USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1072 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 93 SER OG : rot -166:sc= 0.8 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0.651 USER MOD Set 2.1: A 91 ASN : amide:sc= -0.521 K(o=-0.52,f=-3.3!) USER MOD Set 2.2: A 118 THR OG1 : rot -150:sc= 0 USER MOD Set 3.1: A 66 MET CE :methyl -160:sc= -0.364 (180deg=-1.26) USER MOD Set 3.2: A 117 MET CE :methyl 179:sc= -2.12! (180deg=-2.1!) USER MOD Set 4.1: A 35 ASN : amide:sc= 0 K(o=-0.95,f=-1.9) USER MOD Set 4.2: A 62 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.46) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -133:sc= -0.178 (180deg=-0.756) USER MOD Single : A 5 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.28) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.022 USER MOD Single : A -1 GLY N :NH3+ -123:sc= 0.111 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.0092 (180deg=-0.111) USER MOD Single : A 18 SER OG : rot 180:sc= -1.26 USER MOD Single : A 23 GLN : amide:sc= -1.47! C(o=-1.5!,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 0.874 (180deg=0.0442) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.126) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.0674 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.979) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.083) USER MOD Single : A 71 SER OG : rot 28:sc= 1.23 USER MOD Single : A 75 SER OG : rot -77:sc= 0.616 USER MOD Single : A 77 MET CE :methyl -162:sc= -2.98! (180deg=-3.43!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -118:sc= 0.133 USER MOD Single : A 90 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.4!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.038 (180deg=-0.177) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 162:sc= -0.0543 (180deg=-0.418) USER MOD Single : A 98 SER OG : rot -32:sc= 0.192 USER MOD Single : A 100 THR OG1 : rot -71:sc= -0.509 USER MOD Single : A 101 MET CE :methyl -106:sc= -0.413 (180deg=-1.93!) USER MOD Single : A 105 TYR OH : rot 30:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 34:sc= 1.87 USER MOD Single : A 119 TYR OH : rot 168:sc= -0.174 USER MOD Single : A 121 SER OG : rot 20:sc= 0.975 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 65:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -24.689 27.697 9.658 1.00 29.36 N ATOM 2 CA GLY A -1 -23.876 26.478 9.874 1.00 29.54 C ATOM 3 C GLY A -1 -24.724 25.313 10.321 1.00 29.10 C ATOM 4 O GLY A -1 -25.953 25.377 10.246 1.00 28.91 O ATOM 0 H1 GLY A -1 -24.556 28.035 8.683 1.00 29.36 H new ATOM 0 H2 GLY A -1 -25.693 27.477 9.814 1.00 29.36 H new ATOM 0 H3 GLY A -1 -24.389 28.437 10.325 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -23.358 26.218 8.951 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -23.110 26.679 10.623 1.00 29.54 H new ATOM 10 N SER A 0 -24.072 24.253 10.784 1.00 28.99 N ATOM 11 CA SER A 0 -24.760 23.054 11.244 1.00 28.64 C ATOM 12 C SER A 0 -25.620 22.470 10.127 1.00 27.50 C ATOM 13 O SER A 0 -26.851 22.443 10.215 1.00 27.11 O ATOM 14 CB SER A 0 -25.612 23.375 12.476 1.00 29.29 C ATOM 15 OG SER A 0 -24.830 23.991 13.488 1.00 29.85 O ATOM 0 H SER A 0 -23.056 24.201 10.851 1.00 28.99 H new ATOM 0 HA SER A 0 -24.016 22.308 11.524 1.00 28.64 H new ATOM 0 HB2 SER A 0 -26.433 24.034 12.193 1.00 29.29 H new ATOM 0 HB3 SER A 0 -26.058 22.459 12.863 1.00 29.29 H new ATOM 0 HG SER A 0 -25.395 24.188 14.264 1.00 29.85 H new ATOM 21 N MET A 1 -24.961 22.033 9.064 1.00 27.04 N ATOM 22 CA MET A 1 -25.645 21.475 7.906 1.00 26.01 C ATOM 23 C MET A 1 -26.074 20.043 8.208 1.00 25.09 C ATOM 24 O MET A 1 -25.237 19.188 8.504 1.00 25.06 O ATOM 25 CB MET A 1 -24.718 21.526 6.680 1.00 26.03 C ATOM 26 CG MET A 1 -25.412 21.293 5.341 1.00 26.09 C ATOM 27 SD MET A 1 -25.858 19.569 5.040 1.00 26.08 S ATOM 28 CE MET A 1 -24.248 18.786 5.008 1.00 26.33 C ATOM 0 H MET A 1 -23.945 22.055 8.979 1.00 27.04 H new ATOM 0 HA MET A 1 -26.536 22.063 7.685 1.00 26.01 H new ATOM 0 HB2 MET A 1 -24.227 22.499 6.654 1.00 26.03 H new ATOM 0 HB3 MET A 1 -23.936 20.777 6.803 1.00 26.03 H new ATOM 0 HG2 MET A 1 -26.313 21.904 5.299 1.00 26.09 H new ATOM 0 HG3 MET A 1 -24.757 21.634 4.539 1.00 26.09 H new ATOM 0 HE1 MET A 1 -24.182 18.125 4.144 1.00 26.33 H new ATOM 0 HE2 MET A 1 -23.473 19.550 4.940 1.00 26.33 H new ATOM 0 HE3 MET A 1 -24.107 18.206 5.920 1.00 26.33 H new ATOM 38 N PRO A 2 -27.388 19.769 8.183 1.00 24.39 N ATOM 39 CA PRO A 2 -27.909 18.435 8.463 1.00 23.52 C ATOM 40 C PRO A 2 -27.724 17.482 7.286 1.00 22.82 C ATOM 41 O PRO A 2 -28.115 17.789 6.157 1.00 22.63 O ATOM 42 CB PRO A 2 -29.394 18.687 8.726 1.00 23.10 C ATOM 43 CG PRO A 2 -29.722 19.919 7.952 1.00 23.69 C ATOM 44 CD PRO A 2 -28.458 20.737 7.884 1.00 24.48 C ATOM 0 HA PRO A 2 -27.391 17.957 9.295 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -30.001 17.843 8.399 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -29.588 18.826 9.790 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -30.073 19.666 6.952 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -30.520 20.480 8.438 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -28.326 21.186 6.900 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -28.471 21.553 8.607 1.00 24.48 H new ATOM 52 N PRO A 3 -27.134 16.305 7.539 1.00 22.54 N ATOM 53 CA PRO A 3 -26.922 15.297 6.502 1.00 21.97 C ATOM 54 C PRO A 3 -28.245 14.753 5.970 1.00 21.06 C ATOM 55 O PRO A 3 -29.098 14.318 6.749 1.00 20.64 O ATOM 56 CB PRO A 3 -26.128 14.198 7.216 1.00 21.96 C ATOM 57 CG PRO A 3 -26.404 14.398 8.666 1.00 22.48 C ATOM 58 CD PRO A 3 -26.624 15.871 8.851 1.00 22.87 C ATOM 0 HA PRO A 3 -26.403 15.701 5.633 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -26.443 13.208 6.888 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -25.062 14.280 7.003 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -27.282 13.831 8.977 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -25.568 14.050 9.273 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -27.340 16.074 9.648 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -25.700 16.386 9.114 1.00 22.87 H new ATOM 66 N PRO A 4 -28.438 14.798 4.639 1.00 20.84 N ATOM 67 CA PRO A 4 -29.674 14.336 3.992 1.00 20.09 C ATOM 68 C PRO A 4 -30.019 12.891 4.343 1.00 19.53 C ATOM 69 O PRO A 4 -29.458 11.949 3.773 1.00 19.27 O ATOM 70 CB PRO A 4 -29.368 14.463 2.496 1.00 20.21 C ATOM 71 CG PRO A 4 -28.284 15.481 2.410 1.00 21.02 C ATOM 72 CD PRO A 4 -27.466 15.316 3.659 1.00 21.43 C ATOM 0 HA PRO A 4 -30.537 14.918 4.316 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -29.048 13.509 2.076 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -30.250 14.777 1.938 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -27.674 15.328 1.520 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -28.697 16.487 2.344 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -26.639 14.622 3.509 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -27.034 16.262 3.984 1.00 21.43 H new ATOM 80 N GLN A 5 -30.937 12.738 5.299 1.00 19.48 N ATOM 81 CA GLN A 5 -31.420 11.431 5.738 1.00 19.08 C ATOM 82 C GLN A 5 -30.276 10.522 6.168 1.00 18.23 C ATOM 83 O GLN A 5 -30.037 9.475 5.566 1.00 17.82 O ATOM 84 CB GLN A 5 -32.245 10.762 4.635 1.00 19.59 C ATOM 85 CG GLN A 5 -33.563 11.464 4.356 1.00 19.61 C ATOM 86 CD GLN A 5 -34.462 11.511 5.577 1.00 20.26 C ATOM 87 OE1 GLN A 5 -35.260 10.604 5.811 1.00 20.54 O ATOM 88 NE2 GLN A 5 -34.342 12.569 6.362 1.00 20.60 N ATOM 0 H GLN A 5 -31.367 13.521 5.791 1.00 19.48 H new ATOM 0 HA GLN A 5 -32.058 11.594 6.606 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -31.656 10.733 3.718 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -32.445 9.729 4.918 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -33.365 12.480 4.014 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -34.081 10.950 3.546 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -33.668 13.300 6.133 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -34.923 12.654 7.196 1.00 20.60 H new ATOM 97 N LYS A 6 -29.566 10.926 7.210 1.00 18.08 N ATOM 98 CA LYS A 6 -28.480 10.120 7.743 1.00 17.42 C ATOM 99 C LYS A 6 -29.042 8.905 8.467 1.00 16.78 C ATOM 100 O LYS A 6 -29.897 9.036 9.344 1.00 16.87 O ATOM 101 CB LYS A 6 -27.610 10.946 8.691 1.00 17.87 C ATOM 102 CG LYS A 6 -26.410 10.183 9.229 1.00 18.15 C ATOM 103 CD LYS A 6 -25.522 11.066 10.088 1.00 18.50 C ATOM 104 CE LYS A 6 -24.302 10.309 10.582 1.00 18.81 C ATOM 105 NZ LYS A 6 -23.372 11.183 11.343 1.00 18.97 N ATOM 0 H LYS A 6 -29.722 11.806 7.702 1.00 18.08 H new ATOM 0 HA LYS A 6 -27.858 9.783 6.914 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -27.260 11.836 8.168 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -28.220 11.286 9.528 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -26.754 9.331 9.816 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -25.830 9.783 8.397 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -25.204 11.935 9.512 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -26.091 11.438 10.940 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -24.621 9.482 11.216 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -23.776 9.875 9.732 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -22.554 10.625 11.661 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -23.046 11.959 10.732 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -23.865 11.578 12.170 1.00 18.97 H new ATOM 119 N ILE A 7 -28.577 7.728 8.081 1.00 16.28 N ATOM 120 CA ILE A 7 -29.036 6.488 8.688 1.00 15.80 C ATOM 121 C ILE A 7 -28.477 6.332 10.100 1.00 15.32 C ATOM 122 O ILE A 7 -27.348 6.743 10.378 1.00 15.18 O ATOM 123 CB ILE A 7 -28.629 5.262 7.842 1.00 15.71 C ATOM 124 CG1 ILE A 7 -27.111 5.231 7.628 1.00 16.07 C ATOM 125 CG2 ILE A 7 -29.360 5.280 6.509 1.00 15.48 C ATOM 126 CD1 ILE A 7 -26.622 3.994 6.906 1.00 16.36 C ATOM 0 H ILE A 7 -27.879 7.605 7.347 1.00 16.28 H new ATOM 0 HA ILE A 7 -30.124 6.538 8.734 1.00 15.80 H new ATOM 0 HB ILE A 7 -28.912 4.358 8.381 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -26.815 6.113 7.060 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -26.615 5.295 8.597 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -29.065 4.411 5.921 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -30.436 5.252 6.683 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -29.104 6.190 5.966 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -25.539 4.044 6.792 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -26.886 3.108 7.483 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -27.089 3.938 5.922 1.00 16.36 H new ATOM 138 N PRO A 8 -29.269 5.749 11.014 1.00 15.19 N ATOM 139 CA PRO A 8 -28.835 5.491 12.388 1.00 14.91 C ATOM 140 C PRO A 8 -27.858 4.318 12.463 1.00 14.32 C ATOM 141 O PRO A 8 -28.161 3.270 13.035 1.00 14.51 O ATOM 142 CB PRO A 8 -30.141 5.161 13.114 1.00 15.11 C ATOM 143 CG PRO A 8 -31.031 4.603 12.059 1.00 15.30 C ATOM 144 CD PRO A 8 -30.656 5.303 10.780 1.00 15.48 C ATOM 0 HA PRO A 8 -28.300 6.336 12.823 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -29.977 4.440 13.915 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -30.576 6.051 13.569 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -30.897 3.525 11.967 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -32.079 4.774 12.304 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -30.721 4.632 9.923 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -31.318 6.145 10.576 1.00 15.48 H new ATOM 152 N SER A 9 -26.695 4.500 11.860 1.00 13.73 N ATOM 153 CA SER A 9 -25.667 3.478 11.846 1.00 13.20 C ATOM 154 C SER A 9 -24.368 4.037 12.410 1.00 12.19 C ATOM 155 O SER A 9 -23.970 5.158 12.085 1.00 11.80 O ATOM 156 CB SER A 9 -25.452 2.966 10.417 1.00 13.42 C ATOM 157 OG SER A 9 -24.450 1.961 10.369 1.00 13.76 O ATOM 0 H SER A 9 -26.440 5.357 11.369 1.00 13.73 H new ATOM 0 HA SER A 9 -25.988 2.644 12.470 1.00 13.20 H new ATOM 0 HB2 SER A 9 -26.388 2.566 10.028 1.00 13.42 H new ATOM 0 HB3 SER A 9 -25.167 3.796 9.771 1.00 13.42 H new ATOM 0 HG SER A 9 -24.338 1.654 9.445 1.00 13.76 H new ATOM 163 N VAL A 10 -23.715 3.258 13.259 1.00 11.94 N ATOM 164 CA VAL A 10 -22.446 3.661 13.846 1.00 11.10 C ATOM 165 C VAL A 10 -21.278 3.176 12.992 1.00 10.38 C ATOM 166 O VAL A 10 -20.127 3.159 13.439 1.00 10.56 O ATOM 