USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 43:sc= 0.101 USER MOD Set 1.2: A 147 HIS : no HE2:sc= 0.235 K(o=0.34,f=-1.2) USER MOD Set 2.1: A 5 SER OG : rot 105:sc= -0.181 USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.00518 USER MOD Set 2.3: A 116 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000611) USER MOD Set 3.2: A 35 SER OG : rot 22:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.35 (180deg=0.963) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.274 (180deg=0.266) USER MOD Single : A 32 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.34) USER MOD Single : A 33 TYR OH : rot 120:sc= -0.812 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -45:sc= 0.0867 USER MOD Single : A 61 GLN : amide:sc= -0.964 K(o=-0.96,f=0.083) USER MOD Single : A 64 MET CE :methyl 146:sc=-0.000658 (180deg=-2.44) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -45:sc= 0.287 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 81 SER OG : rot -132:sc= 1.25 USER MOD Single : A 91 SER OG : rot -17:sc= 0.61 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 98 TYR OH : rot 121:sc= -0.232 USER MOD Single : A 110 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 112 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 119 SER OG : rot -103:sc= 0.0141 USER MOD Single : A 129 THR OG1 : rot -26:sc= 0.108 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 30:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.14) USER MOD Single : A 158 SER OG : rot 154:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.352 -2.905 -12.699 1.00 0.00 N ATOM 2 CA MET A 1 -10.121 -2.459 -11.496 1.00 0.00 C ATOM 3 C MET A 1 -10.117 -3.370 -10.215 1.00 0.00 C ATOM 4 O MET A 1 -10.926 -3.119 -9.318 1.00 0.00 O ATOM 5 CB MET A 1 -11.558 -2.171 -12.008 1.00 0.00 C ATOM 6 CG MET A 1 -11.696 -0.916 -12.904 1.00 0.00 C ATOM 7 SD MET A 1 -13.248 -0.949 -13.824 1.00 0.00 S ATOM 8 CE MET A 1 -12.758 -1.961 -15.236 1.00 0.00 C ATOM 0 H1 MET A 1 -9.121 -2.080 -13.289 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.473 -3.371 -12.396 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.927 -3.574 -13.250 1.00 0.00 H new ATOM 0 HA MET A 1 -9.606 -1.587 -11.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.908 -3.038 -12.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.218 -2.059 -11.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.653 -0.018 -12.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.858 -0.866 -13.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.607 -2.081 -15.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.940 -1.474 -15.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.431 -2.940 -14.886 1.00 0.00 H new ATOM 20 N GLU A 2 -9.207 -4.353 -10.067 1.00 0.00 N ATOM 21 CA GLU A 2 -9.018 -5.084 -8.771 1.00 0.00 C ATOM 22 C GLU A 2 -8.256 -4.227 -7.681 1.00 0.00 C ATOM 23 O GLU A 2 -7.975 -3.039 -7.887 1.00 0.00 O ATOM 24 CB GLU A 2 -8.444 -6.497 -9.114 1.00 0.00 C ATOM 25 CG GLU A 2 -6.919 -6.535 -9.386 1.00 0.00 C ATOM 26 CD GLU A 2 -6.261 -7.807 -9.875 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.738 -8.397 -10.863 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.200 -8.167 -9.321 1.00 0.00 O ATOM 0 H GLU A 2 -8.589 -4.667 -10.815 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.964 -5.248 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.668 -7.174 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.964 -6.881 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.703 -5.758 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.419 -6.249 -8.461 1.00 0.00 H new ATOM 35 N LEU A 3 -7.971 -4.803 -6.506 1.00 0.00 N ATOM 36 CA LEU A 3 -7.331 -4.071 -5.373 1.00 0.00 C ATOM 37 C LEU A 3 -6.097 -4.855 -4.811 1.00 0.00 C ATOM 38 O LEU A 3 -6.193 -6.053 -4.536 1.00 0.00 O ATOM 39 CB LEU A 3 -8.433 -3.801 -4.297 1.00 0.00 C ATOM 40 CG LEU A 3 -9.014 -2.367 -4.276 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.275 -2.325 -3.407 1.00 0.00 C ATOM 42 CD2 LEU A 3 -8.025 -1.355 -3.672 1.00 0.00 C ATOM 0 H LEU A 3 -8.171 -5.782 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.928 -3.116 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.252 -4.502 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.016 -4.019 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.228 -2.103 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.677 -1.312 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.021 -3.008 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.026 -2.625 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.473 -0.361 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.791 -1.643 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.110 -1.343 -4.264 1.00 0.00 H new ATOM 54 N VAL A 4 -4.946 -4.181 -4.617 1.00 0.00 N ATOM 55 CA VAL A 4 -3.656 -4.854 -4.243 1.00 0.00 C ATOM 56 C VAL A 4 -2.861 -4.060 -3.136 1.00 0.00 C ATOM 57 O VAL A 4 -2.595 -2.873 -3.315 1.00 0.00 O ATOM 58 CB VAL A 4 -2.842 -5.142 -5.557 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.349 -3.904 -6.351 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.644 -6.073 -5.304 1.00 0.00 C ATOM 0 H VAL A 4 -4.869 -3.168 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.859 -5.812 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.588 -5.627 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.802 -4.233 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.206 -3.303 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.693 -3.305 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.112 -6.244 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.970 -5.611 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.000 -7.025 -4.910 1.00 0.00 H new ATOM 70 N SER A 5 -2.450 -4.665 -1.999 1.00 0.00 N ATOM 71 CA SER A 5 -1.824 -3.893 -0.869 1.00 0.00 C ATOM 72 C SER A 5 -0.262 -3.942 -0.769 1.00 0.00 C ATOM 73 O SER A 5 0.347 -5.015 -0.823 1.00 0.00 O ATOM 74 CB SER A 5 -2.496 -4.257 0.468 1.00 0.00 C ATOM 75 OG SER A 5 -2.155 -5.554 0.944 1.00 0.00 O ATOM 0 H SER A 5 -2.532 -5.667 -1.828 1.00 0.00 H new ATOM 0 HA SER A 5 -2.018 -2.848 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.215 -3.518 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.578 -4.196 0.350 1.00 0.00 H new ATOM 0 HG SER A 5 -1.515 -5.474 1.682 1.00 0.00 H new ATOM 81 N VAL A 6 0.374 -2.767 -0.595 1.00 0.00 N ATOM 82 CA VAL A 6 1.809 -2.520 -0.947 1.00 0.00 C ATOM 83 C VAL A 6 2.544 -1.843 0.276 1.00 0.00 C ATOM 84 O VAL A 6 2.556 -0.620 0.437 1.00 0.00 O ATOM 85 CB VAL A 6 1.970 -1.806 -2.368 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.723 -1.764 -3.295 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.544 -0.375 -2.449 1.00 0.00 C ATOM 0 H VAL A 6 -0.088 -1.947 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 6 2.330 -3.464 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 6 2.719 -2.521 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.976 -1.251 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.401 -2.781 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.085 -1.230 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.579 -0.056 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.908 0.305 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.551 -0.363 -2.031 1.00 0.00 H new ATOM 97 N ALA A 7 3.173 -2.631 1.163 1.00 0.00 N ATOM 98 CA ALA A 7 3.932 -2.108 2.340 1.00 0.00 C ATOM 99 C ALA A 7 5.488 -2.195 2.183 1.00 0.00 C ATOM 100 O ALA A 7 5.999 -3.038 1.435 1.00 0.00 O ATOM 101 CB ALA A 7 3.426 -2.907 3.559 1.00 0.00 C ATOM 0 H ALA A 7 3.177 -3.649 1.096 1.00 0.00 H new ATOM 0 HA ALA A 7 3.749 -1.039 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.945 -2.570 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.354 -2.748 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.620 -3.968 3.405 1.00 0.00 H new ATOM 107 N ALA A 8 6.231 -1.328 2.890 1.00 0.00 N ATOM 108 CA ALA A 8 7.718 -1.418 2.973 1.00 0.00 C ATOM 109 C ALA A 8 8.176 -1.735 4.436 1.00 0.00 C ATOM 110 O ALA A 8 8.002 -0.921 5.350 1.00 0.00 O ATOM 111 CB ALA A 8 8.278 -0.094 2.421 1.00 0.00 C ATOM 0 H ALA A 8 5.835 -0.550 3.418 1.00 0.00 H new ATOM 0 HA ALA A 8 8.109 -2.242 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.367 -0.114 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.956 0.034 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.908 0.736 3.022 1.00 0.00 H new ATOM 117 N LEU A 9 8.734 -2.931 4.661 1.00 0.00 N ATOM 118 CA LEU A 9 9.149 -3.394 6.019 1.00 0.00 C ATOM 119 C LEU A 9 10.521 -2.803 6.505 1.00 0.00 C ATOM 120 O LEU A 9 11.412 -2.480 5.722 1.00 0.00 O ATOM 121 CB LEU A 9 9.183 -4.961 5.981 1.00 0.00 C ATOM 122 CG LEU A 9 7.885 -5.766 6.284 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.517 -5.723 7.777 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.676 -5.339 5.435 1.00 0.00 C ATOM 0 H LEU A 9 8.915 -3.611 3.922 1.00 0.00 H new ATOM 0 HA LEU A 9 8.427 -3.028 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.526 -5.256 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.943 -5.288 6.691 1.00 0.00 H new ATOM 0 HG LEU A 9 8.124 -6.792 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.606 -6.297 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.329 -6.152 8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.356 -4.689 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.811 -5.945 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.455 -4.288 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.905 -5.481 4.379 1.00 0.00 H new ATOM 136 N ALA A 10 10.707 -2.741 7.830 1.00 0.00 N ATOM 137 CA ALA A 10 12.059 -2.708 8.463 1.00 0.00 C ATOM 138 C ALA A 10 12.238 -3.814 9.572 1.00 0.00 C ATOM 139 O ALA A 10 12.701 -3.523 10.678 1.00 0.00 O ATOM 140 CB ALA A 10 12.210 -1.263 8.985 1.00 0.00 C ATOM 0 H ALA A 10 9.939 -2.712 8.501 1.00 0.00 H new ATOM 0 HA ALA A 10 12.853 -2.951 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.181 -1.150 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.136 -0.565 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.420 -1.052 9.706 1.00 0.00 H new ATOM 400 N PRO A 27 16.617 2.732 -2.940 1.00 0.00 N ATOM 401 CA PRO A 27 16.017 2.878 -4.306 1.00 0.00 C ATOM 402 C PRO A 27 15.722 1.583 -5.158 1.00 0.00 C ATOM 403 O PRO A 27 15.165 1.705 -6.252 1.00 0.00 O ATOM 404 CB PRO A 27 17.022 3.850 -4.963 1.00 0.00 C ATOM 405 CG PRO A 27 18.362 3.602 -4.268 1.00 0.00 C ATOM 406 CD PRO A 27 17.984 3.271 -2.828 1.00 0.00 C ATOM 0 HA PRO A 27 14.985 3.223 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.098 3.667 -6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.703 4.885 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.906 2.781 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.005 4.481 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.667 2.542 -2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.015 4.156 -2.193 1.00 0.00 H new ATOM 414 N ALA A 28 16.029 0.371 -4.659 1.00 0.00 N ATOM 415 CA ALA A 28 15.557 -0.914 -5.252 1.00 0.00 C ATOM 416 C ALA A 28 14.109 -1.338 -4.837 1.00 0.00 C ATOM 417 O ALA A 28 13.314 -1.653 -5.728 1.00 0.00 O ATOM 418 CB ALA A 28 16.614 -1.986 -4.940 1.00 0.00 C ATOM 0 H ALA A 28 16.612 0.245 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 28 15.459 -0.781 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.299 -2.941 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.569 -1.694 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.725 -2.084 -3.860 1.00 0.00 H new ATOM 424 N ASP A 29 13.722 -1.246 -3.536 1.00 0.00 N ATOM 425 CA ASP A 29 12.290 -1.097 -3.117 1.00 0.00 C ATOM 426 C ASP A 29 11.532 -0.020 -3.963 1.00 0.00 C ATOM 427 O ASP A 29 10.644 -0.368 -4.743 1.00 0.00 O ATOM 428 CB ASP A 29 12.186 -0.813 -1.586 1.00 0.00 C ATOM 429 CG ASP A 29 10.774 -0.586 -1.015 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.054 0.318 -1.495 1.00 0.00 O ATOM 431 OD2 ASP A 29 10.394 -1.271 -0.053 1.00 0.00 O ATOM 0 H ASP A 29 14.378 -1.272 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 29 11.792 -2.046 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.637 -1.651 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.788 0.068 -1.362 1.00 0.00 H new ATOM 436 N LYS A 30 11.963 1.254 -3.913 1.00 0.00 N ATOM 437 CA LYS A 30 11.303 2.346 -4.690 1.00 0.00 C ATOM 438 C LYS A 30 11.586 2.334 -6.263 1.00 0.00 C ATOM 439 O LYS A 30 11.239 3.292 -6.964 1.00 0.00 O ATOM 440 CB LYS A 30 11.491 3.691 -3.911 1.00 0.00 C ATOM 441 CG LYS A 30 11.021 3.761 -2.417 1.00 0.00 C ATOM 442 CD LYS A 30 9.498 3.805 -2.093 1.00 0.00 C ATOM 443 CE LYS A 30 9.234 3.396 -0.616 1.00 0.00 C ATOM 444 NZ LYS A 30 7.957 3.909 -0.022 1.00 0.00 N ATOM 0 H LYS A 30 12.757 1.562 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 30 10.228 2.171 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.551 3.944 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.963 4.470 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.440 2.896 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.475 4.647 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.113 4.809 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.960 3.134 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.232 2.308 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.065 3.749 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.916 3.654 0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.920 4.944 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.148 3.486 -0.520 1.00 0.00 H new ATOM 458 N LYS A 31 12.058 1.196 -6.837 1.00 0.00 N ATOM 459 CA LYS A 31 11.745 0.770 -8.233 1.00 0.00 C ATOM 460 C LYS A 31 10.589 -0.269 -8.385 1.00 0.00 C ATOM 461 O LYS A 31 9.767 -0.040 -9.264 1.00 0.00 O ATOM 462 CB LYS A 31 12.984 0.244 -9.022 1.00 0.00 C ATOM 463 CG LYS A 31 14.029 1.273 -9.506 1.00 0.00 C ATOM 464 CD LYS A 31 13.508 2.572 -10.178 1.00 0.00 C ATOM 465 CE LYS A 31 12.789 2.469 -11.548 1.00 0.00 C ATOM 466 NZ LYS A 31 11.369 1.982 -11.458 1.00 0.00 N ATOM 0 H LYS A 31 12.669 0.544 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 31 11.400 1.708 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.498 -0.481 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.618 -0.296 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.638 1.560 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.690 0.772 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.821 3.052 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.358 3.243 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.797 3.449 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.353 1.796 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.950 1.956 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.355 1.027 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.819 2.626 -10.855 1.00 0.00 H new ATOM 480 N GLN A 32 10.497 -1.396 -7.644 1.00 0.00 N ATOM 481 CA GLN A 32 9.251 -2.239 -7.616 1.00 0.00 C ATOM 482 C GLN A 32 7.972 -1.478 -7.131 1.00 0.00 C ATOM 483 O GLN A 32 6.978 -1.384 -7.861 1.00 0.00 O ATOM 484 CB GLN A 32 9.552 -3.515 -6.783 1.00 0.00 C ATOM 485 CG GLN A 32 8.511 -4.666 -6.873 1.00 0.00 C ATOM 486 CD GLN A 32 7.159 -4.458 -6.155 1.00 0.00 C ATOM 487 OE1 GLN A 32 7.072 -3.918 -5.060 1.00 0.00 O ATOM 488 NE2 GLN A 32 6.061 -4.885 -6.727 1.00 0.00 N ATOM 0 H GLN A 32 11.254 -1.751 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 32 8.998 -2.517 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.520 -3.906 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.649 -3.224 