ATOM 0 HB2 HIS A 27 7.850 -9.606 3.161 1.00 43.42 H new ATOM 0 HB3 HIS A 27 7.141 -10.527 1.850 1.00 43.42 H new ATOM 0 HD1 HIS A 27 4.747 -11.499 2.192 1.00 44.12 H new ATOM 0 HD2 HIS A 27 6.183 -9.218 5.395 1.00 2.30 H new ATOM 0 HE1 HIS A 27 2.743 -10.983 3.663 1.00 13.12 H new ATOM 420 N LYS A 28 6.891 -13.815 3.766 1.00 34.20 N ATOM 421 CA LYS A 28 6.278 -15.102 3.413 1.00 13.23 C ATOM 422 C LYS A 28 4.792 -15.138 3.803 1.00 52.13 C ATOM 423 O LYS A 28 4.414 -14.706 4.893 1.00 2.31 O ATOM 424 CB LYS A 28 7.046 -16.246 4.096 1.00 75.31 C ATOM 425 CG LYS A 28 8.537 -16.317 3.721 1.00 74.30 C ATOM 426 CD LYS A 28 8.817 -17.231 2.521 1.00 11.03 C ATOM 427 CE LYS A 28 8.155 -16.759 1.225 1.00 32.13 C ATOM 428 NZ LYS A 28 8.693 -15.458 0.739 1.00 10.25 N ATOM 0 H LYS A 28 6.857 -13.592 4.761 1.00 34.20 H new ATOM 0 HA LYS A 28 6.336 -15.228 2.332 1.00 13.23 H new ATOM 0 HB2 LYS A 28 6.960 -16.132 5.177 1.00 75.31 H new ATOM 0 HB3 LYS A 28 6.572 -17.193 3.836 1.00 75.31 H new ATOM 0 HG2 LYS A 28 8.896 -15.313 3.496 1.00 74.30 H new ATOM 0 HG3 LYS A 28 9.104 -16.673 4.581 1.00 74.30 H new ATOM 0 HD2 LYS A 28 9.894 -17.295 2.367 1.00 11.03 H new ATOM 0 HD3 LYS A 28 8.468 -18.237 2.752 1.00 11.03 H new ATOM 0 HE2 LYS A 28 8.297 -17.516 0.454 1.00 32.13 H new ATOM 0 HE3 LYS A 28 7.081 -16.665 1.385 1.00 32.13 H new ATOM 0 HZ1 LYS A 28 8.804 -15.493 -0.294 1.00 10.25 H new ATOM 0 HZ2 LYS A 28 8.034 -14.694 0.991 1.00 10.25 H new ATOM 0 HZ3 LYS A 28 9.617 -15.278 1.181 1.00 10.25 H new ATOM 442 N GLY A 29 3.958 -15.654 2.905 1.00 31.05 N ATOM 443 CA GLY A 29 2.516 -15.688 3.134 1.00 70.33 C ATOM 444 C GLY A 29 1.797 -14.480 2.548 1.00 2.02 C ATOM 445 O GLY A 29 2.402 -13.662 1.852 1.00 73.14 O ATOM 0 H GLY A 29 4.254 -16.053 2.014 1.00 31.05 H new ATOM 0 HA2 GLY A 29 2.105 -16.598 2.696 1.00 70.33 H new ATOM 0 HA3 GLY A 29 2.324 -15.735 4.206 1.00 70.33 H new ATOM 449 N ASN A 30 0.510 -14.346 2.845 1.00 34.00 N ATOM 450 CA ASN A 30 -0.296 -13.241 2.316 1.00 61.13 C ATOM 451 C ASN A 30 -0.800 -12.352 3.467 1.00 34.31 C ATOM 452 O ASN A 30 -1.390 -12.842 4.434 1.00 44.00 O ATOM 453 CB ASN A 30 -1.477 -13.795 1.505 1.00 0.13 C ATOM 454 CG ASN A 30 -2.235 -12.712 0.752 1.00 13.12 C ATOM 455 OD1 ASN A 30 -3.134 -12.078 1.292 1.00 52.15 O ATOM 456 ND2 ASN A 30 -1.898 -12.508 -0.506 1.00 34.21 N ATOM 0 H ASN A 30 -0.003 -14.987 3.450 1.00 34.00 H new ATOM 0 HA ASN A 30 0.324 -12.632 1.658 1.00 61.13 H new ATOM 0 HB2 ASN A 30 -1.109 -14.535 0.795 1.00 0.13 H new ATOM 0 HB3 ASN A 30 -2.163 -14.312 2.177 1.00 0.13 H new ATOM 0 HD21 ASN A 30 -2.390 -11.806 -1.058 1.00 34.21 H new ATOM 0 HD22 ASN A 30 -1.145 -13.052 -0.927 1.00 34.21 H new ATOM 463 N GLU A 31 -0.552 -11.052 3.361 1.00 3.13 N ATOM 464 CA GLU A 31 -0.893 -10.093 4.421 1.00 20.20 C ATOM 465 C GLU A 31 -1.781 -8.962 3.884 1.00 43.03 C ATOM 466 O GLU A 31 -1.367 -8.187 3.024 1.00 42.51 O ATOM 467 CB GLU A 31 0.398 -9.524 5.024 1.00 30.24 C ATOM 468 CG GLU A 31 0.186 -8.441 6.079 1.00 75.15 C ATOM 469 CD GLU A 31 1.485 -8.036 6.758 1.00 44.42 C ATOM 470 OE1 GLU A 31 2.530 -7.979 6.075 1.00 71.03 O ATOM 471 OE2 GLU A 31 1.472 -7.781 7.978 1.00 43.11 O ATOM 0 H GLU A 31 -0.111 -10.628 2.545 1.00 3.13 H new ATOM 0 HA GLU A 31 -1.458 -10.612 5.195 1.00 20.20 H new ATOM 0 HB2 GLU A 31 0.965 -10.341 5.470 1.00 30.24 H new ATOM 0 HB3 GLU A 31 1.009 -9.114 4.220 1.00 30.24 H new ATOM 0 HG2 GLU A 31 -0.266 -7.566 5.612 1.00 75.15 H new ATOM 0 HG3 GLU A 31 -0.517 -8.801 6.830 1.00 75.15 H new ATOM 478 N GLN A 32 -3.003 -8.867 4.403 1.00 13.14 N ATOM 479 CA GLN A 32 -3.985 -7.891 3.916 1.00 10.21 C ATOM 480 C GLN A 32 -4.332 -6.859 5.003 1.00 14.43 C ATOM 481 O GLN A 32 -4.559 -7.216 6.162 1.00 41.32 O ATOM 482 CB GLN A 32 -5.259 -8.625 3.465 1.00 63.30 C ATOM 483 CG GLN A 32 -4.982 -9.881 2.639 1.00 12.01 C ATOM 484 CD GLN A 32 -6.247 -10.597 2.196 1.00 32.25 C ATOM 485 OE1 GLN A 32 -6.798 -11.417 2.924 1.00 73.51 O ATOM 486 NE2 GLN A 32 -6.700 -10.325 0.989 1.00 5.30 N ATOM 0 H GLN A 32 -3.341 -9.455 5.164 1.00 13.14 H new ATOM 0 HA GLN A 32 -3.549 -7.357 3.072 1.00 10.21 H new ATOM 0 HB2 GLN A 32 -5.841 -8.900 4.345 1.00 63.30 H new ATOM 0 HB3 GLN A 32 -5.873 -7.942 2.878 1.00 63.30 H new ATOM 0 HG2 GLN A 32 -4.400 -9.608 1.759 1.00 12.01 H new ATOM 0 HG3 GLN A 32 -4.371 -10.567 3.226 1.00 12.01 H new ATOM 0 HE21 GLN A 32 -6.220 -9.638 0.407 1.00 5.30 H new ATOM 0 HE22 GLN A 32 -7.530 -10.801 0.637 1.00 5.30 H new ATOM 495 N PHE A 33 -4.373 -5.582 4.630 1.00 43.53 N ATOM 496 CA PHE A 33 -4.749 -4.511 5.561 1.00 52.03 C ATOM 497 C PHE A 33 -5.529 -3.403 4.836 1.00 2.04 C ATOM 498 O PHE A 33 -5.209 -3.040 3.703 1.00 40.14 O ATOM 499 CB PHE A 33 -3.510 -3.940 6.276 1.00 2.40 C ATOM 500 CG PHE A 33 -2.475 -3.328 5.365 1.00 55.42 C ATOM 501 CD1 PHE A 33 -1.615 -4.133 4.629 1.00 4.22 C ATOM 502 CD2 PHE A 33 -2.349 -1.949 5.257 1.00 12.54 C ATOM 503 CE1 PHE A 33 -0.656 -3.576 3.807 1.00 34.05 C ATOM 504 CE2 PHE A 33 -1.391 -1.388 4.434 1.00 45.51 C ATOM 505 CZ PHE A 33 -0.544 -2.202 3.709 1.00 2.53 C ATOM 0 H PHE A 33 -4.151 -5.259 3.688 1.00 43.53 H new ATOM 0 HA PHE A 33 -5.403 -4.939 6.320 1.00 52.03 H new ATOM 0 HB2 PHE A 33 -3.837 -3.184 6.990 1.00 2.40 H new ATOM 0 HB3 PHE A 33 -3.040 -4.738 6.850 1.00 2.40 H new ATOM 0 HD1 PHE A 33 -1.698 -5.207 4.701 1.00 4.22 H new ATOM 0 HD2 PHE A 33 -3.008 -1.307 5.823 1.00 12.54 H new ATOM 0 HE1 PHE A 33 0.007 -4.214 3.241 1.00 34.05 H new ATOM 0 HE2 PHE A 33 -1.305 -0.314 4.358 1.00 45.51 H new ATOM 0 HZ PHE A 33 0.206 -1.765 3.066 1.00 2.53 H new ATOM 515 N THR A 34 -6.558 -2.873 5.495 1.00 24.20 N ATOM 516 CA THR A 34 -7.461 -1.893 4.871 1.00 72.55 C ATOM 517 C THR A 34 -7.185 -0.467 5.362 1.00 2.32 C ATOM 518 O THR A 34 -7.470 -0.125 6.512 1.00 24.23 O ATOM 519 CB THR A 34 -8.946 -2.244 5.148 1.00 74.03 C ATOM 520 OG1 THR A 34 -9.220 -3.591 4.730 1.00 72.53 O ATOM 521 CG2 THR A 34 -9.886 -1.287 4.416 1.00 13.51 C ATOM 0 H THR A 34 -6.792 -3.102 6.461 1.00 24.20 H new ATOM 0 HA THR A 34 -7.271 -1.937 3.799 1.00 72.55 H new ATOM 0 HB THR A 34 -9.117 -2.148 6.220 1.00 74.03 H new ATOM 0 HG1 THR A 34 -10.159 -3.805 4.910 1.00 72.53 H new ATOM 0 HG21 THR A 34 -10.920 -1.558 4.629 1.00 13.51 H new ATOM 0 HG22 THR A 34 -9.701 -0.267 4.753 1.00 13.51 H new ATOM 0 HG23 THR A 34 -9.708 -1.352 3.343 1.00 13.51 H new ATOM 529 N ILE A 35 -6.633 0.363 4.486 1.00 12.15 N ATOM 530 CA ILE A 35 -6.347 1.764 4.807 1.00 51.40 C ATOM 531 C ILE A 35 -7.613 2.628 4.684 1.00 21.42 C ATOM 532 O ILE A 35 -7.997 3.042 3.589 1.00 55.30 O ATOM 533 CB ILE A 35 -5.245 2.344 3.882 1.00 12.21 C ATOM 534 CG1 ILE A 35 -3.976 1.484 3.951 1.00 32.04 C ATOM 535 CG2 ILE A 35 -4.933 3.793 4.254 1.00 22.05 C ATOM 536 CD1 ILE A 35 -2.883 1.931 3.002 1.00 61.30 C ATOM 0 H ILE A 35 -6.371 0.091 3.538 1.00 12.15 H new ATOM 0 HA ILE A 35 -5.992 1.787 5.837 1.00 51.40 H new ATOM 0 HB ILE A 35 -5.616 2.328 2.857 1.00 12.21 H new ATOM 0 HG12 ILE A 35 -3.590 1.503 4.970 1.00 32.04 H new ATOM 0 HG13 ILE A 35 -4.237 0.449 3.729 1.00 32.04 H new ATOM 0 HG21 ILE A 35 -4.158 4.180 3.593 1.00 22.05 H new ATOM 0 HG22 ILE A 35 -5.834 4.398 4.149 1.00 22.05 H new ATOM 0 HG23 ILE A 35 -4.585 3.837 5.286 1.00 22.05 H new ATOM 0 HD11 ILE