167 CB VAL A 10 -22.287 3.133 15.288 1.00 11.34 C ATOM 168 CG1 VAL A 10 -23.335 3.751 16.201 1.00 11.49 C ATOM 169 CG2 VAL A 10 -22.372 1.613 15.325 1.00 11.93 C ATOM 0 H VAL A 10 -24.044 2.340 13.558 1.00 11.94 H new ATOM 0 HA VAL A 10 -22.442 4.750 13.880 1.00 11.10 H new ATOM 0 HB VAL A 10 -21.300 3.424 15.648 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -23.208 3.367 17.213 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -23.219 4.835 16.207 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -24.330 3.494 15.838 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -22.257 1.267 16.352 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -23.341 1.293 14.941 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -21.579 1.189 14.708 1.00 11.93 H new ATOM 179 N ARG A 11 -21.583 2.784 11.762 1.00 9.76 N ATOM 180 CA ARG A 11 -20.565 2.334 10.828 1.00 9.19 C ATOM 181 C ARG A 11 -20.698 3.081 9.502 1.00 8.44 C ATOM 182 O ARG A 11 -21.286 2.567 8.550 1.00 8.32 O ATOM 183 CB ARG A 11 -20.690 0.828 10.590 1.00 9.37 C ATOM 184 CG ARG A 11 -19.546 0.238 9.781 1.00 9.61 C ATOM 185 CD ARG A 11 -19.830 -1.198 9.376 1.00 10.18 C ATOM 186 NE ARG A 11 -20.113 -2.054 10.529 1.00 10.69 N ATOM 187 CZ ARG A 11 -20.644 -3.273 10.435 1.00 11.43 C ATOM 188 NH1 ARG A 11 -20.952 -3.776 9.244 1.00 11.75 N ATOM 189 NH2 ARG A 11 -20.872 -3.985 11.533 1.00 12.04 N ATOM 0 H ARG A 11 -22.532 2.769 11.389 1.00 9.76 H new ATOM 0 HA ARG A 11 -19.585 2.543 11.257 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -20.741 0.320 11.553 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -21.629 0.628 10.074 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -19.381 0.842 8.889 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -18.628 0.277 10.367 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -20.679 -1.219 8.693 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -18.973 -1.596 8.832 1.00 10.18 H new ATOM 0 HE ARG A 11 -19.891 -1.697 11.458 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -20.782 -3.229 8.400 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -21.358 -4.709 9.174 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -20.641 -3.599 12.448 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -21.278 -4.918 11.461 1.00 12.04 H new ATOM 203 N PRO A 12 -20.173 4.315 9.430 1.00 8.19 N ATOM 204 CA PRO A 12 -20.182 5.110 8.195 1.00 7.75 C ATOM 205 C PRO A 12 -19.418 4.419 7.072 1.00 6.80 C ATOM 206 O PRO A 12 -19.790 4.535 5.900 1.00 6.68 O ATOM 207 CB PRO A 12 -19.473 6.410 8.594 1.00 8.08 C ATOM 208 CG PRO A 12 -19.570 6.466 10.078 1.00 8.79 C ATOM 209 CD PRO A 12 -19.546 5.043 10.544 1.00 8.66 C ATOM 0 HA PRO A 12 -21.192 5.263 7.816 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -18.433 6.408 8.267 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -19.950 7.276 8.135 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -18.740 7.030 10.503 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -20.487 6.964 10.391 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -18.529 4.697 10.730 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -20.101 4.914 11.473 1.00 8.66 H new ATOM 217 N PHE A 13 -18.368 3.688 7.441 1.00 6.42 N ATOM 218 CA PHE A 13 -17.543 2.957 6.484 1.00 5.76 C ATOM 219 C PHE A 13 -17.042 3.885 5.377 1.00 4.90 C ATOM 220 O PHE A 13 -17.436 3.772 4.214 1.00 4.75 O ATOM 221 CB PHE A 13 -18.324 1.771 5.896 1.00 6.03 C ATOM 222 CG PHE A 13 -17.478 0.840 5.070 1.00 7.08 C ATOM 223 CD1 PHE A 13 -16.484 0.077 5.664 1.00 7.73 C ATOM 224 CD2 PHE A 13 -17.678 0.725 3.704 1.00 7.67 C ATOM 225 CE1 PHE A 13 -15.705 -0.779 4.911 1.00 8.84 C ATOM 226 CE2 PHE A 13 -16.902 -0.130 2.947 1.00 8.79 C ATOM 227 CZ PHE A 13 -15.916 -0.883 3.551 1.00 9.33 C ATOM 0 H PHE A 13 -18.066 3.586 8.410 1.00 6.42 H new ATOM 0 HA PHE A 13 -16.673 2.565 7.010 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -18.780 1.208 6.710 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -19.137 2.153 5.279 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -16.317 0.153 6.728 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -18.449 1.311 3.226 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -14.932 -1.366 5.385 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -17.067 -0.209 1.883 1.00 8.79 H new ATOM 0 HZ PHE A 13 -15.310 -1.553 2.960 1.00 9.33 H new ATOM 237 N LYS A 14 -16.187 4.822 5.758 1.00 4.79 N ATOM 238 CA LYS A 14 -15.595 5.753 4.811 1.00 4.42 C ATOM 239 C LYS A 14 -14.084 5.753 4.975 1.00 3.77 C ATOM 240 O LYS A 14 -13.439 6.804 4.983 1.00 4.11 O ATOM 241 CB LYS A 14 -16.155 7.166 5.006 1.00 5.56 C ATOM 242 CG LYS A 14 -17.649 7.274 4.749 1.00 6.23 C ATOM 243 CD LYS A 14 -18.143 8.696 4.946 1.00 6.88 C ATOM 244 CE LYS A 14 -19.635 8.807 4.686 1.00 7.76 C ATOM 245 NZ LYS A 14 -20.123 10.200 4.852 1.00 8.26 N ATOM 0 H LYS A 14 -15.886 4.958 6.723 1.00 4.79 H new ATOM 0 HA LYS A 14 -15.848 5.432 3.800 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -15.946 7.492 6.025 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -15.631 7.850 4.339 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -17.869 6.948 3.733 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -18.185 6.604 5.422 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -17.925 9.021 5.963 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -17.605 9.366 4.275 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -19.854 8.463 3.675 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -20.173 8.150 5.369 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -21.146 10.234 4.666 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -19.937 10.519 5.824 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -19.628 10.823 4.182 1.00 8.26 H new ATOM 259 N GLN A 15 -13.531 4.559 5.133 1.00 3.29 N ATOM 260 CA GLN A 15 -12.097 4.381 5.274 1.00 3.10 C ATOM 261 C GLN A 15 -11.398 4.710 3.959 1.00 2.14 C ATOM 262 O GLN A 15 -10.324 5.314 3.945 1.00 2.46 O ATOM 263 CB GLN A 15 -11.797 2.941 5.704 1.00 3.83 C ATOM 264 CG GLN A 15 -10.322 2.639 5.917 1.00 4.82 C ATOM 265 CD GLN A 15 -10.094 1.220 6.400 1.00 5.82 C ATOM 266 OE1 GLN A 15 -10.865 0.309 6.089 1.00 6.53 O ATOM 267 NE2 GLN A 15 -9.038 1.018 7.169 1.00 6.14 N ATOM 0 H GLN A 15 -14.064 3.690 5.167 1.00 3.29 H new ATOM 0 HA GLN A 15 -11.721 5.059 6.040 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -12.335 2.732 6.629 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -12.188 2.261 4.948 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -9.782 2.795 4.983 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -9.910 3.339 6.644 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -8.423 1.796 7.405 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -8.839 0.084 7.526 1.00 6.14 H new ATOM 276 N ARG A 16 -12.027 4.327 2.856 1.00 1.86 N ATOM 277 CA ARG A 16 -11.491 4.619 1.537 1.00 1.88 C ATOM 278 C ARG A 16 -11.847 6.043 1.124 1.00 1.53 C ATOM 279 O ARG A 16 -12.887 6.579 1.516 1.00 1.61 O ATOM 280 CB ARG A 16 -12.016 3.617 0.502 1.00 2.83 C ATOM 281 CG ARG A 16 -13.518 3.691 0.268 1.00 3.53 C ATOM 282 CD ARG A 16 -13.985 2.618 -0.703 1.00 4.61 C ATOM 283 NE ARG A 16 -13.350 2.742 -2.016 1.00 5.06 N ATOM 284 CZ ARG A 16 -13.259 1.749 -2.899 1.00 6.06 C ATOM 285 NH1 ARG A 16 -13.763 0.549 -2.616 1.00 6.69 N ATOM 286 NH2 ARG A 16 -12.667 1.955 -4.069 1.00 6.68 N ATOM 0 H ARG A 16 -12.908 3.814 2.850 1.00 1.86 H new ATOM 0 HA ARG A 16 -10.406 4.528 1.581 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -11.503 3.787 -0.445 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -11.759 2.609 0.826 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -14.041 3.576 1.217 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -13.778 4.675 -0.123 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -13.765 1.635 -0.287 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -15.067 2.681 -0.818 1.00 4.61 H new ATOM 0 HE ARG A 16 -12.952 3.646 -2.271 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -14.221 0.387 -1.719 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -13.691 -0.208 -3.296 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -12.282 2.873 -4.291 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -12.597 1.195 -4.746 1.00 6.68 H new ATOM 300 N LYS A 17 -10.972 6.657 0.345 1.00 1.34 N ATOM 301 CA LYS A 17 -11.188 8.016 -0.127 1.00 1.09 C ATOM 302 C LYS A 17 -11.196 8.047 -1.647 1.00 1.00 C ATOM 303 O LYS A 17 -10.630 7.160 -2.291 1.00 1.08 O ATOM 304 CB LYS A 17 -10.092 8.936 0.410 1.00 1.13 C ATOM 305 CG LYS A 17 -9.981 8.927 1.925 1.00 1.70 C ATOM 306 CD LYS A 17 -8.874 9.845 2.409 1.00 2.23 C ATOM 307 CE LYS A 17 -8.690 9.745 3.914 1.00 3.20 C ATOM 308 NZ LYS A 17 -9.914 10.134 4.660 1.00 3.96 N ATOM 0 H LYS A 17 -10.101 6.234 0.024 1.00 1.34 H new ATOM 0 HA LYS A 17 -12.154 8.366 0.237 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.135 8.637 -0.018 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -10.287 9.954 0.074 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -10.930 9.238 2.362 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -9.789 7.911 2.270 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -7.941 9.587 1.909 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -9.108 10.874 2.137 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -8.417 8.723 4.177 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -7.862 10.385 4.220 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -9.697 10.197 5.675 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -10.249 11.058 4.320 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -10.655 9.420 4.509 1.00 3.96 H new ATOM 322 N SER A 18 -11.832 9.063 -2.215 1.00 0.92 N ATOM 323 CA SER A 18 -11.904 9.206 -3.660 1.00 0.91 C ATOM 324 C SER A 18 -10.534 9.549 -4.223 1.00 0.80 C ATOM 325 O SER A 18 -9.648 9.954 -3.471 1.00 0.72 O ATOM 326 CB SER A 18 -12.905 10.296 -4.040 1.00 0.97 C ATOM 327 OG SER A 18 -12.458 11.574 -3.624 1.00 0.91 O ATOM 0 H SER A 18 -12.306 9.801 -1.694 1.00 0.92 H new ATOM 0 HA SER A 18 -12.237 8.258 -4.083 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.055 10.295 -5.120 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.871 10.080 -3.584 1.00 0.97 H new ATOM 0 HG SER A 18 -13.118 12.251 -3.882 1.00 0.91 H new ATOM 333 N LEU A 19 -10.362 9.413 -5.529 1.00 0.83 N ATOM 334 CA LEU A 19 -9.076 9.684 -6.156 1.00 0.79 C ATOM 335 C LEU A 19 -8.635 11.111 -5.851 1.00 0.74 C ATOM 336 O LEU A 19 -7.495 11.362 -5.454 1.00 0.66 O ATOM 337 CB LEU A 19 -9.174 9.473 -7.670 1.00 0.91 C ATOM 338 CG LEU A 19 -7.960 9.938 -8.469 1.00 0.95 C ATOM 339 CD1 LEU A 19 -6.734 9.109 -8.114 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.242 9.867 -9.960 1.00 1.11 C ATOM 0 H LEU A 19 -11.094 9.117 -6.175 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.335 8.994 -5.753 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.332 8.412 -7.864 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.055 9.999 -8.038 1.00 0.91 H new ATOM 0 HG LEU A 19 -7.756 10.977 -8.209 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -5.879 9.456 -8.694 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.518 9.216 -7.051 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -6.925 8.060 -8.342 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -7.364 10.203 -10.513 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.475 8.839 -10.238 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.090 10.508 -10.201 1.00 1.11 H new ATOM 352 N ALA A 20 -9.567 12.030 -6.025 1.00 0.80 N ATOM 353 CA ALA A 20 -9.348 13.432 -5.719 1.00 0.81 C ATOM 354 C ALA A 20 -8.925 13.644 -4.268 1.00 0.72 C ATOM 355 O ALA A 20 -7.950 14.345 -3.998 1.00 0.71 O ATOM 356 CB ALA A 20 -10.608 14.222 -6.026 1.00 0.94 C ATOM 0 H ALA A 20 -10.500 11.825 -6.383 1.00 0.80 H new ATOM 0 HA ALA A 20 -8.530 13.789 -6.345 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.443 15.275 -5.796 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -10.856 14.116 -7.082 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.431 13.843 -5.421 1.00 0.94 H new ATOM 362 N ILE A 21 -9.644 13.033 -3.334 1.00 0.71 N ATOM 363 CA ILE A 21 -9.307 13.191 -1.925 1.00 0.69 C ATOM 364 C ILE A 21 -7.963 12.533 -1.612 1.00 0.56 C ATOM 365 O ILE A 21 -7.234 12.983 -0.730 1.00 0.53 O