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.307 -4.855 -7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.971 -5.569 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.105 -5.339 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.162 -4.764 -6.260 1.00 0.00 H new ATOM 497 N TYR A 33 8.050 -0.869 -5.938 1.00 0.00 N ATOM 498 CA TYR A 33 7.104 0.174 -5.453 1.00 0.00 C ATOM 499 C TYR A 33 6.744 1.316 -6.484 1.00 0.00 C ATOM 500 O TYR A 33 5.588 1.728 -6.539 1.00 0.00 O ATOM 501 CB TYR A 33 7.716 0.725 -4.125 1.00 0.00 C ATOM 502 CG TYR A 33 6.785 1.010 -2.943 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.037 2.189 -2.856 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.765 0.108 -1.867 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.254 2.443 -1.729 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.973 0.355 -0.757 1.00 0.00 C ATOM 507 CZ TYR A 33 5.214 1.515 -0.686 1.00 0.00 C ATOM 508 OH TYR A 33 4.411 1.711 0.399 1.00 0.00 O ATOM 0 H TYR A 33 8.783 -1.085 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 33 6.128 -0.284 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.468 0.011 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.240 1.651 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.066 2.905 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.371 -0.785 -1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.680 3.356 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.946 -0.357 0.055 1.00 0.00 H new ATOM 0 HH TYR A 33 3.770 0.973 0.469 1.00 0.00 H new ATOM 518 N ARG A 34 7.694 1.768 -7.341 1.00 0.00 N ATOM 519 CA ARG A 34 7.377 2.620 -8.537 1.00 0.00 C ATOM 520 C ARG A 34 7.577 1.885 -9.923 1.00 0.00 C ATOM 521 O ARG A 34 8.374 2.290 -10.782 1.00 0.00 O ATOM 522 CB ARG A 34 8.131 3.978 -8.375 1.00 0.00 C ATOM 523 CG ARG A 34 7.363 5.222 -8.904 1.00 0.00 C ATOM 524 CD ARG A 34 8.176 6.532 -9.049 1.00 0.00 C ATOM 525 NE ARG A 34 8.967 6.889 -7.831 1.00 0.00 N ATOM 526 CZ ARG A 34 9.694 7.992 -7.671 1.00 0.00 C ATOM 527 NH1 ARG A 34 9.685 9.007 -8.488 1.00 0.00 N ATOM 528 NH2 ARG A 34 10.471 8.061 -6.638 1.00 0.00 N ATOM 0 H ARG A 34 8.687 1.562 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 34 6.308 2.832 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.354 4.129 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.086 3.911 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.942 4.973 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.525 5.414 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.855 6.436 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.493 7.349 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 34 8.947 6.228 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.092 8.989 -9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.271 9.820 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.512 7.285 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.042 8.892 -6.484 1.00 0.00 H new ATOM 542 N SER A 35 6.836 0.779 -10.099 1.00 0.00 N ATOM 543 CA SER A 35 6.650 0.001 -11.370 1.00 0.00 C ATOM 544 C SER A 35 5.380 -0.937 -11.299 1.00 0.00 C ATOM 545 O SER A 35 4.728 -1.126 -12.327 1.00 0.00 O ATOM 546 CB SER A 35 7.900 -0.801 -11.828 1.00 0.00 C ATOM 547 OG SER A 35 8.934 0.062 -12.312 1.00 0.00 O ATOM 0 H SER A 35 6.315 0.367 -9.325 1.00 0.00 H new ATOM 0 HA SER A 35 6.490 0.760 -12.136 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.279 -1.391 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.615 -1.503 -12.612 1.00 0.00 H new ATOM 0 HG SER A 35 8.810 0.961 -11.942 1.00 0.00 H new ATOM 553 N ARG A 36 4.939 -1.449 -10.118 1.00 0.00 N ATOM 554 CA ARG A 36 3.478 -1.485 -9.783 1.00 0.00 C ATOM 555 C ARG A 36 2.831 -0.051 -9.812 1.00 0.00 C ATOM 556 O ARG A 36 2.036 0.212 -10.714 1.00 0.00 O ATOM 557 CB ARG A 36 3.226 -2.272 -8.449 1.00 0.00 C ATOM 558 CG ARG A 36 2.644 -3.709 -8.583 1.00 0.00 C ATOM 559 CD ARG A 36 1.109 -3.807 -8.775 1.00 0.00 C ATOM 560 NE ARG A 36 0.675 -3.721 -10.202 1.00 0.00 N ATOM 561 CZ ARG A 36 0.320 -4.742 -10.978 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.412 -5.997 -10.622 1.00 0.00 N ATOM 563 NH2 ARG A 36 -0.140 -4.476 -12.165 1.00 0.00 N ATOM 0 H ARG A 36 5.550 -1.834 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 36 2.961 -2.042 -10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.171 -2.337 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.545 -1.686 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.128 -4.198 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.915 -4.274 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.759 -4.749 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.629 -3.008 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 36 0.648 -2.791 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.774 -6.240 -9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.122 -6.732 -11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.220 -3.508 -12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.421 -5.236 -12.785 1.00 0.00 H new ATOM 577 N VAL A 37 3.222 0.885 -8.917 1.00 0.00 N ATOM 578 CA VAL A 37 2.701 2.294 -8.928 1.00 0.00 C ATOM 579 C VAL A 37 3.460 3.168 -10.002 1.00 0.00 C ATOM 580 O VAL A 37 4.509 3.756 -9.721 1.00 0.00 O ATOM 581 CB VAL A 37 2.723 2.942 -7.490 1.00 0.00 C ATOM 582 CG1 VAL A 37 1.835 4.204 -7.434 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.287 2.058 -6.290 1.00 0.00 C ATOM 0 H VAL A 37 3.896 0.701 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 37 1.653 2.261 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 37 3.787 3.141 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.870 4.629 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.200 4.938 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.807 3.937 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.353 2.637 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.259 1.726 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.942 1.190 -6.221 1.00 0.00 H new ATOM 593 N ALA A 38 2.962 3.210 -11.251 1.00 0.00 N ATOM 594 CA ALA A 38 3.599 3.964 -12.369 1.00 0.00 C ATOM 595 C ALA A 38 2.780 5.222 -12.825 1.00 0.00 C ATOM 596 O ALA A 38 3.085 6.332 -12.384 1.00 0.00 O ATOM 597 CB ALA A 38 3.942 2.925 -13.463 1.00 0.00 C ATOM 0 H ALA A 38 2.107 2.725 -11.523 1.00 0.00 H new ATOM 0 HA ALA A 38 4.526 4.442 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.413 3.428 -14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.627 2.181 -13.056 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.028 2.433 -13.797 1.00 0.00 H new ATOM 603 N ASP A 39 1.765 5.065 -13.692 1.00 0.00 N ATOM 604 CA ASP A 39 0.851 6.178 -14.102 1.00 0.00 C ATOM 605 C ASP A 39 -0.674 5.787 -13.935 1.00 0.00 C ATOM 606 O ASP A 39 -1.486 5.958 -14.845 1.00 0.00 O ATOM 607 CB ASP A 39 1.317 6.621 -15.524 1.00 0.00 C ATOM 608 CG ASP A 39 0.844 7.986 -16.032 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.485 8.867 -15.222 1.00 0.00 O ATOM 610 OD2 ASP A 39 0.898 8.203 -17.263 1.00 0.00 O ATOM 0 H ASP A 39 1.544 4.173 -14.134 1.00 0.00 H new ATOM 0 HA ASP A 39 0.918 7.047 -13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.407 6.617 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.987 5.865 -16.236 1.00 0.00 H new ATOM 615 N ASP A 40 -1.075 5.293 -12.738 1.00 0.00 N ATOM 616 CA ASP A 40 -2.482 4.850 -12.443 1.00 0.00 C ATOM 617 C ASP A 40 -2.918 5.185 -10.944 1.00 0.00 C ATOM 618 O ASP A 40 -2.052 5.521 -10.121 1.00 0.00 O ATOM 619 CB ASP A 40 -2.595 3.327 -12.779 1.00 0.00 C ATOM 620 CG ASP A 40 -3.815 2.821 -13.543 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.641 3.617 -14.038 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.975 1.588 -13.613 1.00 0.00 O ATOM 0 H ASP A 40 -0.443 5.186 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.181 5.406 -13.068 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.711 3.052 -13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.547 2.779 -11.838 1.00 0.00 H new ATOM 627 N PRO A 41 -4.215 5.126 -10.502 1.00 0.00 N ATOM 628 CA PRO A 41 -4.636 5.585 -9.146 1.00 0.00 C ATOM 629 C PRO A 41 -4.097 4.836 -7.879 1.00 0.00 C ATOM 630 O PRO A 41 -4.044 3.605 -7.800 1.00 0.00 O ATOM 631 CB PRO A 41 -6.174 5.528 -9.236 1.00 0.00 C ATOM 632 CG PRO A 41 -6.511 5.615 -10.726 1.00 0.00 C ATOM 633 CD PRO A 41 -5.364 4.866 -11.389 1.00 0.00 C ATOM 0 HA PRO A 41 -4.194 6.563 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.557 4.604 -8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.628 6.351 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.474 5.155 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.566 6.649 -11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.575 3.800 -11.468 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.180 5.230 -12.400 1.00 0.00 H new ATOM 641 N VAL A 42 -3.761 5.612 -6.838 1.00 0.00 N ATOM 642 CA VAL A 42 -2.967 5.137 -5.663 1.00 0.00 C ATOM 643 C VAL A 42 -3.701 5.425 -4.297 1.00 0.00 C ATOM 644 O VAL A 42 -3.899 6.576 -3.910 1.00 0.00 O ATOM 645 CB VAL A 42 -1.488 5.673 -5.770 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.304 7.206 -5.925 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.593 5.208 -4.601 1.00 0.00 C ATOM 0 H VAL A 42 -4.027 6.595 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.892 4.050 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.176 5.222 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.241 7.440 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.804 7.542 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.738 7.713 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.412 5.609 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.008 5.568 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.550 4.119 -4.586 1.00 0.00 H new ATOM 657 N VAL A 43 -4.059 4.370 -3.546 1.00 0.00 N ATOM 658 CA VAL A 43 -4.798 4.473 -2.245 1.00 0.00 C ATOM 659 C VAL A 43 -3.799 4.652 -1.045 1.00 0.00 C ATOM 660 O VAL A 43 -3.062 3.730 -0.690 1.00 0.00 O ATOM 661 CB VAL A 43 -5.745 3.233 -2.031 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.705 3.403 -0.822 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.581 2.720 -3.238 1.00 0.00 C ATOM 0 H VAL A 43 -3.849 3.408 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.429 5.361 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.994 2.464 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.331 2.516 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.122 3.535 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.336 4.278 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.180 1.863 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.239 3.515 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.911 2.422 -4.044 1.00 0.00 H new ATOM 673 N LEU A 44 -3.791 5.815 -0.384 1.00 0.00 N ATOM 674 CA LEU A 44 -2.863 6.095 0.755 1.00 0.00 C ATOM 675 C LEU A 44 -3.529 6.930 1.896 1.00 0.00 C ATOM 676 O LEU A 44 -4.557 7.587 1.705 1.00 0.00 O ATOM 677 CB LEU A 44 -1.523 6.653 0.196 1.00 0.00 C ATOM 678 CG LEU A 44 -1.493 7.962 -0.643 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.744 9.237 0.183 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.119 8.060 -1.323 1.00 0.00 C ATOM 0 H LEU A 44 -4.414 6.591 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.619 5.166 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.859 6.803 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.081 5.869 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.306 7.905 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.708 10.108 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.725 9.178 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.977 9.329 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.072 8.971 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.662 8.083 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.029 7.195 -1.970 1.00 0.00 H new ATOM 692 N GLY A 45 -2.959 6.921 3.116 1.00 0.00 N ATOM 693 CA GLY A 45 -3.461 7.773 4.230 1.00 0.00 C ATOM 694 C GLY A 45 -2.855 9.185 4.336 1.00 0.00 C ATOM 695 O GLY A 45 -1.715 9.429 3.939 1.00 0.00 O ATOM 0 H GLY A 45 -2.157 6.341 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.541 7.871 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.278 7.251 5.169 1.00 0.00 H new ATOM 699 N ARG A 46 -3.600 10.117 4.949 1.00 0.00 N ATOM 700 CA ARG A 46 -3.162 11.546 5.047 1.00 0.00 C ATOM 701 C ARG A 46 -1.792 11.902 5.773 1.00 0.00 C ATOM 702 O ARG A 46 -1.272 12.991 5.542 1.00 0.00 O ATOM 703 CB ARG A 46 -4.398 12.358 5.556 1.00 0.00 C ATOM 704 CG ARG A 46 -4.263 13.885 5.332 1.00 0.00 C ATOM 705 CD ARG A 46 -5.254 14.790 6.082 1.00 0.00 C ATOM 706 NE ARG A 46 -4.564 16.115 6.168 1.00 0.00 N ATOM 707 CZ ARG A 46 -4.988 17.186 6.798 1.00 0.00 C ATOM 708 NH1 ARG A 46 -6.228 17.347 7.165 1.00 0.00 N ATOM 709 NH2 ARG A 46 -4.113 18.115 7.034 1.00 0.00 N ATOM 0 H ARG A 46 -4.502 9.925 5.385 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.852 11.841 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.293 12.001 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.538 12.165 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.253 14.181 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.366 14.081 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.201 14.870 5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.480 14.395 7.073 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.669 16.195 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.917 16.622 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.509 18.198 7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.146 17.993 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.392 18.967 7.521 1.00 0.00 H new ATOM 723 N THR A 47 -1.165 11.036 6.590 1.00 0.00 N ATOM 724 CA THR A 47 0.208 11.296 7.157 1.00 0.00 C ATOM 725 C THR A 47 1.394 11.257 6.115 1.00 0.00 C ATOM 726 O THR A 47 2.164 12.212 6.041 1.00 0.00 O ATOM 727 CB THR A 47 0.395 10.466 8.466 1.00 0.00 C ATOM 728 OG1 THR A 47 1.614 10.807 9.117 1.00 0.00 O ATOM 729 CG2 THR A 47 0.364 8.943 8.319 1.00 0.00 C ATOM 0 H THR A 47 -1.571 10.147 6.883 1.00 0.00 H new ATOM 0 HA THR A 47 0.265 12.347 7.442 1.00 0.00 H new ATOM 0 HB THR A 47 -0.483 10.740 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.708 10.275 9.935 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.505 8.480 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.598 8.637 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.163 8.626 7.649 1.00 0.00 H new ATOM 737 N THR A 48 1.490 10.227 5.247 1.00 0.00 N ATOM 738 CA THR A 48 2.354 10.257 4.007 1.00 0.00 C ATOM 739 C THR A 48 2.035 11.390 2.959 1.00 0.00 C ATOM 740 O THR A 48 2.948 11.908 2.321 1.00 0.00 O ATOM 741 CB THR A 48 2.456 8.828 3.355 1.00 0.00 C ATOM 742 OG1 THR A 48 3.130 8.885 2.095 1.00 0.00 O ATOM 743 CG2 THR A 48 1.155 8.044 3.098 1.00 0.00 C ATOM 0 H THR A 48 0.983 9.350 5.368 1.00 0.00 H new ATOM 0 HA THR A 48 3.341 10.548 4.367 1.00 0.00 H new ATOM 0 HB THR A 48 2.995 8.288 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.182 7.985 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.394 7.081 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.635 7.883 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.515 8.613 2.424 1.00 0.00 H new ATOM 751 N PHE A 49 0.770 11.815 2.797 1.00 0.00 N ATOM 752 CA PHE A 49 0.376 12.961 1.906 1.00 0.00 C ATOM 753 C PHE A 49 1.127 14.333 2.064 1.00 0.00 C ATOM 754 O PHE A 49 1.327 15.049 1.080 1.00 0.00 O ATOM 755 CB PHE A 49 -1.156 13.137 2.124 1.00 0.00 C ATOM 756 CG