A 35 -2.019 1.276 3.108 1.00 61.30 H new ATOM 0 HD12 ILE A 35 -3.250 1.885 1.977 1.00 61.30 H new ATOM 0 HD13 ILE A 35 -2.593 2.955 3.237 1.00 61.30 H new ATOM 548 N LYS A 36 -8.274 2.878 5.808 1.00 24.31 N ATOM 549 CA LYS A 36 -9.485 3.704 5.821 1.00 75.13 C ATOM 550 C LYS A 36 -9.137 5.199 5.857 1.00 73.41 C ATOM 551 O LYS A 36 -8.710 5.729 6.890 1.00 44.11 O ATOM 552 CB LYS A 36 -10.370 3.322 7.018 1.00 72.44 C ATOM 553 CG LYS A 36 -10.856 1.875 6.972 1.00 54.24 C ATOM 554 CD LYS A 36 -11.724 1.521 8.177 1.00 64.41 C ATOM 555 CE LYS A 36 -12.254 0.093 8.084 1.00 60.04 C ATOM 556 NZ LYS A 36 -13.124 -0.258 9.237 1.00 14.31 N ATOM 0 H LYS A 36 -7.996 2.523 6.723 1.00 24.31 H new ATOM 0 HA LYS A 36 -10.038 3.516 4.901 1.00 75.13 H new ATOM 0 HB2 LYS A 36 -9.811 3.481 7.940 1.00 72.44 H new ATOM 0 HB3 LYS A 36 -11.233 3.987 7.050 1.00 72.44 H new ATOM 0 HG2 LYS A 36 -11.425 1.713 6.056 1.00 54.24 H new ATOM 0 HG3 LYS A 36 -9.997 1.206 6.936 1.00 54.24 H new ATOM 0 HD2 LYS A 36 -11.143 1.636 9.092 1.00 64.41 H new ATOM 0 HD3 LYS A 36 -12.560 2.217 8.242 1.00 64.41 H new ATOM 0 HE2 LYS A 36 -12.816 -0.025 7.158 1.00 60.04 H new ATOM 0 HE3 LYS A 36 -11.416 -0.602 8.039 1.00 60.04 H new ATOM 0 HZ1 LYS A 36 -13.461 -1.236 9.132 1.00 14.31 H new ATOM 0 HZ2 LYS A 36 -12.582 -0.171 10.120 1.00 14.31 H new ATOM 0 HZ3 LYS A 36 -13.939 0.388 9.266 1.00 14.31 H new ATOM 570 N GLY A 37 -9.280 5.865 4.710 1.00 45.35 N ATOM 571 CA GLY A 37 -9.003 7.292 4.623 1.00 52.10 C ATOM 572 C GLY A 37 -10.133 8.154 5.173 1.00 30.32 C ATOM 573 O GLY A 37 -10.809 7.773 6.126 1.00 13.40 O ATOM 0 H GLY A 37 -9.585 5.438 3.835 1.00 45.35 H new ATOM 0 HA2 GLY A 37 -8.086 7.512 5.170 1.00 52.10 H new ATOM 0 HA3 GLY A 37 -8.824 7.559 3.581 1.00 52.10 H new ATOM 577 N LYS A 38 -10.339 9.320 4.571 1.00 53.22 N ATOM 578 CA LYS A 38 -11.388 10.231 5.019 1.00 65.12 C ATOM 579 C LYS A 38 -12.776 9.751 4.563 1.00 11.42 C ATOM 580 O LYS A 38 -13.102 9.792 3.376 1.00 14.24 O ATOM 581 CB LYS A 38 -11.123 11.653 4.504 1.00 45.14 C ATOM 582 CG LYS A 38 -9.765 12.215 4.922 1.00 21.22 C ATOM 583 CD LYS A 38 -9.601 13.700 4.578 1.00 44.53 C ATOM 584 CE LYS A 38 -9.580 13.967 3.070 1.00 4.24 C ATOM 585 NZ LYS A 38 -10.912 13.780 2.431 1.00 43.12 N ATOM 0 H LYS A 38 -9.797 9.656 3.775 1.00 53.22 H new ATOM 0 HA LYS A 38 -11.375 10.243 6.109 1.00 65.12 H new ATOM 0 HB2 LYS A 38 -11.187 11.654 3.416 1.00 45.14 H new ATOM 0 HB3 LYS A 38 -11.908 12.315 4.870 1.00 45.14 H new ATOM 0 HG2 LYS A 38 -9.637 12.080 5.996 1.00 21.22 H new ATOM 0 HG3 LYS A 38 -8.975 11.645 4.433 1.00 21.22 H new ATOM 0 HD2 LYS A 38 -10.417 14.264 5.030 1.00 44.53 H new ATOM 0 HD3 LYS A 38 -8.675 14.069 5.020 1.00 44.53 H new ATOM 0 HE2 LYS A 38 -9.236 14.986 2.891 1.00 4.24 H new ATOM 0 HE3 LYS A 38 -8.859 13.300 2.598 1.00 4.24 H new ATOM 0 HZ1 LYS A 38 -10.914 12.895 1.885 1.00 43.12 H new ATOM 0 HZ2 LYS A 38 -11.646 13.734 3.166 1.00 43.12 H new ATOM 0 HZ3 LYS A 38 -11.107 14.580 1.795 1.00 43.12 H new ATOM 599 N GLY A 39 -13.578 9.273 5.513 1.00 70.42 N ATOM 600 CA GLY A 39 -14.928 8.815 5.199 1.00 45.31 C ATOM 601 C GLY A 39 -14.968 7.431 4.547 1.00 24.41 C ATOM 602 O GLY A 39 -14.367 6.482 5.047 1.00 63.42 O ATOM 0 H GLY A 39 -13.319 9.194 6.496 1.00 70.42 H new ATOM 0 HA2 GLY A 39 -15.518 8.793 6.115 1.00 45.31 H new ATOM 0 HA3 GLY A 39 -15.402 9.536 4.532 1.00 45.31 H new ATOM 606 N ALA A 40 -15.674 7.321 3.421 1.00 53.55 N ATOM 607 CA ALA A 40 -15.834 6.036 2.719 1.00 53.44 C ATOM 608 C ALA A 40 -14.625 5.704 1.825 1.00 13.23 C ATOM 609 O ALA A 40 -14.624 4.698 1.109 1.00 14.24 O ATOM 610 CB ALA A 40 -17.112 6.061 1.882 1.00 3.10 C ATOM 0 H ALA A 40 -16.147 8.105 2.971 1.00 53.55 H new ATOM 0 HA ALA A 40 -15.901 5.254 3.476 1.00 53.44 H new ATOM 0 HB1 ALA A 40 -17.227 5.109 1.364 1.00 3.10 H new ATOM 0 HB2 ALA A 40 -17.970 6.226 2.533 1.00 3.10 H new ATOM 0 HB3 ALA A 40 -17.052 6.867 1.150 1.00 3.10 H new ATOM 616 N GLN A 41 -13.595 6.545 1.874 1.00 2.33 N ATOM 617 CA GLN A 41 -12.412 6.372 1.022 1.00 1.41 C ATOM 618 C GLN A 41 -11.436 5.327 1.587 1.00 40.43 C ATOM 619 O GLN A 41 -10.367 5.665 2.102 1.00 63.31 O ATOM 620 CB GLN A 41 -11.704 7.722 0.824 1.00 61.51 C ATOM 621 CG GLN A 41 -12.563 8.766 0.116 1.00 55.53 C ATOM 622 CD GLN A 41 -12.799 8.461 -1.358 1.00 73.34 C ATOM 623 OE1 GLN A 41 -12.788 7.310 -1.788 1.00 13.13 O ATOM 624 NE2 GLN A 41 -13.013 9.493 -2.147 1.00 11.12 N ATOM 0 H GLN A 41 -13.552 7.354 2.493 1.00 2.33 H new ATOM 0 HA GLN A 41 -12.753 5.999 0.056 1.00 1.41 H new ATOM 0 HB2 GLN A 41 -11.403 8.111 1.797 1.00 61.51 H new ATOM 0 HB3 GLN A 41 -10.792 7.563 0.248 1.00 61.51 H new ATOM 0 HG2 GLN A 41 -13.525 8.837 0.623 1.00 55.53 H new ATOM 0 HG3 GLN A 41 -12.083 9.741 0.205 1.00 55.53 H new ATOM 0 HE21 GLN A 41 -13.016 10.437 -1.762 1.00 11.12 H new ATOM 0 HE22 GLN A 41 -13.175 9.348 -3.144 1.00 11.12 H new ATOM 633 N TYR A 42 -11.807 4.055 1.481 1.00 11.13 N ATOM 634 CA TYR A 42 -10.959 2.953 1.957 1.00 62.22 C ATOM 635 C TYR A 42 -9.999 2.458 0.863 1.00 12.33 C ATOM 636 O TYR A 42 -10.256 2.628 -0.331 1.00 61.24 O ATOM 637 CB TYR A 42 -11.831 1.783 2.441 1.00 44.10 C ATOM 638 CG TYR A 42 -12.636 1.114 1.334 1.00 32.12 C ATOM 639 CD1 TYR A 42 -13.885 1.602 0.959 1.00 13.41 C ATOM 640 CD2 TYR A 42 -12.144 -0.006 0.664 1.00 13.25 C ATOM 641 CE1 TYR A 42 -14.614 1.000 -0.048 1.00 11.23 C ATOM 642 CE2 TYR A 42 -12.871 -0.609 -0.344 1.00 2.55 C ATOM 643 CZ TYR A 42 -14.105 -0.104 -0.694 1.00 72.22 C ATOM 644 OH TYR A 42 -14.832 -0.704 -1.699 1.00 54.33 O ATOM 0 H TYR A 42 -12.691 3.755 1.069 1.00 11.13 H new ATOM 0 HA TYR A 42 -10.362 3.336 2.785 1.00 62.22 H new ATOM 0 HB2 TYR A 42 -11.192 1.037 2.913 1.00 44.10 H new ATOM 0 HB3 TYR A 42 -12.517 2.146 3.207 1.00 44.10 H new ATOM 0 HD1 TYR A 42 -14.291 2.466 1.464 1.00 13.41 H new ATOM 0 HD2 TYR A 42 -11.180 -0.408 0.938 1.00 13.25 H new ATOM 0 HE1 TYR A 42 -15.580 1.394 -0.328 1.00 11.23 H new ATOM 0 HE2 TYR A 42 -12.474 -1.473 -0.856 1.00 2.55 H new ATOM 0 HH TYR A 42 -14.636 -1.664 -1.716 1.00 54.33 H new ATOM 654 N ASN A 43 -8.892 1.851 1.283 1.00 33.24 N ATOM 655 CA ASN A 43 -7.946 1.204 0.363 1.00 31.23 C ATOM 656 C ASN A 43 -7.579 -0.202 0.864 1.00 2.24 C ATOM 657 O ASN A 43 -6.891 -0.352 1.874 1.00 73.21 O ATOM 658 CB ASN A 43 -6.668 2.047 0.217 1.00 41.50 C ATOM 659 CG ASN A 43 -6.896 3.334 -0.553 1.00 4.51 C ATOM 660 OD1 ASN A 43 -7.241 4.365 0.017 1.00 72.32 O ATOM 661 ND2 ASN A 43 -6.702 3.285 -1.857 1.00 44.33 N ATOM 0 H ASN A 43 -8.622 1.791 2.265 1.00 33.24 H new ATOM 0 HA ASN A 43 -8.430 1.120 -0.610 1.00 31.23 H new ATOM 0 HB2 ASN A 43 -6.281 2.286 1.208 1.00 41.50 H new ATOM 0 HB3 ASN A 43 -5.905 1.456 -0.290 1.00 41.50 H new ATOM 0 HD21 ASN A 43 -6.839 4.121 -2.425 1.00 44.33 H new ATOM 0 HD22 ASN A 43 -6.415 2.411 -2.297 1.00 44.33 H new ATOM 668 N LEU A 44 -8.041 -1.229 0.163 1.00 44.14 N ATOM 669 CA LEU A 44 -7.737 -2.614 0.529 1.00 24.34 C ATOM 670 C LEU A 44 -6.370 -3.041 -0.028 1.00 72.31 C ATOM 671 O LEU A 44 -6.229 -3.326 -1.221 1.00 71.53 O ATOM 672 CB LEU A 44 -8.844 -3.552 0.024 1.00 11.53 C ATOM 673 CG LEU A 44 -8.659 -5.044 0.358 1.00 63.12 C ATOM 674 CD1 LEU A 44 -8.549 -5.258 1.867 1.00 43.51 C ATOM 675 CD2 LEU A 44 -9.806 -5.871 -0.223 1.00 71.35 C ATOM 0 H LEU A 44 -8.629 -1.133 -0.665 1.00 44.14 H new ATOM 0 HA LEU A 44 -7.692 -2.680 1.616 1.00 24.34 H new ATOM 0 HB2 LEU A 44 -9.795 -3.220 0.442 1.00 11.53 H new ATOM 0 HB3 LEU A 44 -8.918 -3.447 -1.058 1.00 11.53 H new ATOM 0 HG LEU A 44 -7.727 -5.380 -0.098 1.00 63.12 H new ATOM 0 HD11 LEU A 44 -8.419 -6.320 2.075 1.00 43.51 H new ATOM 0 HD12 LEU A 44 -7.692 -4.705 2.251 1.00 43.51 H new ATOM 0 HD13 LEU A 44 -9.458 -4.902 2.352 1.00 43.51 H new ATOM 0 HD21 LEU A 44 -9.658 -6.922 0.023 1.00 71.35 H new ATOM 0 HD22 LEU A 44 -10.751 -5.529 0.199 1.00 71.35 H new ATOM 0 HD23 LEU A 44 -9.828 -5.752 -1.306 1.00 71.35 H new ATOM 687 N MET A 45 -5.367 -3.081 0.847 1.00 62.03 N ATOM 688 CA MET A 45 -3.998 -3.439 0.460 1.00 52.43 C ATOM 689 C MET A 45 -3.731 -4.933 0.691 1.00 71.43 C ATOM 690 O MET A 45 -4.148 -5.499 1.705 1.00 20.33 O ATOM 691 CB MET A 45 -2.994 -2.609 1.267 1.00 14.54 C ATOM 692 CG MET A 45 -3.209 -1.107 1.161 1.00 25.04 C ATOM 693 SD MET A 45 -2.899 -0.462 -0.493 1.00 45.23 S ATOM 694 CE MET A 45 -1.152 -0.811 -0.682 1.00 33.53 C ATOM 0 H MET A 45 -5.476 -2.868 1.839 1.00 62.03 H new ATOM 0 HA MET A 45 -3.880 -3.227 -0.603 1.00 52.43 H new ATOM 0 HB2 MET A 45 -3.055 -2.902 2.315 1.00 14.54 H new ATOM 0 HB3 MET A 45 -1.986 -2.847 0.928 1.00 14.54 H new ATOM 0 HG2 MET A 45 -4.233 -0.872 1.450 1.00 25.04 H new ATOM 0 HG3 MET A 45 -2.554 -0.601 1.870 1.00 25.04 H new ATOM 0 HE1 MET A 45 -0.737 -0.178 -1.466 1.00 33.53 H new ATOM 0 HE2 MET A 45 -0.637 -0.609 0.257 1.00 33.53 H new ATOM 0 HE3 MET A 45 -1.017 -1.858 -0.952 1.00 33.53 H new ATOM 704 N GLU A 46 -3.023 -5.561 -0.243 1.00 24.32 N ATOM 705 CA GLU A 46 -2.715 -6.992 -0.149 1.00 51.45 C ATOM 706 C GLU A 46 -1.255 -7.287 -0.529 1.00 4.55 C ATOM 707 O GLU A 46 -0.823 -7.019 -1.652 1.00 44.33 O ATOM 708 CB GLU A 46 -3.658 -7.796 -1.057 1.00 33.23 C ATOM 709 CG GLU A 46 -3.503 -9.307 -0.915 1.00 43.42 C ATOM 710 CD GLU A 46 -4.386 -10.077 -1.880 1.00 1.14 C ATOM 711 OE1 GLU A 46 -5.608 -10.160 -1.644 1.00 34.35 O ATOM 712 OE2 GLU A 46 -3.860 -10.597 -2.886 1.00 34.31 O ATOM 0 H GLU A 46 -2.650 -5.105 -1.076 1.00 24.32 H new ATOM 0 HA GLU A 46 -2.860 -7.291 0.889 1.00 51.45 H new ATOM 0 HB2 GLU A 46 -4.688 -7.522 -0.830 1.00 33.23 H new ATOM 0 HB3 GLU A 46 -3.475 -7.517 -2.095 1.00 33.23 H new ATOM 0 HG2 GLU A 46 -2.461 -9.579 -1.085 1.00 43.42 H new ATOM 0 HG3 GLU A 46 -3.746 -9.599 0.107 1.00 43.42 H new ATOM 719 N VAL A 47 -0.502 -7.834 0.417 1.00 5.10 N ATOM 720 CA VAL A 47 0.875 -8.269 0.177 1.00 22.22 C ATOM 721 C VAL A 47 0.923 -9.791 -0.021 1.00 71.34 C ATOM 722 O VAL A 47 0.679 -10.551 0.914 1.00 15.41 O ATOM 723 CB VAL A 47 1.804 -7.883 1.357 1.00 64.33 C ATOM 724 CG1 VAL A 47 3.253 -8.278 1.063 1.00 62.31 C ATOM 725 CG2 VAL A 47 1.698 -6.393 1.668 1.00 33.44 C ATOM 0 H VAL A 47 -0.825 -7.990 1.372 1.00 5.10 H new ATOM 0 HA VAL A 47 1.226 -7.765 -0.724 1.00 22.22 H new ATOM 0 HB VAL A 47 1.477 -8.435 2.238 1.00 64.33 H new ATOM 0 HG11 VAL A 47 3.885 -7.997 1.905 1.00 62.31 H new ATOM 0 HG12 VAL A 47 3.312 -9.355 0.909 1.00 62.31 H new ATOM 0 HG13 VAL A 47 3.595 -7.764 0.165 1.00 62.31 H new ATOM 0 HG21 VAL A 47 2.359 -6.147 2.499 1.00 33.44 H new ATOM 0 HG22 VAL A 47 1.989 -5.816 0.790 1.00 33.44 H new ATOM 0 HG23 VAL A 47 0.670 -6.150 1.937 1.00 33.44 H new ATOM 735 N ASP A 48 1.253 -10.232 -1.228 1.00 11.03 N ATOM 736 CA ASP A 48 1.269 -11.663 -1.553 1.00 42.22 C ATOM 737 C ASP A 48 2.709 -12.169 -1.706 1.00 32.52 C ATOM 738 O ASP A 48 3.344 -11.967 -2.735 1.00 72.43 O ATOM 739 CB ASP A 48 0.473 -11.916 -2.841 1.00 41.44 C ATOM 740 CG ASP A 48 0.381 -13.389 -3.189 1.00 14.01 C ATOM 741 OD1 ASP A 48 -0.076 -14.172 -2.333 1.00 43.24 O ATOM 742 OD2 ASP A 48 0.768 -13.773 -4.318 1.00 1.00 O ATOM 0 H ASP A 48 1.514 -9.623 -2.003 1.00 11.03 H new ATOM 0 HA ASP A 48 0.802 -12.211 -0.735 1.00 42.22 H new ATOM 0 HB2 ASP A 48 -0.532 -11.509 -2.728 1.00 41.44 H new ATOM 0 HB3 ASP A 48 0.943 -11.380 -3.666 1.00 41.44 H new ATOM 747 N GLY A 49 3.222 -12.819 -0.668 1.00 41.23 N ATOM 748 CA GLY A 49 4.612 -13.242 -0.667 1.00 13.22 C ATOM 749 C GLY A 49 5.575 -12.064 -0.537 1.00 21.23 C ATOM 750 O GLY A 49 5.632 -11.417 0.508 1.00 55.41 O ATOM 0 H GLY A 49 2.701 -13.061 0.174 1.00 41.23 H new ATOM 0 HA2 GLY A 49 4.778 -13.937 0.156 1.00 13.22 H new ATOM 0 HA3 GLY A 49 4.826 -13.783 -1.589 1.00 13.22 H new ATOM 754 N GLU A 50 6.305 -11.769 -1.609 1.00 2.31 N ATOM 755 CA GLU A 50 7.305 -10.687 -1.617 1.00 23.25 C ATOM 756 C GLU A 50 6.898 -9.556 -2.579 1.00 4.13 C ATOM 757 O GLU A 50 7.745 -8.895 -3.187 1.00 41.30 O ATOM 758 CB GLU A 50 8.672 -11.273 -2.005 1.00 63.32 C ATOM 759 CG GLU A 50 9.171 -12.330 -1.019 1.00 61.43 C ATOM 760 CD GLU A 50 10.385 -13.097 -1.516 1.00 61.53 C ATOM 761 OE1 GLU A 50 11.517 -12.604 -1.352 1.00 73.21 O ATOM 762 OE2 GLU A 50 10.209 -14.210 -2.059 1.00 30.04 O ATOM 0 H GLU A 50 6.226 -12.266 -2.496 1.00 2.31 H new ATOM 0 HA GLU A 50 7.366 -10.251 -0.620 1.00 23.25 H new ATOM 0 HB2 GLU A 50 8.603 -11.715 -2.999 1.00 63.32 H new ATOM 0 HB3 GLU A 50 9.403 -10.467 -2.065 1.00 63.32 H new ATOM 0 HG2 GLU A 50 9.419 -11.846 -0.074 1.00 61.43 H new ATOM 0 HG3 GLU A 50 8.365 -13.034 -0.815 1.00 61.43 H new ATOM 769 N ARG A 51 5.591 -9.328 -2.695 1.00 22.03 N ATOM 770 CA ARG A 51 5.039 -8.298 -3.584 1.00 62.03 C ATOM 771 C ARG A 51 3.750 -7.702 -2.993 1.00 53.31 C ATOM 772 O ARG A 51 3.009 -8.390 -2.291 1.00 22.55 O ATOM 773 CB ARG A 51 4.757 -8.915 -4.962 1.00 12.21 C ATOM 774 CG ARG A 51 3.876 -10.158 -4.881 1.00 73.32 C ATOM 775 CD ARG A 51 3.803 -10.930 -6.190 1.00 54.24 C ATOM 776 NE ARG A 51 3.004 -12.144 -6.039 1.00 72.24 N ATOM 777 CZ ARG A 51 3.287 -13.289 -6.595 1.00 44.52 C ATOM 778 NH1 ARG A 51 4.371 -13.437 -7.289 1.00 1.21 N ATOM 779 NH2 ARG A 51 2.509 -14.302 -6.400 1.00 61.14 N ATOM 0 H ARG A 51 4.883 -9.849 -2.178 1.00 22.03 H new ATOM 0 HA ARG A 51 5.766 -7.492 -3.688 1.00 62.03 H new ATOM 0 HB2 ARG A 51 4.273 -8.172 -5.596 1.00 12.21 H new ATOM 0 HB3 ARG A 51 5.702 -9.175 -5.440 1.00 12.21 H new ATOM 0 HG2 ARG A 51 4.258 -10.816 -4.100 1.00 73.32 H new ATOM 0 HG3 ARG A 51 2.869 -9.863 -4.585 1.00 73.32 H new ATOM 0 HD2 ARG A 51 3.368 -10.298 -6.965 1.00 54.24 H new ATOM 0 HD3 ARG A 51 4.809 -11.191 -6.519 1.00 54.24 H new ATOM 0 HE ARG A 51 2.167 -12.092 -5.458 1.00 72.24 H new ATOM 0 HH11 ARG A 51 5.013 -12.653 -7.405 1.00 1.21 H new ATOM 0 HH12 ARG A 51 4.582 -14.337 -7.719 1.00 1.21 H new ATOM 0 HH21 ARG A 51 1.680 -14.203 -5.814 1.00 61.14 H new ATOM 0 HH22 ARG A 51 2.724 -15.201 -6.832 1.00 61.14 H new ATOM 793 N ILE A 52 3.479 -6.432 -3.283 1.00 51.24 N ATOM 794 CA ILE A 52 2.302 -5.744 -2.726 1.00 50.52 C ATOM 795 C ILE A 52 1.393 -5.175 -3.836 1.00 31.31 C ATOM 796 O ILE A 52 1.866 -4.804 -4.908 1.00 1.35 O ATOM 797 CB ILE A 52 2.740 -4.601 -1.767 1.00 34.22 C ATOM 798 CG1 ILE A 52 1.519 -3.921 -1.121 1.00 2.52 C ATOM 799 CG2 ILE A 52 3.603 -3.578 -2.507 1.00 33.53 C ATOM 800 CD1 ILE A 52 1.875 -2.849 -0.109 1.00 24.43 C ATOM 0 H ILE A 52 4.052 -5.854 -3.898 1.00 51.24 H new ATOM 0 HA ILE A 52 1.730 -6.484 -2.167 1.00 50.52 H new ATOM 0 HB ILE A 52 3.338 -5.041 -0.969 1.00 34.22 H new ATOM 0 HG12 ILE A 52 0.906 -3.477 -1.905 1.00 2.52 H new ATOM 0 HG13 ILE A 52 0.909 -4.681 -0.631 1.00 2.52 H new ATOM 0 HG21 ILE A 52 3.899 -2.786 -1.819 1.00 33.53 H new ATOM 0 HG22 ILE A 52 4.493 -4.069 -2.900 1.00 33.53 H new ATOM 0 HG23 ILE A 52 3.032 -3.148 -3.330 1.00 33.53 H new ATOM 0 HD11 ILE A 52 0.962 -2.418 0.301 1.00 24.43 H new ATOM 0 HD12 ILE A 52 2.462 -3.290 0.697 1.00 24.43 H new ATOM 0 HD13 ILE A 52 2.458 -2.068 -0.597 1.00 24.43 H new ATOM 812 N ARG A 53 0.082 -5.128 -3.573 1.00 31.40 N ATOM 813 CA ARG A 53 -0.891 -4.574 -4.528 1.00 54.35 C ATOM 814 C ARG A 53 -2.114 -3.988 -3.808 1.00 63.20 C ATOM 815 O ARG A 53 -2.303 -4.198 -2.610 1.00 2.12 O ATOM 816 CB ARG A 53 -1.375 -5.660 -5.497 1.00 41.42 C ATOM 817 CG ARG A 53 -2.197 -6.761 -4.823 1.00 71.22 C ATOM 818 CD ARG A 53 -2.936 -7.622 -5.842 1.00 31.20 C ATOM 819 NE ARG A 53 -3.698 -8.701 -5.212 1.00 32.10 N ATOM 820 CZ ARG A 53 -4.575 -9.441 -5.840 1.00 61.13 C ATOM 821 NH1 ARG A 53 -4.812 -9.258 -7.100 1.00 74.20 N ATOM 822 NH2 ARG A 53 -5.208 -10.371 -5.204 1.00 15.43 N ATOM 0 H ARG A 53 -0.333 -5.467 -2.705 1.00 31.40 H new ATOM 0 HA ARG A 53 -0.382 -3.781 -5.076 1.00 54.35 H new ATOM 0 HB2 ARG A 53 -1.977 -5.196 -6.278 1.00 41.42 H new ATOM 0 HB3 ARG A 53 -0.511 -6.111 -5.985 1.00 41.42 H new ATOM 0 HG2 ARG A 53 -1.539 -7.391 -4.224 1.00 71.22 H new ATOM 0 HG3 ARG A 53 -2.916 -6.310 -4.139 1.00 71.22 H new ATOM 0 HD2 ARG A 53 -3.612 -6.994 -6.422 1.00 31.20 H new ATOM 0 HD3 ARG A 53 -2.218 -8.049 -6.542 1.00 31.20 H new ATOM 0 HE ARG A 53 -3.535 -8.887 -4.222 1.00 32.10 H new ATOM 0 HH11 ARG A 53 -4.313 -8.531 -7.613 1.00 74.20 H new ATOM 0 HH12 ARG A 53 -5.498 -9.841 -7.580 1.00 74.20 H new ATOM 0 HH21 ARG A 53 -5.024 -10.528 -4.213 1.00 15.43 H new ATOM 0 HH22 ARG A 53 -5.892 -10.948 -5.693 1.00 15.43 H new ATOM 836 N ILE A 54 -2.946 -3.257 -4.549 1.00 70.34 N ATOM 837 CA ILE A 54 -4.250 -2.810 -4.043 1.00 50.01 C ATOM 838 C ILE A 54 -5.375 -3.650 -4.668 1.00 44.44 C ATOM 839 O ILE A 54 -5.552 -3.661 -5.885 1.00 64.43 O ATOM 840 CB ILE A 54 -4.501 -1.309 -4.332 1.00 60.30 C ATOM 841 CG1 ILE A 54 -3.431 -0.450 -3.635 1.00 13.12 C ATOM 842 CG2 ILE A 54 -5.906 -0.897 -3.885 1.00 4.11 C ATOM 843 CD1 ILE A 54 -3.658 1.042 -3.750 1.00 11.42 C ATOM 0 H ILE A 54 -2.743 -2.960 -5.503 1.00 70.34 H new ATOM 0 HA ILE A 54 -4.243 -2.946 -2.962 1.00 50.01 H new ATOM 0 HB ILE A 54 -4.431 -1.145 -5.407 1.00 60.30 H new ATOM 0 HG12 ILE A 54 -3.396 -0.720 -2.580 1.00 13.12 H new ATOM 0 HG13 ILE A 54 -2.456 -0.691 -4.058 1.00 13.12 H new ATOM 0 HG21 ILE A 54 -6.060 0.161 -4.098 1.00 4.11 H new ATOM 0 HG22 ILE A 54 -6.647 -1.487 -4.424 1.00 4.11 H new ATOM 0 HG23 ILE A 54 -6.013 -1.071 -2.814 1.00 4.11 H new ATOM 0 HD11 ILE A 54 -2.859 1.573 -3.232 1.00 11.42 H new ATOM 0 HD12 ILE A 54 -3.662 1.329 -4.801 1.00 11.42 H new ATOM 0 HD13 ILE A 54 -4.617 1.300 -3.300 1.00 11.42 H new ATOM 855 N LYS A 55 -6.120 -4.362 -3.827 1.00 60.23 N ATOM 856 CA LYS A 55 -7.156 -5.287 -4.301 1.00 70.40 C ATOM 857 C LYS A 55 -8.479 -4.562 -4.600 1.00 25.42 C ATOM 858 O LYS A 55 -9.198 -4.923 -5.534 1.00 72.22 O ATOM 859 CB LYS A 55 -7.376 -6.396 -3.260 1.00 72.34 C ATOM 860 CG LYS A 55 -8.302 -7.520 -3.721 1.00 61.45 C ATOM 861 CD LYS A 55 -8.418 -8.618 -2.667 1.00 44.53 C ATOM 862 CE LYS A 55 -9.279 -9.777 -3.149 1.00 70.23 C ATOM 863 NZ LYS A 55 -9.333 -10.882 -2.154 1.00 64.54 N ATOM 0 H LYS A 55 -6.029 -4.319 -2.812 1.00 60.23 H new ATOM 0 HA LYS A 55 -6.811 -5.728 -5.236 1.00 70.40 H new ATOM 0 HB2 LYS A 55 -6.410 -6.824 -2.994 1.00 72.34 H new ATOM 0 HB3 LYS A 55 -7.788 -5.951 -2.354 1.00 72.34 H new ATOM 0 HG2 LYS A 55 -9.291 -7.114 -3.935 1.00 61.45 H new ATOM 0 HG3 LYS A 55 -7.924 -7.945 -4.651 1.00 61.45 H new ATOM 0 HD2 LYS A 55 -7.423 -8.985 -2.414 1.00 44.53 H new ATOM 0 HD3 LYS A 55 -8.846 -8.202 -1.755 1.00 44.53 H new ATOM 0 HE2 LYS A 55 -10.289 -9.420 -3.349 1.00 70.23 H new ATOM 0 HE3 LYS A 55 -8.882 -10.156 -4.091 1.00 70.23 H new ATOM 0 HZ1 LYS A 55 -9.929 -11.651 -2.521 1.00 64.54 H new ATOM 0 HZ2 LYS A 55 -8.372 -11.241 -1.981 1.00 64.54 H new ATOM 0 HZ3 LYS A 55 -9.735 -10.527 -1.263 1.00 64.54 H new ATOM 877 N GLU A 56 -8.796 -3.535 -3.810 1.00 52.13 N ATOM 878 CA GLU A 56 -10.045 -2.779 -3.988 1.00 64.53 C ATOM 879 C GLU A 56 -9.984 -1.411 -3.289 1.00 34.40 C ATOM 880 O GLU A 56 -9.482 -1.296 -2.174 1.00 31.54 O ATOM 881 CB GLU A 56 -11.233 -3.585 -3.438 1.00 51.31 C ATOM 882 CG GLU A 56 -12.579 -2.880 -3.578 1.00 53.33 C ATOM 883 CD GLU A 56 -13.730 -3.693 -3.010 1.00 34.54 C ATOM 884 OE1 GLU A 56 -14.279 -4.544 -3.738 1.00 44.41 O ATOM 885 OE2 GLU A 56 -14.095 -3.483 -1.835 1.00 60.12 O ATOM 0 H GLU A 56 -8.210 -3.206 -3.043 1.00 52.13 H new ATOM 0 HA GLU A 56 -10.178 -2.609 -5.056 1.00 64.53 H new ATOM 0 HB2 GLU A 56 -11.280 -4.543 -3.956 1.00 51.31 H new ATOM 0 HB3 GLU A 56 -11.056 -3.801 -2.385 1.00 51.31 H new ATOM 0 HG2 GLU A 56 -12.534 -1.917 -3.069 1.00 53.33 H new ATOM 0 HG3 GLU A 56 -12.769 -2.676 -4.632 1.00 53.33 H new ATOM 892 N ASP A 57 -10.498 -0.376 -3.949 1.00 54.52 N ATOM 893 CA ASP A 57 -10.589 0.956 -3.345 1.00 13.25 C ATOM 894 C ASP A 57 -11.909 1.657 -3.725 1.00 43.42 C ATOM 895 O ASP A 57 -12.728 1.110 -4.466 1.00 40.04 O ATOM 896 CB ASP A 57 -9.376 1.812 -3.741 1.00 53.43 C ATOM 897 CG ASP A 57 -9.300 2.089 -5.236 1.00 61.14 C ATOM 898 OD1 ASP A 57 -9.890 3.094 -5.679 1.00 42.43 O ATOM 899 OD2 ASP A 57 -8.639 1.320 -5.959 1.00 23.14 O ATOM 0 H ASP A 57 -10.858 -0.431 -4.902 1.00 54.52 H new ATOM 0 HA ASP A 57 -10.584 0.835 -2.262 1.00 13.25 H new ATOM 0 HB2 ASP A 57 -9.417 2.760 -3.204 1.00 53.43 H new ATOM 0 HB3 ASP A 57 -8.464 1.306 -3.425 1.00 53.43 H new ATOM 904 N ASN A 58 -12.117 2.867 -3.207 1.00 53.44 N ATOM 905 CA ASN A 58 -13.363 3.617 -3.457 1.00 3.44 C ATOM 906 C ASN A 58 -13.103 4.875 -4.316 1.00 21.31 C ATOM 907 O ASN A 58 -13.746 5.911 -4.146 1.00 4.13 O ATOM 908 CB ASN A 58 -14.009 4.005 -2.112 1.00 52.45 C ATOM 909 CG ASN A 58 -15.492 4.335 -2.239 1.00 51.23 C ATOM 910 OD1 ASN A 58 -15.965 4.766 -3.285 1.00 42.01 O ATOM 911 ND2 ASN A 58 -16.237 4.149 -1.168 1.00 14.34 N ATOM 0 H ASN A 58 -11.446 3.354 -2.613 1.00 53.44 H new ATOM 0 HA ASN A 58 -14.045 2.976 -4.016 1.00 3.44 H new ATOM 0 HB2 ASN A 58 -13.884 3.185 -1.405 1.00 52.45 H new ATOM 0 HB3 ASN A 58 -13.485 4.866 -1.698 1.00 52.45 H new ATOM 0 HD21 ASN A 58 -17.233 4.365 -1.196 1.00 14.34 H new ATOM 0 HD22 ASN A 58 -15.817 3.789 -0.311 1.00 14.34 H new ATOM 918 N SER A 59 -12.144 4.788 -5.237 1.00 44.32 N ATOM 919 CA SER A 59 -11.867 5.898 -6.163 1.00 0.22 C ATOM 920 C SER A 59 -12.716 5.771 -7.437 1.00 45.54 C ATOM 921 O SER A 59 -12.988 4.662 -7.905 1.00 54.02 O ATOM 922 CB SER A 59 -10.378 5.939 -6.545 1.00 75.11 C ATOM 923 OG SER A 59 -9.544 5.944 -5.397 1.00 1.32 O ATOM 0 H SER A 59 -11.548 3.970 -5.366 1.00 44.32 H new ATOM 0 HA SER A 59 -12.127 6.824 -5.650 1.00 0.22 H new ATOM 0 HB2 SER A 59 -10.137 5.076 -7.166 1.00 75.11 H new ATOM 0 HB3 SER A 59 -10.180 6.828 -7.143 1.00 75.11 H new ATOM 0 HG SER A 59 -9.381 5.022 -5.107 1.00 1.32 H new ATOM 929 N PRO A 60 -13.131 6.905 -8.030 1.00 32.31 N ATOM 930 CA PRO A 60 -13.934 6.904 -9.267 1.00 54.14 C ATOM 931 C PRO A 60 -13.175 6.292 -10.454 1.00 51.24 C ATOM 