ATOM 366 CB ILE A 21 -10.393 12.618 -0.992 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.734 13.314 -1.244 1.00 0.97 C ATOM 368 CG2 ILE A 21 -9.973 12.789 0.461 1.00 0.88 C ATOM 369 CD1 ILE A 21 -12.873 12.759 -0.415 1.00 1.64 C ATOM 0 H ILE A 21 -10.449 12.435 -3.521 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.241 14.263 -1.740 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.512 11.555 -1.202 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.627 14.378 -1.032 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -11.987 13.224 -2.300 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.745 12.382 1.113 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -9.036 12.260 0.634 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.836 13.848 0.678 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -13.790 13.301 -0.647 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -13.008 11.702 -0.644 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -12.642 12.874 0.644 1.00 1.64 H new ATOM 381 N ARG A 22 -7.623 11.484 -2.355 1.00 0.52 N ATOM 382 CA ARG A 22 -6.341 10.809 -2.169 1.00 0.44 C ATOM 383 C ARG A 22 -5.216 11.751 -2.545 1.00 0.40 C ATOM 384 O ARG A 22 -4.190 11.810 -1.871 1.00 0.39 O ATOM 385 CB ARG A 22 -6.259 9.537 -3.013 1.00 0.45 C ATOM 386 CG ARG A 22 -7.249 8.460 -2.612 1.00 0.71 C ATOM 387 CD ARG A 22 -7.145 7.251 -3.526 1.00 1.22 C ATOM 388 NE ARG A 22 -8.249 6.314 -3.326 1.00 1.53 N ATOM 389 CZ ARG A 22 -8.170 5.005 -3.559 1.00 2.00 C ATOM 390 NH1 ARG A 22 -7.019 4.462 -3.940 1.00 2.59 N ATOM 391 NH2 ARG A 22 -9.242 4.240 -3.401 1.00 2.26 N ATOM 0 H ARG A 22 -8.211 11.085 -3.086 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.249 10.524 -1.121 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.425 9.797 -4.058 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.250 9.132 -2.942 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -7.064 8.157 -1.581 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -8.262 8.861 -2.649 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -7.135 7.582 -4.564 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -6.199 6.740 -3.345 1.00 1.22 H new ATOM 0 HE ARG A 22 -9.136 6.686 -2.987 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.192 5.048 -4.055 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -6.962 3.459 -4.118 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -10.125 4.654 -3.102 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -9.184 3.237 -3.579 1.00 2.26 H new ATOM 405 N GLN A 23 -5.440 12.512 -3.606 1.00 0.46 N ATOM 406 CA GLN A 23 -4.490 13.520 -4.047 1.00 0.51 C ATOM 407 C GLN A 23 -4.271 14.539 -2.934 1.00 0.50 C ATOM 408 O GLN A 23 -3.151 15.007 -2.711 1.00 0.52 O ATOM 409 CB GLN A 23 -5.020 14.227 -5.296 1.00 0.68 C ATOM 410 CG GLN A 23 -4.042 15.222 -5.902 1.00 1.29 C ATOM 411 CD GLN A 23 -2.970 14.552 -6.734 1.00 1.51 C ATOM 412 OE1 GLN A 23 -3.213 13.531 -7.376 1.00 2.16 O ATOM 413 NE2 GLN A 23 -1.775 15.109 -6.718 1.00 1.97 N ATOM 0 H GLN A 23 -6.280 12.448 -4.181 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.543 13.037 -4.287 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -5.273 13.478 -6.046 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -5.943 14.748 -5.043 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.589 15.931 -6.524 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -3.571 15.795 -5.103 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -1.614 15.956 -6.173 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -1.011 14.693 -7.251 1.00 1.97 H new ATOM 422 N GLU A 24 -5.351 14.874 -2.233 1.00 0.53 N ATOM 423 CA GLU A 24 -5.291 15.837 -1.144 1.00 0.59 C ATOM 424 C GLU A 24 -4.643 15.212 0.089 1.00 0.55 C ATOM 425 O GLU A 24 -3.988 15.901 0.872 1.00 0.54 O ATOM 426 CB GLU A 24 -6.689 16.328 -0.793 1.00 0.71 C ATOM 427 CG GLU A 24 -6.709 17.675 -0.097 1.00 1.20 C ATOM 428 CD GLU A 24 -6.317 18.804 -1.024 1.00 2.01 C ATOM 429 OE1 GLU A 24 -7.171 19.225 -1.837 1.00 2.49 O ATOM 430 OE2 GLU A 24 -5.162 19.274 -0.949 1.00 2.83 O ATOM 0 H GLU A 24 -6.280 14.489 -2.403 1.00 0.53 H new ATOM 0 HA GLU A 24 -4.687 16.683 -1.471 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.281 16.393 -1.706 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.172 15.591 -0.151 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.707 17.862 0.299 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -6.028 17.653 0.754 1.00 1.20 H new ATOM 437 N GLU A 25 -4.835 13.909 0.267 1.00 0.56 N ATOM 438 CA GLU A 25 -4.253 13.216 1.405 1.00 0.56 C ATOM 439 C GLU A 25 -2.746 13.180 1.261 1.00 0.49 C ATOM 440 O GLU A 25 -2.018 13.531 2.186 1.00 0.50 O ATOM 441 CB GLU A 25 -4.793 11.793 1.519 1.00 0.62 C ATOM 442 CG GLU A 25 -4.347 11.089 2.793 1.00 1.29 C ATOM 443 CD GLU A 25 -5.128 9.825 3.087 1.00 1.57 C ATOM 444 OE1 GLU A 25 -5.259 8.976 2.186 1.00 2.30 O ATOM 445 OE2 GLU A 25 -5.619 9.680 4.230 1.00 1.87 O ATOM 0 H GLU A 25 -5.384 13.318 -0.357 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.525 13.757 2.311 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -5.882 11.820 1.487 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.463 11.215 0.656 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -3.288 10.842 2.711 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -4.451 11.775 3.634 1.00 1.29 H new ATOM 452 N VAL A 26 -2.283 12.788 0.079 1.00 0.44 N ATOM 453 CA VAL A 26 -0.860 12.813 -0.222 1.00 0.42 C ATOM 454 C VAL A 26 -0.329 14.231 -0.080 1.00 0.44 C ATOM 455 O VAL A 26 0.775 14.447 0.422 1.00 0.46 O ATOM 456 CB VAL A 26 -0.559 12.310 -1.648 1.00 0.43 C ATOM 457 CG1 VAL A 26 0.935 12.151 -1.846 1.00 1.21 C ATOM 458 CG2 VAL A 26 -1.263 10.997 -1.920 1.00 0.85 C ATOM 0 H VAL A 26 -2.872 12.451 -0.683 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.368 12.146 0.486 1.00 0.42 H new ATOM 0 HB VAL A 26 -0.933 13.052 -2.354 1.00 0.43 H new ATOM 0 HG11 VAL A 26 1.132 11.795 -2.857 1.00 1.21 H new ATOM 0 HG12 VAL A 26 1.426 13.113 -1.697 1.00 1.21 H new ATOM 0 HG13 VAL A 26 1.323 11.430 -1.126 1.00 1.21 H new ATOM 0 HG21 VAL A 26 -1.034 10.664 -2.932 1.00 0.85 H new ATOM 0 HG22 VAL A 26 -0.923 10.247 -1.206 1.00 0.85 H new ATOM 0 HG23 VAL A 26 -2.340 11.133 -1.818 1.00 0.85 H new ATOM 468 N ALA A 27 -1.140 15.191 -0.513 1.00 0.46 N ATOM 469 CA ALA A 27 -0.807 16.603 -0.392 1.00 0.51 C ATOM 470 C ALA A 27 -0.577 16.979 1.066 1.00 0.54 C ATOM 471 O ALA A 27 0.412 17.633 1.402 1.00 0.59 O ATOM 472 CB ALA A 27 -1.925 17.450 -0.983 1.00 0.55 C ATOM 0 H ALA A 27 -2.042 15.012 -0.955 1.00 0.46 H new ATOM 0 HA ALA A 27 0.114 16.792 -0.943 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.670 18.506 -0.889 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.053 17.200 -2.036 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.853 17.252 -0.447 1.00 0.55 H new ATOM 478 N GLY A 28 -1.487 16.549 1.926 1.00 0.54 N ATOM 479 CA GLY A 28 -1.368 16.834 3.340 1.00 0.59 C ATOM 480 C GLY A 28 -0.222 16.084 3.988 1.00 0.58 C ATOM 481 O GLY A 28 0.560 16.668 4.740 1.00 0.65 O ATOM 0 H GLY A 28 -2.310 16.005 1.668 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.223 17.905 3.481 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.300 16.570 3.840 1.00 0.59 H new ATOM 485 N ILE A 29 -0.121 14.795 3.685 1.00 0.52 N ATOM 486 CA ILE A 29 0.908 13.937 4.266 1.00 0.53 C ATOM 487 C ILE A 29 2.307 14.420 3.896 1.00 0.53 C ATOM 488 O ILE A 29 3.148 14.614 4.768 1.00 0.58 O ATOM 489 CB ILE A 29 0.744 12.469 3.811 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.595 11.908 4.294 1.00 0.53 C ATOM 491 CG2 ILE A 29 1.896 11.616 4.334 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.943 10.566 3.687 1.00 0.53 C ATOM 0 H ILE A 29 -0.744 14.317 3.035 1.00 0.52 H new ATOM 0 HA ILE A 29 0.785 13.990 5.348 1.00 0.53 H new ATOM 0 HB ILE A 29 0.760 12.441 2.721 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.569 11.811 5.379 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.385 12.621 4.057 1.00 0.53 H new ATOM 0 HG21 ILE A 29 1.765 10.585 4.004 1.00 0.57 H new ATOM 0 HG22 ILE A 29 2.839 12.003 3.948 1.00 0.57 H new ATOM 0 HG23 ILE A 29 1.908 11.650 5.423 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.905 10.230 4.075 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -1.002 10.661 2.603 1.00 0.53 H new ATOM 0 HD13 ILE A 29 -0.173 9.839 3.946 1.00 0.53 H new ATOM 504 N ARG A 30 2.544 14.633 2.608 1.00 0.53 N ATOM 505 CA ARG A 30 3.871 15.011 2.133 1.00 0.59 C ATOM 506 C ARG A 30 4.253 16.408 2.617 1.00 0.67 C ATOM 507 O ARG A 30 5.430 16.705 2.826 1.00 0.74 O ATOM 508 CB ARG A 30 3.935 14.939 0.606 1.00 0.66 C ATOM 509 CG ARG A 30 5.315 15.233 0.044 1.00 1.04 C ATOM 510 CD ARG A 30 5.347 15.112 -1.469 1.00 1.50 C ATOM 511 NE ARG A 30 6.675 15.407 -2.000 1.00 1.96 N ATOM 512 CZ ARG A 30 6.979 15.445 -3.294 1.00 2.66 C ATOM 513 NH1 ARG A 30 6.051 15.214 -4.214 1.00 3.06 N ATOM 514 NH2 ARG A 30 8.219 15.725 -3.669 1.00 3.31 N ATOM 0 H ARG A 30 1.839 14.551 1.876 1.00 0.53 H new ATOM 0 HA ARG A 30 4.589 14.303 2.547 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.624 13.945 0.283 1.00 0.66 H new ATOM 0 HB3 ARG A 30 3.222 15.648 0.186 1.00 0.66 H new ATOM 0 HG2 ARG A 30 5.619 16.239 0.334 1.00 1.04 H new ATOM 0 HG3 ARG A 30 6.039 14.544 0.479 1.00 1.04 H new ATOM 0 HD2 ARG A 30 5.053 14.104 -1.761 1.00 1.50 H new ATOM 0 HD3 ARG A 30 4.619 15.796 -1.906 1.00 1.50 H new ATOM 0 HE ARG A 30 7.422 15.597 -1.332 1.00 1.96 H new ATOM 0 HH11 ARG A 30 5.094 15.005 -3.931 1.00 3.06 H new ATOM 0 HH12 ARG A 30 6.295 15.246 -5.204 1.00 3.06 H new ATOM 0 HH21 ARG A 30 8.935 15.910 -2.966 1.00 3.31 H new ATOM 0 HH22 ARG A 30 8.457 15.755 -4.660 1.00 3.31 H new ATOM 528 N ALA A 31 3.256 17.265 2.799 1.00 0.69 N ATOM 529 CA ALA A 31 3.495 18.609 3.311 1.00 0.81 C ATOM 530 C ALA A 31 3.786 18.580 4.806 1.00 0.80 C ATOM 531 O ALA A 31 4.446 19.474 5.340 1.00 0.90 O ATOM 532 CB ALA A 31 2.304 19.505 3.028 1.00 0.91 C ATOM 0 H ALA A 31 2.278 17.055 2.601 1.00 0.69 H new ATOM 0 HA ALA A 31 4.369 19.013 2.800 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.500 20.504 3.417 1.00 0.91 H new ATOM 0 HB2 ALA A 31 2.138 19.561 1.952 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.417 19.095 3.511 1.00 0.91 H new ATOM 538 N LYS A 32 3.287 17.555 5.478 1.00 0.71 N ATOM 539 CA LYS A 32 3.464 17.426 6.914 1.00 0.74 C ATOM 540 C LYS A 32 4.724 16.624 7.229 1.00 0.67 C ATOM 541 O LYS A 32 5.431 16.908 8.196 1.00 0.67 O ATOM 542 CB LYS A 32 2.231 16.766 7.539 1.00 0.78 C ATOM 543 CG LYS A 32 2.191 16.844 9.057 1.00 1.55 C ATOM 544 CD LYS A 32 0.887 16.283 9.607 1.00 1.87 C ATOM 545 CE LYS A 32 0.797 16.451 11.115 1.00 2.30 C ATOM 546 NZ LYS A 32 1.861 15.693 11.825 1.00 3.00 N ATOM 0 H LYS A 32 2.754 16.798 5.049 1.00 0.71 H new ATOM 0 HA LYS A 32 3.580 18.421 7.343 1.00 0.74 H new ATOM 0 HB2 LYS A 32 1.335 17.239 7.137 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.200 15.719 7.238 1.00 0.78 H new ATOM 0 HG2 LYS A 32 3.032 16.290 9.474 1.00 1.55 H new ATOM 0 HG3 LYS A 32 2.305 17.881 9.373 1.00 1.55 H new ATOM 0 HD2 LYS A 32 0.045 16.787 9.133 1.00 1.87 H new ATOM 0 HD3 LYS A 32 0.809 15.226 9.353 1.00 1.87 H new ATOM 0 HE2 LYS A 32 0.876 17.509 11.367 1.00 2.30 H new ATOM 0 HE3 LYS A 32 -0.180 16.113 11.460 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 1.457 15.231 12.664 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 2.256 14.971 11.189 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 2.615 16.346 12.119 1.00 3.00 H new ATOM 560 N PHE A 33 5.000 15.626 6.403 1.00 0.62 N ATOM 561 CA PHE A 33 6.186 14.794 6.563 1.00 0.56 C ATOM 562 C PHE A 33 6.951 14.695 5.246 1.00 0.50 C ATOM 563 O PHE A 33 6.792 13.728 4.507 1.00 0.47 O ATOM 564 CB PHE A 33 5.803 13.384 7.026 1.00 0.56 C ATOM 565 CG PHE A 33 5.059 13.346 8.329 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.739 13.448 9.531 1.00 1.42 C ATOM 567 CD2 PHE A 33 3.682 13.199 8.351 1.00 1.21 C ATOM 568 CE1 PHE A 33 5.058 13.404 10.731 1.00 1.49 C ATOM 569 CE2 PHE A 33 2.997 13.155 9.548 1.00 1.30 C ATOM 570 CZ PHE A 33 3.685 13.257 10.740 1.00 0.93 C ATOM 0 H PHE A 33 4.414 15.370 5.608 1.00 0.62 H new ATOM 0 HA PHE A 33 6.819 15.260 7.318 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.190 12.915 6.256 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.709 