PHE A 49 -1.877 14.162 1.226 1.00 0.00 C ATOM 757 CD1 PHE A 49 -1.975 15.498 1.631 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.400 13.788 -0.006 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.519 16.458 0.784 1.00 0.00 C ATOM 760 CE2 PHE A 49 -2.977 14.741 -0.849 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.015 16.077 -0.463 1.00 0.00 C ATOM 0 H PHE A 49 -0.022 11.384 3.274 1.00 0.00 H new ATOM 0 HA PHE A 49 0.673 12.689 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.632 12.167 1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.320 13.422 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.625 15.787 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.360 12.754 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.557 17.493 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.393 14.441 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.429 16.820 -1.129 1.00 0.00 H new ATOM 771 N GLU A 50 1.488 14.735 3.294 1.00 0.00 N ATOM 772 CA GLU A 50 2.330 15.945 3.522 1.00 0.00 C ATOM 773 C GLU A 50 3.906 15.691 3.467 1.00 0.00 C ATOM 774 O GLU A 50 4.664 16.659 3.562 1.00 0.00 O ATOM 775 CB GLU A 50 1.626 16.731 4.701 1.00 0.00 C ATOM 776 CG GLU A 50 0.287 17.462 4.275 1.00 0.00 C ATOM 777 CD GLU A 50 -0.927 17.699 5.210 1.00 0.00 C ATOM 778 OE1 GLU A 50 -0.775 18.074 6.388 1.00 0.00 O ATOM 779 OE2 GLU A 50 -2.085 17.611 4.732 1.00 0.00 O ATOM 0 H GLU A 50 1.217 14.249 4.149 1.00 0.00 H new ATOM 0 HA GLU A 50 2.364 16.650 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.406 16.034 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.322 17.470 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.584 18.446 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.097 16.910 3.418 1.00 0.00 H new ATOM 786 N SER A 51 4.390 14.460 3.132 1.00 0.00 N ATOM 787 CA SER A 51 5.541 14.243 2.185 1.00 0.00 C ATOM 788 C SER A 51 5.172 14.322 0.651 1.00 0.00 C ATOM 789 O SER A 51 5.899 14.978 -0.102 1.00 0.00 O ATOM 790 CB SER A 51 6.197 12.856 2.397 1.00 0.00 C ATOM 791 OG SER A 51 6.908 12.715 3.621 1.00 0.00 O ATOM 0 H SER A 51 4.002 13.593 3.503 1.00 0.00 H new ATOM 0 HA SER A 51 6.214 15.066 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.421 12.092 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.881 12.663 1.571 1.00 0.00 H new ATOM 0 HG SER A 51 7.288 11.813 3.676 1.00 0.00 H new ATOM 797 N MET A 52 4.091 13.655 0.163 1.00 0.00 N ATOM 798 CA MET A 52 3.682 13.648 -1.288 1.00 0.00 C ATOM 799 C MET A 52 3.025 15.000 -1.792 1.00 0.00 C ATOM 800 O MET A 52 1.870 15.089 -2.225 1.00 0.00 O ATOM 801 CB MET A 52 2.774 12.420 -1.614 1.00 0.00 C ATOM 802 CG MET A 52 3.213 10.996 -1.199 1.00 0.00 C ATOM 803 SD MET A 52 4.760 10.536 -2.007 1.00 0.00 S ATOM 804 CE MET A 52 5.029 8.928 -1.238 1.00 0.00 C ATOM 0 H MET A 52 3.472 13.104 0.757 1.00 0.00 H new ATOM 0 HA MET A 52 4.613 13.557 -1.848 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.803 12.605 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.620 12.409 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.336 10.950 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.434 10.280 -1.462 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.951 8.491 -1.622 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.108 9.050 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.191 8.270 -1.469 1.00 0.00 H new ATOM 814 N ARG A 53 3.837 16.064 -1.733 1.00 0.00 N ATOM 815 CA ARG A 53 3.519 17.423 -2.260 1.00 0.00 C ATOM 816 C ARG A 53 4.311 17.847 -3.547 1.00 0.00 C ATOM 817 O ARG A 53 3.800 18.701 -4.275 1.00 0.00 O ATOM 818 CB ARG A 53 3.732 18.447 -1.102 1.00 0.00 C ATOM 819 CG ARG A 53 2.664 18.479 0.020 1.00 0.00 C ATOM 820 CD ARG A 53 1.275 18.909 -0.478 1.00 0.00 C ATOM 821 NE ARG A 53 0.426 19.251 0.698 1.00 0.00 N ATOM 822 CZ ARG A 53 -0.634 20.047 0.678 1.00 0.00 C ATOM 823 NH1 ARG A 53 -1.129 20.557 -0.416 1.00 0.00 N ATOM 824 NH2 ARG A 53 -1.205 20.334 1.807 1.00 0.00 N ATOM 0 H ARG A 53 4.763 16.015 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 53 2.482 17.404 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.699 18.241 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.793 19.444 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.591 17.489 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.990 19.163 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.362 19.768 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.816 18.106 -1.054 1.00 0.00 H new ATOM 0 HE ARG A 53 0.682 18.838 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.698 20.349 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.948 21.164 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.836 19.950 2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.022 20.944 1.825 1.00 0.00 H new ATOM 838 N ASP A 54 5.513 17.300 -3.810 1.00 0.00 N ATOM 839 CA ASP A 54 6.323 17.578 -5.030 1.00 0.00 C ATOM 840 C ASP A 54 5.932 16.661 -6.260 1.00 0.00 C ATOM 841 O ASP A 54 5.509 17.196 -7.290 1.00 0.00 O ATOM 842 CB ASP A 54 7.828 17.486 -4.607 1.00 0.00 C ATOM 843 CG ASP A 54 8.560 18.822 -4.430 1.00 0.00 C ATOM 844 OD1 ASP A 54 8.066 19.698 -3.686 1.00 0.00 O ATOM 845 OD2 ASP A 54 9.654 18.990 -5.016 1.00 0.00 O ATOM 0 H ASP A 54 5.963 16.640 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 54 6.116 18.579 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.888 16.935 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.360 16.899 -5.356 1.00 0.00 H new ATOM 850 N ASP A 55 6.031 15.312 -6.157 1.00 0.00 N ATOM 851 CA ASP A 55 5.387 14.357 -7.116 1.00 0.00 C ATOM 852 C ASP A 55 4.150 13.603 -6.500 1.00 0.00 C ATOM 853 O ASP A 55 4.071 13.305 -5.300 1.00 0.00 O ATOM 854 CB ASP A 55 6.422 13.428 -7.842 1.00 0.00 C ATOM 855 CG ASP A 55 7.111 12.218 -7.162 1.00 0.00 C ATOM 856 OD1 ASP A 55 6.459 11.465 -6.411 1.00 0.00 O ATOM 857 OD2 ASP A 55 8.301 11.950 -7.474 1.00 0.00 O ATOM 0 H ASP A 55 6.555 14.850 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 55 4.961 14.966 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.916 13.037 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.223 14.078 -8.195 1.00 0.00 H new ATOM 862 N LEU A 56 3.178 13.264 -7.364 1.00 0.00 N ATOM 863 CA LEU A 56 2.243 12.137 -7.097 1.00 0.00 C ATOM 864 C LEU A 56 2.864 10.799 -7.662 1.00 0.00 C ATOM 865 O LEU A 56 3.128 10.740 -8.869 1.00 0.00 O ATOM 866 CB LEU A 56 0.837 12.354 -7.740 1.00 0.00 C ATOM 867 CG LEU A 56 -0.087 13.547 -7.349 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.089 14.114 -5.927 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.016 14.691 -8.372 1.00 0.00 C ATOM 0 H LEU A 56 3.013 13.744 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 56 2.106 12.081 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.993 12.420 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.266 11.444 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.082 13.102 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.608 14.938 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.110 13.331 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.110 14.475 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.640 15.508 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.045 15.049 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.284 14.328 -9.355 1.00 0.00 H new ATOM 881 N PRO A 57 3.027 9.687 -6.884 1.00 0.00 N ATOM 882 CA PRO A 57 3.467 8.374 -7.458 1.00 0.00 C ATOM 883 C PRO A 57 2.733 7.721 -8.687 1.00 0.00 C ATOM 884 O PRO A 57 3.350 6.936 -9.409 1.00 0.00 O ATOM 885 CB PRO A 57 3.432 7.490 -6.199 1.00 0.00 C ATOM 886 CG PRO A 57 3.762 8.427 -5.031 1.00 0.00 C ATOM 887 CD PRO A 57 3.140 9.765 -5.415 1.00 0.00 C ATOM 0 HA PRO A 57 4.420 8.512 -7.969 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.452 7.031 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.157 6.679 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.348 8.053 -4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.839 8.518 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.166 9.904 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.766 10.602 -5.105 1.00 0.00 H new ATOM 895 N GLY A 58 1.451 8.038 -8.900 1.00 0.00 N ATOM 896 CA GLY A 58 0.745 7.802 -10.194 1.00 0.00 C ATOM 897 C GLY A 58 -0.494 8.724 -10.403 1.00 0.00 C ATOM 898 O GLY A 58 -0.635 9.783 -9.779 1.00 0.00 O ATOM 0 H GLY A 58 0.860 8.467 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.446 7.957 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.425 6.761 -10.240 1.00 0.00 H new ATOM 902 N SER A 59 -1.392 8.336 -11.315 1.00 0.00 N ATOM 903 CA SER A 59 -2.387 9.277 -11.929 1.00 0.00 C ATOM 904 C SER A 59 -3.779 9.497 -11.216 1.00 0.00 C ATOM 905 O SER A 59 -4.715 10.007 -11.836 1.00 0.00 O ATOM 906 CB SER A 59 -2.509 8.842 -13.412 1.00 0.00 C ATOM 907 OG SER A 59 -2.962 9.914 -14.242 1.00 0.00 O ATOM 0 H SER A 59 -1.465 7.378 -11.657 1.00 0.00 H new ATOM 0 HA SER A 59 -1.997 10.287 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.541 8.490 -13.769 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.202 8.004 -13.490 1.00 0.00 H new ATOM 0 HG SER A 59 -3.708 10.374 -13.804 1.00 0.00 H new ATOM 913 N ALA A 60 -3.922 9.215 -9.904 1.00 0.00 N ATOM 914 CA ALA A 60 -4.970 9.808 -9.026 1.00 0.00 C ATOM 915 C ALA A 60 -4.692 9.477 -7.525 1.00 0.00 C ATOM 916 O ALA A 60 -4.856 8.330 -7.102 1.00 0.00 O ATOM 917 CB ALA A 60 -6.409 9.390 -9.417 1.00 0.00 C ATOM 0 H ALA A 60 -3.310 8.563 -9.413 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.911 10.887 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.121 9.857 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.617 9.712 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.503 8.306 -9.352 1.00 0.00 H new ATOM 923 N GLN A 61 -4.299 10.466 -6.692 1.00 0.00 N ATOM 924 CA GLN A 61 -4.003 10.210 -5.250 1.00 0.00 C ATOM 925 C GLN A 61 -5.302 10.106 -4.373 1.00 0.00 C ATOM 926 O GLN A 61 -5.971 11.100 -4.071 1.00 0.00 O ATOM 927 CB GLN A 61 -2.980 11.278 -4.778 1.00 0.00 C ATOM 928 CG GLN A 61 -2.340 10.979 -3.395 1.00 0.00 C ATOM 929 CD GLN A 61 -1.078 11.791 -3.116 1.00 0.00 C ATOM 930 OE1 GLN A 61 -1.122 12.908 -2.633 1.00 0.00 O ATOM 931 NE2 GLN A 61 0.076 11.270 -3.421 1.00 0.00 N ATOM 0 H GLN A 61 -4.178 11.437 -6.980 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.549 9.227 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.188 11.360 -5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.477 12.247 -4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.072 11.182 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.099 9.918 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.122 10.335 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.933 11.797 -3.255 1.00 0.00 H new ATOM 940 N ILE A 62 -5.653 8.866 -3.994 1.00 0.00 N ATOM 941 CA ILE A 62 -6.884 8.531 -3.230 1.00 0.00 C ATOM 942 C ILE A 62 -6.536 8.637 -1.696 1.00 0.00 C ATOM 943 O ILE A 62 -6.038 7.689 -1.084 1.00 0.00 O ATOM 944 CB ILE A 62 -7.477 7.147 -3.704 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.817 7.087 -5.228 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.728 6.736 -2.887 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.103 5.682 -5.792 1.00 0.00 C ATOM 0 H ILE A 62 -5.084 8.047 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.694 9.235 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.672 6.436 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.687 7.717 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.986 7.520 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.100 5.778 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.462 6.647 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.503 7.494 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.327 5.756 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.229 5.047 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.956 5.247 -5.271 1.00 0.00 H new ATOM 959 N VAL A 63 -6.777 9.814 -1.085 1.00 0.00 N ATOM 960 CA VAL A 63 -6.265 10.149 0.280 1.00 0.00 C ATOM 961 C VAL A 63 -7.326 9.903 1.416 1.00 0.00 C ATOM 962 O VAL A 63 -8.306 10.636 1.565 1.00 0.00 O ATOM 963 CB VAL A 63 -5.601 11.574 0.297 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.508 12.766 -0.105 1.00 0.00 C ATOM 965 CG2 VAL A 63 -4.953 11.907 1.665 1.00 0.00 C ATOM 0 H VAL A 63 -7.326 10.561 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.469 9.444 0.521 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.849 11.476 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.936 13.692 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.871 12.620 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.355 12.825 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.508 12.901 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.715 11.881 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.179 11.173 1.890 1.00 0.00 H new ATOM 975 N MET A 64 -7.076 8.906 2.283 1.00 0.00 N ATOM 976 CA MET A 64 -7.939 8.590 3.455 1.00 0.00 C ATOM 977 C MET A 64 -7.904 9.694 4.579 1.00 0.00 C ATOM 978 O MET A 64 -6.881 9.927 5.238 1.00 0.00 O ATOM 979 CB MET A 64 -7.554 7.173 3.971 1.00 0.00 C ATOM 980 CG MET A 64 -8.509 6.046 3.539 1.00 0.00 C ATOM 981 SD MET A 64 -10.071 6.158 4.431 1.00 0.00 S ATOM 982 CE MET A 64 -10.986 4.877 3.561 1.00 0.00 C ATOM 0 H MET A 64 -6.268 8.289 2.198 1.00 0.00 H new ATOM 0 HA MET A 64 -8.982 8.587 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.550 6.934 3.619 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.513 7.197 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.692 6.109 2.466 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.046 5.078 3.727 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.662 4.378 4.255 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.563 5.327 2.753 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.288 4.149 3.147 1.00 0.00 H new ATOM 992 N SER A 65 -9.042 10.376 4.770 1.00 0.00 N ATOM 993 CA SER A 65 -9.168 11.571 5.651 1.00 0.00 C ATOM 994 C SER A 65 -10.573 11.587 6.342 1.00 0.00 C ATOM 995 O SER A 65 -11.594 11.734 5.667 1.00 0.00 O ATOM 996 CB SER A 65 -8.932 12.838 4.783 1.00 0.00 C ATOM 997 OG SER A 65 -9.103 14.033 5.553 1.00 0.00 O ATOM 0 H SER A 65 -9.919 10.119 4.316 1.00 0.00 H new ATOM 0 HA SER A 65 -8.425 11.544 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.926 12.813 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.627 12.841 3.943 1.00 0.00 H new ATOM 0 HG SER A 65 -8.947 14.815 4.983 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.096 18.347 -1.833 1.00 0.00 N ATOM 1089 CA PHE A 71 -7.707 18.887 -1.842 1.00 0.00 C ATOM 1090 C PHE A 71 -7.339 19.507 -3.236 1.00 0.00 C ATOM 1091 O PHE A 71 -7.352 18.810 -4.253 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.738 17.731 -1.450 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.771 17.253 0.021 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -7.646 16.237 0.419 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -5.865 17.771 0.951 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -7.611 15.743 1.723 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -5.813 17.262 2.249 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.691 16.254 2.630 1.00 0.00 C ATOM 0 HA PHE A 71 -7.620 19.699 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.956 16.875 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.721 18.049 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.354 15.832 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.200 18.572 