932 O PRO A 60 -13.769 5.667 -11.337 1.00 55.13 O ATOM 933 CB PRO A 60 -14.225 8.395 -9.510 1.00 51.23 C ATOM 934 CG PRO A 60 -13.161 9.123 -8.757 1.00 14.21 C ATOM 935 CD PRO A 60 -12.857 8.271 -7.554 1.00 73.33 C ATOM 0 HA PRO A 60 -14.835 6.298 -9.170 1.00 54.14 H new ATOM 0 HB2 PRO A 60 -14.192 8.636 -10.573 1.00 51.23 H new ATOM 0 HB3 PRO A 60 -15.218 8.667 -9.152 1.00 51.23 H new ATOM 0 HG2 PRO A 60 -12.272 9.263 -9.372 1.00 14.21 H new ATOM 0 HG3 PRO A 60 -13.501 10.115 -8.458 1.00 14.21 H new ATOM 0 HD2 PRO A 60 -11.822 8.385 -7.231 1.00 73.33 H new ATOM 0 HD3 PRO A 60 -13.487 8.535 -6.704 1.00 73.33 H new ATOM 943 N ASP A 61 -11.854 6.477 -10.462 1.00 41.54 N ATOM 944 CA ASP A 61 -10.993 5.923 -11.511 1.00 14.30 C ATOM 945 C ASP A 61 -10.358 4.585 -11.083 1.00 54.22 C ATOM 946 O ASP A 61 -9.750 3.892 -11.903 1.00 64.55 O ATOM 947 CB ASP A 61 -9.895 6.934 -11.857 1.00 41.31 C ATOM 948 CG ASP A 61 -10.464 8.317 -12.123 1.00 54.15 C ATOM 949 OD1 ASP A 61 -11.027 8.534 -13.218 1.00 4.01 O ATOM 950 OD2 ASP A 61 -10.371 9.181 -11.228 1.00 44.32 O ATOM 0 H ASP A 61 -11.354 7.009 -9.750 1.00 41.54 H new ATOM 0 HA ASP A 61 -11.611 5.729 -12.388 1.00 14.30 H new ATOM 0 HB2 ASP A 61 -9.179 6.987 -11.037 1.00 41.31 H new ATOM 0 HB3 ASP A 61 -9.349 6.591 -12.736 1.00 41.31 H new ATOM 955 N GLN A 62 -10.513 4.226 -9.799 1.00 53.13 N ATOM 956 CA GLN A 62 -9.928 2.987 -9.246 1.00 11.54 C ATOM 957 C GLN A 62 -8.401 2.946 -9.431 1.00 53.43 C ATOM 958 O GLN A 62 -7.819 1.887 -9.674 1.00 41.14 O ATOM 959 CB GLN A 62 -10.586 1.760 -9.901 1.00 13.43 C ATOM 960 CG GLN A 62 -12.062 1.601 -9.549 1.00 2.11 C ATOM 961 CD GLN A 62 -12.280 1.087 -8.133 1.00 14.15 C ATOM 962 OE1 GLN A 62 -12.367 -0.112 -7.896 1.00 42.32 O ATOM 963 NE2 GLN A 62 -12.370 1.991 -7.180 1.00 44.12 N ATOM 0 H GLN A 62 -11.039 4.776 -9.120 1.00 53.13 H new ATOM 0 HA GLN A 62 -10.125 2.970 -8.174 1.00 11.54 H new ATOM 0 HB2 GLN A 62 -10.485 1.838 -10.984 1.00 13.43 H new ATOM 0 HB3 GLN A 62 -10.049 0.862 -9.595 1.00 13.43 H new ATOM 0 HG2 GLN A 62 -12.563 2.562 -9.663 1.00 2.11 H new ATOM 0 HG3 GLN A 62 -12.527 0.914 -10.256 1.00 2.11 H new ATOM 0 HE21 GLN A 62 -12.294 2.982 -7.408 1.00 44.12 H new ATOM 0 HE22 GLN A 62 -12.516 1.700 -6.213 1.00 44.12 H new ATOM 972 N VAL A 63 -7.758 4.101 -9.265 1.00 2.43 N ATOM 973 CA VAL A 63 -6.316 4.250 -9.512 1.00 13.55 C ATOM 974 C VAL A 63 -5.486 3.201 -8.749 1.00 75.35 C ATOM 975 O VAL A 63 -4.484 2.692 -9.261 1.00 32.14 O ATOM 976 CB VAL A 63 -5.832 5.667 -9.109 1.00 34.42 C ATOM 977 CG1 VAL A 63 -4.362 5.869 -9.473 1.00 41.51 C ATOM 978 CG2 VAL A 63 -6.707 6.739 -9.754 1.00 65.51 C ATOM 0 H VAL A 63 -8.215 4.959 -8.957 1.00 2.43 H new ATOM 0 HA VAL A 63 -6.166 4.098 -10.581 1.00 13.55 H new ATOM 0 HB VAL A 63 -5.922 5.760 -8.027 1.00 34.42 H new ATOM 0 HG11 VAL A 63 -4.049 6.871 -9.179 1.00 41.51 H new ATOM 0 HG12 VAL A 63 -3.753 5.131 -8.951 1.00 41.51 H new ATOM 0 HG13 VAL A 63 -4.234 5.750 -10.549 1.00 41.51 H new ATOM 0 HG21 VAL A 63 -6.351 7.726 -9.459 1.00 65.51 H new ATOM 0 HG22 VAL A 63 -6.657 6.645 -10.839 1.00 65.51 H new ATOM 0 HG23 VAL A 63 -7.739 6.613 -9.426 1.00 65.51 H new ATOM 988 N GLY A 64 -5.920 2.870 -7.532 1.00 25.11 N ATOM 989 CA GLY A 64 -5.224 1.872 -6.732 1.00 33.15 C ATOM 990 C GLY A 64 -5.140 0.514 -7.424 1.00 55.43 C ATOM 991 O GLY A 64 -4.052 -0.040 -7.598 1.00 60.21 O ATOM 0 H GLY A 64 -6.742 3.276 -7.086 1.00 25.11 H new ATOM 0 HA2 GLY A 64 -4.217 2.226 -6.513 1.00 33.15 H new ATOM 0 HA3 GLY A 64 -5.736 1.757 -5.777 1.00 33.15 H new ATOM 995 N VAL A 65 -6.294 -0.007 -7.832 1.00 41.52 N ATOM 996 CA VAL A 65 -6.366 -1.289 -8.546 1.00 40.42 C ATOM 997 C VAL A 65 -5.531 -1.272 -9.847 1.00 70.32 C ATOM 998 O VAL A 65 -4.877 -2.261 -10.194 1.00 44.11 O ATOM 999 CB VAL A 65 -7.839 -1.658 -8.876 1.00 45.42 C ATOM 1000 CG1 VAL A 65 -7.927 -3.024 -9.562 1.00 51.25 C ATOM 1001 CG2 VAL A 65 -8.696 -1.629 -7.609 1.00 51.42 C ATOM 0 H VAL A 65 -7.199 0.438 -7.682 1.00 41.52 H new ATOM 0 HA VAL A 65 -5.946 -2.045 -7.882 1.00 40.42 H new ATOM 0 HB VAL A 65 -8.226 -0.913 -9.571 1.00 45.42 H new ATOM 0 HG11 VAL A 65 -8.970 -3.255 -9.781 1.00 51.25 H new ATOM 0 HG12 VAL A 65 -7.358 -3.002 -10.491 1.00 51.25 H new ATOM 0 HG13 VAL A 65 -7.516 -3.789 -8.903 1.00 51.25 H new ATOM 0 HG21 VAL A 65 -9.724 -1.890 -7.859 1.00 51.42 H new ATOM 0 HG22 VAL A 65 -8.305 -2.347 -6.888 1.00 51.42 H new ATOM 0 HG23 VAL A 65 -8.671 -0.629 -7.175 1.00 51.42 H new ATOM 1011 N LYS A 66 -5.542 -0.138 -10.553 1.00 4.50 N ATOM 1012 CA LYS A 66 -4.782 0.009 -11.809 1.00 30.54 C ATOM 1013 C LYS A 66 -3.258 -0.068 -11.586 1.00 51.32 C ATOM 1014 O LYS A 66 -2.513 -0.462 -12.488 1.00 64.22 O ATOM 1015 CB LYS A 66 -5.135 1.334 -12.510 1.00 52.20 C ATOM 1016 CG LYS A 66 -6.415 1.289 -13.349 1.00 54.13 C ATOM 1017 CD LYS A 66 -7.656 1.004 -12.507 1.00 30.25 C ATOM 1018 CE LYS A 66 -8.933 1.048 -13.337 1.00 31.21 C ATOM 1019 NZ LYS A 66 -8.939 0.023 -14.413 1.00 52.32 N ATOM 0 H LYS A 66 -6.066 0.694 -10.281 1.00 4.50 H new ATOM 0 HA LYS A 66 -5.069 -0.828 -12.446 1.00 30.54 H new ATOM 0 HB2 LYS A 66 -5.238 2.113 -11.755 1.00 52.20 H new ATOM 0 HB3 LYS A 66 -4.304 1.622 -13.154 1.00 52.20 H new ATOM 0 HG2 LYS A 66 -6.541 2.241 -13.865 1.00 54.13 H new ATOM 0 HG3 LYS A 66 -6.316 0.521 -14.116 1.00 54.13 H new ATOM 0 HD2 LYS A 66 -7.560 0.023 -12.041 1.00 30.25 H new ATOM 0 HD3 LYS A 66 -7.722 1.735 -11.701 1.00 30.25 H new ATOM 0 HE2 LYS A 66 -9.793 0.893 -12.686 1.00 31.21 H new ATOM 0 HE3 LYS A 66 -9.042 2.038 -13.780 1.00 31.21 H new ATOM 0 HZ1 LYS A 66 -9.871 0.010 -14.875 1.00 52.32 H new ATOM 0 HZ2 LYS A 66 -8.208 0.253 -15.116 1.00 52.32 H new ATOM 0 HZ3 LYS A 66 -8.743 -0.912 -14.003 1.00 52.32 H new ATOM 1033 N MET A 67 -2.794 0.327 -10.400 1.00 25.43 N ATOM 1034 CA MET A 67 -1.359 0.265 -10.071 1.00 33.11 C ATOM 1035 C MET A 67 -0.813 -1.176 -10.132 1.00 43.13 C ATOM 1036 O MET A 67 0.338 -1.396 -10.513 1.00 32.13 O ATOM 1037 CB MET A 67 -1.100 0.873 -8.686 1.00 10.02 C ATOM 1038 CG MET A 67 -1.313 2.379 -8.631 1.00 44.51 C ATOM 1039 SD MET A 67 -0.195 3.272 -9.733 1.00 42.24 S ATOM 1040 CE MET A 67 -0.697 4.968 -9.444 1.00 21.45 C ATOM 0 H MET A 67 -3.383 0.692 -9.651 1.00 25.43 H new ATOM 0 HA MET A 67 -0.828 0.849 -10.823 1.00 33.11 H new ATOM 0 HB2 MET A 67 -1.758 0.395 -7.960 1.00 10.02 H new ATOM 0 HB3 MET A 67 -0.077 0.648 -8.386 1.00 10.02 H new ATOM 0 HG2 MET A 67 -2.344 2.608 -8.901 1.00 44.51 H new ATOM 0 HG3 MET A 67 -1.166 2.727 -7.609 1.00 44.51 H new ATOM 0 HE1 MET A 67 -1.125 5.382 -10.357 1.00 21.45 H new ATOM 0 HE2 MET A 67 -1.442 4.996 -8.649 1.00 21.45 H new ATOM 0 HE3 MET A 67 0.170 5.559 -9.149 1.00 21.45 H new ATOM 1050 N GLY A 68 -1.643 -2.144 -9.750 1.00 40.24 N ATOM 1051 CA GLY A 68 -1.265 -3.553 -9.853 1.00 52.34 C ATOM 1052 C GLY A 68 -0.182 -3.990 -8.866 1.00 33.32 C ATOM 1053 O GLY A 68 -0.143 -3.525 -7.724 1.00 2.14 O ATOM 0 H GLY A 68 -2.575 -1.981 -9.369 1.00 40.24 H new ATOM 0 HA2 GLY A 68 -2.152 -4.167 -9.696 1.00 52.34 H new ATOM 0 HA3 GLY A 68 -0.916 -3.750 -10.867 1.00 52.34 H new ATOM 1057 N TRP A 69 0.696 -4.893 -9.310 1.00 52.12 N ATOM 1058 CA TRP A 69 1.745 -5.462 -8.449 1.00 14.31 C ATOM 1059 C TRP A 69 2.999 -4.576 -8.376 