12.786 7.120 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.813 13.563 9.530 1.00 1.42 H new ATOM 0 HD2 PHE A 33 3.139 13.118 7.421 1.00 1.21 H new ATOM 0 HE1 PHE A 33 5.599 13.485 11.662 1.00 1.49 H new ATOM 0 HE2 PHE A 33 1.923 13.041 9.552 1.00 1.30 H new ATOM 0 HZ PHE A 33 3.151 13.222 11.678 1.00 0.93 H new ATOM 580 N PRO A 34 7.797 15.690 4.936 1.00 0.55 N ATOM 581 CA PRO A 34 8.570 15.706 3.687 1.00 0.55 C ATOM 582 C PRO A 34 9.577 14.561 3.608 1.00 0.48 C ATOM 583 O PRO A 34 9.951 14.121 2.517 1.00 0.52 O ATOM 584 CB PRO A 34 9.301 17.048 3.731 1.00 0.68 C ATOM 585 CG PRO A 34 9.328 17.431 5.170 1.00 0.74 C ATOM 586 CD PRO A 34 8.065 16.877 5.766 1.00 0.66 C ATOM 0 HA PRO A 34 7.926 15.583 2.816 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.310 16.960 3.328 1.00 0.68 H new ATOM 0 HB3 PRO A 34 8.783 17.798 3.133 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.207 17.021 5.667 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.372 18.514 5.285 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.196 16.614 6.816 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.247 17.596 5.717 1.00 0.66 H new ATOM 594 N ASN A 35 10.005 14.078 4.764 1.00 0.44 N ATOM 595 CA ASN A 35 11.000 13.014 4.830 1.00 0.44 C ATOM 596 C ASN A 35 10.351 11.639 4.735 1.00 0.38 C ATOM 597 O ASN A 35 11.043 10.623 4.652 1.00 0.43 O ATOM 598 CB ASN A 35 11.802 13.105 6.127 1.00 0.54 C ATOM 599 CG ASN A 35 12.698 14.327 6.182 1.00 1.32 C ATOM 600 OD1 ASN A 35 13.148 14.831 5.153 1.00 2.16 O ATOM 601 ND2 ASN A 35 12.972 14.808 7.385 1.00 1.83 N ATOM 0 H ASN A 35 9.679 14.406 5.673 1.00 0.44 H new ATOM 0 HA ASN A 35 11.669 13.144 3.979 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.115 13.126 6.973 1.00 0.54 H new ATOM 0 HB3 ASN A 35 12.412 12.208 6.235 1.00 0.54 H new ATOM 0 HD21 ASN A 35 13.575 15.625 7.482 1.00 1.83 H new ATOM 0 HD22 ASN A 35 12.580 14.362 8.214 1.00 1.83 H new ATOM 608 N LYS A 36 9.029 11.604 4.762 1.00 0.36 N ATOM 609 CA LYS A 36 8.306 10.344 4.674 1.00 0.40 C ATOM 610 C LYS A 36 7.391 10.312 3.459 1.00 0.36 C ATOM 611 O LYS A 36 6.851 11.333 3.040 1.00 0.56 O ATOM 612 CB LYS A 36 7.506 10.078 5.951 1.00 0.54 C ATOM 613 CG LYS A 36 8.384 9.742 7.145 1.00 0.89 C ATOM 614 CD LYS A 36 7.566 9.389 8.374 1.00 1.58 C ATOM 615 CE LYS A 36 8.458 8.914 9.513 1.00 1.56 C ATOM 616 NZ LYS A 36 9.456 9.944 9.903 1.00 2.03 N ATOM 0 H LYS A 36 8.436 12.430 4.844 1.00 0.36 H new ATOM 0 HA LYS A 36 9.046 9.552 4.560 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.905 10.956 6.185 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.813 9.255 5.774 1.00 0.54 H new ATOM 0 HG2 LYS A 36 9.036 8.906 6.891 1.00 0.89 H new ATOM 0 HG3 LYS A 36 9.029 10.591 7.371 1.00 0.89 H new ATOM 0 HD2 LYS A 36 6.994 10.259 8.696 1.00 1.58 H new ATOM 0 HD3 LYS A 36 6.846 8.610 8.123 1.00 1.58 H new ATOM 0 HE2 LYS A 36 7.841 8.661 10.376 1.00 1.56 H new ATOM 0 HE3 LYS A 36 8.975 8.003 9.213 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 9.940 9.646 10.774 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 10.154 10.057 9.141 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 8.973 10.850 10.067 1.00 2.03 H new ATOM 630 N ILE A 37 7.244 9.128 2.894 1.00 0.26 N ATOM 631 CA ILE A 37 6.409 8.925 1.726 1.00 0.27 C ATOM 632 C ILE A 37 5.256 7.988 2.072 1.00 0.24 C ATOM 633 O ILE A 37 5.469 6.926 2.659 1.00 0.26 O ATOM 634 CB ILE A 37 7.236 8.337 0.561 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.432 9.247 0.260 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.372 8.155 -0.682 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.359 8.710 -0.807 1.00 0.58 C ATOM 0 H ILE A 37 7.700 8.281 3.232 1.00 0.26 H new ATOM 0 HA ILE A 37 6.008 9.889 1.412 1.00 0.27 H new ATOM 0 HB ILE A 37 7.605 7.355 0.857 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.063 10.224 -0.052 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.000 9.399 1.178 1.00 0.42 H new ATOM 0 HG21 ILE A 37 6.977 7.740 -1.488 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.550 7.475 -0.458 1.00 0.45 H new ATOM 0 HG23 ILE A 37 5.970 9.120 -0.990 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.179 9.411 -0.962 1.00 0.58 H new ATOM 0 HD12 ILE A 37 9.759 7.747 -0.490 1.00 0.58 H new ATOM 0 HD13 ILE A 37 8.807 8.585 -1.739 1.00 0.58 H new ATOM 649 N PRO A 38 4.017 8.386 1.751 1.00 0.27 N ATOM 650 CA PRO A 38 2.836 7.566 2.017 1.00 0.30 C ATOM 651 C PRO A 38 2.715 6.384 1.055 1.00 0.25 C ATOM 652 O PRO A 38 2.454 6.553 -0.140 1.00 0.26 O ATOM 653 CB PRO A 38 1.679 8.544 1.820 1.00 0.44 C ATOM 654 CG PRO A 38 2.194 9.562 0.860 1.00 0.53 C ATOM 655 CD PRO A 38 3.671 9.673 1.118 1.00 0.36 C ATOM 0 HA PRO A 38 2.866 7.115 3.009 1.00 0.30 H new ATOM 0 HB2 PRO A 38 0.798 8.039 1.425 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.386 9.004 2.764 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.000 9.260 -0.169 1.00 0.53 H new ATOM 0 HG3 PRO A 38 1.700 10.522 1.008 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.228 9.826 0.194 1.00 0.36 H new ATOM 0 HD3 PRO A 38 3.901 10.515 1.772 1.00 0.36 H new ATOM 663 N VAL A 39 2.911 5.188 1.584 1.00 0.23 N ATOM 664 CA VAL A 39 2.819 3.976 0.787 1.00 0.22 C ATOM 665 C VAL A 39 1.556 3.192 1.147 1.00 0.22 C ATOM 666 O VAL A 39 1.195 3.073 2.321 1.00 0.25 O ATOM 667 CB VAL A 39 4.076 3.090 0.970 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.268 2.707 2.429 1.00 1.39 C ATOM 669 CG2 VAL A 39 3.998 1.848 0.097 1.00 1.28 C ATOM 0 H VAL A 39 3.136 5.030 2.566 1.00 0.23 H new ATOM 0 HA VAL A 39 2.762 4.268 -0.262 1.00 0.22 H new ATOM 0 HB VAL A 39 4.941 3.674 0.656 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.158 2.085 2.528 1.00 1.39 H new ATOM 0 HG12 VAL A 39 4.387 3.609 3.029 1.00 1.39 H new ATOM 0 HG13 VAL A 39 3.397 2.152 2.777 1.00 1.39 H new ATOM 0 HG21 VAL A 39 4.893 1.243 0.244 1.00 1.28 H new ATOM 0 HG22 VAL A 39 3.118 1.266 0.370 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.928 2.143 -0.950 1.00 1.28 H new ATOM 679 N VAL A 40 0.873 2.688 0.128 1.00 0.26 N ATOM 680 CA VAL A 40 -0.336 1.902 0.321 1.00 0.28 C ATOM 681 C VAL A 40 -0.064 0.450 -0.034 1.00 0.28 C ATOM 682 O VAL A 40 0.312 0.141 -1.166 1.00 0.34 O ATOM 683 CB VAL A 40 -1.504 2.419 -0.549 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.810 1.747 -0.150 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.623 3.933 -0.455 1.00 0.40 C ATOM 0 H VAL A 40 1.140 2.812 -0.849 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.623 1.993 1.369 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.293 2.163 -1.587 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.619 2.125 -0.775 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.721 0.669 -0.285 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -3.027 1.965 0.896 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.452 4.272 -1.076 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.804 4.220 0.581 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.698 4.393 -0.802 1.00 0.40 H new ATOM 695 N VAL A 41 -0.238 -0.437 0.928 1.00 0.30 N ATOM 696 CA VAL A 41 0.032 -1.846 0.709 1.00 0.32 C ATOM 697 C VAL A 41 -1.255 -2.600 0.397 1.00 0.44 C ATOM 698 O VAL A 41 -2.201 -2.600 1.189 1.00 0.64 O ATOM 699 CB VAL A 41 0.728 -2.488 1.926 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.152 -3.914 1.609 1.00 0.50 C ATOM 701 CG2 VAL A 41 1.925 -1.655 2.357 1.00 1.03 C ATOM 0 H VAL A 41 -0.564 -0.208 1.867 1.00 0.30 H new ATOM 0 HA VAL A 41 0.705 -1.915 -0.146 1.00 0.32 H new ATOM 0 HB VAL A 41 0.017 -2.519 2.752 1.00 0.47 H new ATOM 0 HG11 VAL A 41 1.641 -4.350 2.480 1.00 0.50 H new ATOM 0 HG12 VAL A 41 0.274 -4.506 1.352 1.00 0.50 H new ATOM 0 HG13 VAL A 41 1.845 -3.909 0.768 1.00 0.50 H new ATOM 0 HG21 VAL A 41 2.404 -2.123 3.217 1.00 1.03 H new ATOM 0 HG22 VAL A 41 2.638 -1.591 1.535 1.00 1.03 H new ATOM 0 HG23 VAL A 41 1.592 -0.653 2.628 1.00 1.03 H new ATOM 711 N GLU A 42 -1.284 -3.232 -0.763 1.00 0.44 N ATOM 712 CA GLU A 42 -2.452 -3.964 -1.207 1.00 0.64 C ATOM 713 C GLU A 42 -2.153 -5.460 -1.234 1.00 0.47 C ATOM 714 O GLU A 42 -1.055 -5.879 -1.602 1.00 0.36 O ATOM 715 CB GLU A 42 -2.879 -3.479 -2.594 1.00 0.94 C ATOM 716 CG GLU A 42 -4.209 -4.049 -3.057 1.00 1.44 C ATOM 717 CD GLU A 42 -5.335 -3.753 -2.090 1.00 1.67 C ATOM 718 OE1 GLU A 42 -5.975 -2.688 -2.218 1.00 2.43 O ATOM 719 OE2 GLU A 42 -5.586 -4.589 -1.193 1.00 1.86 O ATOM 0 H GLU A 42 -0.503 -3.251 -1.418 1.00 0.44 H new ATOM 0 HA GLU A 42 -3.270 -3.785 -0.509 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -2.943 -2.391 -2.585 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -2.108 -3.747 -3.316 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.457 -3.636 -4.035 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -4.115 -5.128 -3.181 1.00 1.44 H new ATOM 726 N ARG A 43 -3.128 -6.259 -0.822 1.00 0.54 N ATOM 727 CA ARG A 43 -2.978 -7.706 -0.820 1.00 0.47 C ATOM 728 C ARG A 43 -3.128 -8.230 -2.239 1.00 0.50 C ATOM 729 O ARG A 43 -4.103 -7.913 -2.924 1.00 0.60 O ATOM 730 CB ARG A 43 -4.021 -8.353 0.097 1.00 0.64 C ATOM 731 CG ARG A 43 -4.029 -7.787 1.508 1.00 1.11 C ATOM 732 CD ARG A 43 -5.071 -8.468 2.381 1.00 1.08 C ATOM 733 NE ARG A 43 -4.692 -9.837 2.732 1.00 1.40 N ATOM 734 CZ ARG A 43 -5.540 -10.867 2.753 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.799 -10.712 2.357 1.00 1.49 N ATOM 736 NH2 ARG A 43 -5.128 -12.059 3.162 1.00 2.32 N ATOM 0 H ARG A 43 -4.032 -5.928 -0.485 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.988 -7.961 -0.443 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -5.010 -8.222 -0.343 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -3.833 -9.426 0.146 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -3.043 -7.910 1.955 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -4.230 -6.716 1.470 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -5.213 -7.888 3.293 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -6.027 -8.481 1.858 1.00 1.08 H new ATOM 0 HE ARG A 43 -3.718 -10.015 2.976 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -7.123 -9.801 2.034 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -7.441 -11.504 2.376 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -4.162 -12.190 3.461 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -5.777 -12.845 3.178 1.00 2.32 H new ATOM 750 N TYR A 44 -2.157 -9.020 -2.683 1.00 0.51 N ATOM 751 CA TYR A 44 -2.136 -9.520 -4.051 1.00 0.65 C ATOM 752 C TYR A 44 -3.406 -10.314 -4.353 1.00 0.80 C ATOM 753 O TYR A 44 -3.834 -11.136 -3.547 1.00 0.91 O ATOM 754 CB TYR A 44 -0.901 -10.393 -4.271 1.00 0.80 C ATOM 755 CG TYR A 44 -0.485 -10.489 -5.720 1.00 0.93 C ATOM 756 CD1 TYR A 44 0.129 -9.418 -6.344 1.00 1.45 C ATOM 757 CD2 TYR A 44 -0.717 -11.636 -6.465 1.00 1.61 C ATOM 758 CE1 TYR A 44 0.501 -9.475 -7.666 1.00 1.53 C ATOM 759 CE2 TYR A 44 -0.348 -11.706 -7.795 1.00 1.74 C ATOM 760 CZ TYR A 44 0.262 -10.621 -8.392 1.00 1.23 C ATOM 761 OH TYR A 44 0.628 -10.686 -9.719 1.00 1.40 O ATOM 0 H TYR A 44 -1.371 -9.329 -2.111 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.093 -8.669 -4.731 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.072 -9.991 -3.689 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.101 -11.395 -3.891 1.00 0.80 H new ATOM 0 HD1 TYR A 44 0.320 -8.517 -5.780 1.00 1.45 H new ATOM 0 HD2 TYR A 44 -1.193 -12.486 -5.999 1.00 1.61 H new ATOM 0 HE1 TYR A 44 0.978 -8.626 -8.133 1.00 1.53 H new ATOM 0 HE2 TYR A 44 -0.536 -12.604 -8.364 1.00 1.74 H new ATOM 0 HH TYR A 44 0.389 -11.564 -10.082 1.00 1.40 H new ATOM 771 N PRO A 45 -4.031 -10.051 -5.517 1.00 0.96 N ATOM 772 CA PRO A 45 -5.295 -10.692 -5.925 1.00 1.22 C ATOM 773 C PRO A 45 -5.231 -12.219 -5.963 1.00 1.26 C ATOM 774 O PRO A 45 -6.260 -12.885 -5.901 1.00 1.48 O ATOM 775 CB PRO A 45 -5.536 -10.146 -7.335 1.00 1.41 C ATOM 776 CG PRO A 45 -4.785 -8.865 -7.383 1.00 1.32 C ATOM 777 CD PRO A 45 -3.574 -9.070 -6.523 1.00 1.05 C ATOM 0 HA PRO A 45 -6.087 -10.470 -5.210 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -5.179 -10.842 -8.094 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -6.598 -9.988 -7.521 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -4.501 -8.616 -8.406 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -5.394 -8.041 -7.012 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -2.731 -9.449 -7.100 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -3.249 -8.139 -6.058 1.00 1.05 H new ATOM 785 N ARG A 46 -4.030 -12.772 -6.077 1.00 1.19 N ATOM 786 CA ARG A 46 -3.867 -14.224 -6.109 1.00 1.41 C ATOM 787 C ARG A 46 -3.554 -14.765 -4.717 1.00 1.33 C ATOM 788 O ARG A 46 -3.504 -15.976 -4.502 1.00 1.52 O ATOM 789 CB ARG A 46 -2.760 -14.630 -7.086 1.00 1.62 C ATOM 790 CG ARG A 46 -3.013 -14.198 -8.524 1.00 2.05 C ATOM 791 CD ARG A 46 -4.328 -14.751 -9.054 1.00 2.15 C ATOM 792 NE ARG A 46 -4.411 -16.204 -8.925 1.00 2.69 N ATOM 793 CZ ARG A 46 -5.549 -16.894 -9.006 1.00 3.29 C ATOM 794 NH1 ARG A 46 -6.695 -16.271 -9.253 1.00 3.38 N ATOM 795 NH2 ARG A 46 -5.539 -18.210 -8.844 1.00 4.16 N ATOM 0 H ARG A 46 -3.160 -12.244 -6.148 1.00 1.19 H new ATOM 0 HA ARG A 46 -4.808 -14.655 -6.450 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -1.817 -14.200 -6.749 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -2.644 -15.714 -7.058 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -3.027 -13.110 -8.580 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -2.193 -14.539 -9.156 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -5.156 -14.293 -8.514 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -4.439 -14.475 -10.102 1.00 2.15 H new ATOM 0 HE ARG A 46 -3.547 -16.721 -8.763 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -6.708 -15.259 -9.382 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -7.562 -16.804 -9.314 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -4.661 -18.694 -8.657 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -6.409 -18.738 -8.906 1.00 4.16 H new ATOM 809 N GLU A 47 -3.347 -13.857 -3.776 1.00 1.17 N ATOM 810 CA GLU A 47 -3.026 -14.227 -2.410 1.00 1.13 C ATOM 811 C GLU A 47 -4.300 -14.419 -1.598 1.00 1.30 C ATOM 812 O GLU A 47 -5.248 -13.641 -1.722 1.00 1.48 O ATOM 813 CB GLU A 47 -2.139 -13.159 -1.771 1.00 1.09 C ATOM 814 CG GLU A 47 -1.740 -13.479 -0.344 1.00 1.43 C ATOM 815 CD GLU A 47 -1.096 -14.843 -0.222 1.00 1.91 C ATOM 816 OE1 GLU A 47 0.092 -14.971 -0.562 1.00 2.22 O ATOM 817 OE2 GLU A 47 -1.779 -15.792 0.213 1.00 2.56 O ATOM 0 H GLU A 47 -3.397 -12.851 -3.937 1.00 1.17 H new ATOM 0 HA GLU A 47 -2.481 -15.171 -2.421 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -1.239 -13.038 -2.373 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.664 -12.204 -1.788 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -1.047 -12.719 0.017 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.621 -13.437 0.296 1.00 1.43 H new ATOM 824 N THR A 48 -4.320 -15.456 -0.775 1.00 1.56 N ATOM 825 CA THR A 48 -5.500 -15.784 0.012 1.00 1.94 C ATOM 826 C THR A 48 -5.161 -16.259 1.428 1.00 1.56 C ATOM 827 O THR A 48 -6.038 -16.306 2.292 1.00 1.92 O ATOM 828 CB THR A 48 -6.335 -16.863 -0.700 1.00 2.64 C ATOM 829 OG1 THR A 48 -5.466 -17.741 -1.430 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.346 -16.235 -1.646 1.00 3.54 C ATOM 0 H THR A 48 -3.531 -16.087 -0.634 1.00 1.56 H new ATOM 0 HA THR A 48 -6.074 -14.862 0.104 1.00 1.94 H new ATOM 0 HB THR A 48 -6.880 -17.430 0.054 1.00 2.64 H new ATOM 0 HG1 THR A 48 -5.098 -18.417 -0.823 1.00 2.79 H new ATOM 0 HG21 THR A 48 -7.922 -17.020 -2.136 1.00 3.54 H new ATOM 0 HG22 THR A 48 -8.019 -15.589 -1.083 1.00 3.54 H new ATOM 0 HG23 THR A 48 -6.823 -15.646 -2.399 1.00 3.54 H new ATOM 838 N PHE A 49 -3.900 -16.588 1.686 1.00 1.27 N ATOM 839 CA PHE A 49 -3.523 -17.153 2.978 1.00 1.57 C ATOM 840 C PHE A 49 -2.437 -16.334 3.663 1.00 1.23 C ATOM 841 O PHE A 49 -1.862 -16.768 4.661 1.00 1.42 O ATOM 842 CB PHE A 49 -3.051 -18.600 2.817 1.00 2.24 C ATOM 843 CG PHE A 49 -4.143 -19.565 2.459 1.00 3.04 C ATOM 844 CD1 PHE A 49 -4.969 -20.086 3.441 1.00 3.65 C ATOM 845 CD2 PHE A 49 -4.338 -19.960 1.146 1.00 3.80 C ATOM 846 CE1 PHE A 49 -5.970 -20.982 3.120 1.00 4.73 C ATOM 847 CE2 PHE A 49 -5.338 -20.856 0.818 1.00 4.81 C ATOM 848 CZ PHE A 49 -6.155 -21.366 1.807 1.00 5.19 C ATOM 0 H PHE A 49 -3.129 -16.475 1.027 1.00 1.27 H new ATOM 0 HA PHE A 49 -4.412 -17.129 3.608 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -2.282 -18.636 2.046 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -2.585 -18.924 3.747 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -4.829 -19.788 4.470 1.00 3.65 H new ATOM 0 HD2 PHE A 49 -3.701 -19.563 0.369 1.00 3.80 H new ATOM 0 HE1 PHE A 49 -6.607 -21.382 3.895 1.00 4.73 H new ATOM 0 HE2 PHE A 49 -5.480 -21.156 -0.210 1.00 4.81 H new ATOM 0 HZ PHE A 49 -6.938 -22.065 1.554 1.00 5.19 H new ATOM 858 N LEU A 50 -2.136 -15.165 3.122 1.00 0.94 N ATOM 859 CA LEU A 50 -1.170 -14.276 3.751 1.00 0.81 C ATOM 860 C LEU A 50 -1.910 -13.282 4.640 1.00 0.81 C ATOM 861 O LEU A 50 -2.691 -12.467 4.148 1.00 0.88 O ATOM 862 CB LEU A 50 -0.341 -13.540 2.691 1.00 0.83 C ATOM 863 CG LEU A 50 1.081 -13.137 3.105 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.814 -12.507 1.934 1.00 1.34 C ATOM 865 CD2 LEU A 50 1.059 -12.177 4.279 1.00 1.51 C ATOM 0 H LEU A 50 -2.542 -14.810 2.256 1.00 0.94 H new ATOM 0 HA LEU A 50 -0.484 -14.864 4.361 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -0.274 -14.174 1.807 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.881 -12.640 2.398 1.00 0.83 H new ATOM 0 HG LEU A 50 1.608 -14.040 3.412 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.821 -12.227 2.243 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.872 -13.223 1.114 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.276 -11.619 1.603 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.080 -11.910 4.550 1.00 1.51 H new ATOM 0 HD22 LEU A 50 0.509 -11.277 4.003 1.00 1.51 H new ATOM 0 HD23 LEU A 50 0.571 -12.653 5.129 1.00 1.51 H new ATOM 877 N PRO A 51 -1.688 -13.369 5.961 1.00 0.98 N ATOM 878 CA PRO A 51 -2.326 -12.491 6.951 1.00 1.19 C ATOM 879 C PRO A 51 -2.243 -11.006 6.587 1.00 1.06 C ATOM 880 O PRO A 51 -1.168 -10.492 6.269 1.00 1.05 O ATOM 881 CB PRO A 51 -1.521 -12.771 8.220 1.00 1.58 C ATOM 882 CG PRO A 51 -1.057 -14.172 8.066 1.00 1.69 C ATOM 883 CD PRO A 51 -0.793 -14.355 6.600 1.00 1.21 C ATOM 0 HA PRO A 51 -3.394 -12.690 7.037 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -0.681 -12.083 8.317 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -2.134 -12.652 9.113 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -0.155 -14.352 8.651 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -1.812 -14.875 8.418 1.00 1.69 H new ATOM 0 HD2 PRO A 51 0.252 -14.167 6.354 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -1.019 -15.371 6.276 1.00 1.21 H new ATOM 891 N PRO A 52 -3.394 -10.305 6.622 1.00 1.03 N ATOM 892 CA PRO A 52 -3.465 -8.859 6.357 1.00 0.93 C ATOM 893 C PRO A 52 -2.596 -8.053 7.319 1.00 0.87 C ATOM 894 O PRO A 52 -2.125 -8.565 8.336 1.00 1.08 O ATOM 895 CB PRO A 52 -4.944 -8.523 6.576 1.00 1.03 C ATOM 896 CG PRO A 52 -5.665 -9.816 6.418 1.00 1.15 C ATOM 897 CD PRO A 52 -4.722 -10.875 6.912 1.00 1.17 C ATOM 0 HA PRO A 52 -3.101 -8.613 5.359 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -5.109 -8.098 7.566 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -5.292 -7.787 5.852 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -6.592 -9.819 6.992 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -5.935 -9.988 5.376 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -4.854 -11.067 7.977 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -4.875 -11.823 6.396 1.00 1.17 H new ATOM 905 N LEU A 53 -2.384 -6.789 7.000 1.00 0.75 N ATOM 906 CA LEU A 53 -1.534 -5.942 7.818 1.00 0.74 C ATOM 907 C LEU A 53 -2.360 -5.097 8.772 1.00 0.76 C ATOM 908 O LEU A 53 -3.551 -4.878 8.543 1.00 0.80 O ATOM 909 CB LEU A 53 -0.671 -5.041 6.936 1.00 0.76 C ATOM 910 CG LEU A 53 0.159 -5.776 5.886 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.057 -4.799 5.151 1.00 0.77 C ATOM 912 CD2 LEU A 53 0.977 -6.884 6.530 1.00 1.22 C ATOM 0 H LEU A 53 -2.786 -6.328 6.184 1.00 0.75 H new ATOM 0 HA LEU A 53 -0.885 -6.589 8.407 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -1.318 -4.324 6.430 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.002 -4.468 7.574 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.517 -6.233 5.164 1.00 0.79 H new ATOM 0 HD11 LEU A 53 1.644 -5.335 4.405 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.446 -4.043 4.658 1.00 0.77 H new ATOM 0 HD13 LEU A 53 1.728 -4.316 5.862 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.562 -7.396 5.766 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.649 -6.455 7.274 1.00 1.22 H new ATOM 0 HD23 LEU A 53 0.308 -7.596 7.013 1.00 1.22 H new ATOM 924 N ASP A 54 -1.726 -4.630 9.841 1.00 0.77 N ATOM 925 CA ASP A 54 -2.399 -3.797 10.834 1.00 0.82 C ATOM 926 C ASP A 54 -2.831 -2.474 10.215 1.00 0.69 C ATOM 927 O ASP A 54 -3.900 -1.952 10.520 1.00 0.75 O ATOM 928 CB ASP A 54 -1.477 -3.534 12.027 1.00 1.00 C ATOM 929 CG ASP A 54 -2.181 -2.811 13.161 1.00 1.25 C ATOM 930 OD1 ASP A 54 -2.777 -3.491 14.025 1.00 2.12 O ATOM 931 OD2 ASP A 54 -2.143 -1.562 13.202 1.00 1.53 O ATOM 0 H ASP A 54 -0.743 -4.814 10.044 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.284 -4.330 11.182 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -1.084 -4.482 12.394 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -0.623 -2.942 11.698 1.00 1.00 H new ATOM 936 N LYS A 55 -1.996 -1.945 9.333 1.00 0.64 N ATOM 937 CA LYS A 55 -2.291 -0.693 8.651 1.00 0.62 C ATOM 938 C LYS A 55 -2.238 -0.905 7.143 1.00 0.55 C ATOM 939 O LYS A 55 -1.660 -1.882 6.668 1.00 0.61 O ATOM 940 CB LYS A 55 -1.293 0.395 9.064 1.00 0.81 C ATOM 941 CG LYS A 55 -1.341 0.753 10.543 1.00 1.10 C ATOM 942 CD LYS A 55 -2.707 1.287 10.947 1.00 1.49 C ATOM 943 CE LYS A 55 -2.738 1.684 12.415 1.00 1.98 C ATOM 944 NZ LYS A 55 -4.087 2.150 12.833 1.00 2.59 N ATOM 0 H LYS A 55 -1.104 -2.366 9.072 1.00 0.64 H new ATOM 0 HA LYS A 55 -3.292 -0.367 8.935 1.00 0.62 H new ATOM 0 HB2 LYS A 55 -0.285 0.063 8.814 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -1.487 1.293 8.477 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -1.104 -0.128 11.139 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -0.578 1.501 10.762 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -2.959 2.150 10.330 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -3.466 0.528 10.758 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -2.441 0.833 13.028 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -2.009 2.475 12.593 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -4.068 2.411 13.839 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -4.360 2.978 12.265 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -4.779 1.387 12.687 1.00 2.59 H new ATOM 958 N THR A 56 -2.863 -0.003 6.404 1.00 0.50 N ATOM 959 CA THR A 56 -2.897 -0.094 4.952 1.00 0.48 C ATOM 960 C THR A 56 -2.026 0.994 4.334 1.00 0.43 C ATOM 961 O THR A 56 -1.439 0.811 3.265 1.00 0.45 O ATOM 962 CB THR A 56 -4.341 0.042 4.430 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.206 -0.829 5.171 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.428 -0.298 2.949 1.00 0.96 C ATOM 0 H THR A 56 -3.356 0.804 6.787 1.00 0.50 H new ATOM 0 HA THR A 56 -2.510 -1.072 4.665 1.00 0.48 H new ATOM 0 HB THR A 56 -4.653 1.078 4.563 1.00 0.55 H new ATOM 0 HG1 THR A 56 -6.123 -0.739 4.838 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.459 -0.192 2.611 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.789 0.379 2.382 1.00 0.96 H new ATOM 0 HG23 THR A 56 -4.098 -1.325 2.791 1.00 0.96 H new ATOM 972 N LYS A 57 -1.944 2.124 5.020 1.00 0.46 N ATOM 973 CA LYS A 57 -1.145 3.244 4.562 1.00 0.48 C ATOM 974 C LYS A 57 -0.044 3.543 5.564 1.00 0.52 C ATOM 975 O LYS A 57 -0.310 3.971 6.689 1.00 0.69 O ATOM 976 CB LYS A 57 -2.025 4.478 4.349 1.00 0.59 C ATOM 977 CG LYS A 57 -3.048 4.292 3.241 1.00 0.90 C ATOM 978 CD LYS A 57 -3.908 5.528 3.038 1.00 1.09 C ATOM 979 CE LYS A 57 -4.751 5.394 1.780 1.00 1.54 C ATOM 980 NZ LYS A 57 -5.724 6.505 1.627 1.00 2.14 N ATOM 0 H LYS A 57 -2.427 2.287 5.904 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.688 2.981 3.608 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -2.543 4.713 5.279 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.392 5.333 4.112 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.533 4.053 2.310 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.688 3.442 