0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.297 14.966 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.093 17.650 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.658 15.866 3.637 1.00 0.00 H new ATOM 1108 N SER A 72 -6.985 20.808 -3.277 1.00 0.00 N ATOM 1109 CA SER A 72 -6.505 21.477 -4.525 1.00 0.00 C ATOM 1110 C SER A 72 -5.097 20.975 -5.013 1.00 0.00 C ATOM 1111 O SER A 72 -4.054 21.444 -4.543 1.00 0.00 O ATOM 1112 CB SER A 72 -6.536 23.007 -4.265 1.00 0.00 C ATOM 1113 OG SER A 72 -6.100 23.733 -5.415 1.00 0.00 O ATOM 0 H SER A 72 -7.019 21.425 -2.465 1.00 0.00 H new ATOM 0 HA SER A 72 -7.167 21.216 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.548 23.313 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.897 23.248 -3.415 1.00 0.00 H new ATOM 0 HG SER A 72 -6.130 24.694 -5.226 1.00 0.00 H new ATOM 1119 N VAL A 73 -5.098 20.023 -5.956 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.860 19.513 -6.639 1.00 0.00 C ATOM 1121 C VAL A 73 -4.229 19.377 -8.172 1.00 0.00 C ATOM 1122 O VAL A 73 -4.898 20.271 -8.709 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.241 18.242 -5.913 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -1.749 18.036 -6.278 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.336 18.153 -4.367 1.00 0.00 C ATOM 0 H VAL A 73 -5.952 19.571 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.018 20.202 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.896 17.462 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.366 17.157 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.654 17.893 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.176 18.913 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.869 17.229 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.823 19.005 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.383 18.162 -4.066 1.00 0.00 H new ATOM 1135 N ASP A 74 -3.862 18.283 -8.867 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.324 18.019 -10.263 1.00 0.00 C ATOM 1137 C ASP A 74 -5.558 17.038 -10.251 1.00 0.00 C ATOM 1138 O ASP A 74 -6.704 17.494 -10.288 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.085 17.589 -11.105 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.033 18.687 -11.296 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.331 19.005 -10.311 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -1.923 19.240 -12.409 1.00 0.00 O ATOM 0 H ASP A 74 -3.246 17.561 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.719 18.906 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.614 16.732 -10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.426 17.256 -12.085 1.00 0.00 H new ATOM 1147 N THR A 75 -5.359 15.710 -10.125 1.00 0.00 N ATOM 1148 CA THR A 75 -6.474 14.698 -10.002 1.00 0.00 C ATOM 1149 C THR A 75 -6.533 13.914 -8.624 1.00 0.00 C ATOM 1150 O THR A 75 -6.797 12.709 -8.557 1.00 0.00 O ATOM 1151 CB THR A 75 -6.525 13.842 -11.312 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.624 12.941 -11.293 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.289 12.979 -11.598 1.00 0.00 C ATOM 0 H THR A 75 -4.429 15.291 -10.104 1.00 0.00 H new ATOM 0 HA THR A 75 -7.425 15.226 -9.932 1.00 0.00 H new ATOM 0 HB THR A 75 -6.601 14.603 -12.089 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.673 12.503 -10.418 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.436 12.431 -12.529 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.411 13.619 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.141 12.273 -10.781 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.400 14.630 -7.490 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.489 14.040 -6.126 1.00 0.00 C ATOM 1163 C ALA A 76 -7.947 14.011 -5.521 1.00 0.00 C ATOM 1164 O ALA A 76 -8.682 15.003 -5.555 1.00 0.00 O ATOM 1165 CB ALA A 76 -5.508 14.883 -5.284 1.00 0.00 C ATOM 0 H ALA A 76 -6.227 15.635 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.228 12.982 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.505 14.520 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.505 14.798 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.820 15.927 -5.299 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.380 12.858 -4.975 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.742 12.683 -4.375 1.00 0.00 C ATOM 1173 C HIS A 77 -9.639 12.071 -2.925 1.00 0.00 C ATOM 1174 O HIS A 77 -8.844 11.156 -2.717 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.559 11.742 -5.311 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.073 12.310 -6.643 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.429 12.480 -6.910 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.333 12.456 -7.843 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.403 12.680 -8.269 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.194 12.713 -8.909 1.00 0.00 N ATOM 0 H HIS A 77 -7.806 12.016 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.239 13.649 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.938 10.875 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.420 11.379 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.259 12.379 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.321 12.809 -8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.982 12.879 -9.893 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.432 12.510 -1.922 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.374 11.913 -0.536 1.00 0.00 C ATOM 1191 C ARG A 78 -11.258 10.622 -0.334 1.00 0.00 C ATOM 1192 O ARG A 78 -12.130 10.330 -1.161 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.509 13.075 0.512 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.727 13.188 1.476 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.101 13.619 0.918 1.00 0.00 C ATOM 1196 NE ARG A 78 -13.734 12.587 0.060 1.00 0.00 N ATOM 1197 CZ ARG A 78 -14.682 11.734 0.430 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -15.379 11.842 1.523 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -14.900 10.710 -0.326 1.00 0.00 N ATOM 0 H ARG A 78 -11.114 13.261 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.398 11.461 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.617 13.037 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.466 14.009 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.858 12.216 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.457 13.894 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.767 13.850 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.980 14.537 0.342 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.410 12.527 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.212 12.621 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.093 11.148 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.352 10.578 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.620 10.034 -0.073 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.072 9.874 0.768 1.00 0.00 N ATOM 1214 CA ALA A 79 -11.944 8.728 1.159 1.00 0.00 C ATOM 1215 C ALA A 79 -12.137 8.579 2.711 1.00 0.00 C ATOM 1216 O ALA A 79 -11.314 9.039 3.512 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.340 7.469 0.506 1.00 0.00 C ATOM 0 H ALA A 79 -10.309 10.041 1.424 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.959 8.899 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.945 6.600 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.325 7.593 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.323 7.323 0.869 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.226 7.920 3.136 1.00 0.00 N ATOM 1224 CA ALA A 80 -13.511 7.629 4.575 1.00 0.00 C ATOM 1225 C ALA A 80 -13.829 6.142 4.919 1.00 0.00 C ATOM 1226 O ALA A 80 -13.359 5.666 5.953 1.00 0.00 O ATOM 1227 CB ALA A 80 -14.673 8.538 5.019 1.00 0.00 C ATOM 0 H ALA A 80 -13.943 7.568 2.501 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.589 7.832 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.904 8.348 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.386 9.582 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -15.552 8.328 4.410 1.00 0.00 H new ATOM 1233 N SER A 81 -14.616 5.423 4.096 1.00 0.00 N ATOM 1234 CA SER A 81 -14.865 3.961 4.256 1.00 0.00 C ATOM 1235 C SER A 81 -14.262 3.105 3.081 1.00 0.00 C ATOM 1236 O SER A 81 -13.549 3.602 2.199 1.00 0.00 O ATOM 1237 CB SER A 81 -16.408 3.807 4.459 1.00 0.00 C ATOM 1238 OG SER A 81 -16.833 2.532 4.976 1.00 0.00 O ATOM 0 H SER A 81 -15.102 5.832 3.298 1.00 0.00 H new ATOM 0 HA SER A 81 -14.342 3.557 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.749 4.589 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.903 3.977 3.503 1.00 0.00 H new ATOM 0 HG SER A 81 -17.578 2.193 4.438 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.579 1.806 3.073 1.00 0.00 N ATOM 1245 CA VAL A 82 -14.282 0.885 1.920 1.00 0.00 C ATOM 1246 C VAL A 82 -15.036 1.334 0.600 1.00 0.00 C ATOM 1247 O VAL A 82 -14.387 1.609 -0.410 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.527 -0.603 2.386 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.376 -1.670 1.269 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.611 -1.097 3.541 1.00 0.00 C ATOM 0 H VAL A 82 -15.047 1.344 3.852 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.233 0.945 1.631 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.562 -0.526 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.563 -2.660 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -15.094 -1.469 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.365 -1.631 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.859 -2.130 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.568 -1.039 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.762 -0.469 4.419 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.377 1.470 0.636 1.00 0.00 N ATOM 1261 CA GLU A 83 -17.204 2.078 -0.455 1.00 0.00 C ATOM 1262 C GLU A 83 -16.767 3.454 -1.105 1.00 0.00 C ATOM 1263 O GLU A 83 -16.674 3.555 -2.334 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.674 2.054 0.053 1.00 0.00 C ATOM 1265 CG GLU A 83 -19.099 2.938 1.272 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.354 2.122 2.527 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -18.376 1.585 3.105 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -20.532 2.008 2.927 1.00 0.00 O ATOM 0 H GLU A 83 -16.935 1.159 1.431 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.043 1.463 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.311 2.333 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.912 1.021 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.318 3.672 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.001 3.494 1.016 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.436 4.492 -0.306 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.891 5.805 -0.806 1.00 0.00 C ATOM 1277 C GLU A 84 -14.578 5.799 -1.682 1.00 0.00 C ATOM 1278 O GLU A 84 -14.366 6.741 -2.452 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.705 6.786 0.396 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.941 7.658 0.774 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.707 8.811 1.736 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.538 9.127 2.032 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -17.659 9.497 2.125 1.00 0.00 O ATOM 0 H GLU A 84 -16.534 4.458 0.709 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.655 6.126 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.417 6.204 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.873 7.452 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.362 8.065 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.697 7.003 1.208 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.674 4.817 -1.539 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.564 4.578 -2.503 1.00 0.00 C ATOM 1292 C ALA A 85 -12.799 3.482 -3.610 1.00 0.00 C ATOM 1293 O ALA A 85 -12.215 3.599 -4.685 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.279 4.381 -1.688 1.00 0.00 C ATOM 0 H ALA A 85 -13.683 4.162 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.488 5.462 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.443 4.203 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.083 5.275 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.397 3.525 -1.024 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.662 2.464 -3.399 1.00 0.00 N ATOM 1301 CA VAL A 86 -14.092 1.522 -4.483 1.00 0.00 C ATOM 1302 C VAL A 86 -14.881 2.207 -5.649 1.00 0.00 C ATOM 1303 O VAL A 86 -14.473 2.064 -6.810 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.783 0.261 -3.852 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.376 -0.717 -4.894 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.794 -0.579 -3.006 1.00 0.00 C ATOM 0 H VAL A 86 -14.081 2.265 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.200 1.165 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.581 0.687 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.835 -1.561 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -16.129 -0.201 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.582 -1.078 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.314 -1.441 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.974 -0.921 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.397 0.033 -2.196 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.958 2.966 -5.391 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.759 3.646 -6.452 1.00 0.00 C ATOM 1318 C ASP A 87 -15.977 4.675 -7.363 1.00 0.00 C ATOM 1319 O ASP A 87 -16.198 4.722 -8.572 1.00 0.00 O ATOM 1320 CB ASP A 87 -18.044 4.223 -5.793 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.131 3.204 -5.432 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -18.877 2.282 -4.625 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -20.262 3.346 -5.941 1.00 0.00 O ATOM 0 H ASP A 87 -16.307 3.133 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.031 2.894 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.756 4.754 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.476 4.960 -6.470 1.00 0.00 H new ATOM 1328 N ILE A 88 -15.006 5.455 -6.832 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.988 6.182 -7.665 1.00 0.00 C ATOM 1330 C ILE A 88 -12.940 5.289 -8.417 1.00 0.00 C ATOM 1331 O ILE A 88 -12.656 5.606 -9.566 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.269 7.379 -6.926 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.925 7.103 -5.437 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.090 8.682 -7.074 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.815 7.959 -4.813 1.00 0.00 C ATOM 0 H ILE A 88 -14.897 5.604 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.626 6.604 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.307 7.496 -7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.832 7.240 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.639 6.055 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.579 9.495 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.192 8.930 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.079 8.541 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.672 7.668 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.886 7.807 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.097 9.011 -4.860 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.382 4.197 -7.859 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.640 3.178 -8.657 1.00 0.00 C ATOM 1349 C ALA A 89 -12.420 2.523 -9.871 1.00 0.00 C ATOM 1350 O ALA A 89 -11.901 2.479 -10.985 1.00 0.00 O ATOM 1351 CB ALA A 89 -11.103 2.138 -7.656 