USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 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 12 LYS NZ :NH3+ -155:sc= 0.266 (180deg=0) USER MOD Set 1.2: A 28 ASN : amide:sc= 0.252 K(o=0.52,f=-1.8) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.166 F(o=-1.9,f=-0.17) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -4.17! C(o=-4.2!,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -160:sc= -0.299 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -38:sc= 0.906 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 70 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.7!) USER MOD Single : A 75 TYR OH : rot -74:sc= -0.782 USER MOD Single : A 77 ASN : amide:sc= -0.706 K(o=-0.71,f=-2.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.4) USER MOD Single : A 80 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.117 6.098 -6.437 1.00 35.34 N ATOM 61 CA SER A 5 9.136 7.138 -6.509 1.00 53.22 C ATOM 62 C SER A 5 10.316 6.806 -5.602 1.00 4.22 C ATOM 63 O SER A 5 11.431 7.281 -5.817 1.00 12.14 O ATOM 64 CB SER A 5 8.541 8.492 -6.117 1.00 2.12 C ATOM 65 OG SER A 5 9.556 9.469 -5.961 1.00 20.21 O ATOM 0 HA SER A 5 9.495 7.191 -7.537 1.00 53.22 H new ATOM 0 HB2 SER A 5 7.834 8.817 -6.880 1.00 2.12 H new ATOM 0 HB3 SER A 5 7.982 8.392 -5.186 1.00 2.12 H new ATOM 0 HG SER A 5 9.150 10.326 -5.712 1.00 20.21 H new ATOM 71 N ASN A 6 10.062 5.987 -4.587 1.00 4.05 N ATOM 72 CA ASN A 6 11.103 5.591 -3.645 1.00 44.10 C ATOM 73 C ASN A 6 11.950 4.457 -4.216 1.00 3.54 C ATOM 74 O ASN A 6 13.177 4.471 -4.109 1.00 10.51 O ATOM 75 CB ASN A 6 10.481 5.158 -2.316 1.00 54.42 C ATOM 76 CG ASN A 6 11.521 4.937 -1.235 1.00 53.00 C ATOM 77 OD1 ASN A 6 12.257 3.837 -1.339 1.00 12.21 O flip ATOM 78 ND2 ASN A 6 11.661 5.746 -0.318 1.00 33.53 N flip ATOM 0 H ASN A 6 9.145 5.584 -4.395 1.00 4.05 H new ATOM 0 HA ASN A 6 11.748 6.452 -3.472 1.00 44.10 H new ATOM 0 HB2 ASN A 6 9.773 5.918 -1.985 1.00 54.42 H new ATOM 0 HB3 ASN A 6 9.915 4.238 -2.465 1.00 54.42 H new ATOM 0 HD21 ASN A 6 11.073 6.578 -0.278 1.00 33.53 H new ATOM 0 HD22 ASN A 6 12.365 5.584 0.402 1.00 33.53 H new ATOM 85 N ILE A 7 11.287 3.478 -4.821 1.00 44.34 N ATOM 86 CA ILE A 7 11.979 2.338 -5.410 1.00 41.31 C ATOM 87 C ILE A 7 13.079 2.795 -6.363 1.00 32.21 C ATOM 88 O ILE A 7 14.207 2.307 -6.303 1.00 11.12 O ATOM 89 CB ILE A 7 11.005 1.420 -6.171 1.00 54.11 C ATOM 90 CG1 ILE A 7 10.025 0.761 -5.198 1.00 10.32 C ATOM 91 CG2 ILE A 7 11.772 0.365 -6.954 1.00 5.24 C ATOM 92 CD1 ILE A 7 8.672 0.468 -5.808 1.00 1.42 C ATOM 0 H ILE A 7 10.272 3.451 -4.916 1.00 44.34 H new ATOM 0 HA ILE A 7 12.424 1.779 -4.587 1.00 41.31 H new ATOM 0 HB ILE A 7 10.436 2.025 -6.877 1.00 54.11 H new ATOM 0 HG12 ILE A 7 10.459 -0.170 -4.833 1.00 10.32 H new ATOM 0 HG13 ILE A 7 9.892 1.411 -4.333 1.00 10.32 H new ATOM 0 HG21 ILE A 7 11.069 -0.276 -7.486 1.00 5.24 H new ATOM 0 HG22 ILE A 7 12.433 0.853 -7.671 1.00 5.24 H new ATOM 0 HG23 ILE A 7 12.365 -0.239 -6.267 1.00 5.24 H new ATOM 0 HD11 ILE A 7 8.030 0.002 -5.061 1.00 1.42 H new ATOM 0 HD12 ILE A 7 8.217 1.398 -6.148 1.00 1.42 H new ATOM 0 HD13 ILE A 7 8.793 -0.207 -6.655 1.00 1.42 H new ATOM 104 N GLU A 8 12.742 3.735 -7.240 1.00 74.12 N ATOM 105 CA GLU A 8 13.702 4.258 -8.205 1.00 74.12 C ATOM 106 C GLU A 8 14.990 4.690 -7.511 1.00 63.33 C ATOM 107 O GLU A 8 16.088 4.363 -7.961 1.00 41.51 O ATOM 108 CB GLU A 8 13.099 5.440 -8.968 1.00 24.12 C ATOM 109 CG GLU A 8 12.485 5.054 -10.303 1.00 33.44 C ATOM 110 CD GLU A 8 11.057 4.562 -10.167 1.00 32.23 C ATOM 111 OE1 GLU A 8 10.696 4.081 -9.072 1.00 54.42 O ATOM 112 OE2 GLU A 8 10.300 4.658 -11.156 1.00 23.21 O ATOM 0 H GLU A 8 11.812 4.150 -7.302 1.00 74.12 H new ATOM 0 HA GLU A 8 13.940 3.462 -8.911 1.00 74.12 H new ATOM 0 HB2 GLU A 8 12.335 5.909 -8.349 1.00 24.12 H new ATOM 0 HB3 GLU A 8 13.875 6.186 -9.137 1.00 24.12 H new ATOM 0 HG2 GLU A 8 12.507 5.915 -10.971 1.00 33.44 H new ATOM 0 HG3 GLU A 8 13.091 4.275 -10.766 1.00 33.44 H new ATOM 119 N GLU A 9 14.847 5.426 -6.414 1.00 35.44 N ATOM 120 CA GLU A 9 15.999 5.903 -5.659 1.00 0.24 C ATOM 121 C GLU A 9 16.775 4.737 -5.054 1.00 33.52 C ATOM 122 O GLU A 9 18.004 4.697 -5.113 1.00 12.52 O ATOM 123 CB GLU A 9 15.551 6.860 -4.552 1.00 52.20 C ATOM 124 CG GLU A 9 16.704 7.515 -3.810 1.00 34.25 C ATOM 125 CD GLU A 9 16.247 8.285 -2.586 1.00 10.21 C ATOM 126 OE1 GLU A 9 15.176 8.923 -2.651 1.00 53.34 O ATOM 127 OE2 GLU A 9 16.962 8.249 -1.562 1.00 53.43 O ATOM 0 H GLU A 9 13.945 5.705 -6.028 1.00 35.44 H new ATOM 0 HA GLU A 9 16.656 6.436 -6.347 1.00 0.24 H new ATOM 0 HB2 GLU A 9 14.922 7.637 -4.987 1.00 52.20 H new ATOM 0 HB3 GLU A 9 14.934 6.313 -3.838 1.00 52.20 H new ATOM 0 HG2 GLU A 9 17.418 6.749 -3.507 1.00 34.25 H new ATOM 0 HG3 GLU A 9 17.229 8.191 -4.485 1.00 34.25 H new ATOM 134 N ARG A 10 16.047 3.788 -4.472 1.00 44.32 N ATOM 135 CA ARG A 10 16.666 2.622 -3.855 1.00 23.51 C ATOM 136 C ARG A 10 17.441 1.807 -4.887 1.00 34.21 C ATOM 137 O ARG A 10 18.652 1.624 -4.767 1.00 41.12 O ATOM 138 CB ARG A 10 15.603 1.745 -3.191 1.00 32.10 C ATOM 139 CG ARG A 10 15.562 1.878 -1.677 1.00 71.04 C ATOM 140 CD ARG A 10 14.366 1.148 -1.086 1.00 61.01 C ATOM 141 NE ARG A 10 14.763 0.196 -0.052 1.00 74.33 N ATOM 142 CZ ARG A 10 13.934 -0.268 0.876 1.00 33.43 C ATOM 143 NH1 ARG A 10 12.669 0.130 0.900 1.00 63.23 N ATOM 144 NH2 ARG A 10 14.369 -1.133 1.784 1.00 62.14 N ATOM 0 H ARG A 10 15.029 3.805 -4.415 1.00 44.32 H new ATOM 0 HA ARG A 10 17.365 2.973 -3.095 1.00 23.51 H new ATOM 0 HB2 ARG A 10 14.625 2.004 -3.597 1.00 32.10 H new ATOM 0 HB3 ARG A 10 15.790 0.703 -3.451 1.00 32.10 H new ATOM 0 HG2 ARG A 10 16.481 1.477 -1.250 1.00 71.04 H new ATOM 0 HG3 ARG A 10 15.517 2.932 -1.404 1.00 71.04 H new ATOM 0 HD2 ARG A 10 13.671 1.874 -0.663 1.00 61.01 H new ATOM 0 HD3 ARG A 10 13.834 0.622 -1.879 1.00 61.01 H new ATOM 0 HE ARG A 10 15.729 -0.130 -0.042 1.00 74.33 H new ATOM 0 HH11 ARG A 10 12.330 0.794 0.204 1.00 63.23 H new ATOM 0 HH12 ARG A 10 12.035 -0.228 1.614 1.00 63.23 H new ATOM 0 HH21 ARG A 10 15.341 -1.442 1.770 1.00 62.14 H new ATOM 0 HH22 ARG A 10 13.731 -1.489 2.496 1.00 62.14 H new ATOM 158 N VAL A 11 16.732 1.319 -5.900 1.00 63.34 N ATOM 159 CA VAL A 11 17.352 0.524 -6.954 1.00 24.02 C ATOM 160 C VAL A 11 18.605 1.207 -7.492 1.00 74.24 C ATOM 161 O VAL A 11 19.657 0.582 -7.627 1.00 51.14 O ATOM 162 CB VAL A 11 16.375 0.275 -8.118 1.00 44.32 C ATOM 163 CG1 VAL A 11 17.007 -0.635 -9.161 1.00 2.35 C ATOM 164 CG2 VAL A 11 15.072 -0.315 -7.603 1.00 31.55 C ATOM 0 H VAL A 11 15.728 1.460 -6.013 1.00 63.34 H new ATOM 0 HA VAL A 11 17.626 -0.433 -6.510 1.00 24.02 H new ATOM 0 HB VAL A 11 16.152 1.231 -8.592 1.00 44.32 H new ATOM 0 HG11 VAL A 11 16.302 -0.800 -9.976 1.00 2.35 H new ATOM 0 HG12 VAL A 11 17.911 -0.167 -9.552 1.00 2.35 H new ATOM 0 HG13 VAL A 11 17.262 -1.591 -8.703 1.00 2.35 H new ATOM 0 HG21 VAL A 11 14.394 -0.484 -8.439 1.00 31.55 H new ATOM 0 HG22 VAL A 11 15.274 -1.262 -7.102 1.00 31.55 H new ATOM 0 HG23 VAL A 11 14.613 0.378 -6.898 1.00 31.55 H new ATOM 174 N LYS A 12 18.484 2.494 -7.799 1.00 4.13 N ATOM 175 CA LYS A 12 19.607 3.265 -8.321 1.00 75.44 C ATOM 176 C LYS A 12 20.755 3.302 -7.318 1.00 40.23 C ATOM 177 O LYS A 12 21.919 3.135 -7.684 1.00 74.13 O ATOM 178 CB LYS A 12 19.161 4.690 -8.656 1.00 61.13 C ATOM 179 CG LYS A 12 18.785 4.883 -10.115 1.00 61.32 C ATOM 180 CD LYS A 12 17.533 4.101 -10.476 1.00 42.15 C ATOM 181 CE LYS A 12 17.449 3.843 -11.973 1.00 44.41 C ATOM 182 NZ LYS A 12 17.162 5.090 -12.735 1.00 43.13 N ATOM 0 H LYS A 12 17.620 3.026 -7.695 1.00 4.13 H new ATOM 0 HA LYS A 12 19.959 2.778 -9.230 1.00 75.44 H new ATOM 0 HB2 LYS A 12 18.306 4.950 -8.032 1.00 61.13 H new ATOM 0 HB3 LYS A 12 19.964 5.382 -8.402 1.00 61.13 H new ATOM 0 HG2 LYS A 12 18.623 5.943 -10.313 1.00 61.32 H new ATOM 0 HG3 LYS A 12 19.611 4.563 -10.750 1.00 61.32 H new ATOM 0 HD2 LYS A 12 17.529 3.151 -9.941 1.00 42.15 H new ATOM 0 HD3 LYS A 12 16.651 4.653 -10.151 1.00 42.15 H new ATOM 0 HE2 LYS A 12 18.388 3.413 -12.321 1.00 44.41 H new ATOM 0 HE3 LYS A 12 16.669 3.108 -12.172 1.00 44.41 H new ATOM 0 HZ1 LYS A 12 16.704 4.848 -13.637 1.00 43.13 H new ATOM 0 HZ2 LYS A 12 16.529 5.699 -12.178 1.00 43.13 H new ATOM 0 HZ3 LYS A 12 18.052 5.595 -12.923 1.00 43.13 H new ATOM 196 N LYS A 13 20.421 3.521 -6.051 1.00 52.31 