3.479 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -4.556 5.673 3.903 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -3.273 6.411 2.964 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -4.096 5.366 0.909 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -5.288 4.446 1.806 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -5.988 6.600 0.625 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -6.574 6.302 2.191 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -5.293 7.392 1.957 1.00 2.14 H new ATOM 994 N PHE A 58 1.186 3.298 5.161 1.00 0.43 N ATOM 995 CA PHE A 58 2.326 3.506 6.033 1.00 0.50 C ATOM 996 C PHE A 58 3.080 4.760 5.629 1.00 0.38 C ATOM 997 O PHE A 58 3.231 5.053 4.441 1.00 0.33 O ATOM 998 CB PHE A 58 3.272 2.302 5.992 1.00 0.69 C ATOM 999 CG PHE A 58 2.664 1.027 6.503 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.590 0.776 7.862 1.00 1.42 C ATOM 1001 CD2 PHE A 58 2.176 0.075 5.621 1.00 1.16 C ATOM 1002 CE1 PHE A 58 2.040 -0.397 8.335 1.00 1.64 C ATOM 1003 CE2 PHE A 58 1.623 -1.101 6.088 1.00 1.29 C ATOM 1004 CZ PHE A 58 1.555 -1.338 7.447 1.00 1.11 C ATOM 0 H PHE A 58 1.423 2.953 4.231 1.00 0.43 H new ATOM 0 HA PHE A 58 1.953 3.624 7.050 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.603 2.148 4.965 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.160 2.531 6.582 1.00 0.69 H new ATOM 0 HD1 PHE A 58 2.968 1.508 8.561 1.00 1.42 H new ATOM 0 HD2 PHE A 58 2.229 0.255 4.557 1.00 1.16 H new ATOM 0 HE1 PHE A 58 1.988 -0.580 9.398 1.00 1.64 H new ATOM 0 HE2 PHE A 58 1.244 -1.834 5.392 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.124 -2.257 7.815 1.00 1.11 H new ATOM 1014 N LEU A 59 3.536 5.505 6.617 1.00 0.46 N ATOM 1015 CA LEU A 59 4.396 6.644 6.365 1.00 0.43 C ATOM 1016 C LEU A 59 5.839 6.206 6.549 1.00 0.40 C ATOM 1017 O LEU A 59 6.311 6.033 7.674 1.00 0.54 O ATOM 1018 CB LEU A 59 4.062 7.814 7.301 1.00 0.59 C ATOM 1019 CG LEU A 59 2.709 8.501 7.059 1.00 1.38 C ATOM 1020 CD1 LEU A 59 1.550 7.630 7.522 1.00 2.22 C ATOM 1021 CD2 LEU A 59 2.667 9.850 7.757 1.00 1.64 C ATOM 0 H LEU A 59 3.325 5.342 7.602 1.00 0.46 H new ATOM 0 HA LEU A 59 4.239 6.996 5.345 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.084 7.450 8.328 1.00 0.59 H new ATOM 0 HB3 LEU A 59 4.849 8.563 7.211 1.00 0.59 H new ATOM 0 HG LEU A 59 2.603 8.654 5.985 1.00 1.38 H new ATOM 0 HD11 LEU A 59 0.609 8.147 7.336 1.00 2.22 H new ATOM 0 HD12 LEU A 59 1.561 6.688 6.974 1.00 2.22 H new ATOM 0 HD13 LEU A 59 1.649 7.430 8.589 1.00 2.22 H new ATOM 0 HD21 LEU A 59 1.702 10.324 7.576 1.00 1.64 H new ATOM 0 HD22 LEU A 59 2.807 9.710 8.829 1.00 1.64 H new ATOM 0 HD23 LEU A 59 3.462 10.486 7.368 1.00 1.64 H new ATOM 1033 N VAL A 60 6.529 6.006 5.441 1.00 0.33 N ATOM 1034 CA VAL A 60 7.870 5.452 5.478 1.00 0.41 C ATOM 1035 C VAL A 60 8.910 6.488 5.074 1.00 0.36 C ATOM 1036 O VAL A 60 8.692 7.272 4.152 1.00 0.34 O ATOM 1037 CB VAL A 60 7.985 4.211 4.566 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.146 3.069 5.118 1.00 0.59 C ATOM 1039 CG2 VAL A 60 7.563 4.537 3.140 1.00 0.47 C ATOM 0 H VAL A 60 6.183 6.219 4.505 1.00 0.33 H new ATOM 0 HA VAL A 60 8.064 5.150 6.507 1.00 0.41 H new ATOM 0 HB VAL A 60 9.030 3.902 4.546 1.00 0.50 H new ATOM 0 HG11 VAL A 60 7.237 2.201 4.464 1.00 0.59 H new ATOM 0 HG12 VAL A 60 7.497 2.809 6.117 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.102 3.376 5.169 1.00 0.59 H new ATOM 0 HG21 VAL A 60 7.654 3.645 2.521 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.528 4.877 3.136 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.205 5.323 2.741 1.00 0.47 H new ATOM 1049 N PRO A 61 10.043 6.521 5.790 1.00 0.41 N ATOM 1050 CA PRO A 61 11.154 7.424 5.477 1.00 0.41 C ATOM 1051 C PRO A 61 11.669 7.225 4.054 1.00 0.37 C ATOM 1052 O PRO A 61 11.745 6.102 3.563 1.00 0.36 O ATOM 1053 CB PRO A 61 12.238 7.024 6.484 1.00 0.52 C ATOM 1054 CG PRO A 61 11.509 6.362 7.599 1.00 0.71 C ATOM 1055 CD PRO A 61 10.327 5.685 6.970 1.00 0.51 C ATOM 0 HA PRO A 61 10.856 8.471 5.541 1.00 0.41 H new ATOM 0 HB2 PRO A 61 12.965 6.349 6.033 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.789 7.896 6.837 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.147 5.640 8.109 1.00 0.71 H new ATOM 0 HG3 PRO A 61 11.191 7.090 8.345 1.00 0.71 H new ATOM 0 HD2 PRO A 61 10.555 4.657 6.689 1.00 0.51 H new ATOM 0 HD3 PRO A 61 9.476 5.648 7.650 1.00 0.51 H new ATOM 1063 N GLN A 62 12.024 8.324 3.402 1.00 0.42 N ATOM 1064 CA GLN A 62 12.576 8.277 2.049 1.00 0.45 C ATOM 1065 C GLN A 62 13.931 7.571 2.048 1.00 0.43 C ATOM 1066 O GLN A 62 14.401 7.097 1.011 1.00 0.51 O ATOM 1067 CB GLN A 62 12.710 9.693 1.485 1.00 0.61 C ATOM 1068 CG GLN A 62 13.546 10.620 2.354 1.00 0.85 C ATOM 1069 CD GLN A 62 13.614 12.037 1.815 1.00 0.78 C ATOM 1070 OE1 GLN A 62 13.725 12.996 2.575 1.00 1.34 O ATOM 1071 NE2 GLN A 62 13.558 12.179 0.499 1.00 1.15 N ATOM 0 H GLN A 62 11.940 9.264 3.788 1.00 0.42 H new ATOM 0 HA GLN A 62 11.894 7.711 1.414 1.00 0.45 H new ATOM 0 HB2 GLN A 62 13.157 9.639 0.492 1.00 0.61 H new ATOM 0 HB3 GLN A 62 11.715 10.122 1.364 1.00 0.61 H new ATOM 0 HG2 GLN A 62 13.129 10.640 3.361 1.00 0.85 H new ATOM 0 HG3 GLN A 62 14.556 10.219 2.436 1.00 0.85 H new ATOM 0 HE21 GLN A 62 13.466 11.358 -0.099 1.00 1.15 H new ATOM 0 HE22 GLN A 62 13.607 13.109 0.084 1.00 1.15 H new ATOM 1080 N GLU A 63 14.540 7.506 3.227 1.00 0.46 N ATOM 1081 CA GLU A 63 15.814 6.826 3.425 1.00 0.59 C ATOM 1082 C GLU A 63 15.616 5.309 3.498 1.00 0.51 C ATOM 1083 O GLU A 63 16.568 4.535 3.359 1.00 0.62 O ATOM 1084 CB GLU A 63 16.450 7.344 4.718 1.00 0.81 C ATOM 1085 CG GLU A 63 17.756 6.672 5.096 1.00 1.56 C ATOM 1086 CD GLU A 63 18.330 7.230 6.376 1.00 2.26 C ATOM 1087 OE1 GLU A 63 17.814 6.896 7.464 1.00 3.07 O ATOM 1088 OE2 GLU A 63 19.299 8.012 6.302 1.00 2.73 O ATOM 0 H GLU A 63 14.162 7.926 4.076 1.00 0.46 H new ATOM 0 HA GLU A 63 16.471 7.033 2.580 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.624 8.415 4.617 1.00 0.81 H new ATOM 0 HB3 GLU A 63 15.740 7.212 5.534 1.00 0.81 H new ATOM 0 HG2 GLU A 63 17.593 5.600 5.209 1.00 1.56 H new ATOM 0 HG3 GLU A 63 18.477 6.801 4.289 1.00 1.56 H new ATOM 1095 N LEU A 64 14.373 4.890 3.699 1.00 0.39 N ATOM 1096 CA LEU A 64 14.050 3.488 3.864 1.00 0.39 C ATOM 1097 C LEU A 64 14.208 2.750 2.544 1.00 0.45 C ATOM 1098 O LEU A 64 13.763 3.217 1.494 1.00 0.54 O ATOM 1099 CB LEU A 64 12.618 3.332 4.374 1.00 0.36 C ATOM 1100 CG LEU A 64 12.227 1.916 4.789 1.00 0.49 C ATOM 1101 CD1 LEU A 64 12.835 1.572 6.138 1.00 1.14 C ATOM 1102 CD2 LEU A 64 10.716 1.772 4.828 1.00 1.44 C ATOM 0 H LEU A 64 13.567 5.513 3.751 1.00 0.39 H new ATOM 0 HA LEU A 64 14.737 3.059 4.594 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.479 3.995 5.228 1.00 0.36 H new ATOM 0 HB3 LEU A 64 11.933 3.667 3.595 1.00 0.36 H new ATOM 0 HG LEU A 64 12.617 1.217 4.049 1.00 0.49 H new ATOM 0 HD11 LEU A 64 12.547 0.559 6.419 1.00 1.14 H new ATOM 0 HD12 LEU A 64 13.921 1.636 6.074 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.474 2.274 6.890 1.00 1.14 H new ATOM 0 HD21 LEU A 64 10.455 0.756 5.126 1.00 1.44 H new ATOM 0 HD22 LEU A 64 10.302 2.479 5.547 1.00 1.44 H new ATOM 0 HD23 LEU A 64 10.305 1.977 3.839 1.00 1.44 H new ATOM 1114 N THR A 65 14.863 1.608 2.606 1.00 0.49 N ATOM 1115 CA THR A 65 15.049 0.772 1.435 1.00 0.54 C ATOM 1116 C THR A 65 13.907 -0.226 1.291 1.00 0.53 C ATOM 1117 O THR A 65 13.174 -0.480 2.250 1.00 0.51 O ATOM 1118 CB THR A 65 16.375 -0.005 1.498 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.403 -0.817 2.679 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.564 0.943 1.491 1.00 0.68 C ATOM 0 H THR A 65 15.278 1.235 3.460 1.00 0.49 H new ATOM 0 HA THR A 65 15.067 1.440 0.574 1.00 0.54 H new ATOM 0 HB THR A 65 16.444 -0.642 0.616 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.248 -1.312 2.716 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.489 0.367 1.536 1.00 0.68 H new ATOM 0 HG22 THR A 65 17.551 1.537 0.577 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.506 1.605 2.355 1.00 0.68 H new ATOM 1128 N MET A 66 13.763 -0.788 0.103 1.00 0.55 N ATOM 1129 CA MET A 66 12.759 -1.813 -0.148 1.00 0.56 C ATOM 1130 C MET A 66 12.910 -2.995 0.805 1.00 0.52 C ATOM 1131 O MET A 66 11.928 -3.483 1.359 1.00 0.47 O ATOM 1132 CB MET A 66 12.866 -2.303 -1.585 1.00 0.62 C ATOM 1133 CG MET A 66 12.169 -1.408 -2.596 1.00 0.88 C ATOM 1134 SD MET A 66 10.375 -1.520 -2.495 1.00 1.39 S ATOM 1135 CE MET A 66 10.127 -3.261 -2.847 1.00 1.05 C ATOM 0 H MET A 66 14.332 -0.551 -0.710 1.00 0.55 H new ATOM 0 HA MET A 66 11.780 -1.365 0.020 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.919 -2.385 -1.853 1.00 0.62 H new ATOM 0 HB3 MET A 66 12.442 -3.305 -1.649 1.00 0.62 H new ATOM 0 HG2 MET A 66 12.475 -0.375 -2.433 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.491 -1.681 -3.601 1.00 0.88 H new ATOM 0 HE1 MET A 66 9.099 -3.424 -3.170 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.810 -3.573 -3.637 1.00 1.05 H new ATOM 0 HE3 MET A 66 10.322 -3.845 -1.948 1.00 1.05 H new ATOM 1145 N THR A 67 14.146 -3.437 1.008 1.00 0.56 N ATOM 1146 CA THR A 67 14.408 -4.585 1.861 1.00 0.58 C ATOM 1147 C THR A 67 14.031 -4.294 3.319 1.00 0.47 C ATOM 1148 O THR A 67 13.503 -5.166 4.017 1.00 0.45 O ATOM 1149 CB THR A 67 15.881 -5.047 1.755 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.110 -6.187 2.592 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.841 -3.933 2.134 1.00 1.19 C ATOM 0 H THR A 67 14.979 -3.018 0.594 1.00 0.56 H new ATOM 0 HA THR A 67 13.778 -5.401 1.507 1.00 0.58 H new ATOM 0 HB THR A 67 16.065 -5.319 0.716 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.045 -6.468 2.513 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.867 -4.292 2.048 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.696 -3.085 1.465 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.650 -3.622 3.161 1.00 1.19 H new ATOM 1159 N GLN A 68 14.271 -3.062 3.773 1.00 0.47 N ATOM 1160 CA GLN A 68 13.877 -2.657 5.119 1.00 0.43 C ATOM 1161 C GLN A 68 12.359 -2.530 5.221 1.00 0.35 C ATOM 1162 O GLN A 68 11.767 -2.839 6.255 1.00 0.34 O ATOM 1163 CB GLN A 68 14.543 -1.334 5.506 1.00 0.50 C ATOM 1164 CG GLN A 68 16.042 -1.439 5.746 1.00 0.56 C ATOM 1165 CD GLN A 68 16.386 -2.239 6.987 1.00 1.33 C ATOM 1166 OE1 GLN A 68 16.495 -1.693 8.085 1.00 2.03 O ATOM 1167 NE2 GLN A 68 16.568 -3.538 6.822 1.00 1.98 N ATOM 0 H GLN A 68 14.734 -2.333 3.230 1.00 0.47 H new ATOM 0 HA GLN A 68 14.210 -3.429 5.813 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.363 -0.604 4.717 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.067 -0.951 6.409 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.512 -1.903 4.879 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.461 -0.437 5.838 1.00 0.56 H new ATOM 0 HE21 GLN A 68 16.469 -3.953 5.896 1.00 1.98 H new ATOM 0 HE22 GLN A 68 16.808 -4.125 7.621 1.00 1.98 H new ATOM 1176 N PHE A 69 11.730 -2.087 4.140 1.00 0.35 N ATOM 1177 CA PHE A 69 10.278 -1.955 4.101 1.00 0.34 C ATOM 1178 C PHE A 69 9.633 -3.334 4.102 1.00 0.36 C ATOM 1179 O PHE A 69 8.592 -3.550 4.720 1.00 0.36 O ATOM 1180 CB PHE A 69 9.844 -1.160 2.867 1.00 0.42 C ATOM 1181 CG PHE A 69 8.357 -0.962 2.769 1.00 0.45 C ATOM 1182 CD1 PHE A 69 7.670 -0.265 3.749 1.00 1.31 C ATOM 1183 CD2 PHE A 69 7.648 -1.472 1.696 1.00 1.26 C ATOM 1184 CE1 PHE A 69 6.305 -0.082 3.660 1.00 1.30 C ATOM 1185 CE2 PHE A 69 6.282 -1.291 1.602 1.00 1.33 C ATOM 1186 CZ PHE A 69 5.609 -0.597 2.586 1.00 0.59 C ATOM 0 H PHE A 69 12.202 -1.813 3.278 1.00 0.35 H new ATOM 0 HA PHE A 69 9.950 -1.412 4.987 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.331 -0.185 2.884 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.193 -1.675 1.972 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.209 0.140 4.593 1.00 1.31 H new ATOM 0 HD2 PHE A 69 8.169 -2.018 0.923 1.00 1.26 H new ATOM 0 HE1 PHE A 69 5.782 0.464 4.431 1.00 1.30 H new ATOM 0 HE2 PHE A 69 5.741 -1.693 0.758 1.00 1.33 H new ATOM 0 HZ PHE A 69 4.540 -0.457 2.516 1.00 0.59 H new ATOM 1196 N LEU A 70 10.278 -4.261 3.411 1.00 0.40 N ATOM 1197 CA LEU A 70 9.844 -5.648 3.362 1.00 0.46 C ATOM 1198 C LEU A 70 9.730 -6.232 4.770 1.00 0.47 C ATOM 1199 O LEU A 70 8.731 -6.872 5.109 1.00 0.52 O ATOM 1200 CB LEU A 70 10.837 -6.456 2.524 1.00 0.54 C ATOM 1201 CG LEU A 70 10.558 -7.959 2.427 1.00 