USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 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 44 SER OG : rot 110:sc= 0.882 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 149:sc= 0.962 (180deg=0) USER MOD Set 2.1: A 108 TYR OH : rot -32:sc= 0.148 USER MOD Set 2.2: A 122 ASN :FLIP amide:sc= -4.05! C(o=-6!,f=-3.9!) USER MOD Set 3.1: A 104 SER OG : rot 120:sc= 0.768 USER MOD Set 3.2: A 110 HIS :FLIP no HD1:sc= -4 F(o=-4.5,f=-3.2) USER MOD Set 4.1: A 94 GLN : amide:sc= 0.121 K(o=0.12,f=-0.56) USER MOD Set 4.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 49 GLN : amide:sc= -0.231 K(o=-0.17,f=-2.8!) USER MOD Set 5.2: A 51 TYR OH : rot -175:sc= 0.0571 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0635 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 28:sc= 0.0309 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 43 MET CE :methyl -155:sc= -1.33 (180deg=-4.54!) USER MOD Single : A 45 SER OG : rot -36:sc= 1.04 USER MOD Single : A 56 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.26) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 77:sc= -1.58 USER MOD Single : A 64 SER OG : rot 137:sc= -3.95 USER MOD Single : A 68 CYS SG : rot -18:sc= -1.69! USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.639) USER MOD Single : A 77 SER OG : rot 113:sc= 0.619 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.554 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.171) USER MOD Single : A 98 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.1!) USER MOD Single : A 99 ASN : amide:sc= -0.235 K(o=-0.24,f=-5.3!) USER MOD Single : A 102 TYR OH : rot 133:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= -0.0543 K(o=-0.054,f=-0.66) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 5:sc= 0.565! USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.853 K(o=-0.85,f=-3.5!) USER MOD Single : A 125 ASN : amide:sc= -0.327 K(o=-0.33,f=-3!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0319) USER MOD Single : A 137 THR OG1 : rot -102:sc= -3.05! USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -7.169 16.697 8.713 1.00 0.00 N ATOM 14 CA LEU A 2 -6.196 15.621 8.794 1.00 0.00 C ATOM 15 C LEU A 2 -6.250 14.994 10.189 1.00 0.00 C ATOM 16 O LEU A 2 -6.443 15.695 11.181 1.00 0.00 O ATOM 17 CB LEU A 2 -4.806 16.124 8.400 1.00 0.00 C ATOM 18 CG LEU A 2 -4.585 16.385 6.909 1.00 0.00 C ATOM 19 CD1 LEU A 2 -5.255 17.691 6.476 1.00 0.00 C ATOM 20 CD2 LEU A 2 -3.095 16.363 6.563 1.00 0.00 C ATOM 0 HA LEU A 2 -6.439 14.834 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.608 17.048 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.069 15.394 8.734 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.057 15.579 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.083 17.853 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.327 17.630 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.833 18.521 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.966 16.551 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.578 17.135 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.678 15.387 6.812 1.00 0.00 H new ATOM 32 N PRO A 3 -6.073 13.646 10.221 1.00 0.00 N ATOM 33 CA PRO A 3 -6.100 12.918 11.478 1.00 0.00 C ATOM 34 C PRO A 3 -4.810 13.141 12.269 1.00 0.00 C ATOM 35 O PRO A 3 -3.816 13.614 11.721 1.00 0.00 O ATOM 36 CB PRO A 3 -6.313 11.464 11.085 1.00 0.00 C ATOM 37 CG PRO A 3 -5.932 11.370 9.617 1.00 0.00 C ATOM 38 CD PRO A 3 -5.844 12.783 9.066 1.00 0.00 C ATOM 0 HA PRO A 3 -6.893 13.257 12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.696 10.801 11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.350 11.165 11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.978 10.856 9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.674 10.791 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.869 12.973 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.591 12.953 8.290 1.00 0.00 H new ATOM 46 N PRO A 4 -4.869 12.780 13.579 1.00 0.00 N ATOM 47 CA PRO A 4 -3.717 12.936 14.451 1.00 0.00 C ATOM 48 C PRO A 4 -2.665 11.862 14.168 1.00 0.00 C ATOM 49 O PRO A 4 -3.001 10.694 13.973 1.00 0.00 O ATOM 50 CB PRO A 4 -4.278 12.859 15.862 1.00 0.00 C ATOM 51 CG PRO A 4 -5.643 12.203 15.732 1.00 0.00 C ATOM 52 CD PRO A 4 -6.029 12.216 14.262 1.00 0.00 C ATOM 0 HA PRO A 4 -3.196 13.881 14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.625 12.276 16.511 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.362 13.852 16.304 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.613 11.181 16.110 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -6.383 12.740 16.326 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.251 11.211 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.921 12.819 14.092 1.00 0.00 H new ATOM 60 N PRO A 5 -1.380 12.306 14.151 1.00 0.00 N ATOM 61 CA PRO A 5 -0.277 11.396 13.895 1.00 0.00 C ATOM 62 C PRO A 5 0.005 10.519 15.115 1.00 0.00 C ATOM 63 O PRO A 5 -0.029 10.995 16.249 1.00 0.00 O ATOM 64 CB PRO A 5 0.894 12.292 13.523 1.00 0.00 C ATOM 65 CG PRO A 5 0.536 13.678 14.035 1.00 0.00 C ATOM 66 CD PRO A 5 -0.945 13.681 14.376 1.00 0.00 C ATOM 0 HA PRO A 5 -0.492 10.690 13.093 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.819 11.935 13.976 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.051 12.302 12.444 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.131 13.925 14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.755 14.432 13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.113 13.985 15.409 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.495 14.379 13.745 1.00 0.00 H new ATOM 74 N GLU A 6 0.278 9.251 14.843 1.00 0.00 N ATOM 75 CA GLU A 6 0.566 8.302 15.905 1.00 0.00 C ATOM 76 C GLU A 6 1.992 7.764 15.763 1.00 0.00 C ATOM 77 O GLU A 6 2.473 7.558 14.650 1.00 0.00 O ATOM 78 CB GLU A 6 -0.453 7.161 15.912 1.00 0.00 C ATOM 79 CG GLU A 6 -1.735 7.575 16.637 1.00 0.00 C ATOM 80 CD GLU A 6 -2.965 6.954 15.973 1.00 0.00 C ATOM 81 OE1 GLU A 6 -2.930 5.725 15.748 1.00 0.00 O ATOM 82 OE2 GLU A 6 -3.914 7.722 15.705 1.00 0.00 O ATOM 0 H GLU A 6 0.306 8.859 13.902 1.00 0.00 H new ATOM 0 HA GLU A 6 0.487 8.820 16.861 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.688 6.872 14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.022 6.287 16.399 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.684 7.263 17.680 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.825 8.661 16.633 1.00 0.00 H new ATOM 89 N PRO A 7 2.643 7.546 16.937 1.00 0.00 N ATOM 90 CA PRO A 7 4.003 7.035 16.955 1.00 0.00 C ATOM 91 C PRO A 7 4.033 5.542 16.621 1.00 0.00 C ATOM 92 O PRO A 7 3.438 4.732 17.330 1.00 0.00 O ATOM 93 CB PRO A 7 4.520 7.342 18.351 1.00 0.00 C ATOM 94 CG PRO A 7 3.288 7.590 19.206 1.00 0.00 C ATOM 95 CD PRO A 7 2.103 7.778 18.273 1.00 0.00 C ATOM 0 HA PRO A 7 4.636 7.499 16.199 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.106 6.510 18.742 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.172 8.215 18.343 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.115 6.750 19.879 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.427 8.474 19.829 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.302 7.076 18.504 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.684 8.780 18.362 1.00 0.00 H new ATOM 103 N TYR A 8 4.731 5.224 15.542 1.00 0.00 N ATOM 104 CA TYR A 8 4.847 3.842 15.105 1.00 0.00 C ATOM 105 C TYR A 8 6.176 3.234 15.555 1.00 0.00 C ATOM 106 O TYR A 8 7.243 3.732 15.199 1.00 0.00 O ATOM 107 CB TYR A 8 4.808 3.879 13.576 1.00 0.00 C ATOM 108 CG TYR A 8 5.189 2.554 12.913 1.00 0.00 C ATOM 109 CD1 TYR A 8 6.517 2.257 12.676 1.00 0.00 C ATOM 110 CD2 TYR A 8 4.206 1.656 12.550 1.00 0.00 C ATOM 111 CE1 TYR A 8 6.875 1.011 12.052 1.00 0.00 C ATOM 112 CE2 TYR A 8 4.565 0.409 11.925 1.00 0.00 C ATOM 113 CZ TYR A 8 5.881 0.148 11.707 1.00 0.00 C ATOM 114 OH TYR A 8 6.221 -1.030 11.116 1.00 0.00 O ATOM 0 H TYR A 8 5.223 5.899 14.956 1.00 0.00 H new ATOM 0 HA TYR A 8 4.046 3.237 15.529 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.805 4.159 13.255 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.485 4.658 13.224 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.286 2.960 12.959 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.168 1.888 12.735 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.909 0.766 11.862 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.806 -0.303 11.636 1.00 0.00 H new ATOM 0 HH TYR A 8 5.410 -1.547 10.926 1.00 0.00 H new ATOM 207 N SER A 14 7.313 -9.361 7.103 1.00 0.00 N ATOM 208 CA SER A 14 7.615 -10.468 6.212 1.00 0.00 C ATOM 209 C SER A 14 6.755 -10.374 4.950 1.00 0.00 C ATOM 210 O SER A 14 5.569 -10.053 5.025 1.00 0.00 O ATOM 211 CB SER A 14 7.392 -11.812 6.907 1.00 0.00 C ATOM 212 OG SER A 14 8.621 -12.464 7.217 1.00 0.00 O ATOM 0 HA SER A 14 8.667 -10.404 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.823 -11.656 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.792 -12.457 6.265 1.00 0.00 H new ATOM 0 HG SER A 14 8.435 -13.318 7.661 1.00 0.00 H new ATOM 218 N TYR A 15 7.384 -10.660 3.820 1.00 0.00 N ATOM 219 CA TYR A 15 6.691 -10.611 2.544 1.00 0.00 C ATOM 220 C TYR A 15 6.508 -12.016 1.966 1.00 0.00 C ATOM 221 O TYR A 15 7.373 -12.875 2.127 1.00 0.00 O ATOM 222 CB TYR A 15 7.588 -9.799 1.607 1.00 0.00 C ATOM 223 CG TYR A 15 7.856 -8.371 2.085 1.00 0.00 C ATOM 224 CD1 TYR A 15 6.838 -7.439 2.078 1.00 0.00 C ATOM 225 CD2 TYR A 15 9.115 -8.014 2.523 1.00 0.00 C ATOM 226 CE1 TYR A 15 7.090 -6.095 2.528 1.00 0.00 C ATOM 227 CE2 TYR A 15 9.366 -6.670 2.973 1.00 0.00 C ATOM 228 CZ TYR A 15 8.342 -5.776 2.953 1.00 0.00 C ATOM 229 OH TYR A 15 8.579 -4.507 3.378 1.00 0.00 O ATOM 0 H TYR A 15 8.367 -10.927 3.761 1.00 0.00 H new ATOM 0 HA TYR A 15 5.701 -10.169 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.540 -10.317 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.125 -9.760 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.853 -7.718 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.912 -8.743 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.302 -5.356 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.347 -6.378 3.319 1.00 0.00 H new ATOM 0 HH TYR A 15 9.516 -4.424 3.653 1.00 0.00 H new ATOM 239 N PRO A 16 5.346 -12.211 1.285 1.00 0.00 N ATOM 240 CA PRO A 16 5.040 -13.496 0.682 1.00 0.00 C ATOM 241 C PRO A 16 5.861 -13.716 -0.590 1.00 0.00 C ATOM 242 O PRO A 16 6.243 -14.843 -0.900 1.00 0.00 O ATOM 243 CB PRO A 16 3.542 -13.461 0.423 1.00 0.00 C ATOM 244 CG PRO A 16 3.147 -11.994 0.459 1.00 0.00 C ATOM 245 CD PRO A 16 4.299 -11.216 1.073 1.00 0.00 C ATOM 0 HA PRO A 16 5.301 -14.335 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.302 -13.906 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.001 -14.030 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.934 -11.631 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.239 -11.858 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.637 -10.420 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.004 -10.745 2.011 1.00 0.00 H new ATOM 253 N SER A 17 6.109 -12.620 -1.292 1.00 0.00 N ATOM 254 CA SER A 17 6.879 -12.678 -2.524 1.00 0.00 C ATOM 255 C SER A 17 8.275 -13.236 -2.242 1.00 0.00 C ATOM 256 O SER A 17 8.795 -14.038 -3.015 1.00 0.00 O ATOM 257 CB SER A 17 6.981 -11.297 -3.175 1.00 0.00 C ATOM 258 OG SER A 17 7.934 -10.467 -2.520 1.00 0.00 O ATOM 0 H SER A 17 5.791 -11.687 -1.032 1.00 0.00 H new ATOM 0 HA SER A 17 6.363 -13.340 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.258 -11.410 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.004 -10.814 -3.154 1.00 0.00 H new ATOM 0 HG SER A 17 7.970 -9.595 -2.967 1.00 0.00 H new ATOM 264 N LYS A 18 8.844 -12.788 -1.132 1.00 0.00 N ATOM 265 CA LYS A 18 10.170 -13.232 -0.738 1.00 0.00 C ATOM 266 C LYS A 18 10.084 -13.950 0.610 1.00 0.00 C ATOM 267 O LYS A 18 10.709 -13.530 1.582 1.00 0.00 O ATOM 268 CB LYS A 18 11.153 -12.060 -0.749 1.00 0.00 C ATOM 269 CG LYS A 18 12.555 -12.524 -1.149 1.00 0.00 C ATOM 270 CD LYS A 18 13.541 -11.354 -1.150 1.00 0.00 C ATOM 271 CE LYS A 18 14.986 -11.854 -1.121 1.00 0.00 C ATOM 272 NZ LYS A 18 15.929 -10.713 -1.108 1.00 0.00 N ATOM 0 H LYS A 18 8.410 -12.122 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 18 10.560 -13.952 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.806 -11.296 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.186 -11.599 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.899 -13.293 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.523 -12.978 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.382 -10.741 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.356 -10.717 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.145 -12.475 -0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.177 -12.482 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.906 -11.070 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.788 -10.137 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.757 -10.130 -0.264 1.00 0.00 H new ATOM 597 N CYS A 40 0.529 -8.292 -12.904 1.00 0.00 N ATOM 598 CA CYS A 40 -0.282 -7.779 -11.814 1.00 0.00 C ATOM 599 C CYS A 40 -1.573 -7.206 -12.404 1.00 0.00 C ATOM 600 O CYS A 40 -1.553 -6.592 -13.470 1.00 0.00 O ATOM 601 CB CYS A 40 0.476 -6.741 -10.984 1.00 0.00 C ATOM 602 SG CYS A 40 1.093 -5.402 -12.067 1.00 0.00 S ATOM 0 HA CYS A 40 -0.526 -8.589 -11.127 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.180 -6.327 -10.218 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.310 -7.215 -10.467 1.00 0.00 H new ATOM 0 HG CYS A 40 0.314 -5.287 -13.101 1.00 0.00 H new ATOM 608 N VAL A 41 -2.663 -7.426 -11.685 1.00 0.00 N ATOM 609 CA VAL A 41 -3.961 -6.939 -12.123 1.00 0.00 C ATOM 610 C VAL A 41 -4.331 -5.691 -11.318 1.00 0.00 C ATOM 611 O VAL A 41 -4.104 -5.637 -10.111 1.00 0.00 O ATOM 612 CB VAL A 41 -5.002 -8.054 -12.012 1.00 0.00 C ATOM 613 CG1 VAL A 41 -5.426 -8.265 -10.557 1.00 0.00 C ATOM 614 CG2 VAL A 41 -6.215 -7.761 -12.899 1.00 0.00 C ATOM 0 H VAL A 41 -2.675 -7.935 -10.801 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.926 -6.649 -13.173 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.543 -8.978 -12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.167 -9.063 -10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.556 -8.539 -9.960 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.858 -7.344 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.940 -8.569 -12.802 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.674 -6.822 -12.589 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.896 -7.683 -13.938 1.00 0.00 H new ATOM 624 N THR A 42 -4.895 -4.720 -12.020 1.00 0.00 N ATOM 625 CA THR A 42 -5.299 -3.477 -11.386 1.00 0.00 C ATOM 626 C THR A 42 -6.724 -3.593 -10.844 1.00 0.00 C ATOM 627 O THR A 42 -7.627 -4.038 -11.551 1.00 0.00 O ATOM 628 CB THR A 42 -5.127 -2.348 -12.405 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.720 -2.293 -12.629 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.465 -0.975 -11.822 1.00 0.00 C ATOM 0 H THR A 42 -5.082 -4.769 -13.022 1.00 0.00 H new ATOM 0 HA THR A 42 -4.673 -3.253 -10.522 1.00 0.00 H new ATOM 0 HB THR A 42 -5.762 -2.541 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.520 -1.588 -13.279 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.326 -0.211 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.502 -0.968 -11.