1.00 31.04 C ATOM 1060 O TRP A 69 3.535 -4.137 -9.397 1.00 72.24 O ATOM 1061 CB TRP A 69 2.149 -6.855 -8.953 1.00 41.50 C ATOM 1062 CG TRP A 69 1.054 -7.879 -8.878 1.00 75.42 C ATOM 1063 CD1 TRP A 69 0.265 -8.320 -9.903 1.00 71.31 C ATOM 1064 CD2 TRP A 69 0.626 -8.591 -7.710 1.00 1.20 C ATOM 1065 NE1 TRP A 69 -0.615 -9.268 -9.445 1.00 64.42 N ATOM 1066 CE2 TRP A 69 -0.414 -9.453 -8.102 1.00 2.34 C ATOM 1067 CE3 TRP A 69 1.029 -8.587 -6.371 1.00 13.45 C ATOM 1068 CZ2 TRP A 69 -1.058 -10.298 -7.205 1.00 12.54 C ATOM 1069 CZ3 TRP A 69 0.387 -9.424 -5.482 1.00 12.54 C ATOM 1070 CH2 TRP A 69 -0.644 -10.274 -5.902 1.00 72.22 C ATOM 0 H TRP A 69 0.704 -5.250 -10.266 1.00 52.12 H new ATOM 0 HA TRP A 69 1.321 -5.527 -7.447 1.00 14.31 H new ATOM 0 HB2 TRP A 69 2.483 -6.772 -9.987 1.00 41.50 H new ATOM 0 HB3 TRP A 69 3.000 -7.207 -8.370 1.00 41.50 H new ATOM 0 HD1 TRP A 69 0.325 -7.973 -10.924 1.00 71.31 H new ATOM 0 HE1 TRP A 69 -1.307 -9.756 -10.013 1.00 64.42 H new ATOM 0 HE3 TRP A 69 1.828 -7.941 -6.039 1.00 13.45 H new ATOM 0 HZ2 TRP A 69 -1.857 -10.950 -7.526 1.00 12.54 H new ATOM 0 HZ3 TRP A 69 0.685 -9.424 -4.444 1.00 12.54 H new ATOM 0 HH2 TRP A 69 -1.121 -10.923 -5.183 1.00 72.22 H new ATOM 1081 N LYS A 70 3.476 -4.341 -7.155 1.00 70.11 N ATOM 1082 CA LYS A 70 4.698 -3.565 -6.916 1.00 63.24 C ATOM 1083 C LYS A 70 5.681 -4.346 -6.029 1.00 74.43 C ATOM 1084 O LYS A 70 5.284 -4.951 -5.028 1.00 13.24 O ATOM 1085 CB LYS A 70 4.352 -2.224 -6.253 1.00 22.14 C ATOM 1086 CG LYS A 70 3.452 -1.323 -7.094 1.00 52.52 C ATOM 1087 CD LYS A 70 4.098 -0.957 -8.429 1.00 34.43 C ATOM 1088 CE LYS A 70 3.251 0.022 -9.233 1.00 72.43 C ATOM 1089 NZ LYS A 70 3.899 0.381 -10.523 1.00 71.33 N ATOM 0 H LYS A 70 3.030 -4.681 -6.303 1.00 70.11 H new ATOM 0 HA LYS A 70 5.174 -3.379 -7.879 1.00 63.24 H new ATOM 0 HB2 LYS A 70 3.862 -2.419 -5.299 1.00 22.14 H new ATOM 0 HB3 LYS A 70 5.277 -1.691 -6.033 1.00 22.14 H new ATOM 0 HG2 LYS A 70 2.503 -1.827 -7.276 1.00 52.52 H new ATOM 0 HG3 LYS A 70 3.228 -0.413 -6.538 1.00 52.52 H new ATOM 0 HD2 LYS A 70 5.080 -0.520 -8.247 1.00 34.43 H new ATOM 0 HD3 LYS A 70 4.256 -1.863 -9.014 1.00 34.43 H new ATOM 0 HE2 LYS A 70 2.273 -0.418 -9.427 1.00 72.43 H new ATOM 0 HE3 LYS A 70 3.084 0.925 -8.646 1.00 72.43 H new ATOM 0 HZ1 LYS A 70 3.293 1.048 -11.042 1.00 71.33 H new ATOM 0 HZ2 LYS A 70 4.822 0.823 -10.337 1.00 71.33 H new ATOM 0 HZ3 LYS A 70 4.036 -0.478 -11.094 1.00 71.33 H new ATOM 1103 N SER A 71 6.965 -4.332 -6.394 1.00 73.24 N ATOM 1104 CA SER A 71 7.999 -5.045 -5.619 1.00 23.42 C ATOM 1105 C SER A 71 9.421 -4.661 -6.053 1.00 34.43 C ATOM 1106 O SER A 71 10.383 -5.364 -5.735 1.00 32.23 O ATOM 1107 CB SER A 71 7.822 -6.566 -5.753 1.00 4.14 C ATOM 1108 OG SER A 71 7.987 -7.001 -7.099 1.00 51.30 O ATOM 0 H SER A 71 7.318 -3.840 -7.215 1.00 73.24 H new ATOM 0 HA SER A 71 7.871 -4.747 -4.578 1.00 23.42 H new ATOM 0 HB2 SER A 71 8.546 -7.074 -5.116 1.00 4.14 H new ATOM 0 HB3 SER A 71 6.831 -6.849 -5.398 1.00 4.14 H new ATOM 0 HG SER A 71 7.107 -7.137 -7.509 1.00 51.30 H new ATOM 1114 N LYS A 72 9.562 -3.541 -6.757 1.00 33.20 N ATOM 1115 CA LYS A 72 10.871 -3.106 -7.260 1.00 40.35 C ATOM 1116 C LYS A 72 11.309 -1.795 -6.598 1.00 31.54 C ATOM 1117 O LYS A 72 10.474 -0.971 -6.216 1.00 3.44 O ATOM 1118 CB LYS A 72 10.828 -2.905 -8.784 1.00 72.41 C ATOM 1119 CG LYS A 72 10.109 -4.016 -9.547 1.00 31.41 C ATOM 1120 CD LYS A 72 10.693 -5.395 -9.261 1.00 22.33 C ATOM 1121 CE LYS A 72 9.927 -6.487 -9.997 1.00 23.42 C ATOM 1122 NZ LYS A 72 8.471 -6.444 -9.702 1.00 24.43 N ATOM 0 H LYS A 72 8.791 -2.917 -6.994 1.00 33.20 H new ATOM 0 HA LYS A 72 11.589 -3.888 -7.015 1.00 40.35 H new ATOM 0 HB2 LYS A 72 10.337 -1.956 -8.999 1.00 72.41 H new ATOM 0 HB3 LYS A 72 11.849 -2.827 -9.157 1.00 72.41 H new ATOM 0 HG2 LYS A 72 9.052 -4.010 -9.280 1.00 31.41 H new ATOM 0 HG3 LYS A 72 10.169 -3.815 -10.617 1.00 31.41 H new ATOM 0 HD2 LYS A 72 11.740 -5.418 -9.562 1.00 22.33 H new ATOM 0 HD3 LYS A 72 10.665 -5.588 -8.189 1.00 22.33 H new ATOM 0 HE2 LYS A 72 10.082 -6.378 -11.070 1.00 23.42 H new ATOM 0 HE3 LYS A 72 10.325 -7.462 -9.715 1.00 23.42 H new ATOM 0 HZ1 LYS A 72 8.020 -7.313 -10.053 1.00 24.43 H new ATOM 0 HZ2 LYS A 72 8.327 -6.369 -8.675 1.00 24.43 H new ATOM 0 HZ3 LYS A 72 8.046 -5.619 -10.172 1.00 24.43 H new ATOM 1136 N ALA A 73 12.619 -1.600 -6.469 1.00 33.45 N ATOM 1137 CA ALA A 73 13.161 -0.328 -5.990 1.00 44.41 C ATOM 1138 C ALA A 73 12.730 0.822 -6.915 1.00 24.53 C ATOM 1139 O ALA A 73 13.167 0.910 -8.065 1.00 62.20 O ATOM 1140 CB ALA A 73 14.683 -0.403 -5.896 1.00 64.13 C ATOM 0 H ALA A 73 13.324 -2.303 -6.688 1.00 33.45 H new ATOM 0 HA ALA A 73 12.764 -0.132 -4.994 1.00 44.41 H new ATOM 0 HB1 ALA A 73 15.073 0.550 -5.538 1.00 64.13 H new ATOM 0 HB2 ALA A 73 14.966 -1.194 -5.202 1.00 64.13 H new ATOM 0 HB3 ALA A 73 15.098 -0.618 -6.881 1.00 64.13 H new ATOM 1146 N GLY A 74 11.834 1.673 -6.421 1.00 13.24 N ATOM 1147 CA GLY A 74 11.331 2.787 -7.221 1.00 54.23 C ATOM 1148 C GLY A 74 9.823 2.732 -7.452 1.00 75.53 C ATOM 1149 O GLY A 74 9.218 3.730 -7.844 1.00 50.43 O ATOM 0 H GLY A 74 11.444 1.614 -5.480 1.00 13.24 H new ATOM 0 HA2 GLY A 74 11.582 3.724 -6.724 1.00 54.23 H new ATOM 0 HA3 GLY A 74 11.839 2.792 -8.185 1.00 54.23 H new ATOM 1153 N ASP A 75 9.215 1.568 -7.225 1.00 71.31 N ATOM 1154 CA ASP A 75 7.757 1.426 -7.349 1.00 72.11 C ATOM 1155 C ASP A 75 7.014 2.320 -6.340 1.00 22.21 C ATOM 1156 O ASP A 75 7.354 2.361 -5.156 1.00 31.30 O ATOM 1157 CB ASP A 75 7.331 -0.037 -7.153 1.00 64.52 C ATOM 1158 CG ASP A 75 7.516 -0.891 -8.398 1.00 62.31 C ATOM 1159 OD1 ASP A 75 7.483 -0.342 -9.518 1.00 32.45 O ATOM 1160 OD2 ASP A 75 7.661 -2.125 -8.259 1.00 11.03 O ATOM 0 H ASP A 75 9.702 0.713 -6.956 1.00 71.31 H new ATOM 0 HA ASP A 75 7.488 1.745 -8.356 1.00 72.11 H new ATOM 0 HB2 ASP A 75 7.908 -0.469 -6.336 1.00 64.52 H new ATOM 0 HB3 ASP A 75 6.283 -0.066 -6.854 1.00 64.52 H new ATOM 1165 N THR A 76 5.995 3.032 -6.818 1.00 60.45 N ATOM 1166 CA THR A 76 5.197 3.922 -5.961 1.00 54.53 C ATOM 1167 C THR A 76 3.692 3.748 -6.202 1.00 14.32 C ATOM 1168 O THR A 76 3.254 3.447 -7.313 1.00 32.10 O ATOM 1169 CB THR A 76 5.562 5.415 -6.174 1.00 13.33 C ATOM 1170 OG1 THR A 76 5.443 5.768 -7.563 1.00 4.52 O ATOM 1171 CG2 THR A 76 6.979 5.713 -5.691 1.00 2.45 C ATOM 0 H THR A 76 5.698 3.013 -7.794 1.00 60.45 H new ATOM 0 HA THR A 76 5.435 3.637 -4.936 1.00 54.53 H new ATOM 0 HB THR A 76 4.863 6.012 -5.588 1.00 13.33 H new ATOM 0 HG1 THR A 76 5.675 6.713 -7.681 1.00 4.52 H new ATOM 0 HG21 THR A 76 7.205 6.767 -5.854 1.00 2.45 H new ATOM 0 HG22 THR A 76 7.056 5.485 -4.628 1.00 2.45 H new ATOM 0 HG23 THR A 76 7.689 5.100 -6.246 1.00 2.45 H new ATOM 1179 N ILE A 77 2.912 3.928 -5.140 1.00 55.32 N ATOM 1180 CA ILE A 77 1.449 3.855 -5.201 1.00 51.31 C ATOM 1181 C ILE A 77 0.835 5.224 -4.890 1.00 20.31 C ATOM 1182 O ILE A 77 1.073 5.789 -3.821 1.00 3.44 O ATOM 1183 CB ILE A 77 0.891 2.815 -4.188 1.00 41.31 C ATOM 1184 CG1 ILE A 77 1.436 1.407 -4.483 1.00 72.51 C ATOM 1185 CG2 ILE A 77 -0.639 2.808 -4.202 1.00 43.54 C ATOM 1186 CD1 ILE A 77 0.992 0.841 -5.815 1.00 71.30 C ATOM 0 H ILE A 77 3.275 4.129 -4.208 1.00 55.32 H new ATOM 0 HA ILE A 77 1.180 3.545 -6.211 1.00 51.31 H