N ATOM 197 CA LYS A 13 21.423 3.578 -4.994 1.00 22.12 C ATOM 198 C LYS A 13 22.281 2.316 -4.989 1.00 15.34 C ATOM 199 O LYS A 13 23.498 2.383 -4.819 1.00 3.10 O ATOM 200 CB LYS A 13 20.748 3.754 -3.632 1.00 2.23 C ATOM 201 CG LYS A 13 21.712 3.674 -2.460 1.00 72.04 C ATOM 202 CD LYS A 13 21.054 4.120 -1.165 1.00 72.24 C ATOM 203 CE LYS A 13 20.040 3.097 -0.675 1.00 1.55 C ATOM 204 NZ LYS A 13 19.933 3.092 0.811 1.00 73.02 N ATOM 0 H LYS A 13 19.463 3.662 -5.731 1.00 52.31 H new ATOM 0 HA LYS A 13 22.069 4.435 -5.186 1.00 22.12 H new ATOM 0 HB2 LYS A 13 20.241 4.719 -3.609 1.00 2.23 H new ATOM 0 HB3 LYS A 13 19.982 2.988 -3.514 1.00 2.23 H new ATOM 0 HG2 LYS A 13 22.072 2.651 -2.353 1.00 72.04 H new ATOM 0 HG3 LYS A 13 22.583 4.298 -2.661 1.00 72.04 H new ATOM 0 HD2 LYS A 13 21.817 4.273 -0.402 1.00 72.24 H new ATOM 0 HD3 LYS A 13 20.560 5.079 -1.318 1.00 72.24 H new ATOM 0 HE2 LYS A 13 19.064 3.316 -1.109 1.00 1.55 H new ATOM 0 HE3 LYS A 13 20.328 2.105 -1.022 1.00 1.55 H new ATOM 0 HZ1 LYS A 13 19.233 2.382 1.106 1.00 73.02 H new ATOM 0 HZ2 LYS A 13 20.858 2.859 1.225 1.00 73.02 H new ATOM 0 HZ3 LYS A 13 19.634 4.032 1.141 1.00 73.02 H new ATOM 218 N ILE A 14 21.638 1.169 -5.177 1.00 34.23 N ATOM 219 CA ILE A 14 22.342 -0.107 -5.196 1.00 44.12 C ATOM 220 C ILE A 14 23.268 -0.205 -6.404 1.00 74.43 C ATOM 221 O ILE A 14 24.463 -0.465 -6.264 1.00 20.25 O ATOM 222 CB ILE A 14 21.360 -1.293 -5.218 1.00 52.42 C ATOM 223 CG1 ILE A 14 20.600 -1.378 -3.893 1.00 55.11 C ATOM 224 CG2 ILE A 14 22.103 -2.591 -5.493 1.00 60.32 C ATOM 225 CD1 ILE A 14 19.115 -1.125 -4.031 1.00 74.11 C ATOM 0 H ILE A 14 20.630 1.097 -5.318 1.00 34.23 H new ATOM 0 HA ILE A 14 22.934 -0.154 -4.282 1.00 44.12 H new ATOM 0 HB ILE A 14 20.639 -1.134 -6.020 1.00 52.42 H new ATOM 0 HG12 ILE A 14 20.753 -2.366 -3.458 1.00 55.11 H new ATOM 0 HG13 ILE A 14 21.020 -0.654 -3.195 1.00 55.11 H new ATOM 0 HG21 ILE A 14 21.395 -3.420 -5.505 1.00 60.32 H new ATOM 0 HG22 ILE A 14 22.603 -2.526 -6.459 1.00 60.32 H new ATOM 0 HG23 ILE A 14 22.844 -2.759 -4.712 1.00 60.32 H new ATOM 0 HD11 ILE A 14 18.640 -1.201 -3.053 1.00 74.11 H new ATOM 0 HD12 ILE A 14 18.952 -0.126 -4.436 1.00 74.11 H new ATOM 0 HD13 ILE A 14 18.681 -1.865 -4.704 1.00 74.11 H new ATOM 237 N ILE A 15 22.707 0.006 -7.590 1.00 63.44 N ATOM 238 CA ILE A 15 23.483 -0.056 -8.823 1.00 31.50 C ATOM 239 C ILE A 15 24.617 0.963 -8.811 1.00 31.01 C ATOM 240 O ILE A 15 25.663 0.752 -9.425 1.00 33.31 O ATOM 241 CB ILE A 15 22.597 0.192 -10.058 1.00 65.14 C ATOM 242 CG1 ILE A 15 21.565 -0.928 -10.207 1.00 1.35 C ATOM 243 CG2 ILE A 15 23.454 0.299 -11.311 1.00 41.01 C ATOM 244 CD1 ILE A 15 20.140 -0.428 -10.295 1.00 42.24 C ATOM 0 H ILE A 15 21.719 0.221 -7.723 1.00 63.44 H new ATOM 0 HA ILE A 15 23.902 -1.061 -8.882 1.00 31.50 H new ATOM 0 HB ILE A 15 22.066 1.134 -9.922 1.00 65.14 H new ATOM 0 HG12 ILE A 15 21.795 -1.506 -11.102 1.00 1.35 H new ATOM 0 HG13 ILE A 15 21.652 -1.606 -9.358 1.00 1.35 H new ATOM 0 HG21 ILE A 15 22.814 0.474 -12.176 1.00 41.01 H new ATOM 0 HG22 ILE A 15 24.154 1.128 -11.204 1.00 41.01 H new ATOM 0 HG23 ILE A 15 24.009 -0.628 -11.452 1.00 41.01 H new ATOM 0 HD11 ILE A 15 19.463 -1.276 -10.399 1.00 42.24 H new ATOM 0 HD12 ILE A 15 19.892 0.125 -9.389 1.00 42.24 H new ATOM 0 HD13 ILE A 15 20.037 0.227 -11.160 1.00 42.24 H new ATOM 256 N VAL A 16 24.403 2.069 -8.106 1.00 1.51 N ATOM 257 CA VAL A 16 25.408 3.121 -8.011 1.00 2.44 C ATOM 258 C VAL A 16 26.410 2.826 -6.900 1.00 73.50 C ATOM 259 O VAL A 16 27.548 3.292 -6.937 1.00 53.22 O ATOM 260 CB VAL A 16 24.761 4.494 -7.751 1.00 14.55 C ATOM 261 CG1 VAL A 16 25.828 5.553 -7.519 1.00 50.24 C ATOM 262 CG2 VAL A 16 23.854 4.883 -8.909 1.00 0.44 C ATOM 0 H VAL A 16 23.543 2.260 -7.592 1.00 1.51 H new ATOM 0 HA VAL A 16 25.928 3.148 -8.968 1.00 2.44 H new ATOM 0 HB VAL A 16 24.152 4.424 -6.850 1.00 14.55 H new ATOM 0 HG11 VAL A 16 25.351 6.516 -7.337 1.00 50.24 H new ATOM 0 HG12 VAL A 16 26.432 5.278 -6.654 1.00 50.24 H new ATOM 0 HG13 VAL A 16 26.467 5.625 -8.399 1.00 50.24 H new ATOM 0 HG21 VAL A 16 23.405 5.856 -8.709 1.00 0.44 H new ATOM 0 HG22 VAL A 16 24.439 4.935 -9.827 1.00 0.44 H new ATOM 0 HG23 VAL A 16 23.068 4.137 -9.022 1.00 0.44 H new ATOM 272 N GLU A 17 25.978 2.047 -5.913 1.00 72.41 N ATOM 273 CA GLU A 17 26.838 1.689 -4.791 1.00 72.21 C ATOM 274 C GLU A 17 27.613 0.408 -5.086 1.00 72.15 C ATOM 275 O GLU A 17 28.566 0.072 -4.384 1.00 73.31 O ATOM 276 CB GLU A 17 26.007 1.513 -3.519 1.00 14.05 C ATOM 277 CG GLU A 17 25.666 2.823 -2.828 1.00 42.11 C ATOM 278 CD GLU A 17 26.752 3.278 -1.873 1.00 2.33 C ATOM 279 OE1 GLU A 17 27.943 3.180 -2.236 1.00 74.14 O ATOM 280 OE2 GLU A 17 26.411 3.734 -0.761 1.00 32.41 O ATOM 0 H GLU A 17 25.039 1.652 -5.868 1.00 72.41 H new ATOM 0 HA GLU A 17 27.552 2.499 -4.641 1.00 72.21 H new ATOM 0 HB2 GLU A 17 25.083 0.992 -3.768 1.00 14.05 H new ATOM 0 HB3 GLU A 17 26.554 0.877 -2.823 1.00 14.05 H new ATOM 0 HG2 GLU A 17 25.502 3.595 -3.580 1.00 42.11 H new ATOM 0 HG3 GLU A 17 24.731 2.708 -2.280 1.00 42.11 H new ATOM 287 N GLN A 18 27.196 -0.302 -6.130 1.00 13.20 N ATOM 288 CA GLN A 18 27.850 -1.546 -6.517 1.00 74.14 C ATOM 289 C GLN A 18 28.669 -1.357 -7.790 1.00 73.30 C ATOM 290 O GLN A 18 29.871 -1.623 -7.812 1.00 62.52 O ATOM 291 CB GLN A 18 26.811 -2.650 -6.724 1.00 51.24 C ATOM 292 CG GLN A 18 26.693 -3.603 -5.546 1.00 15.42 C ATOM 293 CD GLN A 18 25.276 -4.100 -5.337 1.00 53.14 C ATOM 294 OE1 GLN A 18 24.606 -4.515 -6.283 1.00 72.35 O ATOM 295 NE2 GLN A 18 24.811 -4.061 -4.094 1.00 40.51 N ATOM 0 H GLN A 18 26.409 -0.037 -6.722 1.00 13.20 H new ATOM 0 HA GLN A 18 28.525 -1.838 -5.712 1.00 74.14 H new ATOM 0 HB2 GLN A 18 25.839 -2.193 -6.909 1.00 51.24 H new ATOM 0 HB3 GLN A 18 27.071 -3.219 -7.617 1.00 51.24 H new ATOM 0 HG2 GLN A 18 27.353 -4.456 -5.706 1.00 15.42 H new ATOM 0 HG3 GLN A 18 27.035 -3.100 -4.641 1.00 15.42 H new ATOM 0 HE21 GLN A 18 25.401 -3.709 -3.340 1.00 40.51 H new ATOM 0 HE22 GLN A 18 23.864 -4.383 -3.893 1.00 40.51 H new ATOM 304 N LEU A 19 28.011 -0.897 -8.848 1.00 53.12 N ATOM 305 CA LEU A 19 28.678 -0.672 -10.126 1.00 31.51 C ATOM 306 C LEU A 19 29.438 0.650 -10.118 1.00 61.14 C ATOM 307 O LEU A 19 30.443 0.804 -10.811 1.00 21.20 O ATOM 308 CB LEU A 19 27.657 -0.680 -11.265 1.00 70.41 C ATOM 309 CG LEU A 19 26.723 -1.890 -11.321 1.00 63.02 C ATOM 310 CD1 LEU A 19 25.841 -1.826 -12.558 1.00 71.32 C ATOM 311 CD2 LEU A 19 27.525 -3.184 -11.302 1.00 14.44 C ATOM 0 H LEU A 19 27.016 -0.672 -8.847 1.00 53.12 H new ATOM 0 HA LEU A 19 29.393 -1.480 -10.282 1.00 31.51 H new ATOM 0 HB2 LEU A 19 27.048 0.221 -11.186 1.00 70.41 H new ATOM 0 HB3 LEU A 19 28.196 -0.619 -12.210 1.00 70.41 H new ATOM 0 HG LEU A 19 26.081 -1.871 -10.440 1.00 63.02 H new ATOM 0 HD11 LEU A 19 25.183 -2.695 -12.581 1.00 71.32 H new ATOM 0 HD12 LEU A 19 25.240 -0.917 -12.530 1.00 71.32 H new ATOM 0 HD13 LEU A 19 26.466 -1.820 -13.451 1.00 71.32 H new ATOM 0 HD21 LEU A 19 26.844 -4.034 -11.342 1.00 14.44 H new ATOM 0 HD22 LEU A 19 28.192 -3.212 -12.164 1.00 14.44 H new ATOM 0 HD23 LEU A 19 28.114 -3.234 -10.386 1.00 14.44 H new ATOM 323 N GLY A 20 28.952 1.602 -9.328 1.00 13.02 N ATOM 324 CA GLY A 20 29.599 2.898 -9.243 1.00 52.21 C ATOM 325 C GLY A 20 28.984 3.916 -10.184 1.00 23.42 C ATOM 326 O GLY A 20 29.118 5.122 -9.978 1.00 53.13 O ATOM 0 H GLY A 20 28.121 1.499 -8.745 1.00 13.02 H new ATOM 0 HA2 GLY A 20 29.533 3.267 -8.220 1.00 52.21 H new ATOM 0 HA3 GLY A 20 30.658 2.788 -9.474 1.00 52.21 H new ATOM 330 N VAL A 21 28.310 3.429 -11.221 1.00 33.13 N ATOM 331 CA VAL A 21 27.673 4.304 -12.197 1.00 52.33 C ATOM 332 C VAL A 21 26.742 5.302 -11.517 1.00 32.52 C ATOM 333 O VAL A 21 26.355 5.117 -10.363 1.00 13.23 O ATOM 334 CB VAL A 21 26.872 3.497 -13.236 1.00 53.32 C ATOM 335 CG1 VAL A 21 27.808 2.699 -14.130 1.00 62.20 C ATOM 336 CG2 VAL A 21 25.873 2.582 -12.544 1.00 53.22 C ATOM 0 H VAL A 21 28.191 2.433 -11.407 1.00 33.13 H new ATOM 0 HA VAL A 21 28.471 4.845 -12.705 1.00 52.33 H new ATOM 0 HB VAL A 21 26.317 4.195 -13.863 1.00 53.32 H new ATOM 0 HG11 VAL A 21 27.224 2.135 -14.857 1.00 62.20 H new ATOM 0 HG12 VAL A 21 28.480 3.380 -14.653 1.00 62.20 H new ATOM 0 HG13 VAL A 21 28.392 2.009 -13.521 1.00 62.20 H new ATOM 0 HG21 VAL A 21 25.316 2.019 -13.293 1.00 53.22 H new ATOM 0 HG22 VAL A 21 