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.808 -0.767 -10.977 1.00 0.00 H new ATOM 638 N MET A 43 -6.883 -3.185 -9.593 1.00 0.00 N ATOM 639 CA MET A 43 -8.183 -3.238 -8.948 1.00 0.00 C ATOM 640 C MET A 43 -8.933 -1.913 -9.114 1.00 0.00 C ATOM 641 O MET A 43 -10.021 -1.880 -9.686 1.00 0.00 O ATOM 642 CB MET A 43 -8.002 -3.539 -7.459 1.00 0.00 C ATOM 643 CG MET A 43 -8.242 -5.020 -7.165 1.00 0.00 C ATOM 644 SD MET A 43 -9.863 -5.248 -6.453 1.00 0.00 S ATOM 645 CE MET A 43 -9.736 -4.166 -5.040 1.00 0.00 C ATOM 0 H MET A 43 -6.132 -2.816 -9.009 1.00 0.00 H new ATOM 0 HA MET A 43 -8.769 -4.027 -9.419 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.995 -3.262 -7.148 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.694 -2.932 -6.875 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.155 -5.600 -8.084 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.480 -5.391 -6.480 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.429 -4.495 -4.266 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.718 -4.193 -4.651 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.983 -3.147 -5.339 1.00 0.00 H new ATOM 655 N SER A 44 -8.320 -0.856 -8.605 1.00 0.00 N ATOM 656 CA SER A 44 -8.915 0.468 -8.689 1.00 0.00 C ATOM 657 C SER A 44 -7.828 1.538 -8.581 1.00 0.00 C ATOM 658 O SER A 44 -6.746 1.279 -8.056 1.00 0.00 O ATOM 659 CB SER A 44 -9.969 0.668 -7.598 1.00 0.00 C ATOM 660 OG SER A 44 -11.039 1.500 -8.036 1.00 0.00 O ATOM 0 H SER A 44 -7.417 -0.888 -8.132 1.00 0.00 H new ATOM 0 HA SER A 44 -9.410 0.560 -9.656 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.364 -0.301 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.501 1.111 -6.719 1.00 0.00 H new ATOM 0 HG SER A 44 -11.851 0.961 -8.141 1.00 0.00 H new ATOM 666 N SER A 45 -8.154 2.719 -9.086 1.00 0.00 N ATOM 667 CA SER A 45 -7.219 3.830 -9.052 1.00 0.00 C ATOM 668 C SER A 45 -7.890 5.062 -8.439 1.00 0.00 C ATOM 669 O SER A 45 -9.006 5.416 -8.815 1.00 0.00 O ATOM 670 CB SER A 45 -6.696 4.153 -10.452 1.00 0.00 C ATOM 671 OG SER A 45 -5.316 4.507 -10.440 1.00 0.00 O ATOM 0 H SER A 45 -9.052 2.930 -9.521 1.00 0.00 H new ATOM 0 HA SER A 45 -6.369 3.542 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.843 3.290 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.276 4.973 -10.875 1.00 0.00 H new ATOM 0 HG SER A 45 -5.116 5.018 -9.628 1.00 0.00 H new ATOM 677 N ALA A 46 -7.181 5.680 -7.506 1.00 0.00 N ATOM 678 CA ALA A 46 -7.695 6.863 -6.838 1.00 0.00 C ATOM 679 C ALA A 46 -6.527 7.775 -6.455 1.00 0.00 C ATOM 680 O ALA A 46 -5.563 7.329 -5.836 1.00 0.00 O ATOM 681 CB ALA A 46 -8.528 6.444 -5.625 1.00 0.00 C ATOM 0 H ALA A 46 -6.255 5.384 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.349 7.426 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.913 7.332 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.361 5.822 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.904 5.879 -4.933 1.00 0.00 H new ATOM 687 N VAL A 47 -6.652 9.037 -6.841 1.00 0.00 N ATOM 688 CA VAL A 47 -5.619 10.015 -6.547 1.00 0.00 C ATOM 689 C VAL A 47 -5.574 10.266 -5.038 1.00 0.00 C ATOM 690 O VAL A 47 -6.583 10.632 -4.436 1.00 0.00 O ATOM 691 CB VAL A 47 -5.860 11.290 -7.358 1.00 0.00 C ATOM 692 CG1 VAL A 47 -4.973 12.432 -6.858 1.00 0.00 C ATOM 693 CG2 VAL A 47 -5.642 11.039 -8.851 1.00 0.00 C ATOM 0 H VAL A 47 -7.453 9.404 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.640 9.637 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.899 11.586 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.163 13.327 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.198 12.636 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.925 12.148 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.820 11.961 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.617 10.707 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.333 10.270 -9.195 1.00 0.00 H new ATOM 703 N VAL A 48 -4.396 10.058 -4.470 1.00 0.00 N ATOM 704 CA VAL A 48 -4.207 10.257 -3.043 1.00 0.00 C ATOM 705 C VAL A 48 -2.902 11.018 -2.807 1.00 0.00 C ATOM 706 O VAL A 48 -2.069 11.124 -3.706 1.00 0.00 O ATOM 707 CB VAL A 48 -4.254 8.911 -2.317 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.312 7.992 -2.933 1.00 0.00 C ATOM 709 CG2 VAL A 48 -2.879 8.240 -2.316 1.00 0.00 C ATOM 0 H VAL A 48 -3.562 9.753 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.015 10.862 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.536 9.099 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.325 7.042 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.292 8.464 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.074 7.815 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.940 7.285 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.556 8.072 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.160 8.885 -1.810 1.00 0.00 H new ATOM 719 N GLN A 49 -2.763 11.530 -1.593 1.00 0.00 N ATOM 720 CA GLN A 49 -1.573 12.279 -1.227 1.00 0.00 C ATOM 721 C GLN A 49 -0.769 11.515 -0.171 1.00 0.00 C ATOM 722 O GLN A 49 -1.268 11.248 0.920 1.00 0.00 O ATOM 723 CB GLN A 49 -1.937 13.680 -0.731 1.00 0.00 C ATOM 724 CG GLN A 49 -2.811 14.412 -1.752 1.00 0.00 C ATOM 725 CD GLN A 49 -3.384 15.700 -1.159 1.00 0.00 C ATOM 726 OE1 GLN A 49 -2.918 16.213 -0.154 1.00 0.00 O ATOM 727 NE2 GLN A 49 -4.418 16.193 -1.834 1.00 0.00 N ATOM 0 H GLN A 49 -3.456 11.441 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.952 12.394 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.465 13.608 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.028 14.253 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.222 14.646 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.625 13.761 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.758 15.714 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.871 17.051 -1.518 1.00 0.00 H new ATOM 736 N LEU A 50 0.462 11.187 -0.536 1.00 0.00 N ATOM 737 CA LEU A 50 1.340 10.460 0.366 1.00 0.00 C ATOM 738 C LEU A 50 1.927 11.431 1.393 1.00 0.00 C ATOM 739 O LEU A 50 2.586 12.403 1.027 1.00 0.00 O ATOM 740 CB LEU A 50 2.397 9.686 -0.423 1.00 0.00 C ATOM 741 CG LEU A 50 3.052 8.511 0.306 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.705 8.970 1.611 1.00 0.00 C ATOM 743 CD2 LEU A 50 2.047 7.380 0.535 1.00 0.00 C ATOM 0 H LEU A 50 0.872 11.411 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 50 0.778 9.709 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.937 9.310 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.179 10.383 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 50 3.845 8.115 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.163 8.115 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.470 9.715 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.948 9.407 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.538 6.557 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.217 7.747 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.669 7.029 -0.425 1.00 0.00 H new ATOM 755 N TYR A 51 1.665 11.135 2.657 1.00 0.00 N ATOM 756 CA TYR A 51 2.159 11.970 3.739 1.00 0.00 C ATOM 757 C TYR A 51 2.852 11.126 4.810 1.00 0.00 C ATOM 758 O TYR A 51 2.584 9.932 4.936 1.00 0.00 O ATOM 759 CB TYR A 51 0.928 12.639 4.352 1.00 0.00 C ATOM 760 CG TYR A 51 0.509 13.933 3.650 1.00 0.00 C ATOM 761 CD1 TYR A 51 1.079 15.135 4.020 1.00 0.00 C ATOM 762 CD2 TYR A 51 -0.438 13.899 2.646 1.00 0.00 C ATOM 763 CE1 TYR A 51 0.684 16.352 3.359 1.00 0.00 C ATOM 764 CE2 TYR A 51 -0.832 15.115 1.986 1.00 0.00 C ATOM 765 CZ TYR A 51 -0.251 16.283 2.375 1.00 0.00 C ATOM 766 OH TYR A 51 -0.624 17.432 1.751 1.00 0.00 O ATOM 0 H TYR A 51 1.117 10.329 2.957 1.00 0.00 H new ATOM 0 HA TYR A 51 2.885 12.692 3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.095 11.937 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.129 12.856 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.821 15.162 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.883 12.959 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.121 17.299 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.572 15.102 1.200 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.355 17.242 1.126 1.00 0.00 H new ATOM 776 N ALA A 52 3.731 11.779 5.557 1.00 0.00 N ATOM 777 CA ALA A 52 4.464 11.104 6.614 1.00 0.00 C ATOM 778 C ALA A 52 4.267 11.860 7.929 1.00 0.00 C ATOM 779 O ALA A 52 4.418 13.080 7.976 1.00 0.00 O ATOM 780 CB ALA A 52 5.938 10.990 6.220 1.00 0.00 C ATOM 0 H ALA A 52 3.952 12.769 5.451 1.00 0.00 H new ATOM 0 HA ALA A 52 4.086 10.092 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.488 10.484 7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.024 10.418 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.353 11.987 6.070 1.00 0.00 H new ATOM 786 N ALA A 53 3.936 11.105 8.966 1.00 0.00 N ATOM 787 CA ALA A 53 3.718 11.690 10.278 1.00 0.00 C ATOM 788 C ALA A 53 5.066 11.889 10.973 1.00 0.00 C ATOM 789 O ALA A 53 5.540 11.003 11.681 1.00 0.00 O ATOM 790 CB ALA A 53 2.773 10.797 11.084 1.00 0.00 C ATOM 0 H ALA A 53 3.813 10.093 8.924 1.00 0.00 H new ATOM 0 HA ALA A 53 3.246 12.668 10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.609 11.236 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.820 10.711 10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.216 9.807 11.197 1.00 0.00 H new ATOM 796 N ASP A 54 5.644 13.059 10.747 1.00 0.00 N ATOM 797 CA ASP A 54 6.929 13.387 11.342 1.00 0.00 C ATOM 798 C ASP A 54 7.092 14.907 11.389 1.00 0.00 C ATOM 799 O ASP A 54 6.164 15.645 11.060 1.00 0.00 O ATOM 800 CB ASP A 54 8.082 12.813 10.515 1.00 0.00 C ATOM 801 CG ASP A 54 9.077 11.958 11.301 1.00 0.00 C ATOM 802 OD1 ASP A 54 9.832 12.554 12.100 1.00 0.00 O ATOM 803 OD2 ASP A 54 9.062 10.727 11.085 1.00 0.00 O ATOM 0 H ASP A 54 5.246 13.792 10.160 1.00 0.00 H new ATOM 0 HA ASP A 54 6.955 12.958 12.344 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.666 12.210 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.622 13.638 10.050 1.00 0.00 H new ATOM 808 N ARG A 55 8.277 15.331 11.801 1.00 0.00 N ATOM 809 CA ARG A 55 8.574 16.750 11.896 1.00 0.00 C ATOM 810 C ARG A 55 7.673 17.412 12.940 1.00 0.00 C ATOM 811 O ARG A 55 6.795 18.203 12.596 1.00 0.00 O ATOM 812 CB ARG A 55 8.376 17.445 10.548 1.00 0.00 C ATOM 813 CG ARG A 55 9.441 18.521 10.323 1.00 0.00 C ATOM 814 CD ARG A 55 9.860 18.580 8.854 1.00 0.00 C ATOM 815 NE ARG A 55 9.608 19.932 8.309 1.00 0.00 N ATOM 816 CZ ARG A 55 10.045 20.354 7.114 1.00 0.00 C ATOM 817 NH1 ARG A 55 10.758 19.533 6.333 1.00 0.00 N ATOM 818 NH2 ARG A 55 9.769 21.599 6.702 1.00 0.00 N ATOM 0 H ARG A 55 9.044 14.716 12.073 1.00 0.00 H new ATOM 0 HA ARG A 55 9.617 16.851 12.195 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.422 16.709 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.385 17.896 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.054 19.491 10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.311 18.312 10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.917 18.332 8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.305 17.838 8.279 1.00 0.00 H new ATOM 0 HE ARG A 55 9.068 20.584 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.969 18.586 6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.090 19.855 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.227 22.225 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.101 21.921 5.793 1.00 0.00 H new ATOM 832 N ASN A 56 7.920 17.065 14.194 1.00 0.00 N ATOM 833 CA ASN A 56 7.142 17.615 15.291 1.00 0.00 C ATOM 834 C ASN A 56 5.726 17.039 15.246 1.00 0.00 C ATOM 835 O ASN A 56 4.778 17.675 15.701 1.00 0.00 O ATOM 836 CB ASN A 56 7.036 19.137 15.182 1.00 0.00 C ATOM 837 CG ASN A 56 7.584 19.817 16.439 1.00 0.00 C ATOM 838 OD1 ASN A 56 7.369 19.379 17.557 1.00 0.00 O ATOM 839 ND2 ASN A 56 8.303 20.909 16.194 1.00 0.00 N ATOM 0 H ASN A 56 8.649 16.409 14.475 1.00 0.00 H new ATOM 0 HA ASN A 56 7.643 17.354 16.223 