0.77 C ATOM 1202 CD1 LEU A 70 9.242 -8.215 1.708 1.00 1.18 C ATOM 1203 CD2 LEU A 70 11.699 -8.663 1.713 1.00 1.43 C ATOM 0 H LEU A 70 11.120 -4.072 2.867 1.00 0.40 H new ATOM 0 HA LEU A 70 8.857 -5.697 2.902 1.00 0.46 H new ATOM 0 HB2 LEU A 70 10.853 -6.043 1.516 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.834 -6.317 2.942 1.00 0.54 H new ATOM 0 HG LEU A 70 10.480 -8.361 3.437 1.00 0.77 H new ATOM 0 HD11 LEU A 70 9.062 -9.288 1.649 1.00 1.18 H new ATOM 0 HD12 LEU A 70 8.429 -7.740 2.257 1.00 1.18 H new ATOM 0 HD13 LEU A 70 9.291 -7.800 0.701 1.00 1.18 H new ATOM 0 HD21 LEU A 70 11.486 -9.730 1.652 1.00 1.43 H new ATOM 0 HD22 LEU A 70 11.805 -8.256 0.708 1.00 1.43 H new ATOM 0 HD23 LEU A 70 12.625 -8.509 2.267 1.00 1.43 H new ATOM 1215 N SER A 71 10.747 -5.997 5.593 1.00 0.45 N ATOM 1216 CA SER A 71 10.718 -6.451 6.978 1.00 0.50 C ATOM 1217 C SER A 71 9.637 -5.718 7.777 1.00 0.48 C ATOM 1218 O SER A 71 9.041 -6.286 8.692 1.00 0.56 O ATOM 1219 CB SER A 71 12.092 -6.289 7.629 1.00 0.55 C ATOM 1220 OG SER A 71 12.729 -5.087 7.226 1.00 1.50 O ATOM 0 H SER A 71 11.596 -5.498 5.327 1.00 0.45 H new ATOM 0 HA SER A 71 10.467 -7.512 6.981 1.00 0.50 H new ATOM 0 HB2 SER A 71 11.983 -6.296 8.714 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.721 -7.139 7.366 1.00 0.55 H new ATOM 0 HG SER A 71 12.050 -4.417 7.000 1.00 1.50 H new ATOM 1226 N ILE A 72 9.382 -4.460 7.426 1.00 0.40 N ATOM 1227 CA ILE A 72 8.314 -3.694 8.057 1.00 0.39 C ATOM 1228 C ILE A 72 6.959 -4.335 7.770 1.00 0.40 C ATOM 1229 O ILE A 72 6.103 -4.427 8.650 1.00 0.46 O ATOM 1230 CB ILE A 72 8.302 -2.221 7.587 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.546 -1.493 8.102 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.035 -1.516 8.054 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.585 -0.023 7.744 1.00 0.46 C ATOM 0 H ILE A 72 9.900 -3.952 6.709 1.00 0.40 H new ATOM 0 HA ILE A 72 8.503 -3.702 9.130 1.00 0.39 H new ATOM 0 HB ILE A 72 8.315 -2.205 6.497 1.00 0.38 H new ATOM 0 HG12 ILE A 72 9.592 -1.595 9.186 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.434 -1.980 7.698 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.048 -0.481 7.712 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.163 -2.024 7.642 1.00 0.43 H new ATOM 0 HG23 ILE A 72 6.987 -1.538 9.143 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.495 0.425 8.143 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.571 0.088 6.660 1.00 0.46 H new ATOM 0 HD13 ILE A 72 8.717 0.479 8.171 1.00 0.46 H new ATOM 1245 N ILE A 73 6.776 -4.798 6.540 1.00 0.40 N ATOM 1246 CA ILE A 73 5.553 -5.492 6.163 1.00 0.47 C ATOM 1247 C ILE A 73 5.346 -6.722 7.045 1.00 0.56 C ATOM 1248 O ILE A 73 4.240 -6.984 7.513 1.00 0.64 O ATOM 1249 CB ILE A 73 5.578 -5.924 4.677 1.00 0.52 C ATOM 1250 CG1 ILE A 73 5.716 -4.701 3.766 1.00 0.51 C ATOM 1251 CG2 ILE A 73 4.325 -6.714 4.321 1.00 0.65 C ATOM 1252 CD1 ILE A 73 4.599 -3.692 3.924 1.00 1.08 C ATOM 0 H ILE A 73 7.459 -4.705 5.788 1.00 0.40 H new ATOM 0 HA ILE A 73 4.727 -4.795 6.305 1.00 0.47 H new ATOM 0 HB ILE A 73 6.443 -6.570 4.525 1.00 0.52 H new ATOM 0 HG12 ILE A 73 6.667 -4.211 3.973 1.00 0.51 H new ATOM 0 HG13 ILE A 73 5.748 -5.034 2.729 1.00 0.51 H new ATOM 0 HG21 ILE A 73 4.365 -7.007 3.272 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.268 -7.606 4.945 1.00 0.65 H new ATOM 0 HG23 ILE A 73 3.444 -6.095 4.491 1.00 0.65 H new ATOM 0 HD11 ILE A 73 4.766 -2.855 3.246 1.00 1.08 H new ATOM 0 HD12 ILE A 73 3.646 -4.165 3.688 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.579 -3.329 4.952 1.00 1.08 H new ATOM 1264 N ARG A 74 6.428 -7.450 7.287 1.00 0.60 N ATOM 1265 CA ARG A 74 6.372 -8.653 8.105 1.00 0.75 C ATOM 1266 C ARG A 74 6.100 -8.321 9.578 1.00 0.75 C ATOM 1267 O ARG A 74 5.402 -9.063 10.268 1.00 0.84 O ATOM 1268 CB ARG A 74 7.673 -9.449 7.962 1.00 0.86 C ATOM 1269 CG ARG A 74 7.677 -10.757 8.737 1.00 1.15 C ATOM 1270 CD ARG A 74 8.943 -11.562 8.479 1.00 1.07 C ATOM 1271 NE ARG A 74 8.992 -12.105 7.119 1.00 1.72 N ATOM 1272 CZ ARG A 74 10.101 -12.168 6.381 1.00 2.15 C ATOM 1273 NH1 ARG A 74 11.251 -11.713 6.863 1.00 2.13 N ATOM 1274 NH2 ARG A 74 10.061 -12.704 5.168 1.00 3.12 N ATOM 0 H ARG A 74 7.356 -7.228 6.928 1.00 0.60 H new ATOM 0 HA ARG A 74 5.542 -9.264 7.749 1.00 0.75 H new ATOM 0 HB2 ARG A 74 7.844 -9.662 6.907 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.505 -8.833 8.302 1.00 0.86 H new ATOM 0 HG2 ARG A 74 7.590 -10.548 9.803 1.00 1.15 H new ATOM 0 HG3 ARG A 74 6.806 -11.349 8.456 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.814 -10.928 8.646 1.00 1.07 H new ATOM 0 HD3 ARG A 74 9.002 -12.380 9.196 1.00 1.07 H new ATOM 0 HE ARG A 74 8.125 -12.456 6.712 1.00 1.72 H new ATOM 0 HH11 ARG A 74 11.289 -11.314 7.801 1.00 2.13 H new ATOM 0 HH12 ARG A 74 12.097 -11.763 6.296 1.00 2.13 H new ATOM 0 HH21 ARG A 74 9.182 -13.068 4.800 1.00 3.12 H new ATOM 0 HH22 ARG A 74 10.909 -12.752 4.604 1.00 3.12 H new ATOM 1288 N SER A 75 6.641 -7.206 10.055 1.00 0.67 N ATOM 1289 CA SER A 75 6.480 -6.822 11.455 1.00 0.71 C ATOM 1290 C SER A 75 5.112 -6.194 11.719 1.00 0.65 C ATOM 1291 O SER A 75 4.553 -6.339 12.805 1.00 0.70 O ATOM 1292 CB SER A 75 7.597 -5.866 11.875 1.00 0.71 C ATOM 1293 OG SER A 75 7.889 -4.941 10.844 1.00 1.33 O ATOM 0 H SER A 75 7.193 -6.554 9.497 1.00 0.67 H new ATOM 0 HA SER A 75 6.544 -7.730 12.055 1.00 0.71 H new ATOM 0 HB2 SER A 75 7.301 -5.329 12.776 1.00 0.71 H new ATOM 0 HB3 SER A 75 8.493 -6.435 12.122 1.00 0.71 H new ATOM 0 HG SER A 75 8.423 -5.382 10.150 1.00 1.33 H new ATOM 1299 N ARG A 76 4.577 -5.499 10.724 1.00 0.60 N ATOM 1300 CA ARG A 76 3.272 -4.853 10.853 1.00 0.60 C ATOM 1301 C ARG A 76 2.162 -5.789 10.387 1.00 0.66 C ATOM 1302 O ARG A 76 0.989 -5.408 10.332 1.00 0.70 O ATOM 1303 CB ARG A 76 3.227 -3.539 10.063 1.00 0.58 C ATOM 1304 CG ARG A 76 3.882 -2.351 10.766 1.00 1.15 C ATOM 1305 CD ARG A 76 5.359 -2.583 11.045 1.00 1.27 C ATOM 1306 NE ARG A 76 6.024 -1.374 11.524 1.00 1.86 N ATOM 1307 CZ ARG A 76 7.316 -1.310 11.840 1.00 2.28 C ATOM 1308 NH1 ARG A 76 8.087 -2.385 11.745 1.00 2.42 N ATOM 1309 NH2 ARG A 76 7.840 -0.163 12.247 1.00 3.11 N ATOM 0 H ARG A 76 5.025 -5.366 9.817 1.00 0.60 H new ATOM 0 HA ARG A 76 3.115 -4.622 11.907 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.718 -3.691 9.102 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.186 -3.292 9.854 1.00 0.58 H new ATOM 0 HG2 ARG A 76 3.767 -1.460 10.149 1.00 1.15 H new ATOM 0 HG3 ARG A 76 3.364 -2.158 11.705 1.00 1.15 H new ATOM 0 HD2 ARG A 76 5.467 -3.374 11.787 1.00 1.27 H new ATOM 0 HD3 ARG A 76 5.849 -2.930 10.135 1.00 1.27 H new ATOM 0 HE ARG A 76 5.464 -0.527 11.622 1.00 1.86 H new ATOM 0 HH11 ARG A 76 7.691 -3.270 11.428 1.00 2.42 H new ATOM 0 HH12 ARG A 76 9.076 -2.327 11.989 1.00 2.42 H new ATOM 0 HH21 ARG A 76 7.254 0.669 12.318 1.00 3.11 H new ATOM 0 HH22 ARG A 76 8.829 -0.112 12.490 1.00 3.11 H new ATOM 1323 N MET A 77 2.547 -7.005 10.033 1.00 0.71 N ATOM 1324 CA MET A 77 1.598 -8.037 9.649 1.00 0.80 C ATOM 1325 C MET A 77 0.820 -8.496 10.874 1.00 0.82 C ATOM 1326 O MET A 77 1.360 -8.528 11.982 1.00 0.81 O ATOM 1327 CB MET A 77 2.347 -9.218 9.021 1.00 0.89 C ATOM 1328 CG MET A 77 1.443 -10.271 8.399 1.00 1.02 C ATOM 1329 SD MET A 77 2.368 -11.650 7.697 1.00 1.28 S ATOM 1330 CE MET A 77 3.382 -10.797 6.489 1.00 1.06 C ATOM 0 H MET A 77 3.522 -7.303 10.004 1.00 0.71 H new ATOM 0 HA MET A 77 0.898 -7.635 8.917 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.024 -8.839 8.255 1.00 0.89 H new ATOM 0 HB3 MET A 77 2.963 -9.691 9.786 1.00 0.89 H new ATOM 0 HG2 MET A 77 0.755 -10.647 9.156 1.00 1.02 H new ATOM 0 HG3 MET A 77 0.837 -9.810 7.619 1.00 1.02 H new ATOM 0 HE1 MET A 77 3.766 -11.515 5.764 1.00 1.06 H new ATOM 0 HE2 MET A 77 2.781 -10.047 5.974 1.00 1.06 H new ATOM 0 HE3 MET A 77 4.216 -10.310 6.993 1.00 1.06 H new ATOM 1340 N VAL A 78 -0.456 -8.826 10.676 1.00 0.89 N ATOM 1341 CA VAL A 78 -1.326 -9.228 11.786 1.00 0.97 C ATOM 1342 C VAL A 78 -0.843 -10.535 12.426 1.00 1.00 C ATOM 1343 O VAL A 78 -1.230 -10.872 13.544 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.803 -9.374 11.342 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -2.999 -10.597 10.461 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -3.730 -9.423 12.548 1.00 1.66 C ATOM 0 H VAL A 78 -0.910 -8.824 9.763 1.00 0.89 H new ATOM 0 HA VAL A 78 -1.273 -8.431 12.528 1.00 0.97 H new ATOM 0 HB VAL A 78 -3.058 -8.495 10.751 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.046 -10.670 10.167 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -2.378 -10.507 9.570 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -2.714 -11.493 11.013 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -4.761 -9.526 12.210 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -3.467 -10.275 13.175 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -3.627 -8.503 13.124 1.00 1.66 H new ATOM 1356 N LEU A 79 0.000 -11.262 11.712 1.00 1.03 N ATOM 1357 CA LEU A 79 0.611 -12.469 12.241 1.00 1.12 C ATOM 1358 C LEU A 79 2.125 -12.341 12.175 1.00 1.09 C ATOM 1359 O LEU A 79 2.670 -11.910 11.160 1.00 1.19 O ATOM 1360 CB LEU A 79 0.160 -13.698 11.450 1.00 1.35 C ATOM 1361 CG LEU A 79 0.709 -15.034 11.958 1.00 1.60 C ATOM 1362 CD1 LEU A 79 0.112 -15.378 13.314 1.00 2.06 C ATOM 1363 CD2 LEU A 79 0.436 -16.141 10.953 1.00 2.29 C ATOM 0 H LEU A 79 0.278 -11.035 10.757 1.00 1.03 H new ATOM 0 HA LEU A 79 0.297 -12.594 13.277 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -0.929 -13.741 11.465 1.00 1.35 H new ATOM 0 HB3 LEU A 79 0.460 -13.572 10.410 1.00 1.35 H new ATOM 0 HG LEU A 79 1.788 -14.939 12.076 1.00 1.60 H new ATOM 0 HD11 LEU A 79 0.515 -16.331 13.658 1.00 2.06 H new ATOM 0 HD12 LEU A 79 0.365 -14.597 14.031 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -0.972 -15.453 13.226 1.00 2.06 H new ATOM 0 HD21 LEU A 79 0.834 -17.083 11.332 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -0.639 -16.236 10.800 1.00 2.29 H new ATOM 0 HD23 LEU A 79 0.917 -15.899 10.005 1.00 2.29 H new ATOM 1375 N ARG A 80 2.797 -12.693 13.255 1.00 1.18 N ATOM 1376 CA ARG A 80 4.246 -12.651 13.285 1.00 1.28 C ATOM 1377 C ARG A 80 4.805 -13.991 12.835 1.00 1.31 C ATOM 1378 O ARG A 80 4.550 -15.018 13.464 1.00 1.48 O ATOM 1379 CB ARG A 80 4.731 -12.320 14.697 1.00 1.62 C ATOM 1380 CG ARG A 80 6.240 -12.226 14.832 1.00 2.43 C ATOM 1381 CD ARG A 80 6.632 -11.917 16.264 1.00 2.82 C ATOM 1382 NE ARG A 80 8.076 -11.798 16.435 1.00 3.25 N ATOM 1383 CZ ARG A 80 8.665 -11.586 17.610 1.00 3.84 C ATOM 1384 NH1 ARG A 80 7.935 -11.475 18.710 1.00 4.09 N ATOM 1385 NH2 ARG A 80 9.982 -11.479 17.680 1.00 4.54 N ATOM 0 H ARG A 80 2.363 -13.011 14.122 1.00 1.18 H new ATOM 0 HA ARG A 80 4.598 -11.874 12.606 1.00 1.28 H new ATOM 0 HB2 ARG A 80 4.290 -11.373 15.007 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.363 -13.083 15.383 1.00 1.62 H new ATOM 0 HG2 ARG A 80 6.697 -13.165 14.519 1.00 2.43 H new ATOM 0 HG3 ARG A 80 6.622 -11.449 14.170 1.00 2.43 H new ATOM 0 HD2 ARG A 80 6.155 -10.988 16.575 1.00 2.82 H new ATOM 0 HD3 ARG A 80 6.256 -12.703 16.918 1.00 2.82 H new ATOM 0 HE ARG A 80 8.667 -11.882 15.608 1.00 3.25 H new ATOM 0 HH11 ARG A 80 6.919 -11.552 18.658 1.00 4.09 H new ATOM 0 HH12 ARG A 80 8.389 -11.313 19.609 1.00 4.09 H new ATOM 0 HH21 ARG A 80 10.546 -11.559 16.834 1.00 4.54 H new ATOM 0 HH22 ARG A 80 10.433 -11.317 18.580 1.00 4.54 H new ATOM 1399 N ALA A 81 5.569 -13.976 11.751 1.00 1.49 N ATOM 1400 CA ALA A 81 6.139 -15.195 11.200 1.00 1.84 C ATOM 1401 C ALA A 81 7.148 -14.869 10.112 1.00 1.79 C ATOM 1402 O ALA A 81 6.963 -13.919 9.348 1.00 2.59 O ATOM 1403 CB ALA A 81 5.044 -16.093 10.638 1.00 2.91 C ATOM 0 H ALA A 81 5.808 -13.129 11.235 1.00 1.49 H new ATOM 0 HA ALA A 81 6.648 -15.724 12.006 1.00 1.84 H new ATOM 0 HB1 ALA A 81 5.491 -17.000 10.230 1.00 2.91 H new ATOM 0 HB2 ALA A 81 4.347 -16.358 11.433 1.00 2.91 H new ATOM 0 HB3 ALA A 81 4.510 -15.565 9.848 1.00 2.91 H new ATOM 1409 N THR A 82 8.210 -15.655 10.037 1.00 1.83 N ATOM 1410 CA THR A 82 9.210 -15.492 8.997 1.00 2.56 C ATOM 1411 C THR A 82 8.728 -16.154 7.705 1.00 2.23 C ATOM 1412 O THR A 82 9.371 -17.056 7.160 1.00 2.92 O ATOM 1413 CB THR A 82 10.559 -16.095 9.439 1.00 3.57 C ATOM 1414 OG1 THR A 82 10.822 -15.726 10.801 1.00 4.30 O ATOM 1415 CG2 THR A 82 11.697 -15.600 8.556 1.00 4.27 C ATOM 