new ATOM 0 HB ILE A 77 1.226 3.108 -3.193 1.00 41.31 H new ATOM 0 HG12 ILE A 77 2.525 1.438 -4.458 1.00 72.51 H new ATOM 0 HG13 ILE A 77 1.118 0.732 -3.689 1.00 72.51 H new ATOM 0 HG21 ILE A 77 -1.006 2.073 -3.486 1.00 43.54 H new ATOM 0 HG22 ILE A 77 -1.010 3.796 -3.930 1.00 43.54 H new ATOM 0 HG23 ILE A 77 -0.993 2.550 -5.200 1.00 43.54 H new ATOM 0 HD11 ILE A 77 1.418 -0.153 -5.948 1.00 71.30 H new ATOM 0 HD12 ILE A 77 -0.096 0.776 -5.838 1.00 71.30 H new ATOM 0 HD13 ILE A 77 1.334 1.493 -6.619 1.00 71.30 H new ATOM 1198 N VAL A 78 0.049 5.758 -5.822 1.00 11.35 N ATOM 1199 CA VAL A 78 -0.589 7.065 -5.639 1.00 73.20 C ATOM 1200 C VAL A 78 -2.122 6.968 -5.736 1.00 72.34 C ATOM 1201 O VAL A 78 -2.668 6.597 -6.775 1.00 63.11 O ATOM 1202 CB VAL A 78 -0.083 8.087 -6.694 1.00 40.21 C ATOM 1203 CG1 VAL A 78 -0.712 9.459 -6.468 1.00 51.21 C ATOM 1204 CG2 VAL A 78 1.444 8.180 -6.676 1.00 61.44 C ATOM 0 H VAL A 78 -0.163 5.308 -6.712 1.00 11.35 H new ATOM 0 HA VAL A 78 -0.318 7.407 -4.640 1.00 73.20 H new ATOM 0 HB VAL A 78 -0.388 7.733 -7.679 1.00 40.21 H new ATOM 0 HG11 VAL A 78 -0.342 10.157 -7.219 1.00 51.21 H new ATOM 0 HG12 VAL A 78 -1.796 9.380 -6.549 1.00 51.21 H new ATOM 0 HG13 VAL A 78 -0.448 9.821 -5.475 1.00 51.21 H new ATOM 0 HG21 VAL A 78 1.773 8.902 -7.423 1.00 61.44 H new ATOM 0 HG22 VAL A 78 1.777 8.502 -5.689 1.00 61.44 H new ATOM 0 HG23 VAL A 78 1.871 7.203 -6.903 1.00 61.44 H new ATOM 1214 N CYS A 79 -2.812 7.298 -4.645 1.00 2.35 N ATOM 1215 CA CYS A 79 -4.284 7.348 -4.631 1.00 14.11 C ATOM 1216 C CYS A 79 -4.773 8.776 -4.365 1.00 0.35 C ATOM 1217 O CYS A 79 -4.966 9.169 -3.212 1.00 64.21 O ATOM 1218 CB CYS A 79 -4.856 6.386 -3.576 1.00 32.30 C ATOM 1219 SG CYS A 79 -4.540 4.640 -3.916 1.00 12.43 S ATOM 0 H CYS A 79 -2.378 7.537 -3.753 1.00 2.35 H new ATOM 0 HA CYS A 79 -4.640 7.034 -5.612 1.00 14.11 H new ATOM 0 HB2 CYS A 79 -4.432 6.638 -2.604 1.00 32.30 H new ATOM 0 HB3 CYS A 79 -5.932 6.542 -3.505 1.00 32.30 H new ATOM 0 HG CYS A 79 -4.245 4.029 -2.807 1.00 12.43 H new ATOM 1225 N LEU A 80 -4.967 9.547 -5.437 1.00 63.32 N ATOM 1226 CA LEU A 80 -5.314 10.974 -5.331 1.00 11.15 C ATOM 1227 C LEU A 80 -6.585 11.232 -4.482 1.00 74.12 C ATOM 1228 O LEU A 80 -6.522 11.975 -3.504 1.00 60.22 O ATOM 1229 CB LEU A 80 -5.457 11.605 -6.732 1.00 42.24 C ATOM 1230 CG LEU A 80 -4.186 11.591 -7.599 1.00 20.31 C ATOM 1231 CD1 LEU A 80 -4.470 12.177 -8.981 1.00 50.13 C ATOM 1232 CD2 LEU A 80 -3.053 12.349 -6.908 1.00 11.11 C ATOM 0 H LEU A 80 -4.890 9.208 -6.396 1.00 63.32 H new ATOM 0 HA LEU A 80 -4.489 11.454 -4.804 1.00 11.15 H new ATOM 0 HB2 LEU A 80 -6.247 11.080 -7.269 1.00 42.24 H new ATOM 0 HB3 LEU A 80 -5.784 12.638 -6.614 1.00 42.24 H new ATOM 0 HG LEU A 80 -3.871 10.556 -7.728 1.00 20.31 H new ATOM 0 HD11 LEU A 80 -3.559 12.158 -9.579 1.00 50.13 H new ATOM 0 HD12 LEU A 80 -5.241 11.586 -9.476 1.00 50.13 H new ATOM 0 HD13 LEU A 80 -4.814 13.206 -8.876 1.00 50.13 H new ATOM 0 HD21 LEU A 80 -2.164 12.327 -7.538 1.00 11.11 H new ATOM 0 HD22 LEU A 80 -3.355 13.383 -6.742 1.00 11.11 H new ATOM 0 HD23 LEU A 80 -2.831 11.878 -5.950 1.00 11.11 H new ATOM 1244 N PRO A 81 -7.754 10.615 -4.804 1.00 23.43 N ATOM 1245 CA PRO A 81 -9.011 10.882 -4.068 1.00 10.11 C ATOM 1246 C PRO A 81 -8.975 10.373 -2.613 1.00 71.30 C ATOM 1247 O PRO A 81 -9.896 10.617 -1.833 1.00 63.53 O ATOM 1248 CB PRO A 81 -10.081 10.119 -4.875 1.00 50.34 C ATOM 1249 CG PRO A 81 -9.430 9.767 -6.174 1.00 23.32 C ATOM 1250 CD PRO A 81 -7.964 9.622 -5.875 1.00 14.32 C ATOM 0 HA PRO A 81 -9.201 11.952 -3.986 1.00 10.11 H new ATOM 0 HB2 PRO A 81 -10.407 9.224 -4.345 1.00 50.34 H new ATOM 0 HB3 PRO A 81 -10.966 10.736 -5.034 1.00 50.34 H new ATOM 0 HG2 PRO A 81 -9.840 8.841 -6.578 1.00 23.32 H new ATOM 0 HG3 PRO A 81 -9.602 10.543 -6.920 1.00 23.32 H new ATOM 0 HD2 PRO A 81 -7.715 8.613 -5.547 1.00 14.32 H new ATOM 0 HD3 PRO A 81 -7.349 9.833 -6.750 1.00 14.32 H new ATOM 1258 N HIS A 82 -7.913 9.645 -2.265 1.00 30.04 N ATOM 1259 CA HIS A 82 -7.752 9.084 -0.915 1.00 1.55 C ATOM 1260 C HIS A 82 -6.546 9.706 -0.190 1.00 61.03 C ATOM 1261 O HIS A 82 -6.386 9.534 1.019 1.00 23.23 O ATOM 1262 CB HIS A 82 -7.576 7.562 -0.998 1.00 20.00 C ATOM 1263 CG HIS A 82 -8.783 6.837 -1.517 1.00 23.32 C ATOM 1264 ND1 HIS A 82 -9.269 5.687 -0.949 1.00 11.30 N ATOM 1265 CD2 HIS A 82 -9.597 7.104 -2.565 1.00 4.44 C ATOM 1266 CE1 HIS A 82 -10.324 5.278 -1.617 1.00 62.23 C ATOM 1267 NE2 HIS A 82 -10.550 6.117 -2.604 1.00 44.44 N ATOM 0 H HIS A 82 -7.146 9.427 -2.900 1.00 30.04 H new ATOM 0 HA HIS A 82 -8.651 9.319 -0.345 1.00 1.55 H new ATOM 0 HB2 HIS A 82 -6.726 7.339 -1.643 1.00 20.00 H new ATOM 0 HB3 HIS A 82 -7.333 7.180 -0.007 1.00 20.00 H new ATOM 0 HD1 HIS A 82 -8.872 5.221 -0.133 1.00 11.30 H new ATOM 0 HD2 HIS A 82 -9.512 7.939 -3.245 1.00 4.44 H new ATOM 0 HE1 HIS A 82 -10.909 4.398 -1.393 1.00 62.23 H new ATOM 1276 N LYS A 83 -5.704 10.419 -0.943 1.00 32.24 N ATOM 1277 CA LYS A 83 -4.483 11.040 -0.408 1.00 1.11 C ATOM 1278 C LYS A 83 -3.530 9.999 0.207 1.00 33.22 C ATOM 1279 O LYS A 83 -2.783 10.294 1.142 1.00 13.13 O ATOM 1280 CB LYS A 83 -4.839 12.131 0.615 1.00 41.14 C ATOM 1281 CG LYS A 83 -5.753 13.207 0.042 1.00 13.12 C ATOM 1282 CD LYS A 83 -5.962 14.371 1.005 1.00 53.12 C ATOM 1283 CE LYS A 83 -6.939 15.398 0.437 1.00 21.15 C ATOM 1284 NZ LYS A 83 -6.543 15.865 -0.921 1.00 72.04 N ATOM 0 H LYS A 83 -5.847 10.584 -1.939 1.00 32.24 H new ATOM 0 HA LYS A 83 -3.956 11.503 -1.242 1.00 1.11 H new ATOM 0 HB2 LYS A 83 -5.324 11.670 1.476 1.00 41.14 H new ATOM 0 HB3 LYS A 83 -3.922 12.596 0.977 1.00 41.14 H new ATOM 0 HG2 LYS A 83 -5.328 13.582 -0.889 1.00 13.12 H new ATOM 0 HG3 LYS A 83 -6.719 12.765 -0.204 1.00 13.12 H new ATOM 0 HD2 LYS A 83 -6.340 13.995 1.956 1.00 53.12 H new ATOM 0 HD3 LYS A 83 -5.005 14.852 1.210 1.00 53.12 H new ATOM 0 HE2 LYS A 83 -7.936 14.961 0.392 1.00 21.15 H new ATOM 0 HE3 LYS A 83 -6.996 16.253 1.110 1.00 21.15 H new ATOM 0 HZ1 LYS A 83 -7.121 16.688 -1.187 1.00 72.04 H new ATOM 0 HZ2 LYS A 83 -5.539 16.134 -0.916 1.00 72.04 H new ATOM 0 HZ3 LYS A 83 -6.693 15.099 -1.609 1.00 72.04 H new ATOM 1298 N VAL A 84 -3.540 8.788 -0.352 1.00 23.40 N ATOM 1299 CA VAL A 84 -2.663 7.703 0.111 1.00 1.20 C ATOM 1300 C VAL A 84 -1.443 7.548 -0.814 1.00 51.50 C ATOM 1301 O VAL A 84 -1.579 7.532 -2.042 1.00 21.04 O ATOM 1302 CB VAL A 84 -3.423 6.350 0.184 1.00 14.10 C ATOM 1303 CG1 VAL A 84 -2.500 5.226 0.662 1.00 34.13 C ATOM 1304 CG2 VAL A 84 -4.654 6.463 1.088 1.00 14.25 C ATOM 0 H VAL A 84 -4.147 8.530 -1.130 1.00 23.40 H new ATOM 0 HA VAL A 84 -2.326 7.972 1.112 1.00 1.20 H new ATOM 0 HB VAL A 84 -3.762 6.102 -0.822 1.00 14.10 H new ATOM 0 HG11 VAL A 84 -3.058 4.290 0.704 1.00 34.13 H new ATOM 0 HG12 VAL A 84 -1.666 5.121 -0.032 1.00 34.13 H new ATOM 0 HG13 VAL A 84 -2.119 5.466 1.655 1.00 34.13 H new ATOM 0 HG21 VAL A 84 -5.169 5.503 1.123 1.00 14.25 H new ATOM 0 HG22 VAL A 84 -4.342 6.744 2.094 1.00 14.25 H new ATOM 0 HG23 VAL A 84 -5.328 7.222 0.692 1.00 14.25 H new ATOM 1314 N PHE A 85 -0.254 7.434 -0.220 1.00 34.53 N ATOM 1315 CA PHE A 85 0.991 7.292 -0.984 1.00 21.20 C ATOM 1316 C PHE A 85 1.890 6.204 -0.377 1.00 43.42 C ATOM 1317 O PHE A 85 2.152 6.198 0.827 1.00 12.11 O ATOM 1318 