26.405 1.890 -11.892 1.00 53.22 H new ATOM 0 HG23 VAL A 21 25.181 3.181 -11.951 1.00 53.22 H new ATOM 346 N ASP A 22 26.386 6.358 -12.239 1.00 72.12 N ATOM 347 CA ASP A 22 25.498 7.385 -11.706 1.00 22.21 C ATOM 348 C ASP A 22 24.037 7.011 -11.933 1.00 14.02 C ATOM 349 O ASP A 22 23.693 6.399 -12.943 1.00 52.24 O ATOM 350 CB ASP A 22 25.799 8.736 -12.356 1.00 14.42 C ATOM 351 CG ASP A 22 25.500 9.902 -11.433 1.00 25.42 C ATOM 352 OD1 ASP A 22 24.315 10.104 -11.096 1.00 52.13 O ATOM 353 OD2 ASP A 22 26.453 10.610 -11.046 1.00 51.43 O ATOM 0 H ASP A 22 26.699 6.526 -13.195 1.00 72.12 H new ATOM 0 HA ASP A 22 25.672 7.460 -10.633 1.00 22.21 H new ATOM 0 HB2 ASP A 22 26.848 8.769 -12.650 1.00 14.42 H new ATOM 0 HB3 ASP A 22 25.209 8.837 -13.267 1.00 14.42 H new ATOM 358 N GLU A 23 23.182 7.383 -10.985 1.00 30.42 N ATOM 359 CA GLU A 23 21.758 7.084 -11.081 1.00 51.13 C ATOM 360 C GLU A 23 21.167 7.660 -12.365 1.00 1.20 C ATOM 361 O GLU A 23 20.143 7.187 -12.856 1.00 70.14 O ATOM 362 CB GLU A 23 21.013 7.644 -9.868 1.00 3.42 C ATOM 363 CG GLU A 23 21.245 9.129 -9.644 1.00 1.33 C ATOM 364 CD GLU A 23 20.640 9.625 -8.345 1.00 20.35 C ATOM 365 OE1 GLU A 23 19.397 9.719 -8.266 1.00 25.10 O ATOM 366 OE2 GLU A 23 21.410 9.918 -7.406 1.00 62.00 O ATOM 0 H GLU A 23 23.451 7.891 -10.143 1.00 30.42 H new ATOM 0 HA GLU A 23 21.641 6.000 -11.101 1.00 51.13 H new ATOM 0 HB2 GLU A 23 19.945 7.467 -9.994 1.00 3.42 H new ATOM 0 HB3 GLU A 23 21.324 7.098 -8.977 1.00 3.42 H new ATOM 0 HG2 GLU A 23 22.316 9.329 -9.641 1.00 1.33 H new ATOM 0 HG3 GLU A 23 20.819 9.689 -10.476 1.00 1.33 H new ATOM 373 N ALA A 24 21.820 8.685 -12.902 1.00 45.31 N ATOM 374 CA ALA A 24 21.362 9.326 -14.129 1.00 33.55 C ATOM 375 C ALA A 24 21.903 8.606 -15.359 1.00 62.01 C ATOM 376 O ALA A 24 21.184 8.402 -16.336 1.00 54.23 O ATOM 377 CB ALA A 24 21.775 10.790 -14.146 1.00 62.42 C ATOM 0 H ALA A 24 22.669 9.090 -12.506 1.00 45.31 H new ATOM 0 HA ALA A 24 20.274 9.268 -14.156 1.00 33.55 H new ATOM 0 HB1 ALA A 24 21.426 11.256 -15.068 1.00 62.42 H new ATOM 0 HB2 ALA A 24 21.334 11.302 -13.291 1.00 62.42 H new ATOM 0 HB3 ALA A 24 22.861 10.862 -14.091 1.00 62.42 H new ATOM 383 N GLU A 25 23.175 8.224 -15.304 1.00 4.41 N ATOM 384 CA GLU A 25 23.813 7.529 -16.416 1.00 35.11 C ATOM 385 C GLU A 25 23.205 6.143 -16.610 1.00 71.45 C ATOM 386 O GLU A 25 22.999 5.695 -17.739 1.00 3.32 O ATOM 387 CB GLU A 25 25.319 7.408 -16.175 1.00 52.33 C ATOM 388 CG GLU A 25 26.023 8.748 -16.042 1.00 10.13 C ATOM 389 CD GLU A 25 27.475 8.605 -15.627 1.00 53.44 C ATOM 390 OE1 GLU A 25 27.842 7.529 -15.112 1.00 62.03 O ATOM 391 OE2 GLU A 25 28.243 9.571 -15.819 1.00 2.00 O ATOM 0 H GLU A 25 23.784 8.384 -14.501 1.00 4.41 H new ATOM 0 HA GLU A 25 23.644 8.112 -17.321 1.00 35.11 H new ATOM 0 HB2 GLU A 25 25.488 6.827 -15.269 1.00 52.33 H new ATOM 0 HB3 GLU A 25 25.767 6.852 -16.999 1.00 52.33 H new ATOM 0 HG2 GLU A 25 25.971 9.277 -16.993 1.00 10.13 H new ATOM 0 HG3 GLU A 25 25.498 9.359 -15.308 1.00 10.13 H new ATOM 398 N VAL A 26 22.920 5.467 -15.502 1.00 21.13 N ATOM 399 CA VAL A 26 22.336 4.132 -15.549 1.00 32.11 C ATOM 400 C VAL A 26 21.099 4.105 -16.439 1.00 74.33 C ATOM 401 O VAL A 26 20.291 5.034 -16.428 1.00 42.23 O ATOM 402 CB VAL A 26 21.953 3.637 -14.142 1.00 31.25 C ATOM 403 CG1 VAL A 26 20.801 4.457 -13.582 1.00 10.53 C ATOM 404 CG2 VAL A 26 21.598 2.158 -14.176 1.00 14.12 C ATOM 0 H VAL A 26 23.084 5.822 -14.560 1.00 21.13 H new ATOM 0 HA VAL A 26 23.095 3.469 -15.965 1.00 32.11 H new ATOM 0 HB VAL A 26 22.813 3.766 -13.484 1.00 31.25 H new ATOM 0 HG11 VAL A 26 20.545 4.092 -12.587 1.00 10.53 H new ATOM 0 HG12 VAL A 26 21.096 5.504 -13.520 1.00 10.53 H new ATOM 0 HG13 VAL A 26 19.935 4.363 -14.237 1.00 10.53 H new ATOM 0 HG21 VAL A 26 21.330 1.825 -13.173 1.00 14.12 H new ATOM 0 HG22 VAL A 26 20.754 2.002 -14.848 1.00 14.12 H new ATOM 0 HG23 VAL A 26 22.455 1.586 -14.531 1.00 14.12 H new ATOM 414 N LYS A 27 20.955 3.032 -17.210 1.00 50.35 N ATOM 415 CA LYS A 27 19.815 2.881 -18.107 1.00 42.11 C ATOM 416 C LYS A 27 18.824 1.859 -17.560 1.00 0.05 C ATOM 417 O LYS A 27 19.213 0.781 -17.112 1.00 44.30 O ATOM 418 CB LYS A 27 20.288 2.454 -19.499 1.00 12.24 C ATOM 419 CG LYS A 27 20.989 3.560 -20.269 1.00 32.04 C ATOM 420 CD LYS A 27 21.670 3.025 -21.517 1.00 71.20 C ATOM 421 CE LYS A 27 22.547 4.082 -22.170 1.00 40.01 C ATOM 422 NZ LYS A 27 23.472 3.491 -23.177 1.00 14.12 N ATOM 0 H LYS A 27 21.614 2.254 -17.232 1.00 50.35 H new ATOM 0 HA LYS A 27 19.312 3.845 -18.181 1.00 42.11 H new ATOM 0 HB2 LYS A 27 20.966 1.606 -19.399 1.00 12.24 H new ATOM 0 HB3 LYS A 27 19.429 2.109 -20.075 1.00 12.24 H new ATOM 0 HG2 LYS A 27 20.265 4.325 -20.548 1.00 32.04 H new ATOM 0 HG3 LYS A 27 21.728 4.039 -19.627 1.00 32.04 H new ATOM 0 HD2 LYS A 27 22.276 2.157 -21.258 1.00 71.20 H new ATOM 0 HD3 LYS A 27 20.916 2.687 -22.228 1.00 71.20 H new ATOM 0 HE2 LYS A 27 21.917 4.830 -22.651 1.00 40.01 H new ATOM 0 HE3 LYS A 27 23.126 4.598 -21.404 1.00 40.01 H new ATOM 0 HZ1 LYS A 27 24.052 4.244 -23.599 1.00 14.12 H new ATOM 0 HZ2 LYS A 27 24.091 2.795 -22.714 1.00 14.12 H new ATOM 0 HZ3 LYS A 27 22.919 3.021 -23.922 1.00 14.12 H new ATOM 436 N ASN A 28 17.541 2.205 -17.600 1.00 23.21 N ATOM 437 CA ASN A 28 16.494 1.316 -17.108 1.00 44.35 C ATOM 438 C ASN A 28 16.197 0.214 -18.121 1.00 13.34 C ATOM 439 O ASN A 28 15.891 -0.918 -17.748 1.00 15.43 O ATOM 440 CB ASN A 28 15.220 2.110 -16.813 1.00 4.25 C ATOM 441 CG ASN A 28 15.258 2.778 -15.451 1.00 63.05 C ATOM 442 OD1 ASN A 28 15.836 3.853 -15.291 1.00 55.53 O ATOM 443 ND2 ASN A 28 14.642 2.141 -14.463 1.00 15.12 N ATOM 0 H ASN A 28 17.202 3.094 -17.968 1.00 23.21 H new ATOM 0 HA ASN A 28 16.847 0.853 -16.187 1.00 44.35 H new ATOM 0 HB2 ASN A 28 15.081 2.869 -17.583 1.00 4.25 H new ATOM 0 HB3 ASN A 28 14.359 1.443 -16.864 1.00 4.25 H new ATOM 0 HD21 ASN A 28 14.635 2.541 -13.525 1.00 15.12 H new ATOM 0 HD22 ASN A 28 14.176 1.252 -14.642 1.00 15.12 H new ATOM 450 N GLU A 29 16.290 0.555 -19.402 1.00 72.54 N ATOM 451 CA GLU A 29 16.030 -0.406 -20.468 1.00 21.51 C ATOM 452 C GLU A 29 17.323 -1.080 -20.920 1.00 35.44 C ATOM 453 O GLU A 29 17.553 -1.267 -22.114 1.00 30.21 O ATOM 454 CB GLU A 29 15.360 0.285 -21.657 1.00 3.50 C ATOM 455 CG GLU A 29 16.135 1.484 -22.179 1.00 61.44 C ATOM 456 CD GLU A 29 15.731 1.870 -23.589 1.00 62.00 C ATOM 457 OE1 GLU A 29 14.570 1.605 -23.966 1.00 43.53 O ATOM 458 OE2 GLU A 29 16.575 2.436 -24.315 1.00 1.15 O ATOM 0 H GLU A 29 16.543 1.488 -19.727 1.00 72.54 H new ATOM 0 HA GLU A 29 15.359 -1.171 -20.077 1.00 21.51 H new ATOM 0 HB2 GLU A 29 15.237 -0.437 -22.464 1.00 3.50 H new ATOM 0 HB3 GLU A 29 14.361 0.608 -21.363 1.00 3.50 H new ATOM 0 HG2 GLU A 29 15.975 2.333 -21.514 1.00 61.44 H new ATOM 0 HG3 GLU A 29 17.201 1.259 -22.159 1.00 61.44 H new ATOM 465 N ALA A 30 18.162 -1.442 -19.955 1.00 64.53 N ATOM 466 CA ALA A 30 19.431 -2.097 -20.253 1.00 14.43 C ATOM 467 C ALA A 30 19.692 -3.251 -19.291 1.00 11.43 C ATOM 468 O ALA A 30 19.140 -3.292 -18.191 1.00 53.13 O ATOM 469 CB ALA A 30 20.570 -1.090 -20.194 1.00 60.05 C ATOM 0 H ALA A 30 17.987 -1.293 -18.961 1.00 64.53 H new ATOM 0 HA ALA A 30 19.373 -2.506 -21.262 1.00 14.43 H new ATOM 0 HB1 ALA A 30 21.511 -1.592 -20.418 1.00 60.05 H new ATOM 0 HB2 ALA A 30 20.396 -0.301 -20.926 1.00 60.05 H new ATOM 0 HB3 ALA A 30 20.620 -0.655 -19.196 1.00 60.05 H new ATOM 475 N SER A 31 20.537 -4.186 -19.712 1.00 35.51 N ATOM 476 CA SER A 31 20.867 -5.344 -18.889 1.00 44.10 C ATOM 477 C SER A 31 22.105 -5.071 -18.039 1.00 53.53 C ATOM 478 O SER A 31 22.598 -3.944 -17.985 1.00 11.22 O ATOM 479 CB SER A 31 21.101 -6.573 -19.770 1.00 42.41 C ATOM 480 OG SER A 31 20.081 -6.702 -20.745 1.00 63.34 O ATOM 0 H SER A 31 21.006 -4.165 -20.618 1.00 35.51 H new ATOM 0 HA SER A 31 20.025 -5.538 -18.224 1.00 44.10 H new ATOM 0 HB2 SER A 31 22.071 -6.493 -20.262 1.00 42.41 H new ATOM 0 HB3 SER A 31 21.131 -7.469 -19.150 1.00 42.41 H new ATOM 0 HG SER A 31 20.060 -7.624 -21.077 1.00 63.34 H new ATOM 486 N PHE A 32 22.601 -6.110 -17.377 1.00 64.11 N ATOM 487 CA PHE A 32 23.781 -5.983 -16.528 1.00 75.45 C ATOM 488 C PHE A 32 25.029 -6.475 -17.255 1.00 40.54 C ATOM 489 O PHE A 32 26.140 -6.023 -16.978 1.00 64.43 O ATOM 490 CB PHE A 32 23.589 -6.772 -15.231 1.00 54.13 C ATOM 491 CG PHE A 32 22.333 -6.411 -14.491 1.00 34.21 C ATOM 492 CD1 PHE A 32 21.885 -5.100 -14.456 1.00 62.24 C ATOM 493 CD2 PHE A 32 21.599 -7.383 -13.830 1.00 30.02 C ATOM 494 CE1 PHE A 32 20.730 -4.766 -13.775 1.00 43.30 C ATOM 495 CE2 PHE A 32 20.443 -7.054 -13.147 1.00 71.51 C ATOM 496 CZ PHE A 32 20.008 -5.744 -13.121 1.00 35.13 C ATOM 0 H PHE A 32 22.205 -7.049 -17.411 1.00 64.11 H new ATOM 0 HA PHE A 32 23.913 -4.928 -16.288 1.00 75.45 H new ATOM 0 HB2 PHE A 32 23.572 -7.837 -15.462 1.00 54.13 H new ATOM 0 HB3 PHE A 32 24.447 -6.601 -14.580 1.00 54.13 H new ATOM 0 HD1 PHE A 32 22.445 -4.331 -14.967 1.00 62.24 H new ATOM 0 HD2 PHE A 32 21.934 -8.410 -13.849 1.00 30.02 H new ATOM 0 HE1 PHE A 32 20.392 -3.740 -13.754 1.00 43.30 H new ATOM 0 HE2 PHE A 32 19.881 -7.821 -12.634 1.00 71.51 H new ATOM 0 HZ PHE A 32 19.104 -5.485 -12.590 1.00 35.13 H new ATOM 506 N VAL A 33 24.837 -7.403 -18.187 1.00 43.03 N ATOM 507 CA VAL A 33 25.946 -7.956 -18.955 1.00 45.01 C ATOM 508 C VAL A 33 25.756 -7.715 -20.448 1.00 55.43 C ATOM 509 O VAL A 33 26.722 -7.507 -21.182 1.00 53.45 O ATOM 510 CB VAL A 33 26.103 -9.468 -18.706 1.00 55.05 C ATOM 511 CG1 VAL A 33 26.646 -9.726 -17.310 1.00 23.34 C ATOM 512 CG2 VAL A 33 24.774 -10.181 -18.911 1.00 3.12 C ATOM 0 H VAL A 33 23.924 -7.788 -18.428 1.00 43.03 H new ATOM 0 HA VAL A 33 26.848 -7.444 -18.620 1.00 45.01 H new ATOM 0 HB VAL A 33 26.818 -9.865 -19.426 1.00 55.05 H new ATOM 0 HG11 VAL A 33 26.750 -10.800 -17.153 1.00 23.34 H new ATOM 0 HG12 VAL A 33 27.620 -9.248 -17.204 1.00 23.34 H new ATOM 0 HG13 VAL A 33 25.958 -9.316 -16.571 1.00 23.34 H new ATOM 0 HG21 VAL A 33 24.902 -11.248 -18.731 1.00 3.12 H new ATOM 0 HG22 VAL A 33 24.036 -9.782 -18.215 1.00 3.12 H new ATOM 0 HG23 VAL A 33 24.431 -10.024 -19.934 1.00 3.12 H new ATOM 522 N ASP A 34 24.503 -7.743 -20.891 1.00 64.30 N ATOM 523 CA ASP A 34 24.185 -7.526 -22.297 1.00 54.14 C ATOM 524 C ASP A 34 24.368 -6.060 -22.676 1.00 2.41 C ATOM 525 O ASP A 34 24.604 -5.733 -23.839 1.00 60.33 O ATOM 526 CB ASP A 34 22.749 -7.965 -22.591 1.00 23.32 C ATOM 527 CG ASP A 34 22.682 -9.346 -23.213 1.00 23.21 C ATOM 528 OD1 ASP A 34 22.964 -10.332 -22.500 1.00 52.11 O ATOM 529 OD2 ASP A 34 22.349 -9.441 -24.413 1.00 61.10 O ATOM 0 H ASP A 34 23.692 -7.914 -20.297 1.00 64.30 H new ATOM 0 HA ASP A 34 24.871 -8.126 -22.895 1.00 54.14 H new ATOM 0 HB2 ASP A 34 22.173 -7.958 -21.665 1.00 23.32 H new ATOM 0 HB3 ASP A 34 22.282 -7.244 -23.262 1.00 23.32 H new ATOM 534 N ASP A 35 24.258 -5.180 -21.686 1.00 75.23 N ATOM 535 CA ASP A 35 24.411 -3.748 -21.915 1.00 63.22 C ATOM 536 C ASP A 35 25.649 -3.214 -21.201 1.00 13.52 C ATOM 537 O ASP A 35 26.666 -2.924 -21.832 1.00 23.14 O ATOM 538 CB ASP A 35 23.167 -2.997 -21.438 1.00 23.31 C ATOM 539 CG ASP A 35 23.292 -1.497 -21.617 1.00 61.14 C ATOM 540 OD1 ASP A 35 23.049 -1.012 -22.742 1.00 61.41 O ATOM 541 OD2 ASP A 35 23.634 -0.808 -20.633 1.00 53.14 O ATOM 0 H ASP A 35 24.063 -5.434 -20.717 1.00 75.23 H new ATOM 0 HA ASP A 35 24.533 -3.587 -22.986 1.00 63.22 H new ATOM 0 HB2 ASP A 35 22.297 -3.354 -21.989 1.00 23.31 H new ATOM 0 HB3 ASP A 35 22.992 -3.221 -20.386 1.00 23.31 H new ATOM 546 N LEU A 36 25.554 -3.084 -19.882 1.00 42.22 N ATOM 547 CA LEU A 36 26.666 -2.583 -19.081 1.00 53.41 C ATOM 548 C LEU A 36 27.945 -3.358 -19.379 1.00 32.41 C ATOM 549 O LEU A 36 29.047 -2.822 -19.275 1.00 11.24 O ATOM 550 CB LEU A 36 26.331 -2.680 -17.592 1.00 24.34 C ATOM 551 CG LEU A 36 25.016 -2.034 -17.155 1.00 42.01 C ATOM 552 CD1 LEU A 36 24.633 -2.496 -15.758 1.00 15.42 C ATOM 553 CD2 LEU A 36 25.124 -0.517 -17.207 1.00 5.04 C ATOM 0 H LEU A 36 24.719 -3.318 -19.345 1.00 42.22 H new ATOM 0 HA LEU A 36 26.829 -1.538 -19.343 1.00 53.41 H new ATOM 0 HB2 LEU A 36 26.305 -3.734 -17.314 1.00 24.34 H new ATOM 0 HB3 LEU A 36 27.143 -2.222 -17.027 1.00 24.34 H new ATOM 0 HG LEU A 36 24.233 -2.346 -17.846 1.00 42.01 H new ATOM 0 HD11 LEU A 36 23.695 -2.026 -15.464 1.00 15.42 H new ATOM 0 HD12 LEU A 36 24.513 -3.579 -15.753 1.00 15.42 H new ATOM 0 HD13 LEU A 36 25.416 -2.214 -15.054 1.00 15.42 H new ATOM 0 HD21 LEU A 36 24.179 -0.074 -16.893 1.00 5.04 H new ATOM 0 HD22 LEU A 36 25.920 -0.186 -16.540 1.00 5.04 H new ATOM 0 HD23 LEU A 36 25.351 -0.203 -18.226 1.00 5.04 H new ATOM 565 N GLY A 37 27.789 -4.625 -19.752 1.00 64.13 N ATOM 566 CA GLY A 37 28.940 -5.454 -20.062 1.00 10.33 C ATOM 567 C GLY A 37 29.674 -5.914 -18.818 1.00 71.40 C ATOM 568 O GLY A 37 30.899 -6.027 -18.818 1.00 43.13 O ATOM 0 H GLY A 37 26.887 -5.092 -19.845 1.00 64.13 H new ATOM 0 HA2 GLY A 37 28.614 -6.325 -20.631 1.00 10.33 H new ATOM 0 HA3 GLY A 37 29.626 -4.895 -20.699 1.00 10.33 H new ATOM 572 N ALA A 38 28.923 -6.180 -17.754 1.00 61.11 N ATOM 573 CA ALA A 38 29.510 -6.631 -16.498 1.00 71.24 C ATOM 574 C ALA A 38 29.671 -8.147 -16.481 1.00 61.52 C ATOM 575 O ALA A 38 29.425 -8.819 -17.483 1.00 52.24 O ATOM 576 CB ALA A 38 28.657 -6.176 -15.324 1.00 1.24 C ATOM 0 H ALA A 38 27.907 -6.091 -17.737 1.00 61.11 H new ATOM 0 HA ALA A 38 30.501 -6.185 -16.407 1.00 71.24 H new ATOM 0 HB1 ALA A 38 29.107 -6.520 -14.393 1.00 1.24 H new ATOM 0 HB2 ALA A 38 28.597 -5.088 -15.318 1.00 1.24 H new ATOM 0 HB3 ALA A 38 27.655 -6.594 -15.419 1.00 1.24 H new ATOM 582 N ASP A 39 30.086 -8.681 -15.338 1.00 4.45 N ATOM 583 CA ASP A 39 30.280 -10.118 -15.190 1.00 62.40 C ATOM 584 C ASP A 39 29.146 -10.739 -14.381 1.00 32.40 C ATOM 585 O ASP A 39 28.311 -10.031 -13.819 1.00 13.11 O ATOM 586 CB ASP A 39 31.622 -10.407 -14.515 1.00 60.11 C ATOM 587 CG ASP A 39 32.799 -9.901 -15.326 1.00 13.41 C ATOM 588 OD1 ASP A 39 33.214 -10.604 -16.270 1.00 44.43 O ATOM 589 OD2 ASP A 39 33.304 -8.802 -15.015 1.00 44.54 O ATOM 0 H ASP A 39 30.295 -8.139 -14.499 1.00 4.45 H new ATOM 0 HA ASP A 39 30.279 -10.564 -16.185 1.00 62.40 H new ATOM 0 HB2 ASP A 39 31.637 -9.942 -13.529 1.00 60.11 H new ATOM 0 HB3 ASP A 39 31.725 -11.481 -14.362 1.00 60.11 H new ATOM 594 N SER A 40 29.122 -12.067 -14.328 1.00 32.35 N ATOM 595 CA SER A 40 28.087 -12.784 -13.592 1.00 21.25 C ATOM 596 C SER A 40 28.021 -12.307 -12.144 1.00 33.11 C ATOM 597 O SER A 40 26.949 -12.271 -11.538 1.00 53.12 O ATOM 598 CB SER A 40 28.353 -14.290 -13.632 1.00 60.34 C ATOM 599 OG SER A 40 27.432 -14.993 -12.817 1.00 33.13 O ATOM 0 H SER A 40 29.807 -12.668 -14.786 1.00 32.35 H new ATOM 0 HA SER A 40 27.129 -12.578 -14.069 1.00 21.25 H new ATOM 0 HB2 SER A 40 28.281 -14.648 -14.659 1.00 60.34 H new ATOM 0 HB3 SER A 40 29.370 -14.492 -13.295 1.00 60.34 H new ATOM 0 HG SER A 40 27.623 -15.953 -12.861 1.00 33.13 H new ATOM 605 N LEU A 41 29.174 -11.942 -11.595 1.00 12.13 N ATOM 606 CA LEU A 41 29.249 -11.466 -10.218 1.00 33.44 C ATOM 607 C LEU A 41 28.364 -10.240 -10.016 1.00 20.31 C ATOM 608 O LEU A 41 27.709 -10.098 -8.983 1.00 71.33 O ATOM 609 CB LEU A 41 30.696 -11.131 -9.851 1.00 35.30 C ATOM 610 CG LEU A 41 31.061 -11.262 -8.372 1.00 33.21 C ATOM 611 CD1 LEU A 41 30.237 -10.299 -7.531 1.00 40.15 C ATOM 612 CD2 LEU A 41 30.859 -12.694 -7.897 1.00 54.13 C ATOM 0 H LEU A 41 30.070 -11.966 -12.082 1.00 12.13 H new ATOM 0 HA LEU A 41 28.890 -12.262 -9.565 1.00 33.44 H new ATOM 0 HB2 LEU A 41 31.355 -11.781 -10.426 1.00 35.30 H new ATOM 0 HB3 LEU A 41 30.902 -10.108 -10.166 1.00 35.30 H new ATOM 0 HG LEU A 41 32.114 -11.006 -8.254 1.00 33.21 H new ATOM 0 HD11 LEU A 41 30.511 -10.407 -6.481 1.00 40.15 H new ATOM 0 HD12 LEU A 41 30.432 -9.276 -7.854 1.00 40.15 H new ATOM 0 HD13 LEU A 41 29.177 -10.523 -7.654 1.00 40.15 H new ATOM 0 HD21 LEU A 41 31.124 -12.768 -6.842 1.00 54.13 H new ATOM 0 HD22 LEU A 41 29.815 -12.978 -8.030 1.00 54.13 H new ATOM 0 HD23 LEU A 41 31.493 -13.363 -8.478 1.00 54.13 H new ATOM 624 N ASP A 42 28.349 -9.359 -11.009 1.00 54.34 N ATOM 625 CA ASP A 42 27.542 -8.146 -10.943 1.00 15.10 C ATOM 626 C ASP A 42 26.059 -8.485 -10.822 1.00 62.54 C ATOM 627 O ASP A 42 25.389 -8.064 -9.879 1.00 53.03 O ATOM 628 CB ASP A 42 27.780 -7.280 -12.181 1.00 62.42 C ATOM 629 CG ASP A 42 26.696 -6.240 -12.378 1.00 15.41 C ATOM 630 OD1 ASP A 42 26.161 -5.740 -11.365 1.00 45.03 O ATOM 631 OD2 ASP A 42 26.381 -5.924 -13.544 1.00 43.03 O ATOM 0 H ASP A 42 28.886 -9.462 -11.870 1.00 54.34 H new ATOM 0 HA ASP A 42 27.843 -7.588 -10.056 1.00 15.10 H new ATOM 0 HB2 ASP A 42 28.745 -6.782 -12.092 1.00 62.42 H new ATOM 0 HB3 ASP A 42 27.831 -7.919 -13.063 1.00 62.42 H