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.588 19.482 14.308 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.995 19.423 15.034 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.713 21.434 16.967 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.445 21.221 15.233 1.00 0.00 H new ATOM 846 N CYS A 57 5.627 15.840 14.691 1.00 0.00 N ATOM 847 CA CYS A 57 4.342 15.170 14.580 1.00 0.00 C ATOM 848 C CYS A 57 3.461 15.976 13.625 1.00 0.00 C ATOM 849 O CYS A 57 2.458 16.555 14.038 1.00 0.00 O ATOM 850 CB CYS A 57 3.680 14.984 15.947 1.00 0.00 C ATOM 851 SG CYS A 57 4.235 13.413 16.703 1.00 0.00 S ATOM 0 H CYS A 57 6.416 15.315 14.313 1.00 0.00 H new ATOM 0 HA CYS A 57 4.486 14.166 14.180 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.932 15.820 16.599 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.596 14.981 15.838 1.00 0.00 H new ATOM 0 HG CYS A 57 3.669 13.266 17.864 1.00 0.00 H new ATOM 857 N MET A 58 3.867 15.988 12.364 1.00 0.00 N ATOM 858 CA MET A 58 3.128 16.715 11.345 1.00 0.00 C ATOM 859 C MET A 58 3.256 16.031 9.982 1.00 0.00 C ATOM 860 O MET A 58 4.364 15.819 9.492 1.00 0.00 O ATOM 861 CB MET A 58 3.659 18.146 11.251 1.00 0.00 C ATOM 862 CG MET A 58 2.649 19.145 11.817 1.00 0.00 C ATOM 863 SD MET A 58 1.198 19.200 10.779 1.00 0.00 S ATOM 864 CE MET A 58 1.548 20.676 9.837 1.00 0.00 C ATOM 0 H MET A 58 4.699 15.506 12.024 1.00 0.00 H new ATOM 0 HA MET A 58 2.075 16.728 11.626 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.599 18.225 11.797 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.873 18.390 10.211 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.370 18.858 12.831 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.100 20.135 11.879 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.736 20.860 9.134 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.641 21.526 10.513 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.481 20.545 9.288 1.00 0.00 H new ATOM 874 N TRP A 59 2.106 15.705 9.409 1.00 0.00 N ATOM 875 CA TRP A 59 2.076 15.050 8.112 1.00 0.00 C ATOM 876 C TRP A 59 2.987 15.834 7.165 1.00 0.00 C ATOM 877 O TRP A 59 2.808 17.037 6.981 1.00 0.00 O ATOM 878 CB TRP A 59 0.641 14.924 7.595 1.00 0.00 C ATOM 879 CG TRP A 59 -0.349 14.390 8.632 1.00 0.00 C ATOM 880 CD1 TRP A 59 -1.305 15.067 9.284 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.443 13.033 9.112 1.00 0.00 C ATOM 882 NE1 TRP A 59 -2.005 14.247 10.146 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.464 12.972 10.039 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.310 11.894 8.776 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.826 11.794 10.705 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.063 10.725 9.450 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.089 10.648 10.385 1.00 0.00 C ATOM 0 H TRP A 59 1.189 15.882 9.819 1.00 0.00 H new ATOM 0 HA TRP A 59 2.449 14.029 8.187 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.302 15.902 7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.635 14.264 6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.502 16.121 9.152 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.778 14.526 10.751 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.113 11.919 8.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.630 11.771 11.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.484 9.821 9.228 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.317 9.707 10.863 1.00 0.00 H new ATOM 898 N SER A 60 3.942 15.120 6.589 1.00 0.00 N ATOM 899 CA SER A 60 4.881 15.735 5.665 1.00 0.00 C ATOM 900 C SER A 60 4.656 15.192 4.253 1.00 0.00 C ATOM 901 O SER A 60 4.967 14.035 3.971 1.00 0.00 O ATOM 902 CB SER A 60 6.326 15.489 6.104 1.00 0.00 C ATOM 903 OG SER A 60 6.733 16.391 7.129 1.00 0.00 O ATOM 0 H SER A 60 4.086 14.122 6.744 1.00 0.00 H new ATOM 0 HA SER A 60 4.707 16.811 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.427 14.464 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.989 15.593 5.245 1.00 0.00 H new ATOM 0 HG SER A 60 7.660 16.201 7.383 1.00 0.00 H new ATOM 909 N LYS A 61 4.116 16.052 3.401 1.00 0.00 N ATOM 910 CA LYS A 61 3.846 15.673 2.025 1.00 0.00 C ATOM 911 C LYS A 61 5.136 15.167 1.377 1.00 0.00 C ATOM 912 O LYS A 61 6.195 15.771 1.540 1.00 0.00 O ATOM 913 CB LYS A 61 3.191 16.831 1.270 1.00 0.00 C ATOM 914 CG LYS A 61 3.035 16.497 -0.215 1.00 0.00 C ATOM 915 CD LYS A 61 2.145 17.526 -0.918 1.00 0.00 C ATOM 916 CE LYS A 61 2.951 18.357 -1.918 1.00 0.00 C ATOM 917 NZ LYS A 61 2.902 17.740 -3.262 1.00 0.00 N ATOM 0 H LYS A 61 3.858 17.010 3.638 1.00 0.00 H new ATOM 0 HA LYS A 61 3.129 14.853 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.214 17.046 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.795 17.731 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.015 16.473 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.603 15.502 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.332 17.016 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.689 18.183 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.553 19.371 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.986 18.435 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.454 18.316 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.303 16.781 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.915 17.688 -3.584 1.00 0.00 H new ATOM 931 N LYS A 62 5.006 14.064 0.654 1.00 0.00 N ATOM 932 CA LYS A 62 6.147 13.471 -0.019 1.00 0.00 C ATOM 933 C LYS A 62 5.990 13.644 -1.531 1.00 0.00 C ATOM 934 O LYS A 62 6.953 13.959 -2.227 1.00 0.00 O ATOM 935 CB LYS A 62 6.331 12.015 0.418 1.00 0.00 C ATOM 936 CG LYS A 62 7.707 11.802 1.051 1.00 0.00 C ATOM 937 CD LYS A 62 8.020 10.311 1.194 1.00 0.00 C ATOM 938 CE LYS A 62 7.686 9.813 2.602 1.00 0.00 C ATOM 939 NZ LYS A 62 8.894 9.268 3.258 1.00 0.00 N ATOM 0 H LYS A 62 4.126 13.566 0.520 1.00 0.00 H new ATOM 0 HA LYS A 62 7.065 13.984 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.553 11.745 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.217 11.356 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.471 12.280 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.739 12.279 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.449 9.744 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.075 10.135 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.280 10.631 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.915 9.044 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.650 8.934 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.265 8.474 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.618 10.012 3.326 1.00 0.00 H new ATOM 953 N CYS A 63 4.766 13.431 -1.993 1.00 0.00 N ATOM 954 CA CYS A 63 4.470 13.559 -3.410 1.00 0.00 C ATOM 955 C CYS A 63 3.166 12.813 -3.697 1.00 0.00 C ATOM 956 O CYS A 63 3.102 11.591 -3.565 1.00 0.00 O ATOM 957 CB CYS A 63 5.623 13.048 -4.278 1.00 0.00 C ATOM 958 SG CYS A 63 6.574 14.461 -4.948 1.00 0.00 S ATOM 0 H CYS A 63 3.969 13.171 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 63 4.349 14.612 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.277 12.406 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.233 12.441 -5.095 1.00 0.00 H new ATOM 0 HG CYS A 63 7.344 14.945 -4.019 1.00 0.00 H new ATOM 964 N SER A 64 2.156 13.579 -4.086 1.00 0.00 N ATOM 965 CA SER A 64 0.857 13.006 -4.392 1.00 0.00 C ATOM 966 C SER A 64 0.714 12.810 -5.902 1.00 0.00 C ATOM 967 O SER A 64 1.548 13.282 -6.675 1.00 0.00 O ATOM 968 CB SER A 64 -0.274 13.889 -3.862 1.00 0.00 C ATOM 969 OG SER A 64 -0.030 14.327 -2.529 1.00 0.00 O ATOM 0 H SER A 64 2.212 14.592 -4.196 1.00 0.00 H new ATOM 0 HA SER A 64 0.786 12.037 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.392 14.756 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.212 13.335 -3.895 1.00 0.00 H new ATOM 0 HG SER A 64 -0.263 15.275 -2.448 1.00 0.00 H new ATOM 975 N GLY A 65 -0.347 12.114 -6.281 1.00 0.00 N ATOM 976 CA GLY A 65 -0.609 11.851 -7.685 1.00 0.00 C ATOM 977 C GLY A 65 -1.669 10.760 -7.849 1.00 0.00 C ATOM 978 O GLY A 65 -2.479 10.534 -6.951 1.00 0.00 O ATOM 0 H GLY A 65 -1.036 11.723 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.945 12.766 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.313 11.545 -8.180 1.00 0.00 H new ATOM 982 N VAL A 66 -1.630 10.110 -9.004 1.00 0.00 N ATOM 983 CA VAL A 66 -2.577 9.048 -9.298 1.00 0.00 C ATOM 984 C VAL A 66 -2.004 7.713 -8.822 1.00 0.00 C ATOM 985 O VAL A 66 -0.948 7.284 -9.288 1.00 0.00 O ATOM 986 CB VAL A 66 -2.922 9.053 -10.789 1.00 0.00 C ATOM 987 CG1 VAL A 66 -4.277 8.388 -11.041 1.00 0.00 C ATOM 988 CG2 VAL A 66 -2.895 10.474 -11.354 1.00 0.00 C ATOM 0 H VAL A 66 -0.957 10.299 -9.747 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.511 9.210 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.162 8.471 -11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.498 8.405 -12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.246 7.355 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.054 8.929 -10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.144 10.448 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.623 11.090 -10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.899 10.898 -11.225 1.00 0.00 H new ATOM 998 N ALA A 67 -2.723 7.092 -7.898 1.00 0.00 N ATOM 999 CA ALA A 67 -2.299 5.814 -7.353 1.00 0.00 C ATOM 1000 C ALA A 67 -3.264 4.721 -7.818 1.00 0.00 C ATOM 1001 O ALA A 67 -4.368 5.015 -8.272 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.218 5.910 -5.828 1.00 0.00 C ATOM 0 H ALA A 67 -3.597 7.451 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.305 5.553 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.900 4.951 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.498 6.680 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.198 6.168 -5.427 1.00 0.00 H new ATOM 1008 N CYS A 68 -2.811 3.483 -7.687 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.620 2.343 -8.088 1.00 0.00 C ATOM 1010 C CYS A 68 -3.200 1.137 -7.247 1.00 0.00 C ATOM 1011 O CYS A 68 -2.015 0.939 -6.984 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.499 2.064 -9.587 1.00 0.00 C ATOM 1013 SG CYS A 68 -2.363 0.658 -9.872 1.00 0.00 S ATOM 0 H CYS A 68 -1.894 3.244 -7.309 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.673 2.560 -7.909 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.481 1.839 -10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.130 2.951 -10.102 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.640 0.462 -8.809 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.196 0.361 -6.846 1.00 0.00 N ATOM 1020 CA LEU A 69 -3.946 -0.822 -6.040 1.00 0.00 C ATOM 1021 C LEU A 69 -3.935 -2.057 -6.943 1.00 0.00 C ATOM 1022 O LEU A 69 -4.971 -2.447 -7.480 1.00 0.00 O ATOM 1023 CB LEU A 69 -4.953 -0.910 -4.890 1.00 0.00 C ATOM 1024 CG LEU A 69 -4.924 -2.202 -4.071 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -5.162 -1.916 -2.587 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -5.920 -3.224 -4.625 1.00 0.00 C ATOM 0 H LEU A 69 -5.178 0.528 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.964 -0.762 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.779 -0.072 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.955 -0.786 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.930 -2.640 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.136 -2.851 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.384 -1.249 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.136 -1.443 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.880 -4.133 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.927 -2.808 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.663 -3.459 -5.658 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.753 -2.638 -7.083 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.593 -3.821 -7.911 1.00 0.00 C ATOM 1040 C VAL A 70 -2.433 -5.049 -7.014 1.00 0.00 C ATOM 1041 O VAL A 70 -2.007 -4.933 -5.866 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.421 -3.629 -8.877 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -1.860 -2.856 -10.123 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -0.248 -2.933 -8.185 1.00 0.00 C ATOM 0 H VAL A 70 -1.896 -2.311 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.480 -3.980 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.084 -4.615 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.009 -2.733 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.648 -3.408 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.236 -1.876 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.571 -2.809 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.567 -1.955 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.089 -3.538 -7.343 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.784 -6.199 -7.571 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.684 -7.449 -6.835 1.00 0.00 C ATOM 1056 C LYS A 71 -2.101 -8.528 -7.749 1.00 0.00 C ATOM 1057 O LYS A 71 -2.668 -8.832 -8.798 1.00 0.00 O ATOM 1058 CB LYS A 71 -4.039 -7.822 -6.229 1.00 0.00 C ATOM 1059 CG LYS A 71 -4.095 -9.313 -5.891 1.00 0.00 C ATOM 1060 CD LYS A 71 -4.842 -10.093 -6.975 1.00 0.00 C ATOM 1061 CE LYS A 71 -6.349 -9.849 -6.886 1.00 0.00 C ATOM 1062 NZ LYS A 71 -7.036 -10.410 -8.071 1.00 0.00 N ATOM 0 H LYS A 71 -3.138 -6.292 -8.523 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.001 -7.342 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.213 -7.234 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.836 -7.574 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.083 -9.705 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.590 -9.453 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.479 -9.794 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.636 -11.158 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.744 -10.306 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.547 -8.779 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.839 -9.801 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.370 -10.458 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.382 -11.366 -7.851 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.974 -9.077 -7.318 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.308 -10.117 -8.083 1.00 0.00 C ATOM 1078 C ASP A 72 -1.038 -11.445 -7.875 1.00 0.00 C ATOM 1079 O ASP A 72 -1.150 -11.927 -6.749 1.00 0.00 O ATOM 1080 CB ASP A 72 1.140 -10.296 -7.624 1.00 0.00 C ATOM 1081 CG ASP A 72 2.195 -9.735 -8.579 1.00 0.00 C ATOM 1082 OD1 ASP A 72 2.383 -10.355 -9.648 1.00 0.00 O ATOM 1083 OD2 ASP A 72 2.792 -8.696 -8.220 1.00 0.00 O ATOM 0 H ASP A 72 -0.506 -8.821 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.320 -9.823 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.259 -9.816 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.331 -11.359 -7.480 1.00 0.00 H new ATOM 1157 N SER A 77 0.470 -11.750 -4.086 1.00 0.00 N ATOM 1158 CA SER A 77 0.801 -10.625 -3.228 1.00 0.00 C ATOM 1159 C SER A 77 0.232 -9.333 -3.816 1.00 0.00 C ATOM 1160 O SER A 77 -0.093 -9.276 -5.001 1.00 0.00 O ATOM 1161 CB SER A 77 2.315 -10.502 -3.040 1.00 0.00 C ATOM 1162 OG SER A 77 2.997 -10.368 -4.284 1.00 0.00 O ATOM 0 HA SER A 77 0.354 -10.798 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.534 -9.639 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.688 -11.381 -2.515 1.00 0.00 H new ATOM 0 HG SER A 77 3.398 -9.476 -4.343 1.00 0.00 H new ATOM 1168 N TYR A 78 0.128 -8.326 -2.961 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.397 -7.038 -3.381 1.00 0.00 C ATOM 1170 C TYR A 78 0.719 -5.994 -3.470 1.00 0.00 C ATOM 1171 O TYR A 78 1.811 -6.201 -2.944 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.391 -6.613 -2.298 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.554 -7.587 -2.107 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.413 -8.675 -1.267 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -3.745 -7.380 -2.771 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -3.509 -9.592 -1.087 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -4.841 -8.297 -2.589 1.00 0.00 C ATOM 1178 CZ TYR A 78 -4.669 -9.358 -1.756 1.00 0.00 C ATOM 1179 OH TYR A 78 -5.703 -10.223 -1.585 1.00 0.00 O ATOM 0 H TYR A 78 0.399 -8.376 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.859 -7.115 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.859 -6.507 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.790 -5.631 -2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.481 -8.838 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.856 -6.530 -3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.411 -10.447 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.779 -8.145 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.659 -10.612 -0.687 1.00 0.00 H new ATOM 1189 N PHE A 79 0.405 -4.895 -4.139 1.00 0.00 N ATOM 1190 CA PHE A 79 1.368 -3.818 -4.303 1.00 0.00 C ATOM 1191 C PHE A 79 0.661 -2.466 -4.424 1.00 0.00 C ATOM 1192 O PHE A 79 -0.300 -2.328 -5.180 1.00 0.00 O ATOM 1193 CB PHE A 79 2.134 -4.097 -5.597 1.00 0.00 C ATOM 1194 CG PHE A 79 3.085 -5.293 -5.511 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.612 -6.553 -5.703 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.404 -5.095 -5.244 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.495 -7.663 -5.622 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.287 -6.204 -5.165 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.813 -7.465 -5.355 1.00 0.00 C ATOM 0 H PHE A 79 -0.502 -4.726 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 79 2.031 -3.776 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.418 -4.272 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.706 -3.209 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.565 -6.710 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.780 -4.094 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.119 -8.664 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.334 -6.047 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.484 -8.309 -5.294 1.00 0.00 H new ATOM 1209 N LEU A 80 1.167 -1.501 -3.669 1.00 0.00 N ATOM 1210 CA LEU A 80 0.597 -0.165 -3.682 1.00 0.00 C ATOM 1211 C LEU A 80 1.672 0.839 -4.105 1.00 0.00 C ATOM 1212 O LEU A 80 2.673 1.010 -3.413 1.00 0.00 O ATOM 1213 CB LEU A 80 -0.046 0.156 -2.332 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.575 0.221 -2.315 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -2.115 0.070 -0.892 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -2.077 1.502 -2.986 1.00 0.00 C ATOM 0 H LEU A 80 1.965 -1.618 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.207 -0.101 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.274 -0.597 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.342 1.114 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.959 -0.618 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.204 0.120 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.802 -0.891 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.725 0.874 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.166 1.523 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.685 2.369 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.738 1.527 -4.022 1.00 0.00 H new ATOM 1228 N ARG A 81 1.426 1.475 -5.242 1.00 0.00 N ATOM 1229 CA ARG A 81 2.360 2.457 -5.766 1.00 0.00 C ATOM 1230 C ARG A 81 1.614 3.721 -6.198 1.00 0.00 C ATOM 1231 O ARG A 81 0.446 3.658 -6.577 1.00 0.00 O ATOM 1232 CB ARG A 81 3.136 1.897 -6.960 1.00 0.00 C ATOM 1233 CG ARG A 81 3.722 0.522 -6.636 1.00 0.00 C ATOM 1234 CD ARG A 81 4.763 0.110 -7.680 1.00 0.00 C ATOM 1235 NE ARG A 81 5.849 -0.660 -7.035 1.00 0.00 N ATOM 1236 CZ ARG A 81 5.806 -1.983 -6.819 1.00 0.00 C ATOM 1237 NH1 ARG A 81 4.732 -2.689 -7.194 1.00 0.00 N ATOM 1238 NH2 ARG A 81 6.839 -2.598 -6.226 1.00 0.00 N ATOM 0 H ARG A 81 0.594 1.329 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 81 3.065 2.701 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.476 1.821 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.938 2.583 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.181 0.542 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.923 -0.219 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.292 -0.491 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.173 0.995 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 81 6.682 -0.153 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.946 -2.221 -7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.700 -3.695 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.657 -2.060 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.807 -3.604 -6.061 1.00 0.00 H new ATOM 1252 N ILE A 82 2.321 4.840 -6.128 1.00 0.00 N ATOM 1253 CA ILE A 82 1.740 6.117 -6.508 1.00 0.00 C ATOM 1254 C ILE A 82 2.565 6.730 -7.642 1.00 0.00 C ATOM 1255 O ILE A 82 3.794 6.725 -7.592 1.00 0.00 O ATOM 1256 CB ILE A 82 1.602 7.027 -5.285 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.482 6.541 -4.363 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.405 8.484 -5.707 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.783 6.892 -2.904 1.00 0.00 C ATOM 0 H ILE A 82 3.290 4.889 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 82 0.728 5.978 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 82 2.530 6.978 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.463 6.994 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.365 5.462 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.310 9.110 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.264 8.813 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.501 8.569 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.028 6.536 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.716 6.417 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.876 7.973 -2.802 1.00 0.00 H new ATOM 1271 N PHE A 83 1.855 7.243 -8.635 1.00 0.00 N ATOM 1272 CA PHE A 83 2.505 7.858 -9.780 1.00 0.00 C ATOM 1273 C PHE A 83 2.136 9.340 -9.889 1.00 0.00 C ATOM 1274 O PHE A 83 1.003 9.723 -9.604 1.00 0.00 O ATOM 1275 CB PHE A 83 2.004 7.127 -11.026 1.00 0.00 C ATOM 1276 CG PHE A 83 1.103 5.928 -10.724 1.00 0.00 C ATOM 1277 CD1 PHE A 83 1.538 4.943 -9.894 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.133 5.848 -11.286 1.00 0.00 C ATOM 1279 CE1 PHE A 83 0.701 3.830 -9.613 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.970 4.736 -11.005 1.00 0.00 C ATOM 1281 CZ PHE A 83 -0.535 3.751 -10.175 1.00 0.00 C ATOM 0 H PHE A 83 0.836 7.246 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 83 3.588 7.787 -9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.456 7.831 -11.652 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.863 6.787 -11.605 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.520 5.007 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.478 6.630 -11.946 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.046 3.047 -8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.952 4.673 -11.450 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.172 2.905 -9.962 1.00 0.00 H new ATOM 1291 N ASP A 84 3.114 10.132 -10.303 1.00 0.00 N ATOM 1292 CA ASP A 84 2.906 11.562 -10.453 1.00 0.00 C ATOM 1293 C ASP A 84 2.073 11.822 -11.711 1.00 0.00 C ATOM 1294 O ASP A 84 1.997 10.972 -12.595 1.00 0.00 O ATOM 1295 CB ASP A 84 4.238 12.299 -10.607 1.00 0.00 C ATOM 1296 CG ASP A 84 4.191 13.794 -10.288 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.312 14.471 -10.864 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.034 14.228 -9.473 1.00 0.00 O ATOM 0 H ASP A 84 4.053 9.810 -10.539 1.00 0.00 H new ATOM 0 HA ASP A 84 2.395 11.924 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.974 11.827 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.590 12.172 -11.631 1.00 0.00 H new ATOM 1303 N ILE A 85 1.471 13.001 -11.748 1.00 0.00 N ATOM 1304 CA ILE A 85 0.647 13.384 -12.881 1.00 0.00 C ATOM 1305 C ILE A 85 1.405 14.401 -13.737 1.00 0.00 C ATOM 1306 O ILE A 85 0.975 14.733 -14.841 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.721 13.878 -12.408 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.591 14.307 -13.591 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.572 14.995 -11.372 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -3.058 14.429 -13.178 1.00 0.00 C ATOM 0 H ILE A 85 1.537 13.704 -11.012 1.00 0.00 H new ATOM 0 HA ILE A 85 0.446 12.520 -13.514 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.232 13.049 -11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.238 15.263 -13.978 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.496 13.581 -14.399 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.559 15.329 -11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.019 14.621 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.032 15.832 -11.815 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.654 14.735 -14.038 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.415 13.466 -12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.153 15.173 -12.387 1.00 0.00 H new ATOM 1322 N LYS A 86 2.519 14.869 -13.195 1.00 0.00 N ATOM 1323 CA LYS A 86 3.342 15.842 -13.896 1.00 0.00 C ATOM 1324 C LYS A 86 4.660 15.184 -14.309 1.00 0.00 C ATOM 1325 O LYS A 86 5.168 15.437 -15.401 1.00 0.00 O ATOM 1326 CB LYS A 86 3.522 17.101 -13.045 1.00 0.00 C ATOM 1327 CG LYS A 86 2.615 18.230 -13.539 1.00 0.00 C ATOM 1328 CD LYS A 86 3.227 18.935 -14.750 1.00 0.00 C ATOM 1329 CE LYS A 86 2.435 18.628 -16.022 1.00 0.00 C ATOM 1330 NZ LYS A 86 1.812 19.859 -16.556 1.00 0.00 N ATOM 0 H LYS A 86 2.872 14.593 -12.279 1.00 0.00 H new ATOM 0 HA LYS A 86 2.850 16.171 -14.811 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.294 16.876 -12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.563 17.423 -13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.638 17.826 -13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.455 18.950 -12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.243 20.011 -14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.262 18.616 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.095 18.193 -16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.665 17.887 -15.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.279 19.632 -17.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.166 20.258 -15.