CB PHE A 85 1.734 8.636 -1.030 1.00 23.33 C ATOM 1319 CG PHE A 85 3.003 8.609 -1.849 1.00 43.33 C ATOM 1320 CD1 PHE A 85 2.952 8.682 -3.236 1.00 33.33 C ATOM 1321 CD2 PHE A 85 4.246 8.510 -1.236 1.00 33.24 C ATOM 1322 CE1 PHE A 85 4.111 8.656 -3.989 1.00 15.32 C ATOM 1323 CE2 PHE A 85 5.406 8.483 -1.987 1.00 41.41 C ATOM 1324 CZ PHE A 85 5.338 8.557 -3.364 1.00 12.05 C ATOM 0 H PHE A 85 -0.125 7.437 0.792 1.00 34.53 H new ATOM 0 HA PHE A 85 0.738 6.990 -2.000 1.00 21.20 H new ATOM 0 HB2 PHE A 85 1.066 9.395 -1.438 1.00 23.33 H new ATOM 0 HB3 PHE A 85 1.977 8.940 -0.012 1.00 23.33 H new ATOM 0 HD1 PHE A 85 1.995 8.760 -3.731 1.00 33.33 H new ATOM 0 HD2 PHE A 85 4.306 8.453 -0.159 1.00 33.24 H new ATOM 0 HE1 PHE A 85 4.057 8.713 -5.066 1.00 15.32 H new ATOM 0 HE2 PHE A 85 6.365 8.404 -1.497 1.00 41.41 H new ATOM 0 HZ PHE A 85 6.244 8.537 -3.952 1.00 12.05 H new ATOM 1334 N VAL A 86 2.352 5.278 -1.217 1.00 31.15 N ATOM 1335 CA VAL A 86 3.224 4.181 -0.774 1.00 55.30 C ATOM 1336 C VAL A 86 4.454 4.044 -1.688 1.00 44.34 C ATOM 1337 O VAL A 86 4.329 3.680 -2.855 1.00 51.15 O ATOM 1338 CB VAL A 86 2.464 2.827 -0.755 1.00 14.14 C ATOM 1339 CG1 VAL A 86 3.368 1.695 -0.264 1.00 5.33 C ATOM 1340 CG2 VAL A 86 1.197 2.923 0.095 1.00 50.32 C ATOM 0 H VAL A 86 2.138 5.263 -2.214 1.00 31.15 H new ATOM 0 HA VAL A 86 3.548 4.427 0.237 1.00 55.30 H new ATOM 0 HB VAL A 86 2.166 2.597 -1.778 1.00 14.14 H new ATOM 0 HG11 VAL A 86 2.810 0.759 -0.261 1.00 5.33 H new ATOM 0 HG12 VAL A 86 4.228 1.602 -0.927 1.00 5.33 H new ATOM 0 HG13 VAL A 86 3.711 1.916 0.747 1.00 5.33 H new ATOM 0 HG21 VAL A 86 0.683 1.962 0.092 1.00 50.32 H new ATOM 0 HG22 VAL A 86 1.464 3.188 1.118 1.00 50.32 H new ATOM 0 HG23 VAL A 86 0.539 3.688 -0.318 1.00 50.32 H new ATOM 1350 N GLU A 87 5.640 4.317 -1.156 1.00 52.31 N ATOM 1351 CA GLU A 87 6.874 4.216 -1.946 1.00 23.21 C ATOM 1352 C GLU A 87 7.717 3.004 -1.516 1.00 34.44 C ATOM 1353 O GLU A 87 7.826 2.695 -0.329 1.00 53.12 O ATOM 1354 CB GLU A 87 7.719 5.505 -1.844 1.00 52.23 C ATOM 1355 CG GLU A 87 8.336 5.775 -0.468 1.00 60.51 C ATOM 1356 CD GLU A 87 7.435 6.566 0.479 1.00 10.41 C ATOM 1357 OE1 GLU A 87 6.225 6.289 0.542 1.00 53.34 O ATOM 1358 OE2 GLU A 87 7.951 7.460 1.189 1.00 30.11 O ATOM 0 H GLU A 87 5.779 4.608 -0.188 1.00 52.31 H new ATOM 0 HA GLU A 87 6.574 4.081 -2.985 1.00 23.21 H new ATOM 0 HB2 GLU A 87 8.521 5.453 -2.580 1.00 52.23 H new ATOM 0 HB3 GLU A 87 7.091 6.354 -2.116 1.00 52.23 H new ATOM 0 HG2 GLU A 87 8.587 4.822 -0.002 1.00 60.51 H new ATOM 0 HG3 GLU A 87 9.270 6.320 -0.602 1.00 60.51 H new ATOM 1365 N ILE A 88 8.305 2.314 -2.492 1.00 12.04 N ATOM 1366 CA ILE A 88 9.154 1.148 -2.226 1.00 31.13 C ATOM 1367 C ILE A 88 10.641 1.473 -2.445 1.00 24.41 C ATOM 1368 O ILE A 88 11.052 1.835 -3.552 1.00 71.52 O ATOM 1369 CB ILE A 88 8.754 -0.053 -3.122 1.00 13.10 C ATOM 1370 CG1 ILE A 88 7.271 -0.402 -2.905 1.00 21.44 C ATOM 1371 CG2 ILE A 88 9.640 -1.265 -2.832 1.00 35.55 C ATOM 1372 CD1 ILE A 88 6.789 -1.576 -3.732 1.00 72.13 C ATOM 0 H ILE A 88 8.209 2.542 -3.481 1.00 12.04 H new ATOM 0 HA ILE A 88 9.003 0.879 -1.181 1.00 31.13 H new ATOM 0 HB ILE A 88 8.899 0.228 -4.165 1.00 13.10 H new ATOM 0 HG12 ILE A 88 7.111 -0.623 -1.850 1.00 21.44 H new ATOM 0 HG13 ILE A 88 6.664 0.471 -3.143 1.00 21.44 H new ATOM 0 HG21 ILE A 88 9.341 -2.095 -3.472 1.00 35.55 H new ATOM 0 HG22 ILE A 88 10.681 -1.010 -3.030 1.00 35.55 H new ATOM 0 HG23 ILE A 88 9.530 -1.554 -1.787 1.00 35.55 H new ATOM 0 HD11 ILE A 88 5.735 -1.760 -3.523 1.00 72.13 H new ATOM 0 HD12 ILE A 88 6.915 -1.351 -4.791 1.00 72.13 H new ATOM 0 HD13 ILE A 88 7.369 -2.463 -3.477 1.00 72.13 H new ATOM 1384 N LYS A 89 11.444 1.335 -1.388 1.00 30.22 N ATOM 1385 CA LYS A 89 12.884 1.632 -1.461 1.00 60.32 C ATOM 1386 C LYS A 89 13.736 0.386 -1.169 1.00 42.10 C ATOM 1387 O LYS A 89 13.254 -0.589 -0.590 1.00 75.12 O ATOM 1388 CB LYS A 89 13.259 2.741 -0.464 1.00 53.34 C ATOM 1389 CG LYS A 89 13.099 2.341 1.006 1.00 71.41 C ATOM 1390 CD LYS A 89 13.821 3.309 1.948 1.00 44.44 C ATOM 1391 CE LYS A 89 15.325 3.367 1.655 1.00 2.34 C ATOM 1392 NZ LYS A 89 16.040 4.341 2.528 1.00 33.24 N ATOM 0 H LYS A 89 11.126 1.020 -0.471 1.00 30.22 H new ATOM 0 HA LYS A 89 13.090 1.965 -2.478 1.00 60.32 H new ATOM 0 HB2 LYS A 89 14.294 3.037 -0.638 1.00 53.34 H new ATOM 0 HB3 LYS A 89 12.640 3.616 -0.661 1.00 53.34 H new ATOM 0 HG2 LYS A 89 12.039 2.311 1.260 1.00 71.41 H new ATOM 0 HG3 LYS A 89 13.490 1.334 1.152 1.00 71.41 H new ATOM 0 HD2 LYS A 89 13.391 4.305 1.846 1.00 44.44 H new ATOM 0 HD3 LYS A 89 13.663 2.998 2.981 1.00 44.44 H new ATOM 0 HE2 LYS A 89 15.757 2.376 1.792 1.00 2.34 H new ATOM 0 HE3 LYS A 89 15.478 3.640 0.611 1.00 2.34 H new ATOM 0 HZ1 LYS A 89 17.052 4.342 2.290 1.00 33.24 H new ATOM 0 HZ2 LYS A 89 15.648 5.293 2.379 1.00 33.24 H new ATOM 0 HZ3 LYS A 89 15.919 4.068 3.524 1.00 33.24 H new ATOM 1406 N SER A 90 15.012 0.438 -1.556 1.00 60.40 N ATOM 1407 CA SER A 90 15.963 -0.650 -1.257 1.00 54.15 C ATOM 1408 C SER A 90 16.631 -0.435 0.106 1.00 63.20 C ATOM 1409 O SER A 90 16.824 0.701 0.540 1.00 61.40 O ATOM 1410 CB SER A 90 17.043 -0.744 -2.345 1.00 44.21 C ATOM 1411 OG SER A 90 18.006 -1.747 -2.038 1.00 50.44 O ATOM 0 H SER A 90 15.416 1.217 -2.076 1.00 60.40 H new ATOM 0 HA SER A 90 15.398 -1.582 -1.232 1.00 54.15 H new ATOM 0 HB2 SER A 90 16.576 -0.968 -3.304 1.00 44.21 H new ATOM 0 HB3 SER A 90 17.541 0.220 -2.450 1.00 44.21 H new ATOM 0 HG SER A 90 18.696 -1.762 -2.734 1.00 50.44 H new ATOM 1417 N THR A 91 16.987 -1.528 0.777 1.00 62.45 N ATOM 1418 CA THR A 91 17.600 -1.456 2.117 1.00 43.14 C ATOM 1419 C THR A 91 19.122 -1.248 2.049 1.00 11.52 C ATOM 1420 O THR A 91 19.784 -1.110 3.081 1.00 43.42 O ATOM 1421 CB THR A 91 17.328 -2.735 2.942 1.00 42.01 C ATOM 1422 OG1 THR A 91 18.028 -3.852 2.367 1.00 14.32 O ATOM 1423 CG2 THR A 91 15.832 -3.036 3.002 1.00 14.24 C ATOM 0 H THR A 91 16.865 -2.476 0.422 1.00 62.45 H new ATOM 0 HA THR A 91 17.138 -0.597 2.603 1.00 43.14 H new ATOM 0 HB THR A 91 17.688 -2.569 3.957 1.00 42.01 H new ATOM 0 HG1 THR A 91 18.006 -4.608 2.990 1.00 14.32 H new ATOM 0 HG21 THR A 91 15.666 -3.940 3.588 1.00 14.24 H new ATOM 0 HG22 THR A 91 15.311 -2.200 3.469 1.00 14.24 H new ATOM 0 HG23 THR A 91 15.450 -3.183 1.992 1.00 14.24 H new ATOM 1431 N GLN A 92 19.669 -1.220 0.837 1.00 65.43 N ATOM 1432 CA GLN A 92 21.117 -1.049 0.642 1.00 5.45 C ATOM 1433 C GLN A 92 21.568 0.393 0.941 1.00 5.04 C ATOM 1434 O GLN A 92 20.775 1.230 1.385 1.00 13.44 O ATOM 1435 CB GLN A 92 21.497 -1.427 -0.800 1.00 32.42 C ATOM 1436 CG GLN A 92 20.922 -0.484 -1.854 1.00 5.02 C ATOM 1437 CD GLN A 92 21.204 -0.948 -3.270 1.00 11.15 C ATOM 1438 OE1 GLN A 92 20.417 -1.677 -3.866 1.00 12.55 O ATOM 1439 NE2 GLN A 92 22.330 -0.540 -3.817 1.00 54.03 N ATOM 0 H GLN A 92 19.137 -1.313 -0.028 1.00 65.43 H new ATOM 0 HA GLN A 92 21.628 -1.709 1.344 1.00 5.45 H new ATOM 0 HB2 GLN A 92 22.583 -1.438 -0.889 1.00 32.42 H new ATOM 0 HB3 GLN A 92 21.150 -2.440 -1.004 1.00 32.42 H new ATOM 0 HG2 GLN A 92 19.845 -0.400 -1.711 1.00 5.02 H new ATOM 0 HG3 GLN A 92 21.341 0.512 -1.712 1.00 5.02 H new ATOM 0 HE21 GLN A 92 22.961 0.066 -3.293 1.00 54.03 H new ATOM 0 HE22 GLN A 92 22.571 -0.830 -4.765 1.00 54.03 H new