new ATOM 636 N THR A 43 25.552 -9.250 -11.785 1.00 1.22 N ATOM 637 CA THR A 43 24.149 -9.644 -11.788 1.00 61.22 C ATOM 638 C THR A 43 23.741 -10.236 -10.444 1.00 62.30 C ATOM 639 O THR A 43 22.758 -9.809 -9.839 1.00 2.15 O ATOM 640 CB THR A 43 23.857 -10.671 -12.899 1.00 31.15 C ATOM 641 OG1 THR A 43 24.683 -11.828 -12.726 1.00 11.12 O ATOM 642 CG2 THR A 43 24.103 -10.067 -14.273 1.00 13.22 C ATOM 0 H THR A 43 26.093 -9.608 -12.572 1.00 1.22 H new ATOM 0 HA THR A 43 23.567 -8.741 -11.975 1.00 61.22 H new ATOM 0 HB THR A 43 22.808 -10.960 -12.829 1.00 31.15 H new ATOM 0 HG1 THR A 43 25.574 -11.552 -12.425 1.00 11.12 H new ATOM 0 HG21 THR A 43 23.890 -10.811 -15.041 1.00 13.22 H new ATOM 0 HG22 THR A 43 23.452 -9.204 -14.413 1.00 13.22 H new ATOM 0 HG23 THR A 43 25.144 -9.752 -14.351 1.00 13.22 H new ATOM 650 N VAL A 44 24.503 -11.223 -9.981 1.00 51.44 N ATOM 651 CA VAL A 44 24.222 -11.873 -8.707 1.00 15.41 C ATOM 652 C VAL A 44 24.189 -10.859 -7.569 1.00 15.04 C ATOM 653 O VAL A 44 23.368 -10.961 -6.658 1.00 33.23 O ATOM 654 CB VAL A 44 25.269 -12.955 -8.386 1.00 20.14 C ATOM 655 CG1 VAL A 44 24.967 -13.610 -7.046 1.00 41.51 C ATOM 656 CG2 VAL A 44 25.320 -13.993 -9.496 1.00 74.32 C ATOM 0 H VAL A 44 25.320 -11.589 -10.470 1.00 51.44 H new ATOM 0 HA VAL A 44 23.243 -12.343 -8.800 1.00 15.41 H new ATOM 0 HB VAL A 44 26.248 -12.480 -8.319 1.00 20.14 H new ATOM 0 HG11 VAL A 44 25.718 -14.372 -6.836 1.00 41.51 H new ATOM 0 HG12 VAL A 44 24.986 -12.855 -6.260 1.00 41.51 H new ATOM 0 HG13 VAL A 44 23.981 -14.072 -7.081 1.00 41.51 H new ATOM 0 HG21 VAL A 44 26.065 -14.750 -9.252 1.00 74.32 H new ATOM 0 HG22 VAL A 44 24.343 -14.465 -9.598 1.00 74.32 H new ATOM 0 HG23 VAL A 44 25.588 -13.509 -10.435 1.00 74.32 H new ATOM 666 N GLU A 45 25.087 -9.881 -7.628 1.00 54.44 N ATOM 667 CA GLU A 45 25.160 -8.848 -6.601 1.00 71.13 C ATOM 668 C GLU A 45 23.853 -8.064 -6.524 1.00 31.34 C ATOM 669 O GLU A 45 23.333 -7.808 -5.437 1.00 1.13 O ATOM 670 CB GLU A 45 26.323 -7.895 -6.887 1.00 34.23 C ATOM 671 CG GLU A 45 27.082 -7.471 -5.641 1.00 32.12 C ATOM 672 CD GLU A 45 28.490 -7.000 -5.948 1.00 0.12 C ATOM 673 OE1 GLU A 45 28.786 -6.750 -7.135 1.00 74.13 O ATOM 674 OE2 GLU A 45 29.296 -6.881 -5.002 1.00 21.13 O ATOM 0 H GLU A 45 25.774 -9.782 -8.376 1.00 54.44 H new ATOM 0 HA GLU A 45 25.327 -9.337 -5.641 1.00 71.13 H new ATOM 0 HB2 GLU A 45 27.015 -8.377 -7.578 1.00 34.23 H new ATOM 0 HB3 GLU A 45 25.939 -7.007 -7.388 1.00 34.23 H new ATOM 0 HG2 GLU A 45 26.536 -6.670 -5.142 1.00 32.12 H new ATOM 0 HG3 GLU A 45 27.127 -8.308 -4.945 1.00 32.12 H new ATOM 681 N LEU A 46 23.327 -7.686 -7.683 1.00 42.14 N ATOM 682 CA LEU A 46 22.081 -6.931 -7.748 1.00 51.54 C ATOM 683 C LEU A 46 20.905 -7.778 -7.272 1.00 3.40 C ATOM 684 O LEU A 46 20.113 -7.344 -6.435 1.00 71.23 O ATOM 685 CB LEU A 46 21.829 -6.446 -9.177 1.00 61.03 C ATOM 686 CG LEU A 46 22.990 -5.715 -9.853 1.00 21.14 C ATOM 687 CD1 LEU A 46 22.564 -5.174 -11.209 1.00 31.15 C ATOM 688 CD2 LEU A 46 23.501 -4.590 -8.964 1.00 61.32 C ATOM 0 H LEU A 46 23.744 -7.890 -8.591 1.00 42.14 H new ATOM 0 HA LEU A 46 22.174 -6.068 -7.089 1.00 51.54 H new ATOM 0 HB2 LEU A 46 21.562 -7.307 -9.790 1.00 61.03 H new ATOM 0 HB3 LEU A 46 20.965 -5.782 -9.167 1.00 61.03 H new ATOM 0 HG LEU A 46 23.801 -6.426 -10.008 1.00 21.14 H new ATOM 0 HD11 LEU A 46 23.403 -4.657 -11.675 1.00 31.15 H new ATOM 0 HD12 LEU A 46 22.247 -5.999 -11.847 1.00 31.15 H new ATOM 0 HD13 LEU A 46 21.736 -4.477 -11.079 1.00 31.15 H new ATOM 0 HD21 LEU A 46 24.327 -4.081 -9.460 1.00 61.32 H new ATOM 0 HD22 LEU A 46 22.696 -3.879 -8.777 1.00 61.32 H new ATOM 0 HD23 LEU A 46 23.847 -5.003 -8.017 1.00 61.32 H new ATOM 700 N VAL A 47 20.799 -8.989 -7.809 1.00 23.02 N ATOM 701 CA VAL A 47 19.723 -9.899 -7.436 1.00 54.12 C ATOM 702 C VAL A 47 19.625 -10.043 -5.922 1.00 33.42 C ATOM 703 O VAL A 47 18.531 -10.043 -5.358 1.00 10.44 O ATOM 704 CB VAL A 47 19.923 -11.292 -8.062 1.00 2.10 C ATOM 705 CG1 VAL A 47 18.801 -12.231 -7.647 1.00 55.51 C ATOM 706 CG2 VAL A 47 20.009 -11.187 -9.577 1.00 64.52 C ATOM 0 H VAL A 47 21.445 -9.363 -8.504 1.00 23.02 H new ATOM 0 HA VAL A 47 18.798 -9.468 -7.817 1.00 54.12 H new ATOM 0 HB VAL A 47 20.863 -11.705 -7.695 1.00 2.10 H new ATOM 0 HG11 VAL A 47 18.960 -13.210 -8.099 1.00 55.51 H new ATOM 0 HG12 VAL A 47 18.792 -12.330 -6.562 1.00 55.51 H new ATOM 0 HG13 VAL A 47 17.846 -11.827 -7.982 1.00 55.51 H new ATOM 0 HG21 VAL A 47 20.150 -12.180 -10.003 1.00 64.52 H new ATOM 0 HG22 VAL A 47 19.087 -10.754 -9.965 1.00 64.52 H new ATOM 0 HG23 VAL A 47 20.851 -10.552 -9.850 1.00 64.52 H new ATOM 716 N MET A 48 20.776 -10.167 -5.269 1.00 13.21 N ATOM 717 CA MET A 48 20.819 -10.311 -3.818 1.00 45.54 C ATOM 718 C MET A 48 20.420 -9.009 -3.131 1.00 4.42 C ATOM 719 O MET A 48 19.685 -9.017 -2.145 1.00 35.14 O ATOM 720 CB MET A 48 22.220 -10.730 -3.368 1.00 61.21 C ATOM 721 CG MET A 48 22.680 -12.051 -3.964 1.00 52.22 C ATOM 722 SD MET A 48 24.475 -12.215 -3.987 1.00 22.13 S ATOM 723 CE MET A 48 24.697 -13.652 -2.941 1.00 11.04 C ATOM 0 H MET A 48 21.690 -10.171 -5.721 1.00 13.21 H new ATOM 0 HA MET A 48 20.106 -11.085 -3.533 1.00 45.54 H new ATOM 0 HB2 MET A 48 22.930 -9.950 -3.643 1.00 61.21 H new ATOM 0 HB3 MET A 48 22.236 -10.806 -2.281 1.00 61.21 H new ATOM 0 HG2 MET A 48 22.251 -12.873 -3.390 1.00 52.22 H new ATOM 0 HG3 MET A 48 22.298 -12.139 -4.981 1.00 52.22 H new ATOM 0 HE1 MET A 48 25.759 -13.880 -2.857 1.00 11.04 H new ATOM 0 HE2 MET A 48 24.291 -13.447 -1.950 1.00 11.04 H new ATOM 0 HE3 MET A 48 24.176 -14.504 -3.378 1.00 11.04 H new ATOM 733 N ALA A 49 20.911 -7.892 -3.658 1.00 1.30 N ATOM 734 CA ALA A 49 20.604 -6.582 -3.096 1.00 30.54 C ATOM 735 C ALA A 49 19.105 -6.305 -3.138 1.00 1.14 C ATOM 736 O ALA A 49 18.583 -5.537 -2.328 1.00 75.33 O ATOM 737 CB ALA A 49 21.365 -5.496 -3.841 1.00 71.12 C ATOM 0 H ALA A 49 21.523 -7.868 -4.474 1.00 1.30 H new ATOM 0 HA ALA A 49 20.919 -6.579 -2.052 1.00 30.54 H new ATOM 0 HB1 ALA A 49 21.126 -4.524 -3.411 1.00 71.12 H new ATOM 0 HB2 ALA A 49 22.436 -5.678 -3.754 1.00 71.12 H new ATOM 0 HB3 ALA A 49 21.079 -5.507 -4.893 1.00 71.12 H new ATOM 743 N LEU A 50 18.418 -6.933 -4.085 1.00 43.15 N ATOM 744 CA LEU A 50 16.978 -6.753 -4.233 1.00 62.05 C ATOM 745 C LEU A 50 16.215 -7.657 -3.271 1.00 13.12 C ATOM 746 O LEU A 50 15.342 -7.198 -2.535 1.00 31.23 O ATOM 747 CB LEU A 50 16.553 -7.047 -5.673 1.00 71.21 C ATOM 748 CG LEU A 50 16.965 -6.011 -6.720 1.00 20.43 C ATOM 749 CD1 LEU A 50 16.670 -6.522 -8.121 1.00 61.44 C ATOM 750 CD2 LEU A 50 16.253 -4.690 -6.471 1.00 41.41 C ATOM 0 H LEU A 50 18.835 -7.572 -4.762 1.00 43.15 H new ATOM 0 HA LEU A 50 16.740 -5.716 -3.995 1.00 62.05 H new ATOM 0 HB2 LEU A 50 16.968 -8.012 -5.963 1.00 71.21 H new ATOM 0 HB3 LEU A 50 15.468 -7.147 -5.697 1.00 71.21 H new ATOM 0 HG LEU A 50 18.039 -5.844 -6.635 1.00 20.43 H new ATOM 0 HD11 LEU A 50 16.970 -5.772 -8.853 1.00 61.44 H new ATOM 0 HD12 LEU A 50 17.226 -7.443 -8.297 1.00 61.44 H new ATOM 0 HD13 LEU A 50 15.602 -6.718 -8.219 1.00 61.44 H new ATOM 0 HD21 LEU A 50 16.558 -3.965 -7.225 1.00 41.41 H new ATOM 0 HD22 LEU A 50 15.175 -4.841 -6.528 1.00 41.41 H new ATOM 0 HD23 LEU A 50 16.515 -4.316 -5.481 1.00 41.41 H new ATOM 762 N GLU A 51 16.552 -8.943 -3.281 1.00 53.22 N ATOM 763 CA GLU A 51 15.898 -9.910 -2.408 1.00 22.25 C ATOM 764 C GLU A 51 16.264 -9.659 -0.948 1.00 11.25 C ATOM 765 O GLU A 51 15.651 -10.217 -0.039 1.00 35.42 O ATOM 766 CB GLU A 51 16.289 -11.335 -2.805 1.00 23.24 C ATOM 767 CG GLU A 51 17.757 -11.651 -2.571 1.00 21.03 C ATOM 768 CD GLU A 51 18.267 -12.757 -3.474 1.00 70.11 C ATOM 769 OE1 GLU A 51 17.737 -12.900 -4.595 1.00 54.04 O ATOM 770 OE2 GLU A 51 19.197 -13.480 -3.059 1.00 2.31 O ATOM 0 H GLU A 51 17.274 -9.339 -3.884 1.00 53.22 H new ATOM 0 HA GLU A 51 14.820 -9.792 -2.520 1.00 22.25 H new ATOM 0 HB2 GLU A 51 15.680 -12.041 -2.240 1.00 23.24 H new ATOM 0 HB3 GLU A 51 16.057 -11.486 -3.859 1.00 23.24 H new ATOM 0 HG2 GLU A 51 18.349 -10.751 -2.735 1.00 21.03 H new ATOM 0 HG3 GLU A 51 17.901 -11.941 -1.530 1.00 21.03 H new ATOM 777 N GLU A 52 17.268 -8.815 -0.732 1.00 0.40 N ATOM 778 CA GLU A 52 17.716 -8.490 0.617 1.00 24.52 C ATOM 779 C GLU A 52 17.153 -7.146 1.069 1.00 25.03 C ATOM 780 O GLU A 52 16.606 -7.028 2.165 1.00 73.32 O ATOM 781 CB GLU A 52 19.245 -8.462 0.677 1.00 20.05 C ATOM 782 CG GLU A 52 19.793 -7.982 2.011 1.00 53.10 C ATOM 783 CD GLU A 52 19.914 -6.472 2.082 1.00 32.04 C ATOM 784 OE1 GLU A 52 20.776 -5.911 1.375 1.00 62.34 O ATOM 785 OE2 GLU A 52 19.145 -5.851 2.847 1.00 62.35 O ATOM 0 H GLU A 52 17.786 -8.344 -1.474 1.00 0.40 H new ATOM 0 HA GLU A 52 17.347 -9.263 1.291 1.00 24.52 H new ATOM 0 HB2 GLU A 52 19.627 -9.463 0.476 1.00 20.05 H new ATOM 0 HB3 GLU A 52 19.620 -7.813 -0.115 1.00 20.05 H new ATOM 0 HG2 GLU A 52 19.142 -8.329 2.813 1.00 53.10 H new ATOM 0 HG3 GLU A 52 20.772 -8.430 2.180 1.00 53.10 H new ATOM 792 N GLU A 53 17.294 -6.136 0.217 1.00 51.50 N ATOM 793 CA GLU A 53 16.801 -4.799 0.530 1.00 72.34 C ATOM 794 C GLU A 53 15.286 -4.724 0.357 1.00 24.24 C ATOM 795 O GLU A 53 14.568 -4.292 1.260 1.00 65.25 O ATOM 796 CB GLU A 53 17.479 -3.759 -0.365 1.00 30.25 C ATOM 797 CG GLU A 53 17.224 -2.325 0.069 1.00 64.32 C ATOM 798 CD GLU A 53 17.848 -2.003 1.413 1.00 51.41 C ATOM 799 OE1 GLU A 53 19.089 -2.075 1.524 1.00 24.24 O ATOM 800 OE2 GLU A 53 17.093 -1.677 2.353 1.00 23.04 O ATOM 0 H GLU A 53 17.745 -6.217 -0.694 1.00 51.50 H new ATOM 0 HA GLU A 53 17.042 -4.585 1.571 1.00 72.34 H new ATOM 0 HB2 GLU A 53 18.553 -3.942 -0.371 1.00 30.25 H new ATOM 0 HB3 GLU A 53 17.127 -3.888 -1.389 1.00 30.25 H new ATOM 0 HG2 GLU A 53 17.622 -1.645 -0.684 1.00 64.32 H new ATOM 0 HG3 GLU A 53 16.149 -2.150 0.120 1.00 64.32 H new ATOM 807 N PHE A 54 14.808 -5.147 -0.808 1.00 34.21 N ATOM 808 CA PHE A 54 13.379 -5.127 -1.100 1.00 41.22 C ATOM 809 C PHE A 54 12.700 -6.392 -0.584 1.00 63.11 C ATOM 810 O PHE A 54 11.489 -6.560 -0.723 1.00 74.32 O ATOM 811 CB PHE A 54 13.147 -4.988 -2.606 1.00 41.02 C ATOM 812 CG PHE A 54 13.229 -3.571 -3.097 1.00 44.13 C ATOM 813 CD1 PHE A 54 12.171 -2.696 -2.910 1.00 24.25 C ATOM 814 CD2 PHE A 54 14.365 -3.113 -3.746 1.00 71.52 C ATOM 815 CE1 PHE A 54 12.244 -1.392 -3.361 1.00 64.12 C ATOM 816 CE2 PHE A 54 14.444 -1.810 -4.200 1.00 32.12 C ATOM 817 CZ PHE A 54 13.382 -0.948 -4.006 1.00 23.10 C ATOM 0 H PHE A 54 15.388 -5.508 -1.565 1.00 34.21 H new ATOM 0 HA PHE A 54 12.942 -4.268 -0.591 1.00 41.22 H new ATOM 0 HB2 PHE A 54 13.884 -5.591 -3.136 1.00 41.02 H new ATOM 0 HB3 PHE A 54 12.166 -5.394 -2.853 1.00 41.02 H new ATOM 0 HD1 PHE A 54 11.279 -3.037 -2.406 1.00 24.25 H new ATOM 0 HD2 PHE A 54 15.199 -3.783 -3.899 1.00 71.52 H new ATOM 0 HE1 PHE A 54 11.412 -0.720 -3.209 1.00 64.12 H new ATOM 0 HE2 PHE A 54 15.334 -1.466 -4.706 1.00 32.12 H new ATOM 0 HZ PHE A 54 13.441 0.071 -4.358 1.00 23.10 H new ATOM 827 N ASP A 55 13.490 -7.279 0.011 1.00 30.02 N ATOM 828 CA ASP A 55 12.967 -8.529 0.549 1.00 75.41 C ATOM 829 C ASP A 55 12.104 -9.246 -0.485 1.00 35.43 C ATOM 830 O ASP A 55 11.083 -9.848 -0.148 1.00 51.03 O ATOM 831 CB ASP A 55 12.152 -8.263 1.816 1.00 73.24 C ATOM 832 CG ASP A 55 12.077 -9.476 2.722 1.00 64.21 C ATOM 833 OD1 ASP A 55 12.908 -10.394 2.555 1.00 60.04 O ATOM 834 OD2 ASP A 55 11.189 -9.507 3.599 1.00 64.50 O ATOM 0 H ASP A 55 14.495 -7.155 0.133 1.00 30.02 H new ATOM 0 HA ASP A 55 13.812 -9.170 0.799 1.00 75.41 H new ATOM 0 HB2 ASP A 55 12.597 -7.432 2.363 1.00 73.24 H new ATOM 0 HB3 ASP A 55 11.143 -7.958 1.538 1.00 73.24 H new ATOM 839 N THR A 56 12.519 -9.178 -1.746 1.00 2.44 N ATOM 840 CA THR A 56 11.784 -9.818 -2.829 1.00 13.32 C ATOM 841 C THR A 56 12.241 -11.258 -3.028 1.00 31.22 C ATOM 842 O THR A 56 13.436 -11.529 -3.144 1.00 54.20 O ATOM 843 CB THR A 56 11.953 -9.050 -4.153 1.00 51.24 C ATOM 844 OG1 THR A 56 13.344 -8.901 -4.459 1.00 71.12 O ATOM 845 CG2 THR A 56 11.297 -7.680 -4.072 1.00 41.40 C ATOM 0 H THR A 56 13.362 -8.685 -2.042 1.00 2.44 H new ATOM 0 HA THR A 56 10.732 -9.810 -2.545 1.00 13.32 H new ATOM 0 HB THR A 56 11.467 -9.622 -4.943 1.00 51.24 H new ATOM 0 HG1 THR A 56 13.443 -8.413 -5.303 1.00 71.12 H new ATOM 0 HG21 THR A 56 11.430 -7.157 -5.019 1.00 41.40 H new ATOM 0 HG22 THR A 56 10.233 -7.798 -3.868 1.00 41.40 H new ATOM 0 HG23 THR A 56 11.758 -7.103 -3.271 1.00 41.40 H new ATOM 853 N GLU A 57 11.282 -12.179 -3.067 1.00 4.42 N ATOM 854 CA GLU A 57 11.589 -13.592 -3.252 1.00 33.11 C ATOM 855 C GLU A 57 12.086 -13.860 -4.669 1.00 45.13 C ATOM 856 O GLU A 57 11.314 -14.248 -5.547 1.00 3.24 O ATOM 857 CB GLU A 57 10.352 -14.447 -2.964 1.00 5.41 C ATOM 858 CG GLU A 57 10.129 -14.714 -1.485 1.00 73.40 C ATOM 859 CD GLU A 57 11.106 -15.727 -0.921 1.00 61.42 C ATOM 860 OE1 GLU A 57 12.032 -16.130 -1.656 1.00 62.02 O ATOM 861 OE2 GLU A 57 10.945 -16.118 0.254 1.00 40.31 O ATOM 0 H GLU A 57 10.288 -11.972 -2.973 1.00 4.42 H new ATOM 0 HA GLU A 57 12.380 -13.860 -2.551 1.00 33.11 H new ATOM 0 HB2 GLU A 57 9.473 -13.948 -3.371 1.00 5.41 H new ATOM 0 HB3 GLU A 57 10.449 -15.399 -3.486 1.00 5.41 H new ATOM 0 HG2 GLU A 57 10.222 -13.779 -0.933 1.00 73.40 H new ATOM 0 HG3 GLU A 57 9.111 -15.074 -1.334 1.00 73.40 H new ATOM 868 N ILE A 58 13.381 -13.649 -4.885 1.00 74.51 N ATOM 869 CA ILE A 58 13.982 -13.868 -6.195 1.00 34.31 C ATOM 870 C ILE A 58 14.924 -15.067 -6.174 1.00 3.32 C ATOM 871 O ILE A 58 16.146 -14.926 -6.114 1.00 30.11 O ATOM 872 CB ILE A 58 14.758 -12.627 -6.673 1.00 1.05 C ATOM 873 CG1 ILE A 58 13.826 -11.416 -6.756 1.00 20.40 C ATOM 874 CG2 ILE A 58 15.408 -12.896 -8.021 1.00 43.34 C ATOM 875 CD1 ILE A 58 12.683 -11.600 -7.729 1.00 74.11 C ATOM 0 H ILE A 58 14.033 -13.327 -4.170 1.00 74.51 H new ATOM 0 HA ILE A 58 13.164 -14.064 -6.889 1.00 34.31 H new ATOM 0 HB ILE A 58 15.544 -12.407 -5.950 1.00 1.05 H new ATOM 0 HG12 ILE A 58 13.420 -11.211 -5.765 1.00 20.40 H new ATOM 0 HG13 ILE A 58 14.406 -10.541 -7.050 1.00 20.40 H new ATOM 0 HG21 ILE A 58 15.953 -12.009 -8.346 1.00 43.34 H new ATOM 0 HG22 ILE A 58 16.099 -13.734 -7.931 1.00 43.34 H new ATOM 0 HG23 ILE A 58 14.639 -13.138 -8.754 1.00 43.34 H new ATOM 0 HD11 ILE A 58 12.063 -10.703 -7.736 1.00 74.11 H new ATOM 0 HD12 ILE A 58 13.081 -11.774 -8.729 1.00 74.11 H new ATOM 0 HD13 ILE A 58 12.080 -12.455 -7.424 1.00 74.11 H new ATOM 887 N PRO A 59 14.346 -16.276 -6.226 1.00 13.31 N ATOM 888 CA PRO A 59 15.116 -17.523 -6.217 1.00 12.04 C ATOM 889 C PRO A 59 15.896 -17.732 -7.510 1.00 31.31 C ATOM 890 O PRO A 59 15.975 -16.836 -8.350 1.00 42.11 O ATOM 891 CB PRO A 59 14.041 -18.602 -6.059 1.00 45.05 C ATOM 892 CG PRO A 59 12.802 -17.986 -6.611 1.00 44.03 C ATOM 893 CD PRO A 59 12.895 -16.518 -6.299 1.00 20.14 C ATOM 0 HA PRO A 59 15.868 -17.533 -5.428 1.00 12.04 H new ATOM 0 HB2 PRO A 59 14.308 -19.509 -6.602 1.00 45.05 H new ATOM 0 HB3 PRO A 59 13.912 -18.882 -5.014 1.00 45.05 H new ATOM 0 HG2 PRO A 59 12.729 -18.153 -7.686 1.00 44.03 H new ATOM 0 HG3 PRO A 59 11.913 -18.425 -6.159 1.00 44.03 H new ATOM 0 HD2 PRO A 59 12.425 -15.912 -7.074 1.00 20.14 H new ATOM 0 HD3 PRO A 59 12.399 -16.275 -5.359 1.00 20.14 H new ATOM 901 N ASP A 60 16.470 -18.920 -7.663 1.00 73.54 N ATOM 902 CA ASP A 60 17.243 -19.248 -8.856 1.00 13.01 C ATOM 903 C ASP A 60 16.411 -19.038 -10.117 1.00 51.13 C ATOM 904 O ASP A 60 16.898 -18.498 -11.110 1.00 20.11 O ATOM 905 CB ASP A 60 17.735 -20.695 -8.789 1.00 54.34 C ATOM 906 CG ASP A 60 19.046 -20.827 -8.040 1.00 13.42 C ATOM 907 OD1 ASP A 60 19.535 -19.804 -7.516 1.00 23.05 O ATOM 908 OD2 ASP A 60 19.582 -21.952 -7.977 1.00 32.55 O ATOM 0 H ASP A 60 16.415 -19.672 -6.976 1.00 73.54 H new ATOM 0 HA ASP A 60 18.104 -18.581 -8.896 1.00 13.01 H new ATOM 0 HB2 ASP A 60 16.978 -21.311 -8.302 1.00 54.34 H new ATOM 0 HB3 ASP A 60 17.858 -21.081 -9.801 1.00 54.34 H new ATOM 913 N GLU A 61 15.154 -19.469 -10.070 1.00 64.32 N ATOM 914 CA GLU A 61 14.256 -19.330 -11.211 1.00 3.45 C ATOM 915 C GLU A 61 14.111 -17.865 -11.612 1.00 54.31 C ATOM 916 O GLU A 61 14.461 -17.479 -12.727 1.00 4.35 O ATOM 917 CB GLU A 61 12.883 -19.919 -10.882 1.00 10.34 C ATOM 918 CG GLU A 61 12.087 -20.329 -12.109 1.00 13.30 C ATOM 919 CD GLU A 61 10.608 -20.020 -11.975 1.00 21.10 C ATOM 920 OE1 GLU A 61 10.097 -20.050 -10.836 1.00 4.35 O ATOM 921 OE2 GLU A 61 9.962 -19.750 -13.008 1.00 52.55 O ATOM 0 H GLU A 61 14.735 -19.917 -9.255 1.00 64.32 H new ATOM 0 HA GLU A 61 14.686 -19.878 -12.049 1.00 3.45 H new ATOM 0 HB2 GLU A 61 13.015 -20.788 -10.238 1.00 10.34 H new ATOM 0 HB3 GLU A 61 12.309 -19.186 -10.315 1.00 10.34 H new ATOM 0 HG2 GLU A 61 12.484 -19.814 -12.984 1.00 13.30 H new ATOM 0 HG3 GLU A 61 12.217 -21.397 -12.282 1.00 13.30 