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.553 20.554 -16.780 1.00 0.00 H new ATOM 1344 N ASP A 87 5.178 14.356 -13.415 1.00 0.00 N ATOM 1345 CA ASP A 87 6.428 13.661 -13.674 1.00 0.00 C ATOM 1346 C ASP A 87 6.126 12.256 -14.198 1.00 0.00 C ATOM 1347 O ASP A 87 7.014 11.576 -14.710 1.00 0.00 O ATOM 1348 CB ASP A 87 7.254 13.521 -12.394 1.00 0.00 C ATOM 1349 CG ASP A 87 8.394 14.531 -12.247 1.00 0.00 C ATOM 1350 OD1 ASP A 87 8.335 15.560 -12.953 1.00 0.00 O ATOM 1351 OD2 ASP A 87 9.298 14.251 -11.431 1.00 0.00 O ATOM 0 H ASP A 87 4.755 14.150 -12.510 1.00 0.00 H new ATOM 0 HA ASP A 87 6.991 14.240 -14.406 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.588 13.620 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.673 12.515 -12.358 1.00 0.00 H new ATOM 1356 N GLY A 88 4.869 11.862 -14.052 1.00 0.00 N ATOM 1357 CA GLY A 88 4.440 10.550 -14.505 1.00 0.00 C ATOM 1358 C GLY A 88 5.441 9.470 -14.089 1.00 0.00 C ATOM 1359 O GLY A 88 5.628 8.484 -14.800 1.00 0.00 O ATOM 0 H GLY A 88 4.135 12.428 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.459 10.321 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.333 10.553 -15.590 1.00 0.00 H new ATOM 1363 N LYS A 89 6.059 9.695 -12.939 1.00 0.00 N ATOM 1364 CA LYS A 89 7.037 8.753 -12.419 1.00 0.00 C ATOM 1365 C LYS A 89 6.575 8.248 -11.051 1.00 0.00 C ATOM 1366 O LYS A 89 5.583 8.733 -10.508 1.00 0.00 O ATOM 1367 CB LYS A 89 8.431 9.384 -12.403 1.00 0.00 C ATOM 1368 CG LYS A 89 9.117 9.232 -13.763 1.00 0.00 C ATOM 1369 CD LYS A 89 10.144 8.098 -13.735 1.00 0.00 C ATOM 1370 CE LYS A 89 9.958 7.161 -14.929 1.00 0.00 C ATOM 1371 NZ LYS A 89 10.133 7.899 -16.200 1.00 0.00 N ATOM 0 H LYS A 89 5.902 10.515 -12.353 1.00 0.00 H new ATOM 0 HA LYS A 89 7.113 7.883 -13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.353 10.441 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.039 8.913 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.370 9.032 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.609 10.167 -14.033 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.151 8.514 -13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.044 7.535 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.678 6.345 -14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.965 6.713 -14.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.325 7.226 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.266 8.432 -16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.932 8.559 -16.111 1.00 0.00 H new ATOM 1385 N LEU A 90 7.316 7.280 -10.533 1.00 0.00 N ATOM 1386 CA LEU A 90 6.995 6.703 -9.238 1.00 0.00 C ATOM 1387 C LEU A 90 7.237 7.746 -8.145 1.00 0.00 C ATOM 1388 O LEU A 90 8.297 8.369 -8.101 1.00 0.00 O ATOM 1389 CB LEU A 90 7.767 5.400 -9.026 1.00 0.00 C ATOM 1390 CG LEU A 90 6.938 4.115 -9.056 1.00 0.00 C ATOM 1391 CD1 LEU A 90 7.839 2.879 -9.086 1.00 0.00 C ATOM 1392 CD2 LEU A 90 5.948 4.074 -7.890 1.00 0.00 C ATOM 0 H LEU A 90 8.138 6.880 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 90 5.940 6.433 -9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.538 5.329 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.278 5.456 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 90 6.354 4.108 -9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.223 1.980 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.468 2.909 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.469 2.866 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.371 3.150 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.494 4.116 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.273 4.927 -7.956 1.00 0.00 H new ATOM 1404 N LEU A 91 6.236 7.905 -7.292 1.00 0.00 N ATOM 1405 CA LEU A 91 6.326 8.863 -6.202 1.00 0.00 C ATOM 1406 C LEU A 91 6.360 8.112 -4.871 1.00 0.00 C ATOM 1407 O LEU A 91 6.892 8.616 -3.882 1.00 0.00 O ATOM 1408 CB LEU A 91 5.198 9.892 -6.300 1.00 0.00 C ATOM 1409 CG LEU A 91 5.279 10.868 -7.476 1.00 0.00 C ATOM 1410 CD1 LEU A 91 4.052 11.780 -7.518 1.00 0.00 C ATOM 1411 CD2 LEU A 91 6.585 11.665 -7.438 1.00 0.00 C ATOM 0 H LEU A 91 5.358 7.387 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 91 7.253 9.433 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.250 9.357 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.178 10.469 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 91 5.281 10.290 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.135 12.463 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.152 11.175 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.993 12.353 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.617 12.351 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.638 12.232 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.431 10.980 -7.494 1.00 0.00 H new ATOM 1423 N TRP A 92 5.786 6.918 -4.886 1.00 0.00 N ATOM 1424 CA TRP A 92 5.744 6.092 -3.691 1.00 0.00 C ATOM 1425 C TRP A 92 5.419 4.659 -4.119 1.00 0.00 C ATOM 1426 O TRP A 92 4.637 4.445 -5.044 1.00 0.00 O ATOM 1427 CB TRP A 92 4.749 6.652 -2.672 1.00 0.00 C ATOM 1428 CG TRP A 92 4.465 5.712 -1.499 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.176 5.558 -0.374 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.355 4.796 -1.380 1.00 0.00 C ATOM 1431 NE1 TRP A 92 4.609 4.614 0.458 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.466 4.137 -0.173 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.293 4.535 -2.264 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.549 3.173 0.261 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.385 3.569 -1.815 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.482 2.896 -0.603 1.00 0.00 C ATOM 0 H TRP A 92 5.346 6.503 -5.707 1.00 0.00 H new ATOM 0 HA TRP A 92 6.710 6.094 -3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.134 7.595 -2.284 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.811 6.876 -3.180 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.080 6.104 -0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.963 4.320 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.187 5.039 -3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.658 2.670 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.550 3.330 -2.456 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.738 2.163 -0.329 1.00 0.00 H new ATOM 1447 N GLU A 93 6.036 3.714 -3.424 1.00 0.00 N ATOM 1448 CA GLU A 93 5.822 2.307 -3.720 1.00 0.00 C ATOM 1449 C GLU A 93 6.063 1.460 -2.469 1.00 0.00 C ATOM 1450 O GLU A 93 7.132 1.528 -1.865 1.00 0.00 O ATOM 1451 CB GLU A 93 6.716 1.849 -4.873 1.00 0.00 C ATOM 1452 CG GLU A 93 8.188 2.143 -4.579 1.00 0.00 C ATOM 1453 CD GLU A 93 8.682 3.338 -5.397 1.00 0.00 C ATOM 1454 OE1 GLU A 93 8.328 3.391 -6.595 1.00 0.00 O ATOM 1455 OE2 GLU A 93 9.402 4.171 -4.806 1.00 0.00 O ATOM 0 H GLU A 93 6.684 3.895 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 93 4.786 2.173 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.582 0.780 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.417 2.354 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.317 2.347 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.791 1.265 -4.810 1.00 0.00 H new ATOM 1462 N GLN A 94 5.050 0.681 -2.118 1.00 0.00 N ATOM 1463 CA GLN A 94 5.139 -0.179 -0.950 1.00 0.00 C ATOM 1464 C GLN A 94 4.748 -1.612 -1.315 1.00 0.00 C ATOM 1465 O GLN A 94 3.760 -1.831 -2.015 1.00 0.00 O ATOM 1466 CB GLN A 94 4.268 0.352 0.190 1.00 0.00 C ATOM 1467 CG GLN A 94 5.049 0.392 1.505 1.00 0.00 C ATOM 1468 CD GLN A 94 5.555 -1.002 1.884 1.00 0.00 C ATOM 1469 OE1 GLN A 94 6.736 -1.301 1.814 1.00 0.00 O ATOM 1470 NE2 GLN A 94 4.599 -1.832 2.288 1.00 0.00 N ATOM 0 H GLN A 94 4.164 0.627 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 94 6.172 -0.181 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.912 1.352 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.388 -0.281 0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.892 1.076 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.411 0.780 2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.630 -1.516 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.834 -2.785 2.564 1.00 0.00 H new ATOM 1479 N GLU A 95 5.544 -2.551 -0.825 1.00 0.00 N ATOM 1480 CA GLU A 95 5.294 -3.959 -1.092 1.00 0.00 C ATOM 1481 C GLU A 95 4.326 -4.531 -0.054 1.00 0.00 C ATOM 1482 O GLU A 95 4.752 -5.057 0.974 1.00 0.00 O ATOM 1483 CB GLU A 95 6.601 -4.752 -1.120 1.00 0.00 C ATOM 1484 CG GLU A 95 7.077 -4.974 -2.557 1.00 0.00 C ATOM 1485 CD GLU A 95 8.605 -5.031 -2.626 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.236 -4.379 -1.767 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.106 -5.724 -3.536 1.00 0.00 O ATOM 0 H GLU A 95 6.362 -2.365 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 95 4.834 -4.047 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.367 -4.218 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.457 -5.714 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.657 -5.903 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.710 -4.169 -3.194 1.00 0.00 H new ATOM 1494 N LEU A 96 3.042 -4.411 -0.358 1.00 0.00 N ATOM 1495 CA LEU A 96 2.011 -4.910 0.535 1.00 0.00 C ATOM 1496 C LEU A 96 2.459 -6.249 1.126 1.00 0.00 C ATOM 1497 O LEU A 96 3.099 -7.049 0.444 1.00 0.00 O ATOM 1498 CB LEU A 96 0.663 -4.976 -0.185 1.00 0.00 C ATOM 1499 CG LEU A 96 -0.079 -3.647 -0.340 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.473 -3.865 -0.935 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -0.135 -2.891 0.988 1.00 0.00 C ATOM 0 H LEU A 96 2.692 -3.975 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 96 1.866 -4.224 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.823 -5.398 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.018 -5.669 0.356 1.00 0.00 H new ATOM 0 HG LEU A 96 0.478 -3.024 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.980 -2.905 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.381 -4.331 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.052 -4.514 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.668 -1.950 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.656 -3.497 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.878 -2.686 1.333 1.00 0.00 H new ATOM 1513 N TYR A 97 2.104 -6.451 2.386 1.00 0.00 N ATOM 1514 CA TYR A 97 2.462 -7.679 3.076 1.00 0.00 C ATOM 1515 C TYR A 97 1.364 -8.733 2.922 1.00 0.00 C ATOM 1516 O TYR A 97 0.226 -8.406 2.594 1.00 0.00 O ATOM 1517 CB TYR A 97 2.594 -7.309 4.555 1.00 0.00 C ATOM 1518 CG TYR A 97 3.181 -5.918 4.798 1.00 0.00 C ATOM 1519 CD1 TYR A 97 4.406 -5.581 4.257 1.00 0.00 C ATOM 1520 CD2 TYR A 97 2.487 -4.999 5.559 1.00 0.00 C ATOM 1521 CE1 TYR A 97 4.960 -4.272 4.487 1.00 0.00 C ATOM 1522 CE2 TYR A 97 3.041 -3.689 5.788 1.00 0.00 C ATOM 1523 CZ TYR A 97 4.249 -3.390 5.241 1.00 0.00 C ATOM 1524 OH TYR A 97 4.772 -2.154 5.457 1.00 0.00 O ATOM 0 H TYR A 97 1.572 -5.786 2.947 1.00 0.00 H new ATOM 0 HA TYR A 97 3.382 -8.096 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.611 -7.364 5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.223 -8.049 5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.949 -6.300 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.529 -5.262 5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.918 -3.996 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.508 -2.961 6.381 1.00 0.00 H new ATOM 0 HH TYR A 97 4.156 -1.630 6.011 1.00 0.00 H new ATOM 1534 N ASN A 98 1.746 -9.979 3.166 1.00 0.00 N ATOM 1535 CA ASN A 98 0.808 -11.083 3.058 1.00 0.00 C ATOM 1536 C ASN A 98 -0.447 -10.763 3.872 1.00 0.00 C ATOM 1537 O ASN A 98 -1.536 -10.636 3.315 1.00 0.00 O ATOM 1538 CB ASN A 98 1.413 -12.375 3.613 1.00 0.00 C ATOM 1539 CG ASN A 98 0.599 -13.594 3.173 1.00 0.00 C ATOM 1540 OD1 ASN A 98 0.991 -14.351 2.300 1.00 0.00 O ATOM 1541 ND2 ASN A 98 -0.551 -13.740 3.824 1.00 0.00 N ATOM 0 H ASN A 98 2.692 -10.247 3.438 1.00 0.00 H new ATOM 0 HA ASN A 98 0.568 -11.219 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.442 -12.476 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.445 -12.328 4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.166 -14.523 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.818 -13.069 4.544 1.00 0.00 H new ATOM 1548 N ASN A 99 -0.253 -10.639 5.177 1.00 0.00 N ATOM 1549 CA ASN A 99 -1.356 -10.335 6.072 1.00 0.00 C ATOM 1550 C ASN A 99 -1.434 -8.821 6.282 1.00 0.00 C ATOM 1551 O ASN A 99 -1.479 -8.349 7.417 1.00 0.00 O ATOM 1552 CB ASN A 99 -1.153 -10.991 7.439 1.00 0.00 C ATOM 1553 CG ASN A 99 0.143 -10.506 8.093 1.00 0.00 C ATOM 1554 OD1 ASN A 99 1.001 -9.908 7.465 1.00 0.00 O ATOM 1555 ND2 ASN A 99 0.237 -10.797 9.388 1.00 0.00 N ATOM 0 H ASN A 99 0.652 -10.744 5.636 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.272 -10.717 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.999 -10.761 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.124 -12.075 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.064 -10.517 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.518 -11.300 9.854 1.00 0.00 H new ATOM 1562 N PHE A 100 -1.449 -8.102 5.170 1.00 0.00 N ATOM 1563 CA PHE A 100 -1.521 -6.652 5.217 1.00 0.00 C ATOM 1564 C PHE A 100 -2.888 -6.187 5.722 1.00 0.00 C ATOM 1565 O PHE A 100 -3.907 -6.812 5.432 1.00 0.00 O ATOM 1566 CB PHE A 100 -1.321 -6.147 3.786 1.00 0.00 C ATOM 1567 CG PHE A 100 -1.500 -4.635 3.630 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -0.557 -3.785 4.119 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -2.599 -4.142 3.000 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -0.723 -2.382 3.974 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -2.764 -2.739 2.855 1.00 0.00 C ATOM 1572 CZ PHE A 100 -1.823 -1.888 3.345 1.00 0.00 C ATOM 0 H PHE A 100 -1.412 -8.497 4.230 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.761 -6.264 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.320 -6.421 3.451 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.027 -6.656 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.317 -4.177 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.346 -4.817 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.025 -1.707 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.638 -2.347 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.949 -0.821 3.235 1.00 0.00 H new ATOM 1582 N VAL A 101 -2.866 -5.094 6.472 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.092 -4.538 7.020 1.00 0.00 C ATOM 1584 C VAL A 101 -4.211 -3.071 6.606 1.00 0.00 C ATOM 1585 O VAL A 101 -3.209 -2.420 6.316 1.00 0.00 O ATOM 1586 CB VAL A 101 -4.123 -4.736 8.537 