1.00 0.00 C ATOM 0 H ALA A 89 -12.426 3.990 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.834 3.688 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.550 1.368 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.441 2.628 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.937 1.681 -7.123 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.679 2.087 -9.667 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.609 1.704 -10.765 1.00 0.00 C ATOM 1359 C ALA A 90 -14.984 2.822 -11.810 1.00 0.00 C ATOM 1360 O ALA A 90 -15.101 2.537 -13.004 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.858 1.098 -10.097 1.00 0.00 C ATOM 0 H ALA A 90 -14.087 1.988 -8.737 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.081 0.990 -11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.573 0.800 -10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.570 0.225 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.316 1.839 -9.442 1.00 0.00 H new ATOM 1367 N SER A 91 -15.171 4.087 -11.384 1.00 0.00 N ATOM 1368 CA SER A 91 -15.260 5.255 -12.309 1.00 0.00 C ATOM 1369 C SER A 91 -13.931 5.809 -12.936 1.00 0.00 C ATOM 1370 O SER A 91 -14.009 6.684 -13.798 1.00 0.00 O ATOM 1371 CB SER A 91 -16.069 6.370 -11.598 1.00 0.00 C ATOM 1372 OG SER A 91 -16.257 7.519 -12.438 1.00 0.00 O ATOM 0 H SER A 91 -15.265 4.336 -10.399 1.00 0.00 H new ATOM 0 HA SER A 91 -15.763 4.876 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.041 5.977 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.551 6.668 -10.687 1.00 0.00 H new ATOM 0 HG SER A 91 -15.622 7.487 -13.183 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.740 5.335 -12.521 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.445 5.640 -13.209 1.00 0.00 C ATOM 1380 C LEU A 92 -10.912 4.546 -14.226 1.00 0.00 C ATOM 1381 O LEU A 92 -10.026 4.880 -15.015 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.422 6.009 -12.095 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.600 7.427 -11.453 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.901 7.502 -10.077 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.998 8.523 -12.349 1.00 0.00 C ATOM 0 H LEU A 92 -12.636 4.732 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.609 6.476 -13.889 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.488 5.261 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.418 5.943 -12.513 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.672 7.588 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.039 8.496 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.334 6.758 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.836 7.304 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.137 9.496 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.933 8.336 -12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.497 8.515 -13.318 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.443 3.291 -14.241 1.00 0.00 N ATOM 1398 CA ASP A 93 -11.222 2.278 -15.342 1.00 0.00 C ATOM 1399 C ASP A 93 -9.863 1.468 -15.356 1.00 0.00 C ATOM 1400 O ASP A 93 -9.841 0.282 -15.696 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.692 2.826 -16.733 1.00 0.00 C ATOM 1402 CG ASP A 93 -12.615 1.931 -17.561 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -13.539 1.307 -16.998 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -12.456 1.888 -18.797 1.00 0.00 O ATOM 0 H ASP A 93 -12.040 2.941 -13.492 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.888 1.459 -15.070 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.201 3.775 -16.568 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.805 3.040 -17.329 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.759 2.108 -14.929 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.473 1.511 -14.435 1.00 0.00 C ATOM 1411 C ALA A 94 -7.222 -0.040 -14.256 1.00 0.00 C ATOM 1412 O ALA A 94 -8.139 -0.776 -13.865 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.345 2.203 -13.055 1.00 0.00 C ATOM 0 H ALA A 94 -8.724 3.127 -14.913 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.747 1.672 -15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.435 1.863 -12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.301 3.283 -13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.209 1.951 -12.440 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.979 -0.542 -14.429 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.616 -1.974 -14.149 1.00 0.00 C ATOM 1421 C GLU A 95 -5.944 -2.523 -12.705 1.00 0.00 C ATOM 1422 O GLU A 95 -6.692 -3.500 -12.578 1.00 0.00 O ATOM 1423 CB GLU A 95 -4.119 -2.242 -14.474 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.656 -2.221 -15.955 1.00 0.00 C ATOM 1425 CD GLU A 95 -2.413 -3.058 -16.283 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -1.629 -3.439 -15.380 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -2.228 -3.357 -17.481 1.00 0.00 O ATOM 0 H GLU A 95 -5.195 0.019 -14.764 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.276 -2.529 -14.816 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.527 -1.503 -13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.862 -3.218 -14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.480 -2.571 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.459 -1.187 -16.239 1.00 0.00 H new ATOM 1434 N THR A 96 -5.388 -1.922 -11.643 1.00 0.00 N ATOM 1435 CA THR A 96 -5.513 -2.425 -10.238 1.00 0.00 C ATOM 1436 C THR A 96 -5.136 -1.285 -9.240 1.00 0.00 C ATOM 1437 O THR A 96 -3.998 -0.808 -9.216 1.00 0.00 O ATOM 1438 CB THR A 96 -4.719 -3.756 -10.019 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.915 -4.271 -8.708 1.00 0.00 O ATOM 1440 CG2 THR A 96 -3.204 -3.738 -10.236 1.00 0.00 C ATOM 0 H THR A 96 -4.834 -1.069 -11.719 1.00 0.00 H new ATOM 0 HA THR A 96 -6.551 -2.694 -10.040 1.00 0.00 H new ATOM 0 HB THR A 96 -5.145 -4.374 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.407 -5.103 -8.604 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.797 -4.731 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.987 -3.447 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.747 -3.022 -9.552 1.00 0.00 H new ATOM 1448 N ALA A 97 -6.081 -0.846 -8.396 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.808 0.208 -7.382 1.00 0.00 C ATOM 1450 C ALA A 97 -4.919 -0.280 -6.190 1.00 0.00 C ATOM 1451 O ALA A 97 -5.136 -1.355 -5.624 1.00 0.00 O ATOM 1452 CB ALA A 97 -7.184 0.717 -6.920 1.00 0.00 C ATOM 0 H ALA A 97 -7.039 -1.196 -8.387 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.215 1.009 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.051 1.497 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.727 1.123 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.751 -0.108 -6.488 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.900 0.507 -5.819 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.773 -0.008 -4.973 1.00 0.00 C ATOM 1460 C TYR A 98 -2.777 0.637 -3.547 1.00 0.00 C ATOM 1461 O TYR A 98 -2.586 1.850 -3.417 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.377 0.095 -5.679 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.240 0.521 -7.153 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.316 1.874 -7.513 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.013 -0.433 -8.145 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -1.137 2.265 -8.843 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.816 -0.041 -9.473 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.871 1.299 -9.811 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.600 1.669 -11.098 1.00 0.00 O ATOM 0 H TYR A 98 -3.817 1.490 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.951 -1.075 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.778 0.792 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.906 -0.884 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.514 2.619 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.989 -1.481 -7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.204 3.307 -9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.621 -0.783 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 98 0.284 1.333 -11.356 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.966 -0.163 -2.477 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.037 0.351 -1.069 1.00 0.00 C ATOM 1481 C VAL A 99 -1.625 0.445 -0.410 1.00 0.00 C ATOM 1482 O VAL A 99 -1.105 -0.544 0.098 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.048 -0.452 -0.166 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.239 0.141 1.254 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.470 -0.582 -0.753 1.00 0.00 C ATOM 0 H VAL A 99 -3.074 -1.175 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.434 1.364 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.562 -1.427 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.950 -0.470 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.282 0.151 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.620 1.159 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.097 -1.149 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.896 0.411 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.422 -1.100 -1.711 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.047 1.650 -0.326 1.00 0.00 N ATOM 1496 CA ILE A 100 0.259 1.906 0.383 1.00 0.00 C ATOM 1497 C ILE A 100 0.295 1.526 1.918 1.00 0.00 C ATOM 1498 O ILE A 100 1.286 1.010 2.436 1.00 0.00 O ATOM 1499 CB ILE A 100 0.674 3.411 0.159 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.673 3.949 -1.312 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.027 3.815 0.803 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.534 3.213 -2.358 1.00 0.00 C ATOM 0 H ILE A 100 -1.454 2.489 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 100 0.984 1.226 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.155 3.889 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.358 3.945 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.998 4.989 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.229 4.866 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.978 3.660 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.826 3.203 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.429 3.703 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.580 3.237 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.203 2.177 -2.438 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.778 1.883 2.646 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.779 2.017 4.120 1.00 0.00 C ATOM 1516 C GLY A 101 -1.018 3.481 4.613 1.00 0.00 C ATOM 1517 O GLY A 101 -1.455 4.367 3.874 1.00 0.00 O ATOM 0 H GLY A 101 -1.683 2.090 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.553 1.371 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.175 1.662 4.510 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.778 3.864 5.863 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.304 2.939 6.938 1.00 0.00 C ATOM 1523 C GLY A 102 -1.358 1.987 7.548 1.00 0.00 C ATOM 1524 O GLY A 102 -2.390 1.672 6.955 1.00 0.00 O ATOM 0 H GLY A 102 -0.901 4.825 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.507 2.334 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.118 3.541 7.743 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.103 1.579 8.793 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.881 0.518 9.486 1.00 0.00 C ATOM 1530 C ALA A 103 -3.438 0.621 9.616 1.00 0.00 C ATOM 1531 O ALA A 103 -4.116 -0.368 9.343 1.00 0.00 O ATOM 1532 CB ALA A 103 -1.186 0.348 10.841 1.00 0.00 C ATOM 0 H ALA A 103 -0.351 1.969 9.361 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.858 -0.354 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.699 -0.420 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.149 0.052 10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.215 1.292 11.386 1.00 0.00 H new ATOM 1538 N ALA A 104 -4.028 1.778 9.996 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.519 1.944 9.963 1.00 0.00 C ATOM 1540 C ALA A 104 -6.221 2.007 8.563 1.00 0.00 C ATOM 1541 O ALA A 104 -7.398 1.667 8.451 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.919 3.175 10.795 1.00 0.00 C ATOM 0 H ALA A 104 -3.518 2.599 10.323 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.885 1.009 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.002 3.295 10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.592 3.039 11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.446 4.065 10.379 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.493 2.441 7.519 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.909 2.283 6.094 1.00 0.00 C ATOM 1550 C ILE A 105 -5.810 0.775 5.636 1.00 0.00 C ATOM 1551 O ILE A 105 -6.802 0.232 5.140 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.136 3.319 5.190 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.390 4.826 5.522 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.460 3.137 3.683 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -4.546 5.415 6.668 1.00 0.00 C ATOM 0 H ILE A 105 -4.596 2.914 7.629 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.965 2.527 5.978 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.094 3.090 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.205 5.412 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.444 4.950 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.905 3.872 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.174 2.133 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.529 3.278 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.806 6.464 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.746 4.864 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.488 5.334 6.419 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.663 0.098 5.836 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.518 -1.387 5.674 1.00 0.00 C ATOM 1569 C TYR A 106 -5.592 -2.288 6.402 1.00 0.00 C ATOM 1570 O TYR A 106 -6.191 -3.145 5.759 1.00 0.00 O ATOM 1571 CB TYR A 106 -3.048 -1.759 6.068 1.00 0.00 C ATOM 1572 CG TYR A 106 -2.212 -2.500 5.015 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.493 -1.780 4.046 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -2.037 -3.881 5.103 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.588 -2.434 3.213 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -1.138 -4.537 4.264 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.411 -3.810 3.325 1.00 0.00 C ATOM 1578 OH TYR A 106 0.459 -4.466 2.499 1.00 0.00 O ATOM 0 H TYR A 106 -3.796 0.557 6.117 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.724 -1.618 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.525 -0.840 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.083 -2.374 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.643 -0.715 3.947 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.603 -4.447 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.025 -1.874 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.006 -5.606 4.342 1.00 0.00 H new ATOM 0 HH TYR A 106 0.459 -5.422 2.716 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.890 -2.059 7.702 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.964 -2.770 8.464 1.00 0.00 C ATOM 1590 C ALA A 107 -8.396 -2.830 7.844 1.00 0.00 C ATOM 1591 O ALA A 107 -8.932 -3.929 7.690 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.991 -2.120 9.861 1.00 0.00 C ATOM 0 H ALA A 107 -5.391 -1.370 8.265 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.697 -3.827 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.759 -2.597 