H new ATOM 928 N GLU A 62 13.590 -17.055 -10.695 1.00 51.24 N ATOM 929 CA GLU A 62 13.396 -15.633 -10.955 1.00 4.13 C ATOM 930 C GLU A 62 14.736 -14.928 -11.150 1.00 72.31 C ATOM 931 O GLU A 62 14.790 -13.799 -11.637 1.00 30.33 O ATOM 932 CB GLU A 62 12.628 -14.982 -9.803 1.00 4.34 C ATOM 933 CG GLU A 62 11.142 -15.299 -9.806 1.00 4.43 C ATOM 934 CD GLU A 62 10.861 -16.778 -9.629 1.00 61.21 C ATOM 935 OE1 GLU A 62 10.786 -17.493 -10.650 1.00 61.14 O ATOM 936 OE2 GLU A 62 10.716 -17.221 -8.471 1.00 12.03 O ATOM 0 H GLU A 62 13.295 -17.359 -9.767 1.00 51.24 H new ATOM 0 HA GLU A 62 12.815 -15.533 -11.872 1.00 4.13 H new ATOM 0 HB2 GLU A 62 13.059 -15.312 -8.858 1.00 4.34 H new ATOM 0 HB3 GLU A 62 12.760 -13.901 -9.854 1.00 4.34 H new ATOM 0 HG2 GLU A 62 10.654 -14.742 -9.006 1.00 4.43 H new ATOM 0 HG3 GLU A 62 10.704 -14.959 -10.744 1.00 4.43 H new ATOM 943 N ALA A 63 15.814 -15.603 -10.766 1.00 64.45 N ATOM 944 CA ALA A 63 17.154 -15.044 -10.900 1.00 54.24 C ATOM 945 C ALA A 63 17.672 -15.196 -12.326 1.00 50.34 C ATOM 946 O ALA A 63 18.427 -14.356 -12.814 1.00 42.42 O ATOM 947 CB ALA A 63 18.105 -15.710 -9.917 1.00 53.12 C ATOM 0 H ALA A 63 15.786 -16.538 -10.359 1.00 64.45 H new ATOM 0 HA ALA A 63 17.101 -13.979 -10.672 1.00 54.24 H new ATOM 0 HB1 ALA A 63 19.102 -15.283 -10.028 1.00 53.12 H new ATOM 0 HB2 ALA A 63 17.751 -15.545 -8.899 1.00 53.12 H new ATOM 0 HB3 ALA A 63 18.145 -16.781 -10.118 1.00 53.12 H new ATOM 953 N GLU A 64 17.262 -16.273 -12.989 1.00 13.22 N ATOM 954 CA GLU A 64 17.687 -16.534 -14.359 1.00 21.32 C ATOM 955 C GLU A 64 16.929 -15.647 -15.342 1.00 65.15 C ATOM 956 O GLU A 64 17.351 -15.467 -16.485 1.00 55.43 O ATOM 957 CB GLU A 64 17.470 -18.007 -14.712 1.00 34.24 C ATOM 958 CG GLU A 64 16.022 -18.353 -15.016 1.00 14.20 C ATOM 959 CD GLU A 64 15.806 -18.736 -16.467 1.00 52.43 C ATOM 960 OE1 GLU A 64 16.537 -19.619 -16.962 1.00 72.21 O ATOM 961 OE2 GLU A 64 14.907 -18.152 -17.108 1.00 71.01 O ATOM 0 H GLU A 64 16.636 -16.978 -12.600 1.00 13.22 H new ATOM 0 HA GLU A 64 18.750 -16.303 -14.433 1.00 21.32 H new ATOM 0 HB2 GLU A 64 18.084 -18.259 -15.577 1.00 34.24 H new ATOM 0 HB3 GLU A 64 17.816 -18.625 -13.884 1.00 34.24 H new ATOM 0 HG2 GLU A 64 15.707 -19.177 -14.376 1.00 14.20 H new ATOM 0 HG3 GLU A 64 15.389 -17.500 -14.771 1.00 14.20 H new ATOM 968 N LYS A 65 15.808 -15.096 -14.890 1.00 44.32 N ATOM 969 CA LYS A 65 14.991 -14.227 -15.728 1.00 15.40 C ATOM 970 C LYS A 65 15.273 -12.758 -15.427 1.00 61.13 C ATOM 971 O LYS A 65 15.251 -11.916 -16.325 1.00 51.22 O ATOM 972 CB LYS A 65 13.505 -14.526 -15.512 1.00 4.21 C ATOM 973 CG LYS A 65 12.956 -13.970 -14.209 1.00 63.41 C ATOM 974 CD LYS A 65 11.470 -14.254 -14.064 1.00 45.24 C ATOM 975 CE LYS A 65 10.630 -13.194 -14.761 1.00 25.12 C ATOM 976 NZ LYS A 65 9.246 -13.136 -14.215 1.00 23.25 N ATOM 0 H LYS A 65 15.444 -15.236 -13.947 1.00 44.32 H new ATOM 0 HA LYS A 65 15.248 -14.422 -16.769 1.00 15.40 H new ATOM 0 HB2 LYS A 65 12.935 -14.111 -16.343 1.00 4.21 H new ATOM 0 HB3 LYS A 65 13.354 -15.605 -15.529 1.00 4.21 H new ATOM 0 HG2 LYS A 65 13.495 -14.409 -13.369 1.00 63.41 H new ATOM 0 HG3 LYS A 65 13.127 -12.894 -14.170 1.00 63.41 H new ATOM 0 HD2 LYS A 65 11.243 -15.234 -14.484 1.00 45.24 H new ATOM 0 HD3 LYS A 65 11.207 -14.291 -13.007 1.00 45.24 H new ATOM 0 HE2 LYS A 65 11.106 -12.220 -14.647 1.00 25.12 H new ATOM 0 HE3 LYS A 65 10.590 -13.407 -15.829 1.00 25.12 H new ATOM 0 HZ1 LYS A 65 8.706 -12.402 -14.716 1.00 23.25 H new ATOM 0 HZ2 LYS A 65 8.782 -14.058 -14.346 1.00 23.25 H new ATOM 0 HZ3 LYS A 65 9.282 -12.908 -13.201 1.00 23.25 H new ATOM 990 N ILE A 66 15.540 -12.459 -14.160 1.00 54.04 N ATOM 991 CA ILE A 66 15.829 -11.093 -13.743 1.00 40.32 C ATOM 992 C ILE A 66 17.314 -10.777 -13.886 1.00 61.20 C ATOM 993 O ILE A 66 18.076 -10.869 -12.923 1.00 13.35 O ATOM 994 CB ILE A 66 15.402 -10.847 -12.284 1.00 55.02 C ATOM 995 CG1 ILE A 66 13.893 -11.052 -12.130 1.00 41.04 C ATOM 996 CG2 ILE A 66 15.799 -9.446 -11.845 1.00 14.43 C ATOM 997 CD1 ILE A 66 13.065 -10.050 -12.904 1.00 1.22 C ATOM 0 H ILE A 66 15.562 -13.144 -13.405 1.00 54.04 H new ATOM 0 HA ILE A 66 15.255 -10.436 -14.397 1.00 40.32 H new ATOM 0 HB ILE A 66 15.915 -11.566 -11.645 1.00 55.02 H new ATOM 0 HG12 ILE A 66 13.635 -12.058 -12.462 1.00 41.04 H new ATOM 0 HG13 ILE A 66 13.632 -10.988 -11.074 1.00 41.04 H new ATOM 0 HG21 ILE A 66 15.490 -9.287 -10.812 1.00 14.43 H new ATOM 0 HG22 ILE A 66 16.880 -9.333 -11.922 1.00 14.43 H new ATOM 0 HG23 ILE A 66 15.311 -8.712 -12.486 1.00 14.43 H new ATOM 0 HD11 ILE A 66 12.006 -10.256 -12.748 1.00 1.22 H new ATOM 0 HD12 ILE A 66 13.294 -9.043 -12.556 1.00 1.22 H new ATOM 0 HD13 ILE A 66 13.298 -10.129 -13.966 1.00 1.22 H new ATOM 1009 N THR A 67 17.721 -10.403 -15.095 1.00 74.24 N ATOM 1010 CA THR A 67 19.114 -10.073 -15.365 1.00 62.11 C ATOM 1011 C THR A 67 19.239 -8.696 -16.006 1.00 52.41 C ATOM 1012 O THR A 67 20.223 -8.402 -16.686 1.00 11.21 O ATOM 1013 CB THR A 67 19.771 -11.117 -16.288 1.00 35.43 C ATOM 1014 OG1 THR A 67 21.161 -10.820 -16.453 1.00 4.10 O ATOM 1015 CG2 THR A 67 19.087 -11.144 -17.647 1.00 25.23 C ATOM 0 H THR A 67 17.104 -10.321 -15.903 1.00 74.24 H new ATOM 0 HA THR A 67 19.629 -10.072 -14.405 1.00 62.11 H new ATOM 0 HB THR A 67 19.663 -12.098 -15.825 1.00 35.43 H new ATOM 0 HG1 THR A 67 21.278 -9.853 -16.559 1.00 4.10 H new ATOM 0 HG21 THR A 67 19.568 -11.888 -18.282 1.00 25.23 H new ATOM 0 HG22 THR A 67 18.035 -11.400 -17.520 1.00 25.23 H new ATOM 0 HG23 THR A 67 19.167 -10.163 -18.114 1.00 25.23 H new ATOM 1023 N THR A 68 18.235 -7.852 -15.785 1.00 61.14 N ATOM 1024 CA THR A 68 18.232 -6.505 -16.342 1.00 63.20 C ATOM 1025 C THR A 68 17.580 -5.516 -15.383 1.00 42.54 C ATOM 1026 O THR A 68 16.830 -5.905 -14.488 1.00 63.11 O ATOM 1027 CB THR A 68 17.493 -6.457 -17.693 1.00 23.13 C ATOM 1028 OG1 THR A 68 16.081 -6.567 -17.483 1.00 1.03 O ATOM 1029 CG2 THR A 68 17.964 -7.578 -18.607 1.00 51.13 C ATOM 0 H THR A 68 17.414 -8.078 -15.224 1.00 61.14 H new ATOM 0 HA THR A 68 19.274 -6.224 -16.497 1.00 63.20 H new ATOM 0 HB THR A 68 17.715 -5.503 -18.170 1.00 23.13 H new ATOM 0 HG1 THR A 68 15.618 -6.534 -18.346 1.00 1.03 H new ATOM 0 HG21 THR A 68 17.428 -7.524 -19.555 1.00 51.13 H new ATOM 0 HG22 THR A 68 19.034 -7.474 -18.788 1.00 51.13 H new ATOM 0 HG23 THR A 68 17.768 -8.540 -18.134 1.00 51.13 H new ATOM 1037 N VAL A 69 17.870 -4.233 -15.577 1.00 0.32 N ATOM 1038 CA VAL A 69 17.310 -3.186 -14.730 1.00 30.30 C ATOM 1039 C VAL A 69 15.787 -3.174 -14.806 1.00 44.11 C ATOM 1040 O VAL A 69 15.105 -3.363 -13.800 1.00 31.03 O ATOM 1041 CB VAL A 69 17.844 -1.797 -15.127 1.00 22.22 C ATOM 1042 CG1 VAL A 69 17.299 -0.728 -14.192 1.00 61.30 C ATOM 1043 CG2 VAL A 69 19.365 -1.792 -15.127 1.00 4.05 C ATOM 0 H VAL A 69 18.489 -3.894 -16.313 1.00 0.32 H new ATOM 0 HA VAL A 69 17.618 -3.407 -13.708 1.00 30.30 H new ATOM 0 HB VAL A 69 17.502 -1.570 -16.137 1.00 22.22 H new ATOM 0 HG11 VAL A 69 17.687 0.247 -14.488 1.00 61.30 H new ATOM 0 HG12 VAL A 69 16.210 -0.717 -14.247 1.00 61.30 H new ATOM 0 HG13 VAL A 69 17.608 -0.947 -13.170 1.00 61.30 H new ATOM 0 HG21 VAL A 69 19.726 -0.803 -15.410 1.00 4.05 H new ATOM 0 HG22 VAL A 69 19.730 -2.040 -14.130 1.00 4.05 H new ATOM 0 HG23 VAL A 69 19.731 -2.530 -15.841 1.00 4.05 H new ATOM 1053 N GLN A 70 15.262 -2.950 -16.006 1.00 62.44 N ATOM 1054 CA GLN A 70 13.819 -2.913 -16.214 1.00 24.25 C ATOM 1055 C GLN A 70 13.151 -4.146 -15.614 1.00 24.13 C ATOM 1056 O GLN A 70 12.055 -4.063 -15.061 1.00 71.03 O ATOM 1057 CB GLN A 70 13.499 -2.821 -17.706 1.00 44.35 C ATOM 1058 CG GLN A 70 12.022 -2.986 -18.023 1.00 51.14 C ATOM 1059 CD GLN A 70 11.130 -2.229 -17.059 1.00 50.34 C ATOM 1060 OE1 GLN A 70 10.127 -2.756 -16.579 1.00 35.41 O ATOM 1061 NE2 GLN A 70 11.492 -0.984 -16.771 1.00 31.11 N ATOM 0 H GLN A 70 15.814 -2.791 -16.849 1.00 62.44 H new ATOM 0 HA GLN A 70 13.428 -2.029 -15.711 1.00 24.25 H new ATOM 0 HB2 GLN A 70 13.837 -1.856 -18.083 1.00 44.35 H new ATOM 0 HB3 GLN A 70 14.064 -3.586 -18.238 1.00 44.35 H new ATOM 0 HG2 GLN A 70 11.831 -2.638 -19.038 1.00 51.14 H new ATOM 0 HG3 GLN A 70 11.764 -4.045 -17.995 1.00 51.14 H new ATOM 0 HE21 GLN A 70 12.332 -0.587 -17.192 1.00 31.11 H new ATOM 0 HE22 GLN A 70 10.930 -0.425 -16.129 1.00 31.11 H new ATOM 1070 N ALA A 71 13.820 -5.289 -15.727 1.00 32.21 N ATOM 1071 CA ALA A 71 13.292 -6.539 -15.194 1.00 54.13 C ATOM 1072 C ALA A 71 13.255 -6.514 -13.670 1.00 22.30 C ATOM 1073 O ALA A 71 12.234 -6.829 -13.059 1.00 44.10 O ATOM 1074 CB ALA A 71 14.123 -7.715 -15.685 1.00 73.03 C ATOM 0 H ALA A 71 14.728 -5.375 -16.183 1.00 32.21 H new ATOM 0 HA ALA A 71 12.270 -6.656 -15.554 1.00 54.13 H new ATOM 0 HB1 ALA A 71 13.717 -8.642 -15.279 1.00 73.03 H new ATOM 0 HB2 ALA A 71 14.093 -7.752 -16.774 1.00 73.03 H new ATOM 0 HB3 ALA A 71 15.155 -7.595 -15.354 1.00 73.03 H new ATOM 1080 N ALA A 72 14.376 -6.139 -13.062 1.00 32.11 N ATOM 1081 CA ALA A 72 14.471 -6.072 -11.609 1.00 30.30 C ATOM 1082 C ALA A 72 13.491 -5.052 -11.041 1.00 12.41 C ATOM 1083 O ALA A 72 12.699 -5.366 -10.151 1.00 42.35 O ATOM 1084 CB ALA A 72 15.893 -5.732 -11.188 1.00 61.23 C ATOM 0 H ALA A 72 15.231 -5.877 -13.553 1.00 32.11 H new ATOM 0 HA ALA A 72 14.209 -7.051 -11.207 1.00 30.30 H new ATOM 0 HB1 ALA A 72 15.949 -5.685 -10.100 1.00 61.23 H new ATOM 0 HB2 ALA A 72 16.574 -6.500 -11.554 1.00 61.23 H new ATOM 0 HB3 ALA A 72 16.176 -4.767 -11.608 1.00 61.23 H new ATOM 1090 N ILE A 73 13.550 -3.830 -11.559 1.00 54.34 N ATOM 1091 CA ILE A 73 12.666 -2.764 -11.103 1.00 44.43 C ATOM 1092 C ILE A 73 11.202 -3.147 -11.287 1.00 11.24 C ATOM 1093 O ILE A 73 10.352 -2.800 -10.466 1.00 74.35 O ATOM 1094 CB ILE A 73 12.939 -1.447 -11.855 1.00 13.14 C ATOM 1095 CG1 ILE A 73 12.167 -0.296 -11.207 1.00 12.34 C ATOM 1096 CG2 ILE A 73 12.560 -1.586 -13.322 1.00 23.25 C ATOM 1097 CD1 ILE A 73 12.988 0.502 -10.218 1.00 22.31 C ATOM 0 H ILE A 73 14.200 -3.553 -12.294 1.00 54.34 H new ATOM 0 HA ILE A 73 12.870 -2.617 -10.042 1.00 44.43 H new ATOM 0 HB ILE A 73 14.005 -1.225 -11.795 1.00 13.14 H new ATOM 0 HG12 ILE A 73 11.804 0.372 -11.988 1.00 12.34 H new ATOM 0 HG13 ILE A 73 11.291 -0.698 -10.698 1.00 12.34 H new ATOM 0 HG21 ILE A 73 12.759 -0.648 -13.840 1.00 23.25 H new ATOM 0 HG22 ILE A 73 13.149 -2.383 -13.776 1.00 23.25 H new ATOM 0 HG23 ILE A 73 11.500 -1.828 -13.403 1.00 23.25 H new ATOM 0 HD11 ILE A 73 12.377 1.301 -9.798 1.00 22.31 H new ATOM 0 HD12 ILE A 73 13.329 -0.153 -9.416 1.00 22.31 H new ATOM 0 HD13 ILE A 73 13.850 0.934 -10.726 1.00 22.31 H new ATOM 1109 N ASP A 74 10.915 -3.865 -12.367 1.00 31.25 N ATOM 1110 CA ASP A 74 9.553 -4.299 -12.657 1.00 1.04 C ATOM 1111 C ASP A 74 9.079 -5.323 -11.631 1.00 31.44 C ATOM 1112 O ASP A 74 7.913 -5.327 -11.236 1.00 33.43 O ATOM 1113 CB ASP A 74 9.473 -4.893 -14.064 1.00 22.34 C ATOM 1114 CG ASP A 74 8.072 -5.350 -14.421 1.00 3.53 C ATOM 1115 OD1 ASP A 74 7.140 -4.524 -14.334 1.00 52.34 O ATOM 1116 OD2 ASP A 74 7.908 -6.533 -14.786 1.00 2.23 O ATOM 0 H ASP A 74 11.607 -4.159 -13.056 1.00 31.25 H new ATOM 0 HA ASP A 74 8.901 -3.428 -12.602 1.00 1.04 H new ATOM 0 HB2 ASP A 74 9.805 -4.149 -14.789 1.00 22.34 H new ATOM 0 HB3 ASP A 74 10.158 -5.738 -14.138 1.00 22.34 H new ATOM 1121 N TYR A 75 9.990 -6.191 -11.204 1.00 12.21 N ATOM 1122 CA TYR A 75 9.664 -7.223 -10.227 1.00 0.45 C ATOM 1123 C TYR A 75 9.352 -6.606 -8.866 1.00 42.35 C ATOM 1124 O TYR A 75 8.225 -6.689 -8.377 1.00 45.14 O ATOM 1125 CB TYR A 75 10.821 -8.214 -10.096 1.00 21.52 C ATOM 1126 CG TYR A 75 10.408 -9.557 -9.536 1.00 13.33 C ATOM 1127 CD1 TYR A 75 9.833 -9.658 -8.275 1.00 3.15 C ATOM 1128 CD2 TYR A 75 10.592 -10.724 -10.267 1.00 3.41 C ATOM 1129 CE1 TYR A 75 9.455 -10.882 -7.758 1.00 74.12 C ATOM 1130 CE2 TYR A 75 10.215 -11.952 -9.759 1.00 43.32 C ATOM 1131 CZ TYR A 75 9.647 -12.026 -8.505 1.00 2.15 C ATOM 1132 OH TYR A 75 9.272 -13.248 -7.995 1.00 13.33 O ATOM 0 H TYR A 75 10.960 -6.200 -11.519 1.00 12.21 H new ATOM 0 HA TYR A 75 8.778 -7.753 -10.578 1.00 0.45 H new ATOM 0 HB2 TYR A 75 11.274 -8.362 -11.076 1.00 21.52 H new ATOM 0 HB3 TYR A 75 11.587 -7.782 -9.453 1.00 21.52 H new ATOM 0 HD1 TYR A 75 9.679 -8.764 -7.689 1.00 3.15 H new ATOM 0 HD2 TYR A 75 11.037 -10.670 -11.249 1.00 3.41 H new ATOM 0 HE1 TYR A 75 9.012 -10.943 -6.775 1.00 74.12 H new ATOM 0 HE2 TYR A 75 10.364 -12.849 -10.341 1.00 43.32 H new ATOM 0 HH TYR A 75 9.910 -13.524 -7.304 1.00 13.33 H new ATOM 1142 N VAL A 76 10.360 -5.985 -8.260 1.00 74.34 N ATOM 1143 CA VAL A 76 10.194 -5.352 -6.958 1.00 5.14 C ATOM 1144 C VAL A 76 8.988 -4.420 -6.948 1.00 71.14 C ATOM 1145 O VAL A 76 8.242 -4.363 -5.972 1.00 24.15 O ATOM 1146 CB VAL A 76 11.449 -4.553 -6.559 1.00 4.21 C ATOM 1147 CG1 VAL A 76 12.623 -5.489 -6.313 1.00 50.23 C ATOM 1148 CG2 VAL A 76 11.790 -3.527 -7.630 1.00 31.24 C ATOM 0 H VAL A 76 11.299 -5.907 -8.650 1.00 74.34 H new ATOM 0 HA VAL A 76 10.036 -6.153 -6.235 1.00 5.14 H new ATOM 0 HB VAL A 76 11.239 -4.021 -5.631 1.00 4.21 H new ATOM 0 HG11 VAL A 76 13.500 -4.906 -6.032 1.00 50.23 H new ATOM 0 HG12 VAL A 76 12.374 -6.181 -5.508 1.00 50.23 H new ATOM 0 HG13 VAL A 76 12.837 -6.051 -7.222 1.00 50.23 H new ATOM 0 HG21 VAL A 76 12.679 -2.972 -7.332 1.00 31.24 H new ATOM 0 HG22 VAL A 76 11.980 -4.037 -8.575 1.00 31.24 H new ATOM 0 HG23 VAL A 76 10.955 -2.837 -7.752 1.00 31.24 H new ATOM 1158 N ASN A 77 8.802 -3.691 -8.044 1.00 72.21 N ATOM 1159 CA ASN A 77 7.685 -2.761 -8.163 1.00 11.14 C ATOM 1160 C ASN A 77 6.354 -3.506 -8.164 1.00 72.41 C ATOM 1161 O ASN A 77 5.393 -3.083 -7.522 1.00 32.01 O ATOM 1162 CB ASN A 77 7.819 -1.931 -9.441 1.00 52.10 C ATOM 1163 CG ASN A 77 6.754 -0.857 -9.547 1.00 54.22 C ATOM 1164 OD1 ASN A 77 5.559 -1.140 -9.456 1.00 60.44 O ATOM 1165 ND2 ASN A 77 7.183 0.385 -9.741 1.00 31.21 N ATOM 0 H ASN A 77 9.410 -3.726 -8.862 1.00 72.21 H new ATOM 0 HA ASN A 77 7.707 -2.094 -7.301 1.00 11.14 H new ATOM 0 HB2 ASN A 77 8.804 -1.466 -9.467 1.00 52.10 H new ATOM 0 HB3 ASN A 77 7.754 -2.590 -10.307 1.00 52.10 H new ATOM 0 HD21 ASN A 77 6.513 1.150 -9.821 1.00 31.21 H new ATOM 0 HD22 ASN A 77 8.183 0.574 -9.810 1.00 31.21 H new ATOM 1172 N SER A 78 6.306 -4.619 -8.890 1.00 33.03 N ATOM 1173 CA SER A 78 5.092 -5.422 -8.978 1.00 31.44 C ATOM 1174 C SER A 78 4.846 -6.179 -7.676 1.00 31.31 C ATOM 1175 O SER A 78 3.717 -6.568 -7.374 1.00 61.11 O ATOM 1176 CB SER A 78 5.191 -6.408 -10.143 1.00 70.42 C ATOM 1177 OG SER A 78 4.027 -7.212 -10.231 1.00 64.43 O ATOM 0 H SER A 78 7.093 -4.985 -9.425 1.00 33.03 H new ATOM 0 HA SER A 78 4.252 -4.749 -9.151 1.00 31.44 H new ATOM 0 HB2 SER A 78 5.330 -5.861 -11.076 1.00 70.42 H new ATOM 0 HB3 SER A 78 6.067 -7.044 -10.012 1.00 70.42 H new ATOM 0 HG SER A 78 4.114 -7.833 -10.984 1.00 64.43 H new ATOM 1183 N HIS A 79 5.911 -6.385 -6.908 1.00 2.11 N ATOM 1184 CA HIS A 79 5.812 -7.095 -5.638 1.00 3.25 C ATOM 1185 C HIS A 79 6.030 -6.143 -4.465 1.00 33.10 C ATOM 1186 O HIS A 79 7.029 -6.239 -3.754 1.00 23.24 O ATOM 1187 CB HIS A 79 6.834 -8.231 -5.583 1.00 73.23 C ATOM 1188 CG HIS A 79 6.555 -9.334 -6.558 1.00 2.12 C ATOM 1189 ND1 HIS A 79 6.383 -9.119 -7.909 1.00 11.51 N ATOM 1190 CD2 HIS A 79 6.421 -10.668 -6.371 1.00 0.32 C ATOM 1191 CE1 HIS A 79 6.153 -10.272 -8.511 1.00 10.15 C ATOM 1192 NE2 HIS A 79 6.171 -11.228 -7.599 1.00 64.14 N ATOM 0 H HIS A 79 6.852 -6.070 -7.143 1.00 2.11 H new ATOM 0 HA HIS A 79 4.809 -7.515 -5.562 1.00 3.25 H new ATOM 0 HB2 HIS A 79 7.827 -7.826 -5.779 1.00 73.23 H new ATOM 0 HB3 HIS A 79 6.852 -8.644 -4.575 1.00 73.23 H new ATOM 0 HD2 HIS A 79 6.497 -11.194 -5.431 1.00 0.32 H new ATOM 0 HE1 HIS A 79 5.980 -10.410 -9.568 1.00 10.15 H new ATOM 0 HE2 HIS A 79 6.023 -12.221 -7.778 1.00 64.14 H new ATOM 1200 N GLN A 80 5.088 -5.226 -4.271 1.00 51.53 N ATOM 1201 CA GLN A 80 5.178 -4.256 -3.186 1.00 23.00 C ATOM 1202 C GLN A 80 5.294 -4.958 -1.837 1.00 62.11 C ATOM 1203 O GLN A 80 5.357 -4.310 -0.791 1.00 63.45 O ATOM 1204 CB GLN A 80 3.956 -3.336 -3.192 1.00 60.32 C ATOM 1205 CG GLN A 80 4.162 -2.056 -3.985 1.00 2.20 C ATOM 1206 CD GLN A 80 3.738 -2.192 -5.434 1.00 41.30 C ATOM 1207 OE1 GLN A 80 3.222 -3.231 -5.847 1.00 11.40 O ATOM 1208 NE2 GLN A 80 3.954 -1.140 -6.216 1.00 31.05 N ATOM 0 H GLN A 80 4.254 -5.134 -4.851 1.00 51.53 H new ATOM 0 HA GLN A 80 6.075 -3.657 -3.342 1.00 23.00 H new ATOM 0 HB2 GLN A 80 3.106 -3.878 -3.607 1.00 60.32 H new ATOM 0 HB3 GLN A 80 3.700 -3.079 -2.164 1.00 60.32 H new ATOM 0 HG2 GLN A 80 3.596 -1.249 -3.519 1.00 2.20 H new ATOM 0 HG3 GLN A 80 5.214 -1.773 -3.943 1.00 2.20 H new ATOM 0 HE21 GLN A 80 4.384 -0.299 -5.832 1.00 31.05 H new ATOM 0 HE22 GLN A 80 3.689 -1.173 -7.201 1.00 31.05 H new