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -2.886 -4.120 9.195 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -5.406 -4.162 9.139 1.00 0.00 C ATOM 0 H VAL A 101 -2.019 -4.579 6.713 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.961 -5.060 6.619 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.110 -5.808 8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.932 -4.274 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.989 -4.595 8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.855 -3.051 8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.402 -4.316 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.462 -3.095 8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.269 -4.665 8.704 1.00 0.00 H new ATOM 1598 N TYR A 102 -5.447 -2.592 6.591 1.00 0.00 N ATOM 1599 CA TYR A 102 -5.711 -1.213 6.218 1.00 0.00 C ATOM 1600 C TYR A 102 -6.394 -0.456 7.359 1.00 0.00 C ATOM 1601 O TYR A 102 -7.531 -0.760 7.717 1.00 0.00 O ATOM 1602 CB TYR A 102 -6.662 -1.274 5.022 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.353 -0.252 3.926 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.042 0.020 3.587 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.383 0.397 3.278 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -4.751 0.982 2.556 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -7.091 1.359 2.246 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.790 1.604 1.936 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.514 2.513 0.963 1.00 0.00 O ATOM 0 H TYR A 102 -6.276 -3.135 6.831 1.00 0.00 H new ATOM 0 HA TYR A 102 -4.781 -0.694 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.624 -2.275 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.682 -1.117 5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.236 -0.488 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.408 0.184 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.731 1.205 2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.888 1.874 1.730 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.076 2.335 0.180 1.00 0.00 H new ATOM 1619 N ASN A 103 -5.671 0.514 7.900 1.00 0.00 N ATOM 1620 CA ASN A 103 -6.194 1.316 8.993 1.00 0.00 C ATOM 1621 C ASN A 103 -6.858 2.572 8.426 1.00 0.00 C ATOM 1622 O ASN A 103 -6.496 3.037 7.346 1.00 0.00 O ATOM 1623 CB ASN A 103 -5.073 1.758 9.936 1.00 0.00 C ATOM 1624 CG ASN A 103 -4.113 0.603 10.227 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -4.476 -0.562 10.198 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -2.872 0.988 10.510 1.00 0.00 N ATOM 0 H ASN A 103 -4.728 0.762 7.602 1.00 0.00 H new ATOM 0 HA ASN A 103 -6.911 0.708 9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.524 2.588 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.501 2.123 10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.157 0.291 10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.635 1.980 10.517 1.00 0.00 H new ATOM 1633 N SER A 104 -7.818 3.086 9.180 1.00 0.00 N ATOM 1634 CA SER A 104 -8.536 4.279 8.766 1.00 0.00 C ATOM 1635 C SER A 104 -9.398 4.798 9.919 1.00 0.00 C ATOM 1636 O SER A 104 -10.528 4.349 10.105 1.00 0.00 O ATOM 1637 CB SER A 104 -9.405 4.001 7.538 1.00 0.00 C ATOM 1638 OG SER A 104 -10.339 5.051 7.295 1.00 0.00 O ATOM 0 H SER A 104 -8.115 2.698 10.075 1.00 0.00 H new ATOM 0 HA SER A 104 -7.805 5.041 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.767 3.874 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.942 3.063 7.679 1.00 0.00 H new ATOM 0 HG SER A 104 -10.173 5.438 6.410 1.00 0.00 H new ATOM 1644 N PRO A 105 -8.817 5.761 10.684 1.00 0.00 N ATOM 1645 CA PRO A 105 -9.519 6.345 11.814 1.00 0.00 C ATOM 1646 C PRO A 105 -10.598 7.322 11.342 1.00 0.00 C ATOM 1647 O PRO A 105 -11.461 7.722 12.122 1.00 0.00 O ATOM 1648 CB PRO A 105 -8.437 7.012 12.647 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.242 7.178 11.722 1.00 0.00 C ATOM 1650 CD PRO A 105 -7.480 6.317 10.493 1.00 0.00 C ATOM 0 HA PRO A 105 -10.057 5.604 12.405 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.775 7.977 13.026 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.179 6.402 13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.122 8.223 11.438 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.324 6.877 12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.424 6.908 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.731 5.529 10.410 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.514 7.678 10.069 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.473 8.600 9.485 1.00 0.00 C ATOM 1660 C ARG A 106 -11.926 8.097 8.113 1.00 0.00 C ATOM 1661 O ARG A 106 -11.101 7.705 7.289 1.00 0.00 O ATOM 1662 CB ARG A 106 -10.871 9.999 9.335 1.00 0.00 C ATOM 1663 CG ARG A 106 -11.413 10.948 10.405 1.00 0.00 C ATOM 1664 CD ARG A 106 -12.512 11.847 9.834 1.00 0.00 C ATOM 1665 NE ARG A 106 -12.841 12.919 10.800 1.00 0.00 N ATOM 1666 CZ ARG A 106 -13.521 12.724 11.937 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -13.949 11.495 12.260 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -13.774 13.756 12.754 1.00 0.00 N ATOM 0 H ARG A 106 -9.796 7.345 9.425 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.330 8.656 10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.785 9.941 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.100 10.393 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.808 10.371 11.241 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.602 11.562 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.183 12.284 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.402 11.255 9.618 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.530 13.867 10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.757 10.709 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.467 11.347 13.126 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.448 14.691 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.292 13.606 13.620 1.00 0.00 H new ATOM 1682 N GLY A 107 -13.235 8.125 7.911 1.00 0.00 N ATOM 1683 CA GLY A 107 -13.807 7.677 6.653 1.00 0.00 C ATOM 1684 C GLY A 107 -13.400 8.602 5.505 1.00 0.00 C ATOM 1685 O GLY A 107 -14.231 9.331 4.965 1.00 0.00 O ATOM 0 H GLY A 107 -13.916 8.451 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.476 6.661 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.894 7.648 6.733 1.00 0.00 H new ATOM 1689 N TYR A 108 -12.121 8.541 5.163 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.593 9.365 4.089 1.00 0.00 C ATOM 1691 C TYR A 108 -10.068 9.456 4.167 1.00 0.00 C ATOM 1692 O TYR A 108 -9.405 9.711 3.162 1.00 0.00 O ATOM 1693 CB TYR A 108 -12.187 10.759 4.294 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.293 11.897 3.799 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -11.149 12.121 2.444 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.628 12.697 4.706 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -10.306 13.192 1.978 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -9.786 13.768 4.239 1.00 0.00 C ATOM 1699 CZ TYR A 108 -9.667 13.962 2.898 1.00 0.00 C ATOM 1700 OH TYR A 108 -8.871 14.974 2.457 1.00 0.00 O ATOM 0 H TYR A 108 -11.435 7.933 5.611 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.850 8.941 3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.146 10.813 3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.388 10.904 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.668 11.494 1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.739 12.520 5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.184 13.379 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.261 14.403 4.938 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.467 14.723 1.600 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.555 9.244 5.370 1.00 0.00 N ATOM 1711 CA PHE A 109 -8.120 9.300 5.593 1.00 0.00 C ATOM 1712 C PHE A 109 -7.607 7.990 6.196 1.00 0.00 C ATOM 1713 O PHE A 109 -7.861 7.700 7.364 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.865 10.438 6.583 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.620 11.270 6.268 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.384 10.780 6.554 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -6.749 12.500 5.700 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.229 11.552 6.262 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -5.594 13.271 5.408 1.00 0.00 C ATOM 1720 CZ PHE A 109 -4.358 12.781 5.694 1.00 0.00 C ATOM 0 H PHE A 109 -10.108 9.033 6.201 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.603 9.460 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.735 11.095 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.766 10.019 7.584 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.281 9.803 7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.730 12.889 5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.248 11.163 6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -5.697 14.248 4.958 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.479 13.368 5.470 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.896 7.236 5.371 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.345 5.964 5.809 1.00 0.00 C ATOM 1732 C HIS A 110 -4.865 6.138 6.156 1.00 0.00 C ATOM 1733 O HIS A 110 -4.163 6.924 5.522 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.585 4.878 4.758 1.00 0.00 C ATOM 1735 CG HIS A 110 -7.973 4.894 4.164 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -9.130 5.454 4.619 1.00 0.00 N flip ATOM 1737 CD2 HIS A 110 -8.282 4.278 2.964 1.00 0.00 C flip ATOM 1738 CE1 HIS A 110 -10.093 5.197 3.742 1.00 0.00 C flip ATOM 1739 NE2 HIS A 110 -9.569 4.468 2.716 1.00 0.00 N flip ATOM 0 H HIS A 110 -6.689 7.481 4.403 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.857 5.633 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.856 4.996 3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.406 3.903 5.211 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -7.591 3.735 2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -11.122 5.513 3.827 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.079 4.128 1.900 1.00 0.00 H new ATOM 1747 N THR A 111 -4.435 5.390 7.161 1.00 0.00 N ATOM 1748 CA THR A 111 -3.050 5.451 7.601 1.00 0.00 C ATOM 1749 C THR A 111 -2.447 4.046 7.660 1.00 0.00 C ATOM 1750 O THR A 111 -3.167 3.064 7.832 1.00 0.00 O ATOM 1751 CB THR A 111 -3.013 6.185 8.942 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.089 5.614 9.682 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.392 7.662 8.813 1.00 0.00 C ATOM 0 H THR A 111 -5.020 4.738 7.684 1.00 0.00 H new ATOM 0 HA THR A 111 -2.434 6.005 6.893 1.00 0.00 H new ATOM 0 HB THR A 111 -2.015 6.103 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.136 6.032 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.350 8.136 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.694 8.159 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.403 7.745 8.414 1.00 0.00 H new ATOM 1761 N PHE A 112 -1.131 3.996 7.512 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.423 2.728 7.545 1.00 0.00 C ATOM 1763 C PHE A 112 1.065 2.939 7.835 1.00 0.00 C ATOM 1764 O PHE A 112 1.533 4.074 7.902 1.00 0.00 O ATOM 1765 CB PHE A 112 -0.577 2.093 6.163 1.00 0.00 C ATOM 1766 CG PHE A 112 0.251 2.773 5.070 1.00 0.00 C ATOM 1767 CD1 PHE A 112 -0.125 3.988 4.588 1.00 0.00 C ATOM 1768 CD2 PHE A 112 1.363 2.162 4.580 1.00 0.00 C ATOM 1769 CE1 PHE A 112 0.642 4.619 3.575 1.00 0.00 C ATOM 1770 CE2 PHE A 112 2.131 2.794 3.567 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.755 4.009 3.085 1.00 0.00 C ATOM 0 H PHE A 112 -0.537 4.813 7.369 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.832 2.093 8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.289 1.043 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -1.629 2.119 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.008 4.473 4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.662 1.197 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.342 5.584 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.015 2.310 3.179 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.339 4.489 2.314 1.00 0.00 H new ATOM 1781 N ALA A 113 1.767 1.827 7.998 1.00 0.00 N ATOM 1782 CA ALA A 113 3.192 1.876 8.279 1.00 0.00 C ATOM 1783 C ALA A 113 3.959 2.050 6.967 1.00 0.00 C ATOM 1784 O ALA A 113 3.662 1.384 5.976 1.00 0.00 O ATOM 1785 CB ALA A 113 3.607 0.611 9.034 1.00 0.00 C ATOM 0 H ALA A 113 1.376 0.887 7.941 1.00 0.00 H new ATOM 0 HA ALA A 113 3.429 2.728 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.676 0.647 9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.054 0.549 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.387 -0.265 8.424 1.00 0.00 H new ATOM 1791 N GLY A 114 4.931 2.950 7.002 1.00 0.00 N ATOM 1792 CA GLY A 114 5.744 3.221 5.829 1.00 0.00 C ATOM 1793 C GLY A 114 7.023 2.382 5.842 1.00 0.00 C ATOM 1794 O GLY A 114 7.199 1.525 6.706 1.00 0.00 O ATOM 0 H GLY A 114 5.174 3.501 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.171 3.004 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.000 4.280 5.796 1.00 0.00 H new ATOM 1798 N ASP A 115 7.886 2.660 4.875 1.00 0.00 N ATOM 1799 CA ASP A 115 9.144 1.943 4.765 1.00 0.00 C ATOM 1800 C ASP A 115 9.712 1.699 6.165 1.00 0.00 C ATOM 1801 O ASP A 115 9.662 0.580 6.673 1.00 0.00 O ATOM 1802 CB ASP A 115 10.172 2.751 3.973 1.00 0.00 C ATOM 1803 CG ASP A 115 10.611 2.120 2.649 1.00 0.00 C ATOM 1804 OD1 ASP A 115 10.389 0.899 2.502 1.00 0.00 O ATOM 1805 OD2 ASP A 115 11.159 2.873 1.816 1.00 0.00 O ATOM 0 H ASP A 115 7.738 3.373 4.160 1.00 0.00 H new ATOM 0 HA ASP A 115 8.951 1.002 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.756 