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.019 -2.245 10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.214 -1.057 9.764 1.00 0.00 H new ATOM 1598 N LEU A 108 -9.004 -1.686 7.472 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.303 -1.680 6.738 1.00 0.00 C ATOM 1600 C LEU A 108 -10.288 -2.258 5.278 1.00 0.00 C ATOM 1601 O LEU A 108 -11.268 -2.895 4.886 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.964 -0.273 6.890 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.252 0.963 6.258 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.640 1.199 4.789 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.606 2.245 7.026 1.00 0.00 C ATOM 0 H LEU A 108 -8.627 -0.757 7.662 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.944 -2.421 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.966 -0.331 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.082 -0.077 7.956 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.186 0.741 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.111 2.073 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.370 0.325 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.715 1.367 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.099 3.095 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.684 2.404 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.287 2.147 8.064 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.210 -2.055 4.504 1.00 0.00 N ATOM 1618 CA PHE A 109 -9.056 -2.619 3.135 1.00 0.00 C ATOM 1619 C PHE A 109 -8.714 -4.133 3.014 1.00 0.00 C ATOM 1620 O PHE A 109 -9.237 -4.760 2.089 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.061 -1.735 2.322 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.741 -0.586 1.578 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.709 -0.874 0.611 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.535 0.735 1.973 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.577 0.120 0.174 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.371 1.739 1.502 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.424 1.418 0.644 1.00 0.00 C ATOM 0 H PHE A 109 -8.412 -1.494 4.803 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.059 -2.583 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.312 -1.326 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.533 -2.362 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.783 -1.871 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.725 0.978 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.365 -0.115 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.207 2.764 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.124 2.184 0.344 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.881 -4.718 3.899 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.524 -6.170 3.846 1.00 0.00 C ATOM 1639 C GLN A 110 -8.693 -7.248 3.784 1.00 0.00 C ATOM 1640 O GLN A 110 -8.512 -8.211 3.029 1.00 0.00 O ATOM 1641 CB GLN A 110 -6.313 -6.455 4.769 1.00 0.00 C ATOM 1642 CG GLN A 110 -6.542 -6.563 6.293 1.00 0.00 C ATOM 1643 CD GLN A 110 -6.823 -7.984 6.785 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -6.182 -8.946 6.389 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -7.682 -8.140 7.748 1.00 0.00 N ATOM 0 H GLN A 110 -7.436 -4.213 4.666 1.00 0.00 H new ATOM 0 HA GLN A 110 -7.194 -6.358 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.859 -7.389 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.579 -5.667 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.662 -6.179 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -7.379 -5.922 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -8.221 -7.342 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.817 -9.060 8.167 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.930 -7.096 4.353 1.00 0.00 N ATOM 1655 CA PRO A 111 -11.126 -7.885 3.924 1.00 0.00 C ATOM 1656 C PRO A 111 -11.641 -7.817 2.443 1.00 0.00 C ATOM 1657 O PRO A 111 -12.408 -8.693 2.037 1.00 0.00 O ATOM 1658 CB PRO A 111 -12.183 -7.414 4.944 1.00 0.00 C ATOM 1659 CG PRO A 111 -11.351 -7.139 6.196 1.00 0.00 C ATOM 1660 CD PRO A 111 -10.152 -6.384 5.627 1.00 0.00 C ATOM 0 HA PRO A 111 -10.868 -8.944 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.705 -6.520 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.941 -8.177 5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.899 -6.543 6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.052 -8.060 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.369 -5.327 5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.284 -6.439 6.284 1.00 0.00 H new ATOM 1668 N HIS A 112 -11.286 -6.778 1.673 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.775 -6.549 0.274 1.00 0.00 C ATOM 1670 C HIS A 112 -10.703 -6.539 -0.886 1.00 0.00 C ATOM 1671 O HIS A 112 -11.096 -6.455 -2.052 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.580 -5.213 0.363 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.621 -4.970 -0.728 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.966 -5.257 -0.562 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -13.394 -4.444 -2.012 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -15.452 -4.894 -1.793 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -14.586 -4.382 -2.723 1.00 0.00 N ATOM 0 H HIS A 112 -10.643 -6.054 1.994 1.00 0.00 H new ATOM 0 HA HIS A 112 -12.369 -7.409 -0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.085 -5.183 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.871 -4.386 0.348 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.432 -4.133 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -16.500 -5.010 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.766 -4.049 -3.670 1.00 0.00 H new ATOM 1686 N LEU A 113 -9.389 -6.590 -0.610 1.00 0.00 N ATOM 1687 CA LEU A 113 -8.344 -6.890 -1.636 1.00 0.00 C ATOM 1688 C LEU A 113 -8.034 -8.413 -1.742 1.00 0.00 C ATOM 1689 O LEU A 113 -7.622 -9.051 -0.768 1.00 0.00 O ATOM 1690 CB LEU A 113 -7.022 -6.101 -1.404 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.416 -6.038 0.027 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -5.036 -6.697 0.101 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -6.326 -4.579 0.481 1.00 0.00 C ATOM 0 H LEU A 113 -9.010 -6.427 0.323 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.774 -6.557 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.265 -6.528 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.190 -5.076 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.076 -6.596 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.654 -6.628 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.118 -7.745 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.353 -6.187 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.901 -4.536 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.690 -4.022 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.323 -4.139 0.490 1.00 0.00 H new ATOM 1705 N ASP A 114 -8.151 -8.952 -2.960 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.812 -10.383 -3.240 1.00 0.00 C ATOM 1707 C ASP A 114 -6.372 -10.613 -3.876 1.00 0.00 C ATOM 1708 O ASP A 114 -6.104 -11.646 -4.492 1.00 0.00 O ATOM 1709 CB ASP A 114 -9.046 -10.995 -3.969 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.394 -10.888 -3.228 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.509 -11.401 -2.092 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -11.321 -10.233 -3.750 1.00 0.00 O ATOM 0 H ASP A 114 -8.476 -8.434 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.659 -10.948 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.148 -10.508 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.843 -12.049 -4.161 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.414 -9.681 -3.653 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.979 -9.788 -4.052 1.00 0.00 C ATOM 1719 C ARG A 115 -3.061 -8.933 -3.085 1.00 0.00 C ATOM 1720 O ARG A 115 -3.498 -7.935 -2.500 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.827 -9.345 -5.544 1.00 0.00 C ATOM 1722 CG ARG A 115 -2.447 -9.659 -6.179 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.258 -9.149 -7.626 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.351 -10.071 -8.381 1.00 0.00 N ATOM 1725 CZ ARG A 115 -1.738 -11.222 -8.926 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -2.976 -11.478 -9.237 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -0.833 -12.120 -9.152 1.00 0.00 N ATOM 0 H ARG A 115 -5.620 -8.804 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.650 -10.823 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.602 -9.834 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -4.006 -8.272 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.669 -9.223 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -2.297 -10.739 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.224 -9.086 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.839 -8.143 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.373 -9.799 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.700 -10.780 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.222 -12.376 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.141 -11.934 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.094 -13.014 -9.569 1.00 0.00 H new ATOM 1741 N MET A 116 -1.762 -9.269 -2.941 1.00 0.00 N ATOM 1742 CA MET A 116 -0.795 -8.501 -2.083 1.00 0.00 C ATOM 1743 C MET A 116 0.603 -8.324 -2.783 1.00 0.00 C ATOM 1744 O MET A 116 1.102 -9.245 -3.432 1.00 0.00 O ATOM 1745 CB MET A 116 -0.680 -9.223 -0.711 1.00 0.00 C ATOM 1746 CG MET A 116 -0.648 -8.341 0.542 1.00 0.00 C ATOM 1747 SD MET A 116 -0.202 -9.409 1.925 1.00 0.00 S ATOM 1748 CE MET A 116 -0.349 -8.266 3.303 1.00 0.00 C ATOM 0 H MET A 116 -1.342 -10.073 -3.407 1.00 0.00 H new ATOM 0 HA MET A 116 -1.170 -7.489 -1.927 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.521 -9.911 -0.619 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.227 -9.828 -0.722 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.076 -7.535 0.428 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.619 -7.876 0.711 1.00 0.00 H new ATOM 0 HE1 MET A 116 -0.279 -8.816 4.241 1.00 0.00 H new ATOM 0 HE2 MET A 116 0.454 -7.531 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 116 -1.311 -7.757 3.252 1.00 0.00 H new ATOM 1758 N VAL A 117 1.243 -7.147 -2.652 1.00 0.00 N ATOM 1759 CA VAL A 117 2.575 -6.836 -3.283 1.00 0.00 C ATOM 1760 C VAL A 117 3.499 -6.036 -2.283 1.00 0.00 C ATOM 1761 O VAL A 117 3.834 -4.873 -2.526 1.00 0.00 O ATOM 1762 CB VAL A 117 2.420 -6.096 -4.672 1.00 0.00 C ATOM 1763 CG1 VAL A 117 1.808 -6.947 -5.796 1.00 0.00 C ATOM 1764 CG2 VAL A 117 1.678 -4.743 -4.635 1.00 0.00 C ATOM 0 H VAL A 117 0.865 -6.372 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 117 3.066 -7.785 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 117 3.468 -5.901 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.743 -6.353 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.437 -7.819 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.810 -7.273 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.631 -4.326 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.667 -4.893 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.212 -4.053 -3.981 1.00 0.00 H new ATOM 1774 N LEU A 118 3.929 -6.632 -1.150 1.00 0.00 N ATOM 1775 CA LEU A 118 4.808 -5.944 -0.154 1.00 0.00 C ATOM 1776 C LEU A 118 6.327 -6.311 -0.303 1.00 0.00 C ATOM 1777 O LEU A 118 6.703 -7.456 -0.575 1.00 0.00 O ATOM 1778 CB LEU A 118 4.196 -6.012 1.281 1.00 0.00 C ATOM 1779 CG LEU A 118 4.110 -7.283 2.163 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.248 -8.413 1.582 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.479 -7.799 2.629 1.00 0.00 C ATOM 0 H LEU A 118 3.686 -7.589 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 118 4.825 -4.878 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.742 -5.277 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.173 -5.647 1.185 1.00 0.00 H new ATOM 0 HG LEU A 118 3.579 -6.937 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.247 -9.260 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.227 -8.057 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.657 -8.725 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.343 -8.690 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.090 -8.046 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.978 -7.028 3.216 1.00 0.00 H new ATOM 1793 N SER A 119 7.197 -5.300 -0.133 1.00 0.00 N ATOM 1794 CA SER A 119 8.672 -5.488 -0.146 1.00 0.00 C ATOM 1795 C SER A 119 9.190 -5.818 1.287 1.00 0.00 C ATOM 1796 O SER A 119 9.080 -5.003 2.213 1.00 0.00 O ATOM 1797 CB SER A 119 9.321 -4.205 -0.715 1.00 0.00 C ATOM 1798 OG SER A 119 9.031 -4.051 -2.108 1.00 0.00 O ATOM 0 H SER A 119 6.908 -4.333 0.017 1.00 0.00 H new ATOM 0 HA SER A 119 8.944 -6.332 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.956 -3.336 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.400 -4.245 -0.568 1.00 0.00 H new ATOM 0 HG SER A 119 9.819 -4.299 -2.635 1.00 0.00 H new ATOM 1804 N ARG A 120 9.747 -7.028 1.474 1.00 0.00 N ATOM 1805 CA ARG A 120 10.464 -7.388 2.730 1.00 0.00 C ATOM 1806 C ARG A 120 11.943 -6.888 2.712 1.00 0.00 C ATOM 1807 O ARG A 120 12.605 -6.866 1.670 1.00 0.00 O ATOM 1808 CB ARG A 120 10.330 -8.919 2.999 1.00 0.00 C ATOM 1809 CG ARG A 120 8.933 -9.351 3.522 1.00 0.00 C ATOM 1810 CD ARG A 120 8.919 -10.556 4.493 1.00 0.00 C ATOM 1811 NE ARG A 120 8.866 -11.883 3.802 1.00 0.00 N ATOM 1812 CZ ARG A 120 8.471 -13.028 4.359 1.00 0.00 C ATOM 1813 NH1 ARG A 120 8.124 -13.134 5.612 1.00 0.00 N ATOM 1814 NH2 ARG A 120 8.426 -14.094 3.623 1.00 0.00 N ATOM 0 H ARG A 120 9.720 -7.776 0.781 1.00 0.00 H new ATOM 0 HA ARG A 120 9.996 -6.872 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 120 10.544 -9.459 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 120 11.086 -9.217 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.475 -8.499 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.304 -9.592 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.810 -10.517 5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.059 -10.467 5.157 1.00 0.00 H new ATOM 0 HE ARG A 120 9.156 -11.914 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.147 -12.314 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.830 -14.037 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.690 -14.046 2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.127 -14.981 4.028 1.00 0.00 H new ATOM 1828 N VAL A 121 12.450 -6.448 3.867 1.00 0.00 N ATOM 1829 CA VAL A 121 13.810 -5.839 3.989 1.00 0.00 C ATOM 1830 C VAL A 121 14.661 -6.764 4.935 1.00 0.00 C ATOM 1831 O VAL A 121 14.423 -6.725 6.149 1.00 0.00 O ATOM 1832 CB VAL A 121 13.681 -4.341 4.443 1.00 0.00 C ATOM 1833 CG1 VAL A 121 14.986 -3.674 4.934 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.103 -3.420 3.338 1.00 0.00 C ATOM 0 H VAL A 121 11.944 -6.496 4.751 1.00 0.00 H new ATOM 0 HA VAL A 121 14.340 -5.790 3.038 1.00 0.00 H new ATOM 0 HB VAL A 121 12.998 -4.430 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.782 -2.643 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.373 -4.221 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.725 -3.687 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.038 -2.398 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.755 -3.446 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.108 -3.767 3.058 1.00 0.00 H new ATOM 1844 N PRO A 122 15.657 -7.584 4.470 1.00 0.00 N ATOM 1845 CA PRO A 122 16.573 -8.322 5.390 1.00 0.00 C ATOM 1846 C PRO A 122 17.606 -7.374 6.102 1.00 0.00 C ATOM 1847 O PRO A 122 18.583 -6.920 5.494 1.00 0.00 O ATOM 1848 CB PRO A 122 17.186 -9.368 4.433 1.00 0.00 C ATOM 1849 CG PRO A 122 17.097 -8.782 3.017 1.00 0.00 C ATOM 1850 CD PRO A 122 15.902 -7.827 3.033 1.00 0.00 C ATOM 0 HA PRO A 122 16.089 -8.784 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.222 -9.576 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.645 -10.312 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.014 -8.255 2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.958 -9.570 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.125 -6.900 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.031 -8.269 2.549 1.00 0.00 H new ATOM 1935 N THR A 129 4.168 2.036 13.252 1.00 0.00 N ATOM 1936 CA THR A 129 2.880 1.325 13.498 1.00 0.00 C ATOM 1937 C THR A 129 2.982 -0.214 13.255 1.00 0.00 C ATOM 1938 O THR A 129 3.941 -0.722 12.674 1.00 0.00 O ATOM 1939 CB THR A 129 1.744 1.979 12.641 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.104 2.146 11.266 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.321 3.348 13.179 1.00 0.00 C ATOM 0 HA THR A 129 2.633 1.436 14.554 1.00 0.00 H new ATOM 0 HB THR A 129 0.914 1.276 12.714 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.078 2.221 11.190 1.00 0.00 H new ATOM 0 HG21 THR A 129 0.531 3.758 12.549 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.953 3.240 14.199 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.178 4.022 13.172 1.00 0.00 H new ATOM 1949 N TYR A 130 1.982 -0.978 13.719 1.00 0.00 N ATOM 1950 CA TYR A 130 2.028 -2.475 13.712 1.00 0.00 C ATOM 1951 C TYR A 130 1.008 -3.106 12.698 1.00 0.00 C ATOM 1952 O TYR A 130 -0.032 -2.506 12.394 1.00 0.00 O ATOM 1953 CB TYR A 130 1.810 -2.983 15.175 1.00 0.00 C ATOM 1954 CG TYR A 130 2.891 -2.579 16.202 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.096 -3.283 16.305 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.718 -1.417 16.963 1.00 0.00 C ATOM 1957 CE1 TYR A 130 5.136 -2.790 17.090 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.759 -0.918 17.735 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.979 -1.590 17.774 1.00 0.00 C ATOM 1960 OH TYR A 130 6.035 -1.021 18.430 1.00 0.00 O ATOM 0 H TYR A 130 1.121 -0.595 14.109 1.00 0.00 H new ATOM 0 HA TYR A 130 3.007 -2.801 13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.847 -2.613 15.527 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.745 -4.071 15.155 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.221 -4.214 15.773 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.767 -0.904 16.950 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.063 -3.339 17.167 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.623 -0.010 18.304 1.00 0.00 H new ATOM 0 HH TYR A 130 5.746 -0.185 18.852 1.00 0.00 H new ATOM 1970 N TYR A 131 1.257 -4.344 12.219 1.00 0.00 N ATOM 1971 CA TYR A 131 0.230 -5.157 11.483 1.00 0.00 C ATOM 1972 C TYR A 131 -1.100 -5.389 12.310 1.00 0.00 C ATOM 1973 O TYR A 131 -0.972 -5.716 13.497 1.00 0.00 O ATOM 1974 CB TYR A 131 0.851 -6.511 11.012 1.00 0.00 C ATOM 1975 CG TYR A 131 1.446 -6.495 9.593 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.625 -6.773 8.493 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.802 -6.238 9.383 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.163 -6.835 7.211 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.340 -6.298 8.098 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.524 -6.617 7.018 1.00 0.00 C ATOM 1981 OH TYR A 131 3.060 -6.737 5.764 1.00 0.00 O ATOM 0 H TYR A 131 2.157 -4.814 12.322 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.066 -4.577 10.609 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.633 -6.798 11.714 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.082 -7.282 11.059 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.432 -6.940 8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.438 -5.991 10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.525 -7.052 6.367 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.390 -6.097 7.942 1.00 0.00 H new ATOM 0 HH TYR A 131 2.383 -6.503 5.095 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.360 -5.206 11.800 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.578 -5.189 12.655 1.00 0.00 C ATOM 1993 C PRO A 132 -4.180 -6.618 12.872 1.00 0.00 C ATOM 1994 O PRO A 132 -3.832 -7.284 13.851 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.444 -4.124 11.934 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.879 -3.980 10.507 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.702 -4.951 10.390 1.00 0.00 C ATOM 0 HA PRO A 132 -3.434 -4.914 13.700 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.490 -4.431 11.906 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.405 -3.172 12.463 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.643 -4.210 9.765 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.554 -2.956 10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.981 -5.866 9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.867 -4.513 9.842 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.030 -7.092 11.950 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.626 -8.455 12.011 1.00 0.00 C ATOM 2007 C GLU A 133 -5.507 -9.196 10.628 1.00 0.00 C ATOM 2008 O GLU A 133 -6.500 -9.456 9.965 1.00 0.00 O ATOM 2009 CB GLU A 133 -7.015 -8.346 12.733 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.180 -7.490 12.133 1.00 0.00 C ATOM 2011 CD GLU A 133 -9.138 -6.783 13.103 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -9.048 -6.952 14.338 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -9.976 -6.003 12.608 1.00 0.00 O ATOM 0 H GLU A 133 -5.330 -6.551 11.139 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.070 -9.154 12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.394 -9.362 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.823 -7.962 13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.737 -6.730 11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.775 -8.141 11.493 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.258 -9.514 10.177 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.977 -10.079 8.827 1.00 0.00 C ATOM 2022 C TRP A 134 -3.861 -11.655 8.780 1.00 0.00 C ATOM 2023 O TRP A 134 -3.575 -12.302 9.788 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.800 -9.269 8.168 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.366 -9.849 8.144 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.674 -10.212 6.965 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.485 -10.136 9.180 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.624 -10.686 7.233 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.703 -10.659 8.614 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.633 -10.061 10.590 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.751 -11.109 9.447 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.415 -10.513 11.395 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.591 -11.027 10.832 1.00 0.00 C ATOM 0 H TRP A 134 -3.419 -9.385 10.742 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.853 -9.937 8.194 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -3.085 -9.071 7.135 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.749 -8.305 8.675 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -1.093 -10.134 5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.338 -10.980 6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.536 -9.663 11.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.659 -11.509 9.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.318 -10.466 12.470 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.386 -11.365 11.480 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.108 -12.244 7.600 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.417 -13.696 7.477 1.00 0.00 C ATOM 2046 C ASP A 135 -3.125 -14.593 7.493 1.00 0.00 C ATOM 2047 O ASP A 135 -2.478 -14.811 6.461 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.323 -13.910 6.218 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.518 -12.969 5.976 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -7.617 -13.222 6.509 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -6.356 -11.961 5.255 1.00 0.00 O ATOM 0 H ASP A 135 -4.102 -11.745 6.710 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.973 -14.026 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.680 -13.854 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.712 -14.927 6.264 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.716 -15.105 8.678 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.432 -15.863 8.816 1.00 0.00 C ATOM 2058 C ALA A 136 -1.344 -17.342 8.277 1.00 0.00 C ATOM 2059 O ALA A 136 -0.237 -17.796 7.989 1.00 0.00 O ATOM 2060 CB ALA A 136 -1.037 -15.793 10.308 1.00 0.00 C ATOM 0 H ALA A 136 -3.243 -15.013 9.547 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.736 -15.370 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.103 -16.333 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.907 -14.751 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.822 -16.245 10.914 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.458 -18.090 8.169 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.540 -19.272 7.268 1.00 0.00 C ATOM 2068 C ALA A 137 -3.281 -19.002 5.909 1.00 0.00 C ATOM 2069 O ALA A 137 -2.843 -19.493 4.875 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.154 -20.464 8.042 1.00 0.00 C ATOM 0 H ALA A 137 -3.315 -17.904 8.690 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.522 -19.517 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.216 -21.332 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.526 -20.703 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.153 -20.198 8.386 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.379 -18.216 5.898 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.243 -18.019 4.686 1.00 0.00 C ATOM 2078 C GLU A 138 -4.881 -16.816 3.726 1.00 0.00 C ATOM 2079 O GLU A 138 -5.741 -16.260 3.028 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.689 -18.030 5.271 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.189 -19.448 5.687 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.681 -19.615 5.865 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -9.390 -19.623 4.839 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.145 -19.816 7.009 1.00 0.00 O ATOM 0 H GLU A 138 -4.700 -17.698 6.716 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.087 -18.811 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.724 -17.373 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.374 -17.616 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.854 -20.162 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -6.702 -19.720 6.623 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.584 -16.530 3.582 1.00 0.00 N ATOM 2092 CA TRP A 139 -3.011 -15.782 2.439 1.00 0.00 C ATOM 2093 C TRP A 139 -2.100 -16.779 1.629 1.00 0.00 C ATOM 2094 O TRP A 139 -1.038 -17.175 2.110 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.211 -14.541 2.979 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.866 -13.157 2.897 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.126 -12.297 3.977 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.269 -12.452 1.784 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.774 -11.102 3.591 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.843 -11.227 2.218 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -3.201 -12.766 0.399 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.362 -10.316 1.270 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.709 -11.842 -0.515 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.288 -10.643 -0.085 1.00 0.00 C ATOM 0 H TRP A 139 -2.882 -16.814 4.265 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.785 -15.397 1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.969 -14.732 4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.267 -14.494 2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.858 -12.526 4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.107 -10.338 4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.767 -13.696 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.807 -9.385 1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.654 -12.056 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.686 -9.956 -0.817 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.497 -17.161 0.405 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.664 -18.048 -0.466 1.00 0.00 C ATOM 2117 C GLU A 140 -0.553 -17.274 -1.241 1.00 0.00 C ATOM 2118 O GLU A 140 -0.754 -16.146 -1.699 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.606 -18.786 -1.461 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.460 -19.920 -0.826 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.643 -21.181 -0.623 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -2.001 -21.335 0.433 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -2.595 -21.997 -1.566 1.00 0.00 O ATOM 0 H GLU A 140 -3.383 -16.879 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.143 -18.759 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.276 -18.056 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.004 -19.210 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.858 -19.585 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.314 -20.137 -1.468 1.00 0.00 H new ATOM 2130 N LEU A 141 0.626 -17.889 -1.407 1.00 0.00 N ATOM 2131 CA LEU A 141 1.766 -17.275 -2.143 1.00 0.00 C ATOM 2132 C LEU A 141 1.742 -17.601 -3.680 1.00 0.00 C ATOM 2133 O LEU A 141 1.665 -18.766 -4.085 1.00 0.00 O ATOM 2134 CB LEU A 141 3.109 -17.697 -1.474 1.00 0.00 C ATOM 2135 CG LEU A 141 3.390 -17.069 -0.077 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.053 -18.034 1.077 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.836 -16.568 0.062 1.00 0.00 C ATOM 0 H LEU A 141 0.827 -18.820 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 141 1.667 -16.192 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.119 -18.782 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 141 3.927 -17.431 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 141 2.726 -16.207 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.266 -17.550 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 141 1.997 -18.299 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 141 3.658 -18.936 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.979 -16.140 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.525 -17.402 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.032 -15.807 -0.693 1.00 0.00 H new ATOM 2149 N ASP A 142 1.848 -16.559 -4.515 1.00 0.00 N ATOM 2150 CA ASP A 142 1.954 -16.682 -6.007 1.00 0.00 C ATOM 2151 C ASP A 142 3.456 -16.767 -6.469 1.00 0.00 C ATOM 2152 O ASP A 142 3.877 -17.765 -7.061 1.00 0.00 O ATOM 2153 CB ASP A 142 1.143 -15.490 -6.607 1.00 0.00 C ATOM 2154 CG ASP A 142 0.863 -15.495 -8.113 1.00 0.00 C ATOM 2155 OD1 ASP A 142 1.816 -15.392 -8.911 1.00 0.00 O ATOM 2156 OD2 ASP A 142 -0.324 -15.532 -8.508 1.00 0.00 O ATOM 0 H ASP A 142 1.864 -15.593 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 142 1.525 -17.613 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.185 -15.444 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.677 -14.570 -6.370 1.00 0.00 H new ATOM 2161 N ALA A 143 4.274 -15.730 -6.178 1.00 0.00 N ATOM 2162 CA ALA A 143 5.683 -15.642 -6.647 1.00 0.00 C ATOM 2163 C ALA A 143 6.605 -14.833 -5.668 1.00 0.00 C ATOM 2164 O ALA A 143 6.271 -13.711 -5.286 1.00 0.00 O ATOM 2165 CB ALA A 143 5.645 -14.990 -8.050 1.00 0.00 C ATOM 0 H ALA A 143 3.981 -14.932 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 143 6.120 -16.640 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.660 -14.903 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.051 -15.608 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.198 -13.999 -7.978 1.00 0.00 H new ATOM 2171 N GLU A 144 7.801 -15.349 -5.317 1.00 0.00 N ATOM 2172 CA GLU A 144 8.834 -14.563 -4.556 1.00 0.00 C ATOM 2173 C GLU A 144 10.102 -14.292 -5.441 1.00 0.00 C ATOM 2174 O GLU A 144 10.536 -15.138 -6.231 1.00 0.00 O ATOM 2175 CB GLU A 144 9.137 -15.219 -3.171 1.00 0.00 C ATOM 2176 CG GLU A 144 9.831 -14.300 -2.110 1.00 0.00 C ATOM 2177 CD GLU A 144 9.758 -14.721 -0.639 1.00 0.00 C ATOM 2178 OE1 GLU A 144 9.906 -15.923 -0.338 1.00 0.00 O ATOM 2179 OE2 GLU A 144 9.588 -13.839 0.238 1.00 0.00 O ATOM 0 H GLU A 144 8.089 -16.302 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 144 8.431 -13.578 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.199 -15.581 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.770 -16.091 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.883 -14.212 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.396 -13.304 -2.195 1.00 0.00 H new ATOM 2186 N THR A 145 10.693 -13.085 -5.340 1.00 0.00 N ATOM 2187 CA THR A 145 11.911 -12.692 -6.117 1.00 0.00 C ATOM 2188 C THR A 145 12.972 -12.008 -5.200 1.00 0.00 C ATOM 2189 O THR A 145 12.839 -10.842 -4.804 1.00 0.00 O ATOM 2190 CB THR A 145 11.578 -11.783 -7.344 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.798 -10.649 -6.968 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.826 -12.512 -8.465 1.00 0.00 C ATOM 0 H THR A 145 10.350 -12.349 -4.723 1.00 0.00 H new ATOM 0 HA THR A 145 12.334 -13.617 -6.510 1.00 0.00 H new ATOM 0 HB THR A 145 12.553 -11.473 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.157 -10.265 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.630 -11.818 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.432 -13.341 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.881 -12.896 -8.080 1.00 0.00 H new ATOM 2200 N ASP A 146 14.058 -12.733 -4.919 1.00 0.00 N ATOM 2201 CA ASP A 146 15.207 -12.225 -4.127 1.00 0.00 C ATOM 2202 C ASP A 146 16.084 -11.104 -4.818 1.00 0.00 C ATOM 2203 O ASP A 146 16.187 -10.990 -6.048 1.00 0.00 O ATOM 2204 CB ASP A 146 15.963 -13.520 -3.724 1.00 0.00 C ATOM 2205 CG ASP A 146 17.190 -13.276 -2.863 1.00 0.00 C ATOM 2206 OD1 ASP A 146 17.033 -12.664 -1.786 1.00 0.00 O ATOM 2207 OD2 ASP A 146 18.307 -13.637 -3.284 1.00 0.00 O ATOM 0 H ASP A 146 14.176 -13.697 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 146 14.880 -11.653 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 146 15.278 -14.176 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 146 16.265 -14.048 -4.628 1.00 0.00 H new ATOM 2212 N HIS A 147 16.664 -10.230 -3.975 1.00 0.00 N ATOM 2213 CA HIS A 147 17.590 -9.143 -4.410 1.00 0.00 C ATOM 2214 C HIS A 147 18.708 -8.849 -3.351 1.00 0.00 C ATOM 2215 O HIS A 147 18.587 -9.147 -2.160 1.00 0.00 O ATOM 2216 CB HIS A 147 16.804 -7.814 -4.684 1.00 0.00 C ATOM 2217 CG HIS A 147 15.645 -7.884 -5.679 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.348 -8.172 -5.311 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.771 -7.984 -7.072 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.807 -8.543 -6.508 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.570 -8.410 -7.641 1.00 0.00 N ATOM 0 H HIS A 147 16.509 -10.250 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 147 18.062 -9.498 -5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.413 -7.450 -3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.514 -7.069 -5.043 1.00 0.00 H new ATOM 0 HD1 HIS A 147 13.910 -8.121 -4.391 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.671 -7.763 -7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.801 -8.932 -6.562 1.00 0.00 H new ATOM 2230 N GLU A 148 19.741 -8.103 -3.782 1.00 0.00 N ATOM 2231 CA GLU A 148 20.793 -7.509 -2.896 1.00 0.00 C ATOM 2232 C GLU A 148 20.409 -6.696 -1.601 1.00 0.00 C ATOM 2233 O GLU A 148 21.218 -6.608 -0.673 1.00 0.00 O ATOM 2234 CB GLU A 148 21.714 -6.723 -3.874 1.00 0.00 C ATOM 2235 CG GLU A 148 21.128 -5.448 -4.556 1.00 0.00 C ATOM 2236 CD GLU A 148 21.810 -5.028 -5.846 1.00 0.00 C ATOM 2237 OE1 GLU A 148 22.821 -4.298 -5.793 1.00 0.00 O ATOM 2238 OE2 GLU A 148 21.307 -5.406 -6.926 1.00 0.00 O ATOM 0 H GLU A 148 19.883 -7.885 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 148 21.263 -8.338 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.610 -6.429 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.031 -7.408 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.072 -5.620 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.184 -4.620 -3.849 1.00 0.00 H new ATOM 2245 N GLY A 149 19.187 -6.150 -1.503 1.00 0.00 N ATOM 2246 CA GLY A 149 18.569 -5.845 -0.179 1.00 0.00 C ATOM 2247 C GLY A 149 17.049 -5.562 -0.186 1.00 0.00 C ATOM 2248 O GLY A 149 16.602 -4.631 0.482 1.00 0.00 O ATOM 0 H GLY A 149 18.605 -5.909 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.758 -6.685 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.077 -4.979 0.245 1.00 0.00 H new ATOM 2252 N PHE A 150 16.253 -6.380 -0.903 1.00 0.00 N ATOM 2253 CA PHE A 150 14.765 -6.382 -0.795 1.00 0.00 C ATOM 2254 C PHE A 150 14.142 -7.701 -1.387 1.00 0.00 C ATOM 2255 O PHE A 150 14.575 -8.220 -2.417 1.00 0.00 O ATOM 2256 CB PHE A 150 14.092 -5.080 -1.349 1.00 0.00 C ATOM 2257 CG PHE A 150 13.656 -5.028 -2.826 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.588 -4.850 -3.849 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.305 -5.198 -3.151 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.174 -4.835 -5.183 1.00 0.00 C ATOM 2261 CE2 PHE A 150 11.893 -5.184 -4.479 1.00 0.00 C ATOM 2262 CZ PHE A 150 12.829 -5.001 -5.494 1.00 0.00 C ATOM 0 H PHE A 150 16.614 -7.059 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 150 14.536 -6.375 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.210 -4.882 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.786 -4.256 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.633 -4.723 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.578 -5.341 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 150 14.898 -4.695 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 150 10.849 -5.315 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.509 -4.988 -6.525 1.00 0.00 H new ATOM 2272 N THR A 151 13.062 -8.187 -0.781 1.00 0.00 N ATOM 2273 CA THR A 151 12.347 -9.424 -1.213 1.00 0.00 C ATOM 2274 C THR A 151 10.875 -9.062 -1.586 1.00 0.00 C ATOM 2275 O THR A 151 10.004 -8.951 -0.717 1.00 0.00 O ATOM 2276 CB THR A 151 12.471 -10.579 -0.147 1.00 0.00 C ATOM 2277 OG1 THR A 151 12.886 -10.151 1.148 1.00 0.00 O ATOM 2278 CG2 THR A 151 13.480 -11.661 -0.548 1.00 0.00 C ATOM 0 H THR A 151 12.640 -7.742 0.034 1.00 0.00 H new ATOM 0 HA THR A 151 12.821 -9.828 -2.107 1.00 0.00 H new ATOM 0 HB THR A 151 11.451 -10.962 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 151 12.936 -10.924 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 151 13.519 -12.427 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.173 -12.114 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.467 -11.213 -0.665 1.00 0.00 H new ATOM 2286 N LEU A 152 10.568 -8.885 -2.892 1.00 0.00 N ATOM 2287 CA LEU A 152 9.147 -8.835 -3.364 1.00 0.00 C ATOM 2288 C LEU A 152 8.496 -10.252 -3.326 1.00 0.00 C ATOM 2289 O LEU A 152 8.940 -11.170 -4.019 1.00 0.00 O ATOM 2290 CB LEU A 152 9.049 -8.178 -4.775 1.00 0.00 C ATOM 2291 CG LEU A 152 7.665 -8.080 -5.499 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.255 -9.377 -6.227 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.508 -7.573 -4.608 1.00 0.00 C ATOM 0 H LEU A 152 11.262 -8.776 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 152 8.580 -8.205 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.442 -7.165 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 152 9.722 -8.726 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 152 7.838 -7.314 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.286 -9.235 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.001 -9.621 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.188 -10.193 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.588 -7.537 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.376 -8.249 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 152 6.743 -6.575 -4.240 1.00 0.00 H new ATOM 2305 N GLN A 153 7.426 -10.360 -2.543 1.00 0.00 N ATOM 2306 CA GLN A 153 6.514 -11.534 -2.534 1.00 0.00 C ATOM 2307 C GLN A 153 5.098 -11.111 -3.064 1.00 0.00 C ATOM 2308 O GLN A 153 4.427 -10.262 -2.453 1.00 0.00 O ATOM 2309 CB GLN A 153 6.483 -12.209 -1.124 1.00 0.00 C ATOM 2310 CG GLN A 153 6.657 -11.323 0.143 1.00 0.00 C ATOM 2311 CD GLN A 153 6.285 -11.963 1.479 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.311 -13.156 1.721 1.00 0.00 O ATOM 2313 NE2 GLN A 153 5.933 -11.146 2.434 1.00 0.00 N ATOM 0 H GLN A 153 7.152 -9.633 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 153 6.890 -12.298 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.531 -12.732 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.266 -12.967 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.698 -11.004 0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.054 -10.424 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 153 5.902 -10.141 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 153 5.689 -11.512 3.354 1.00 0.00 H new ATOM 2322 N GLU A 154 4.657 -11.689 -4.199 1.00 0.00 N ATOM 2323 CA GLU A 154 3.241 -11.636 -4.663 1.00 0.00 C ATOM 2324 C GLU A 154 2.343 -12.763 -4.043 1.00 0.00 C ATOM 2325 O GLU A 154 2.784 -13.888 -3.787 1.00 0.00 O ATOM 2326 CB GLU A 154 3.160 -11.605 -6.231 1.00 0.00 C ATOM 2327 CG GLU A 154 2.788 -10.190 -6.749 1.00 0.00 C ATOM 2328 CD GLU A 154 2.262 -9.941 -8.150 1.00 0.00 C ATOM 2329 OE1 GLU A 154 1.432 -10.729 -8.628 1.00 0.00 O ATOM 2330 OE2 GLU A 154 2.545 -8.861 -8.715 1.00 0.00 O ATOM 0 H GLU A 154 5.269 -12.210 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 154 2.826 -10.700 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.118 -11.909 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 154 2.418 -12.326 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.040 -9.794 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.680 -9.574 -6.638 1.00 0.00 H new ATOM 2337 N TRP A 155 1.069 -12.426 -3.787 1.00 0.00 N ATOM 2338 CA TRP A 155 0.123 -13.313 -3.044 1.00 0.00 C ATOM 2339 C TRP A 155 -1.298 -13.329 -3.691 1.00 0.00 C ATOM 2340 O TRP A 155 -1.791 -12.293 -4.152 1.00 0.00 O ATOM 2341 CB TRP A 155 -0.033 -12.819 -1.578 1.00 0.00 C ATOM 2342 CG TRP A 155 1.210 -12.717 -0.680 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.159 -11.674 -0.727 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.517 -13.431 0.457 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.023 -11.690 0.376 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.604 -12.787 1.100 1.00 0.00 C ATOM 2347 CE3 TRP A 155 0.911 -14.567 1.045 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.045 -13.240 2.362 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.399 -15.021 2.272 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.441 -14.363 2.925 1.00 0.00 C ATOM 0 H TRP A 155 0.656 -11.541 -4.081 1.00 0.00 H new ATOM 0 HA TRP A 155 0.544 -14.318 -3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.493 -11.832 -1.613 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.741 -13.483 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.213 -10.946 -1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 155 3.782 -11.044 0.592 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.090 -15.071 0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 3.838 -12.725 2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 0.961 -15.899 2.724 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.785 -14.729 3.881 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.986 -14.479 -3.649 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.326 -14.683 -4.299 1.00 0.00 C ATOM 2363 C VAL A 156 -4.539 -15.093 -3.355 1.00 0.00 C ATOM 2364 O VAL A 156 -5.667 -15.210 -3.840 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.071 -15.629 -5.531 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.823 -17.116 -5.177 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.157 -15.541 -6.622 1.00 0.00 C ATOM 0 H VAL A 156 -1.643 -15.309 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.714 -13.718 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.139 -15.230 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.658 -17.685 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.945 -17.196 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.692 -17.515 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.910 -16.222 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.122 -15.818 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -4.207 -14.521 -7.004 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.353 -15.225 -2.015 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.457 -15.353 -0.997 1.00 0.00 C ATOM 2379 C ARG A 157 -6.113 -16.781 -0.868 1.00 0.00 C ATOM 2380 O ARG A 157 -5.776 -17.697 -1.622 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.419 -14.127 -1.099 1.00 0.00 C ATOM 2382 CG ARG A 157 -7.079 -13.655 0.220 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.720 -12.277 0.023 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.224 -11.789 1.326 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.470 -11.437 1.582 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -10.405 -11.260 0.673 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -9.765 -11.272 2.831 1.00 0.00 N ATOM 0 H ARG A 157 -3.424 -15.247 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.006 -15.299 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.862 -13.290 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.210 -14.372 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.834 -14.375 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.333 -13.608 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.990 -11.577 -0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.536 -12.341 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.552 -11.719 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.189 -11.396 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.346 -10.987 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.052 -11.414 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.710 -11.000 3.100 1.00 0.00 H new ATOM 2401 N SER A 158 -7.009 -16.993 0.121 1.00 0.00 N ATOM 2402 CA SER A 158 -7.553 -18.343 0.488 1.00 0.00 C ATOM 2403 C SER A 158 -8.381 -19.061 -0.637 1.00 0.00 C ATOM 2404 O SER A 158 -9.596 -18.886 -0.790 1.00 0.00 O ATOM 2405 CB SER A 158 -8.350 -18.191 1.808 1.00 0.00 C ATOM 2406 OG SER A 158 -8.473 -19.458 2.465 1.00 0.00 O ATOM 0 H SER A 158 -7.384 -16.238 0.696 1.00 0.00 H new ATOM 0 HA SER A 158 -6.707 -19.016 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.847 -17.481 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 158 -9.340 -17.785 1.598 1.00 0.00 H new ATOM 0 HG SER A 158 -8.590 -19.317 3.428 1.00 0.00 H new