3.737 3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.053 2.900 4.597 1.00 0.00 H new ATOM 1810 N THR A 116 10.237 2.766 6.749 1.00 0.00 N ATOM 1811 CA THR A 116 10.813 2.683 8.080 1.00 0.00 C ATOM 1812 C THR A 116 10.102 3.647 9.031 1.00 0.00 C ATOM 1813 O THR A 116 10.344 3.628 10.237 1.00 0.00 O ATOM 1814 CB THR A 116 12.316 2.944 7.962 1.00 0.00 C ATOM 1815 OG1 THR A 116 12.748 3.105 9.311 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.626 4.293 7.309 1.00 0.00 C ATOM 0 H THR A 116 10.275 3.693 6.325 1.00 0.00 H new ATOM 0 HA THR A 116 10.673 1.691 8.510 1.00 0.00 H new ATOM 0 HB THR A 116 12.779 2.145 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.001 2.922 9.918 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.706 4.429 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.201 4.318 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.192 5.095 7.906 1.00 0.00 H new ATOM 1824 N CYS A 117 9.237 4.468 8.452 1.00 0.00 N ATOM 1825 CA CYS A 117 8.488 5.438 9.233 1.00 0.00 C ATOM 1826 C CYS A 117 7.007 5.303 8.874 1.00 0.00 C ATOM 1827 O CYS A 117 6.666 4.761 7.824 1.00 0.00 O ATOM 1828 CB CYS A 117 9.002 6.862 9.009 1.00 0.00 C ATOM 1829 SG CYS A 117 8.670 7.383 7.286 1.00 0.00 S ATOM 0 H CYS A 117 9.038 4.481 7.452 1.00 0.00 H new ATOM 0 HA CYS A 117 8.623 5.236 10.296 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.516 7.546 9.705 1.00 0.00 H new ATOM 0 HB3 CYS A 117 10.072 6.907 9.212 1.00 0.00 H new ATOM 0 HG CYS A 117 9.108 8.594 7.107 1.00 0.00 H new ATOM 1835 N GLN A 118 6.167 5.804 9.767 1.00 0.00 N ATOM 1836 CA GLN A 118 4.731 5.746 9.558 1.00 0.00 C ATOM 1837 C GLN A 118 4.296 6.817 8.554 1.00 0.00 C ATOM 1838 O GLN A 118 4.769 7.951 8.608 1.00 0.00 O ATOM 1839 CB GLN A 118 3.977 5.898 10.881 1.00 0.00 C ATOM 1840 CG GLN A 118 2.465 5.803 10.665 1.00 0.00 C ATOM 1841 CD GLN A 118 1.718 6.762 11.593 1.00 0.00 C ATOM 1842 OE1 GLN A 118 2.071 7.920 11.749 1.00 0.00 O ATOM 1843 NE2 GLN A 118 0.666 6.218 12.201 1.00 0.00 N ATOM 0 H GLN A 118 6.454 6.252 10.637 1.00 0.00 H new ATOM 0 HA GLN A 118 4.484 4.767 9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.298 5.123 11.577 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.223 6.857 11.336 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.227 6.036 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.131 4.781 10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.424 5.242 12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.102 6.777 12.841 1.00 0.00 H new ATOM 1852 N VAL A 119 3.402 6.418 7.662 1.00 0.00 N ATOM 1853 CA VAL A 119 2.899 7.328 6.647 1.00 0.00 C ATOM 1854 C VAL A 119 1.379 7.182 6.545 1.00 0.00 C ATOM 1855 O VAL A 119 0.827 6.139 6.894 1.00 0.00 O ATOM 1856 CB VAL A 119 3.615 7.077 5.318 1.00 0.00 C ATOM 1857 CG1 VAL A 119 5.070 7.545 5.383 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.528 5.604 4.919 1.00 0.00 C ATOM 0 H VAL A 119 3.013 5.476 7.621 1.00 0.00 H new ATOM 0 HA VAL A 119 3.108 8.362 6.923 1.00 0.00 H new ATOM 0 HB VAL A 119 3.110 7.661 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.556 7.355 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.099 8.613 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.592 7.001 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.045 5.453 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.995 4.990 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.482 5.317 4.812 1.00 0.00 H new ATOM 1868 N ALA A 120 0.746 8.243 6.065 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.699 8.245 5.913 1.00 0.00 C ATOM 1870 C ALA A 120 -1.054 8.564 4.460 1.00 0.00 C ATOM 1871 O ALA A 120 -0.237 9.117 3.724 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.314 9.245 6.895 1.00 0.00 C ATOM 0 H ALA A 120 1.207 9.106 5.777 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.111 7.263 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.398 9.247 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.057 8.959 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.926 10.243 6.689 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.273 8.201 4.088 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.745 8.441 2.736 1.00 0.00 C ATOM 1880 C LEU A 121 -4.052 9.234 2.790 1.00 0.00 C ATOM 1881 O LEU A 121 -4.923 8.946 3.609 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.857 7.123 1.965 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.799 6.075 2.562 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -4.803 5.583 1.518 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -3.011 4.923 3.189 1.00 0.00 C ATOM 0 H LEU A 121 -2.948 7.742 4.700 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.026 9.047 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.189 7.345 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.862 6.685 1.886 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.371 6.545 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.461 4.839 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.397 6.424 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.267 5.135 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.704 4.192 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.396 4.446 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.371 5.309 3.982 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.148 10.217 1.905 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.334 11.053 1.842 1.00 0.00 C ATOM 1899 C ASN A 122 -5.805 11.154 0.390 1.00 0.00 C ATOM 1900 O ASN A 122 -5.086 11.668 -0.465 1.00 0.00 O ATOM 1901 CB ASN A 122 -5.037 12.468 2.342 1.00 0.00 C ATOM 1902 CG ASN A 122 -6.288 13.346 2.280 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -6.364 14.104 1.189 1.00 0.00 O flip ATOM 1904 ND2 ASN A 122 -7.130 13.336 3.163 1.00 0.00 N flip ATOM 0 H ASN A 122 -3.424 10.452 1.227 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.099 10.601 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.669 12.425 3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.246 12.912 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.011 12.730 3.975 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.953 13.934 3.089 1.00 0.00 H new ATOM 1911 N PHE A 123 -7.010 10.656 0.157 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.586 10.684 -1.177 1.00 0.00 C ATOM 1913 C PHE A 123 -8.116 12.078 -1.517 1.00 0.00 C ATOM 1914 O PHE A 123 -8.345 12.893 -0.625 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.751 9.693 -1.183 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.377 8.290 -0.700 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -7.927 7.363 -1.588 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.494 7.970 0.616 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.579 6.061 -1.141 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.148 6.667 1.064 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.696 5.740 0.176 1.00 0.00 C ATOM 0 H PHE A 123 -7.604 10.231 0.869 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.827 10.424 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.549 10.083 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.150 9.623 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.834 7.617 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.850 8.707 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.221 5.325 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.244 6.412 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.430 4.750 0.517 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.296 12.309 -2.809 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.796 13.591 -3.278 1.00 0.00 C ATOM 1933 C ALA A 124 -10.321 13.612 -3.163 1.00 0.00 C ATOM 1934 O ALA A 124 -10.925 14.677 -3.042 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.315 13.835 -4.710 1.00 0.00 C ATOM 0 H ALA A 124 -8.105 11.630 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.408 14.402 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.690 14.796 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.225 13.841 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.686 13.042 -5.359 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.902 12.421 -3.206 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.346 12.289 -3.111 1.00 0.00 C ATOM 1943 C ASN A 125 -12.694 11.394 -1.919 1.00 0.00 C ATOM 1944 O ASN A 125 -11.935 10.488 -1.578 1.00 0.00 O ATOM 1945 CB ASN A 125 -12.926 11.645 -4.370 1.00 0.00 C ATOM 1946 CG ASN A 125 -14.029 12.516 -4.974 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -14.218 13.664 -4.609 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -14.744 11.908 -5.916 1.00 0.00 N ATOM 0 H ASN A 125 -10.399 11.539 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.768 13.287 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.134 11.495 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.327 10.661 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -15.504 12.406 -6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -14.533 10.944 -6.174 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.839 11.681 -1.319 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.296 10.913 -0.173 1.00 0.00 C ATOM 1957 C GLU A 126 -14.817 9.547 -0.622 1.00 0.00 C ATOM 1958 O GLU A 126 -14.434 8.519 -0.066 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.366 11.678 0.609 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.576 11.067 1.995 1.00 0.00 C ATOM 1961 CD GLU A 126 -15.742 12.158 3.056 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -15.064 13.198 2.911 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -16.543 11.926 3.987 1.00 0.00 O ATOM 0 H GLU A 126 -14.464 12.435 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.449 10.755 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.071 12.722 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.305 11.664 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.459 10.428 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.726 10.433 2.250 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.680 9.580 -1.627 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.257 8.357 -2.158 1.00 0.00 C ATOM 1972 C GLU A 127 -15.151 7.389 -2.582 1.00 0.00 C ATOM 1973 O GLU A 127 -15.161 6.220 -2.197 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.201 8.656 -3.323 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.661 8.466 -2.909 1.00 0.00 C ATOM 1976 CD GLU A 127 -19.601 8.674 -4.099 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -19.427 9.702 -4.787 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -20.471 7.798 -4.295 1.00 0.00 O ATOM 0 H GLU A 127 -15.993 10.435 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 127 -16.844 7.884 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -17.047 9.679 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -16.969 7.999 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -18.800 7.464 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -18.912 9.170 -2.115 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.223 7.910 -3.371 1.00 0.00 N ATOM 1986 CA GLU A 128 -13.112 7.108 -3.853 1.00 0.00 C ATOM 1987 C GLU A 128 -12.360 6.481 -2.676 1.00 0.00 C ATOM 1988 O GLU A 128 -11.792 5.398 -2.805 1.00 0.00 O ATOM 1989 CB GLU A 128 -12.170 7.942 -4.724 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.454 7.715 -6.210 1.00 0.00 C ATOM 1991 CD GLU A 128 -11.183 7.296 -6.953 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -10.357 8.196 -7.218 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -11.067 6.084 -7.238 1.00 0.00 O ATOM 0 H GLU A 128 -14.218 8.879 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.511 6.305 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.288 8.999 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.136 7.678 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.217 6.945 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.853 8.628 -6.651 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.382 7.190 -1.557 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.710 6.717 -0.359 1.00 0.00 C ATOM 2002 C ALA A 129 -12.572 5.649 0.317 1.00 0.00 C ATOM 2003 O ALA A 129 -12.054 4.653 0.819 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.419 7.901 0.565 1.00 0.00 C ATOM 0 H ALA A 129 -12.855 8.088 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.754 6.258 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.915 7.546 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.779 8.617 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.355 8.385 0.842 1.00 0.00 H new ATOM 2010 N LYS A 130 -13.876 5.892 0.307 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.815 4.963 0.911 1.00 0.00 C ATOM 2012 C LYS A 130 -14.778 3.638 0.148 1.00 0.00 C ATOM 2013 O LYS A 130 -14.777 2.567 0.754 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.209 5.588 0.994 1.00 0.00 C ATOM 2015 CG LYS A 130 -17.196 4.638 1.675 1.00 0.00 C ATOM 2016 CD LYS A 130 -18.417 4.388 0.787 1.00 0.00 C ATOM 2017 CE LYS A 130 -19.486 3.590 1.537 1.00 0.00 C ATOM 2018 NZ LYS A 130 -19.337 2.143 1.267 1.00 0.00 N ATOM 0 H LYS A 130 -14.303 6.719 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.528 4.746 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.159 6.525 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.564 5.829 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.702 3.692 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.515 5.061 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.833 5.340 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.115 3.846 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.403 3.777 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.478 3.923 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.070 1.616 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -19.439 1.968 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -18.397 1.826 1.581 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.750 3.752 -1.172 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.715 2.577 -2.025 1.00 0.00 C ATOM 2034 C LYS A 131 -13.338 1.918 -1.920 1.00 0.00 C ATOM 2035 O LYS A 131 -13.206 0.711 -2.123 1.00 0.00 O ATOM 2036 CB LYS A 131 -15.114 2.941 -3.457 1.00 0.00 C ATOM 2037 CG LYS A 131 -14.108 3.913 -4.076 1.00 0.00 C ATOM 2038 CD LYS A 131 -12.919 3.162 -4.678 1.00 0.00 C ATOM 2039 CE LYS A 131 -12.290 3.958 -5.823 1.00 0.00 C ATOM 2040 NZ LYS A 131 -12.547 3.291 -7.120 1.00 0.00 N ATOM 0 H LYS A 131 -14.751 4.641 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.448 1.843 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -15.172 2.037 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -16.107 3.390 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.598 4.505 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.755 4.610 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.172 2.977 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -13.247 2.189 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.699 4.968 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.216 4.052 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.611 4.007 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -11.769 2.634 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.441 2.763 -7.068 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.346 2.738 -1.604 1.00 0.00 N ATOM 2055 CA PHE A 132 -10.985 2.249 -1.469 1.00 0.00 C ATOM 2056 C PHE A 132 -10.883 1.209 -0.352 1.00 0.00 C ATOM 2057 O PHE A 132 -10.453 0.081 -0.587 1.00 0.00 O ATOM 2058 CB PHE A 132 -10.111 3.453 -1.110 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.772 3.494 -1.849 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.705 4.006 -3.106 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.650 3.016 -1.248 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.463 4.043 -3.792 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.406 3.054 -1.933 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.339 3.567 -3.192 1.00 0.00 C ATOM 0 H PHE A 132 -12.458 3.738 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.666 1.776 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.663 4.367 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.922 3.444 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.597 4.385 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.704 2.607 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.410 4.449 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.514 2.676 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.394 3.596 -3.714 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.287 1.625 0.840 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.246 0.744 1.993 1.00 0.00 C ATOM 2076 C ARG A 133 -12.200 -0.436 1.793 1.00 0.00 C ATOM 2077 O ARG A 133 -11.881 -1.567 2.161 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.632 1.490 3.272 1.00 0.00 C ATOM 2079 CG ARG A 133 -10.804 1.004 4.462 1.00 0.00 C ATOM 2080 CD ARG A 133 -11.413 1.477 5.784 1.00 0.00 C ATOM 2081 NE ARG A 133 -10.974 0.594 6.888 1.00 0.00 N ATOM 2082 CZ ARG A 133 -11.590 -0.545 7.228 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -12.676 -0.949 6.553 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -11.122 -1.283 8.245 1.00 0.00 N ATOM 0 H ARG A 133 -11.644 2.561 1.031 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.224 0.378 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.481 2.560 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.692 1.342 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.750 -0.085 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -9.783 1.375 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.110 2.504 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.501 1.473 5.715 1.00 0.00 H new ATOM 0 HE ARG A 133 -10.151 0.871 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.034 -0.388 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.144 -1.817 6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -10.296 -0.977 8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -11.592 -2.151 8.504 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.351 -0.134 1.211 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.352 -1.156 0.958 1.00 0.00 C ATOM 2100 C LYS A 134 -13.806 -2.157 -0.061 1.00 0.00 C ATOM 2101 O LYS A 134 -14.053 -3.357 0.049 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.677 -0.515 0.540 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.850 -1.127 1.310 1.00 0.00 C ATOM 2104 CD LYS A 134 -18.078 -1.277 0.410 1.00 0.00 C ATOM 2105 CE LYS A 134 -18.628 -2.703 0.467 1.00 0.00 C ATOM 2106 NZ LYS A 134 -19.126 -3.013 1.825 1.00 0.00 N ATOM 0 H LYS A 134 -13.613 0.804 0.907 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.567 -1.713 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.639 0.559 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.829 -0.652 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.562 -2.102 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -17.096 -0.498 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -18.850 -0.573 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.813 -1.026 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -19.435 -2.817 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -17.848 -3.411 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -19.632 -3.922 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -18.323 -3.074 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -19.774 -2.262 2.137 1.00 0.00 H new ATOM 2120 N ALA A 135 -13.074 -1.628 -1.030 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.491 -2.461 -2.069 1.00 0.00 C ATOM 2122 C ALA A 135 -11.437 -3.379 -1.447 1.00 0.00 C ATOM 2123 O ALA A 135 -11.476 -4.594 -1.637 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.914 -1.573 -3.173 1.00 0.00 C ATOM 0 H ALA A 135 -12.871 -0.632 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 135 -13.252 -3.094 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.477 -2.198 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.709 -0.962 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.144 -0.925 -2.754 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.518 -2.762 -0.717 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.455 -3.509 -0.067 1.00 0.00 C ATOM 2132 C VAL A 136 -10.067 -4.586 0.830 1.00 0.00 C ATOM 2133 O VAL A 136 -9.653 -5.743 0.788 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.534 -2.552 0.693 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.923 -3.236 1.918 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.443 -1.996 -0.225 1.00 0.00 C ATOM 0 H VAL A 136 -10.488 -1.754 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.837 -4.016 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.137 -1.714 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.273 -2.534 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.719 -3.561 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.341 -4.101 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.802 -1.319 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.845 -2.818 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.904 -1.455 -1.051 1.00 0.00 H new ATOM 2146 N THR A 137 -11.046 -4.168 1.619 1.00 0.00 N ATOM 2147 CA THR A 137 -11.720 -5.083 2.524 1.00 0.00 C ATOM 2148 C THR A 137 -12.374 -6.222 1.742 1.00 0.00 C ATOM 2149 O THR A 137 -12.193 -7.392 2.073 1.00 0.00 O ATOM 2150 CB THR A 137 -12.711 -4.273 3.364 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.475 -3.553 2.399 1.00 0.00 O ATOM 2152 CG2 THR A 137 -12.027 -3.181 4.187 1.00 0.00 C ATOM 0 H THR A 137 -11.388 -3.208 1.650 1.00 0.00 H new ATOM 0 HA THR A 137 -11.013 -5.562 3.202 1.00 0.00 H new ATOM 0 HB THR A 137 -13.254 -4.943 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 137 -13.158 -2.627 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.775 -2.637 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.305 -3.635 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.512 -2.491 3.519 1.00 0.00 H new ATOM 2160 N ASP A 138 -13.124 -5.839 0.718 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.807 -6.813 -0.115 1.00 0.00 C ATOM 2162 C ASP A 138 -12.771 -7.685 -0.828 1.00 0.00 C ATOM 2163 O ASP A 138 -13.023 -8.856 -1.103 1.00 0.00 O ATOM 2164 CB ASP A 138 -14.660 -6.125 -1.182 1.00 0.00 C ATOM 2165 CG ASP A 138 -16.168 -6.169 -0.932 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -16.606 -5.485 0.018 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -16.850 -6.885 -1.698 1.00 0.00 O ATOM 0 H ASP A 138 -13.273 -4.867 0.447 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.450 -7.414 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -14.350 -5.083 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -14.453 -6.590 -2.146 1.00 0.00 H new ATOM 2172 N LEU A 139 -11.626 -7.078 -1.106 1.00 0.00 N ATOM 2173 CA LEU A 139 -10.550 -7.784 -1.781 1.00 0.00 C ATOM 2174 C LEU A 139 -9.844 -8.704 -0.783 1.00 0.00 C ATOM 2175 O LEU A 139 -9.634 -9.884 -1.062 1.00 0.00 O ATOM 2176 CB LEU A 139 -9.612 -6.794 -2.474 1.00 0.00 C ATOM 2177 CG LEU A 139 -8.161 -7.250 -2.643 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -8.088 -8.751 -2.930 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -7.449 -6.425 -3.717 1.00 0.00 C ATOM 0 H LEU A 139 -11.420 -6.106 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.949 -8.418 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -10.018 -6.569 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.616 -5.863 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 139 -7.636 -7.076 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.046 -9.049 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.533 -9.302 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -8.633 -8.973 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.420 -6.769 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -7.966 -6.544 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.454 -5.373 -3.431 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.498 -8.130 0.360 1.00 0.00 N ATOM 2192 CA LEU A 140 -8.820 -8.884 1.400 1.00 0.00 C ATOM 2193 C LEU A 140 -9.747 -9.990 1.908 1.00 0.00 C ATOM 2194 O LEU A 140 -9.293 -11.088 2.229 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.320 -7.947 2.502 1.00 0.00 C ATOM 2196 CG LEU A 140 -6.807 -7.728 2.560 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -6.356 -6.727 1.496 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.367 -7.308 3.965 1.00 0.00 C ATOM 0 H LEU A 140 -9.675 -7.152 0.588 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.931 -9.371 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -8.803 -6.978 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.647 -8.342 3.464 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.317 -8.676 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.277 -6.590 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.616 -7.105 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -6.853 -5.771 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.287 -7.159 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -6.865 -6.378 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.635 -8.087 4.678 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.030 -9.663 1.968 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.024 -10.616 2.431 1.00 0.00 C ATOM 2212 C GLY A 141 -12.109 -11.821 1.493 1.00 0.00 C ATOM 2213 O GLY A 141 -12.142 -12.963 1.946 1.00 0.00 O ATOM 0 H GLY A 141 -11.404 -8.751 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.771 -10.951 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.998 -10.130 2.493 1.00 0.00 H new ATOM 2217 N ARG A 142 -12.143 -11.524 0.202 1.00 0.00 N ATOM 2218 CA ARG A 142 -12.223 -12.568 -0.805 1.00 0.00 C ATOM 2219 C ARG A 142 -10.972 -13.448 -0.757 1.00 0.00 C ATOM 2220 O ARG A 142 -11.061 -14.668 -0.888 1.00 0.00 O ATOM 2221 CB ARG A 142 -12.367 -11.973 -2.207 1.00 0.00 C ATOM 2222 CG ARG A 142 -13.565 -12.579 -2.940 1.00 0.00 C ATOM 2223 CD ARG A 142 -13.484 -12.304 -4.443 1.00 0.00 C ATOM 2224 NE ARG A 142 -12.370 -13.073 -5.039 1.00 0.00 N ATOM 2225 CZ ARG A 142 -11.899 -12.877 -6.278 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -12.446 -11.936 -7.061 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -10.884 -13.622 -6.736 1.00 0.00 N ATOM 0 H ARG A 142 -12.117 -10.574 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 142 -13.105 -13.171 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -12.488 -10.892 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -11.457 -12.155 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.597 -13.654 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -14.489 -12.163 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -14.424 -12.579 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.336 -11.238 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 142 -11.933 -13.798 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -13.220 -11.370 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -12.088 -11.786 -8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -10.469 -14.339 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -10.526 -13.472 -7.679 1.00 0.00 H new