0 H THR A 82 8.401 -16.416 10.689 1.00 1.83 H new ATOM 0 HA THR A 82 9.357 -14.427 8.817 1.00 2.56 H new ATOM 0 HB THR A 82 10.497 -17.179 9.347 1.00 3.57 H new ATOM 0 HG1 THR A 82 11.678 -16.110 11.084 1.00 4.30 H new ATOM 0 HG21 THR A 82 12.636 -16.041 8.891 1.00 4.27 H new ATOM 0 HG22 THR A 82 11.508 -15.890 7.522 1.00 4.27 H new ATOM 0 HG23 THR A 82 11.763 -14.514 8.622 1.00 4.27 H new ATOM 1423 N GLU A 83 7.571 -15.708 7.236 1.00 1.53 N ATOM 1424 CA GLU A 83 6.959 -16.252 6.037 1.00 1.50 C ATOM 1425 C GLU A 83 7.655 -15.712 4.799 1.00 1.17 C ATOM 1426 O GLU A 83 8.054 -14.545 4.758 1.00 1.67 O ATOM 1427 CB GLU A 83 5.471 -15.891 5.996 1.00 2.09 C ATOM 1428 CG GLU A 83 4.707 -16.550 4.858 1.00 2.50 C ATOM 1429 CD GLU A 83 4.710 -18.061 4.958 1.00 2.97 C ATOM 1430 OE1 GLU A 83 5.699 -18.688 4.527 1.00 3.25 O ATOM 1431 OE2 GLU A 83 3.726 -18.626 5.473 1.00 3.64 O ATOM 0 H GLU A 83 7.033 -14.961 7.676 1.00 1.53 H new ATOM 0 HA GLU A 83 7.062 -17.337 6.055 1.00 1.50 H new ATOM 0 HB2 GLU A 83 5.012 -16.177 6.942 1.00 2.09 H new ATOM 0 HB3 GLU A 83 5.372 -14.809 5.908 1.00 2.09 H new ATOM 0 HG2 GLU A 83 3.678 -16.191 4.859 1.00 2.50 H new ATOM 0 HG3 GLU A 83 5.148 -16.251 3.907 1.00 2.50 H new ATOM 1438 N ALA A 84 7.802 -16.562 3.801 1.00 1.00 N ATOM 1439 CA ALA A 84 8.405 -16.163 2.543 1.00 0.89 C ATOM 1440 C ALA A 84 7.354 -15.530 1.648 1.00 0.77 C ATOM 1441 O ALA A 84 6.357 -16.167 1.299 1.00 0.92 O ATOM 1442 CB ALA A 84 9.048 -17.358 1.856 1.00 1.27 C ATOM 0 H ALA A 84 7.510 -17.539 3.837 1.00 1.00 H new ATOM 0 HA ALA A 84 9.186 -15.429 2.741 1.00 0.89 H new ATOM 0 HB1 ALA A 84 9.495 -17.039 0.914 1.00 1.27 H new ATOM 0 HB2 ALA A 84 9.821 -17.776 2.501 1.00 1.27 H new ATOM 0 HB3 ALA A 84 8.290 -18.116 1.660 1.00 1.27 H new ATOM 1448 N PHE A 85 7.562 -14.271 1.296 1.00 0.63 N ATOM 1449 CA PHE A 85 6.621 -13.552 0.454 1.00 0.53 C ATOM 1450 C PHE A 85 7.344 -12.481 -0.352 1.00 0.51 C ATOM 1451 O PHE A 85 8.346 -11.925 0.097 1.00 0.58 O ATOM 1452 CB PHE A 85 5.495 -12.936 1.300 1.00 0.50 C ATOM 1453 CG PHE A 85 5.918 -11.816 2.209 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.605 -12.071 3.383 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.611 -10.504 1.891 1.00 1.08 C ATOM 1456 CE1 PHE A 85 6.984 -11.040 4.222 1.00 1.38 C ATOM 1457 CE2 PHE A 85 5.982 -9.469 2.724 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.670 -9.736 3.891 1.00 0.62 C ATOM 0 H PHE A 85 8.376 -13.726 1.581 1.00 0.63 H new ATOM 0 HA PHE A 85 6.169 -14.258 -0.242 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.720 -12.565 0.630 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.044 -13.723 1.905 1.00 0.50 H new ATOM 0 HD1 PHE A 85 6.848 -13.090 3.647 1.00 1.33 H new ATOM 0 HD2 PHE A 85 5.074 -10.288 0.979 1.00 1.08 H new ATOM 0 HE1 PHE A 85 7.524 -11.253 5.133 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.735 -8.451 2.464 1.00 1.09 H new ATOM 0 HZ PHE A 85 6.962 -8.927 4.544 1.00 0.62 H new ATOM 1468 N TYR A 86 6.840 -12.211 -1.543 1.00 0.49 N ATOM 1469 CA TYR A 86 7.449 -11.234 -2.428 1.00 0.55 C ATOM 1470 C TYR A 86 6.694 -9.921 -2.356 1.00 0.53 C ATOM 1471 O TYR A 86 5.507 -9.892 -2.017 1.00 0.48 O ATOM 1472 CB TYR A 86 7.467 -11.740 -3.871 1.00 0.65 C ATOM 1473 CG TYR A 86 8.259 -13.010 -4.052 1.00 0.96 C ATOM 1474 CD1 TYR A 86 9.638 -12.971 -4.209 1.00 1.96 C ATOM 1475 CD2 TYR A 86 7.631 -14.246 -4.057 1.00 1.54 C ATOM 1476 CE1 TYR A 86 10.369 -14.130 -4.365 1.00 2.64 C ATOM 1477 CE2 TYR A 86 8.355 -15.410 -4.213 1.00 2.12 C ATOM 1478 CZ TYR A 86 9.722 -15.347 -4.366 1.00 2.49 C ATOM 1479 OH TYR A 86 10.449 -16.506 -4.515 1.00 3.30 O ATOM 0 H TYR A 86 6.005 -12.658 -1.921 1.00 0.49 H new ATOM 0 HA TYR A 86 8.477 -11.078 -2.102 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.442 -11.910 -4.201 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.885 -10.966 -4.514 1.00 0.65 H new ATOM 0 HD1 TYR A 86 10.146 -12.018 -4.209 1.00 1.96 H new ATOM 0 HD2 TYR A 86 6.559 -14.298 -3.937 1.00 1.54 H new ATOM 0 HE1 TYR A 86 11.441 -14.084 -4.486 1.00 2.64 H new ATOM 0 HE2 TYR A 86 7.852 -16.366 -4.215 1.00 2.12 H new ATOM 0 HH TYR A 86 10.166 -16.967 -5.332 1.00 3.30 H new ATOM 1489 N LEU A 87 7.381 -8.845 -2.685 1.00 0.62 N ATOM 1490 CA LEU A 87 6.795 -7.524 -2.613 1.00 0.63 C ATOM 1491 C LEU A 87 6.842 -6.852 -3.981 1.00 0.67 C ATOM 1492 O LEU A 87 7.911 -6.521 -4.493 1.00 0.91 O ATOM 1493 CB LEU A 87 7.534 -6.695 -1.559 1.00 0.81 C ATOM 1494 CG LEU A 87 6.922 -5.334 -1.225 1.00 0.83 C ATOM 1495 CD1 LEU A 87 5.459 -5.477 -0.831 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.709 -4.676 -0.104 1.00 1.56 C ATOM 0 H LEU A 87 8.349 -8.861 -3.006 1.00 0.62 H new ATOM 0 HA LEU A 87 5.749 -7.603 -2.318 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.592 -7.280 -0.641 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.557 -6.537 -1.902 1.00 0.81 H new ATOM 0 HG LEU A 87 6.971 -4.705 -2.114 1.00 0.83 H new ATOM 0 HD11 LEU A 87 5.047 -4.495 -0.598 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.901 -5.918 -1.657 1.00 1.44 H new ATOM 0 HD13 LEU A 87 5.379 -6.121 0.045 1.00 1.44 H new ATOM 0 HD21 LEU A 87 7.268 -3.707 0.130 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.680 -5.311 0.782 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.744 -4.538 -0.418 1.00 1.56 H new ATOM 1508 N LEU A 88 5.670 -6.681 -4.567 1.00 0.52 N ATOM 1509 CA LEU A 88 5.527 -6.068 -5.878 1.00 0.60 C ATOM 1510 C LEU A 88 5.385 -4.563 -5.738 1.00 0.69 C ATOM 1511 O LEU A 88 4.675 -4.078 -4.857 1.00 0.75 O ATOM 1512 CB LEU A 88 4.288 -6.616 -6.607 1.00 0.63 C ATOM 1513 CG LEU A 88 4.426 -7.988 -7.286 1.00 0.70 C ATOM 1514 CD1 LEU A 88 5.446 -7.929 -8.411 1.00 1.54 C ATOM 1515 CD2 LEU A 88 4.790 -9.073 -6.279 1.00 1.48 C ATOM 0 H LEU A 88 4.786 -6.965 -4.145 1.00 0.52 H new ATOM 0 HA LEU A 88 6.419 -6.306 -6.457 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.471 -6.675 -5.888 1.00 0.63 H new ATOM 0 HB3 LEU A 88 3.993 -5.891 -7.366 1.00 0.63 H new ATOM 0 HG LEU A 88 3.457 -8.247 -7.714 1.00 0.70 H new ATOM 0 HD11 LEU A 88 5.529 -8.910 -8.879 1.00 1.54 H new ATOM 0 HD12 LEU A 88 5.126 -7.199 -9.154 1.00 1.54 H new ATOM 0 HD13 LEU A 88 6.416 -7.636 -8.008 1.00 1.54 H new ATOM 0 HD21 LEU A 88 4.880 -10.030 -6.792 1.00 1.48 H new ATOM 0 HD22 LEU A 88 5.739 -8.825 -5.804 1.00 1.48 H new ATOM 0 HD23 LEU A 88 4.011 -9.140 -5.519 1.00 1.48 H new ATOM 1527 N VAL A 89 6.045 -3.830 -6.608 1.00 0.78 N ATOM 1528 CA VAL A 89 5.916 -2.390 -6.628 1.00 0.93 C ATOM 1529 C VAL A 89 5.013 -1.982 -7.779 1.00 1.07 C ATOM 1530 O VAL A 89 5.285 -2.319 -8.936 1.00 1.19 O ATOM 1531 CB VAL A 89 7.280 -1.695 -6.772 1.00 1.10 C ATOM 1532 CG1 VAL A 89 7.126 -0.195 -6.617 1.00 1.31 C ATOM 1533 CG2 VAL A 89 8.266 -2.235 -5.751 1.00 1.11 C ATOM 0 H VAL A 89 6.678 -4.209 -7.312 1.00 0.78 H new ATOM 0 HA VAL A 89 5.483 -2.078 -5.678 1.00 0.93 H new ATOM 0 HB VAL A 89 7.670 -1.904 -7.768 1.00 1.10 H new ATOM 0 HG11 VAL A 89 8.100 0.283 -6.721 1.00 1.31 H new ATOM 0 HG12 VAL A 89 6.452 0.183 -7.386 1.00 1.31 H new ATOM 0 HG13 VAL A 89 6.715 0.029 -5.632 1.00 1.31 H new ATOM 0 HG21 VAL A 89 9.225 -1.731 -5.869 1.00 1.11 H new ATOM 0 HG22 VAL A 89 7.884 -2.056 -4.746 1.00 1.11 H new ATOM 0 HG23 VAL A 89 8.398 -3.306 -5.904 1.00 1.11 H new ATOM 1543 N ASN A 90 3.923 -1.292 -7.442 1.00 1.13 N ATOM 1544 CA ASN A 90 2.894 -0.901 -8.410 1.00 1.36 C ATOM 1545 C ASN A 90 2.328 -2.136 -9.109 1.00 1.43 C ATOM 1546 O ASN A 90 1.911 -2.081 -10.268 1.00 1.64 O ATOM 1547 CB ASN A 90 3.454 0.094 -9.435 1.00 1.58 C ATOM 1548 CG ASN A 90 2.359 0.803 -10.213 1.00 1.62 C ATOM 1549 OD1 ASN A 90 1.262 1.019 -9.703 1.00 2.22 O ATOM 1550 ND2 ASN A 90 2.649 1.175 -11.450 1.00 1.89 N ATOM 0 H ASN A 90 3.727 -0.987 -6.489 1.00 1.13 H new ATOM 0 HA ASN A 90 2.086 -0.406 -7.871 1.00 1.36 H new ATOM 0 HB2 ASN A 90 4.068 0.834 -8.921 1.00 1.58 H new ATOM 0 HB3 ASN A 90 4.106 -0.434 -10.131 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.950 1.659 -12.014 1.00 1.89 H new ATOM 0 HD22 ASN A 90 3.571 0.978 -11.839 1.00 1.89 H new ATOM 1557 N ASN A 91 2.329 -3.256 -8.380 1.00 1.31 N ATOM 1558 CA ASN A 91 1.862 -4.544 -8.904 1.00 1.48 C ATOM 1559 C ASN A 91 2.649 -4.925 -10.163 1.00 1.59 C ATOM 1560 O ASN A 91 2.172 -5.672 -11.013 1.00 1.80 O ATOM 1561 CB ASN A 91 0.352 -4.473 -9.195 1.00 1.73 C ATOM 1562 CG ASN A 91 -0.313 -5.837 -9.295 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.734 -6.408 -8.290 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -0.435 -6.356 -10.506 1.00 2.31 N ATOM 0 H ASN A 91 2.652 -3.296 -7.413 1.00 1.31 H new ATOM 0 HA ASN A 91 2.033 -5.318 -8.156 1.00 1.48 H new ATOM 0 HB2 ASN A 91 -0.135 -3.898 -8.408 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.195 -3.932 -10.128 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -0.891 -7.260 -10.630 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -0.073 -5.852 -11.316 1.00 2.31 H new ATOM 1571 N LYS A 92 3.870 -4.415 -10.267 1.00 1.53 N ATOM 1572 CA LYS A 92 4.669 -4.597 -11.469 1.00 1.72 C ATOM 1573 C LYS A 92 5.963 -5.359 -11.186 1.00 1.45 C ATOM 1574 O LYS A 92 6.115 -6.513 -11.589 1.00 1.47 O ATOM 1575 CB LYS A 92 4.988 -3.230 -12.087 1.00 2.06 C ATOM 1576 CG LYS A 92 5.813 -3.303 -13.361 1.00 2.55 C ATOM 1577 CD LYS A 92 6.169 -1.917 -13.873 1.00 3.00 C ATOM 1578 CE LYS A 92 7.005 -1.983 -15.141 1.00 3.63 C ATOM 1579 NZ LYS A 92 6.281 -2.658 -16.252 1.00 3.95 N ATOM 0 H LYS A 92 4.327 -3.873 -9.534 1.00 1.53 H new ATOM 0 HA LYS A 92 4.086 -5.194 -12.171 1.00 1.72 H new ATOM 0 HB2 LYS A 92 4.053 -2.713 -12.302 1.00 2.06 H new ATOM 0 HB3 LYS A 92 5.524 -2.628 -11.354 1.00 2.06 H new ATOM 0 HG2 LYS A 92 6.726 -3.868 -13.173 1.00 2.55 H new ATOM 0 HG3 LYS A 92 5.256 -3.843 -14.126 1.00 2.55 H new ATOM 0 HD2 LYS A 92 5.255 -1.356 -14.068 1.00 3.00 H new ATOM 0 HD3 LYS A 92 6.718 -1.375 -13.103 1.00 3.00 H new ATOM 0 HE2 LYS A 92 7.279 -0.973 -15.447 1.00 3.63 H new ATOM 0 HE3 LYS A 92 7.933 -2.517 -14.936 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 6.784 -2.491 -17.147 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 6.235 -3.680 -16.066 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 5.316 -2.275 -16.321 1.00 3.95 H new ATOM 1593 N SER A 93 6.887 -4.717 -10.485 1.00 1.35 N ATOM 1594 CA SER A 93 8.229 -5.259 -10.314 1.00 1.32 C ATOM 1595 C SER A 93 8.456 -5.804 -8.905 1.00 0.95 C ATOM 1596 O SER A 93 7.866 -5.317 -7.943 1.00 0.79 O ATOM 1597 CB SER A 93 9.246 -4.162 -10.626 1.00 1.67 C ATOM 1598 OG SER A 93 8.841 -2.926 -10.057 1.00 2.32 O ATOM 0 H SER A 93 6.733 -3.820 -10.025 1.00 1.35 H new ATOM 0 HA SER A 93 8.351 -6.097 -11.001 1.00 1.32 H new ATOM 0 HB2 SER A 93 10.224 -4.444 -10.236 1.00 1.67 H new ATOM 0 HB3 SER A 93 9.352 -4.054 -11.705 1.00 1.67 H new ATOM 0 HG SER A 93 9.374 -2.199 -10.441 1.00 2.32 H new ATOM 1604 N LEU A 94 9.304 -6.827 -8.792 1.00 0.99 N ATOM 1605 CA LEU A 94 9.664 -7.377 -7.487 1.00 0.89 C ATOM 1606 C LEU A 94 11.165 -7.613 -7.385 1.00 1.29 C ATOM 1607 O LEU A 94 11.630 -8.422 -6.581 1.00 1.99 O ATOM 1608 CB LEU A 94 8.885 -8.675 -7.192 1.00 1.28 C ATOM 1609 CG LEU A 94 8.809 -9.710 -8.334 1.00 1.37 C ATOM 1610 CD1 LEU A 94 10.159 -10.367 -8.590 1.00 1.82 C ATOM 1611 CD2 LEU A 94 7.766 -10.770 -8.015 1.00 2.04 C ATOM 0 H LEU A 94 9.751 -7.288 -9.584 1.00 0.99 H new ATOM 0 HA LEU A 94 9.386 -6.641 -6.733 1.00 0.89 H new ATOM 0 HB2 LEU A 94 9.340 -9.156 -6.326 1.00 1.28 H new ATOM 0 HB3 LEU A 94 7.868 -8.405 -6.909 1.00 1.28 H new ATOM 0 HG LEU A 94 8.519 -9.179 -9.241 1.00 1.37 H new ATOM 0 HD11 LEU A 94 10.064 -11.089 -9.401 1.00 1.82 H new ATOM 0 HD12 LEU A 94 10.888 -9.605 -8.866 1.00 1.82 H new ATOM 0 HD13 LEU A 94 10.492 -10.878 -7.687 1.00 1.82 H new ATOM 0 HD21 LEU A 94 7.722 -11.494 -8.829 1.00 2.04 H new ATOM 0 HD22 LEU A 94 8.036 -11.279 -7.090 1.00 2.04 H new ATOM 0 HD23 LEU A 94 6.791 -10.297 -7.897 1.00 2.04 H new ATOM 1623 N VAL A 95 11.917 -6.884 -8.189 1.00 1.62 N ATOM 1624 CA VAL A 95 13.365 -7.054 -8.237 1.00 2.26 C ATOM 1625 C VAL A 95 14.059 -5.794 -7.720 1.00 1.64 C ATOM 1626 O VAL A 95 15.205 -5.499 -8.059 1.00 1.76 O ATOM 1627 CB VAL A 95 13.864 -7.372 -9.670 1.00 3.39 C ATOM 1628 CG1 VAL A 95 15.256 -7.987 -9.637 1.00 4.29 C ATOM 1629 CG2 VAL A 95 12.895 -8.293 -10.393 1.00 3.92 C ATOM 0 H VAL A 95 11.554 -6.168 -8.818 1.00 1.62 H new ATOM 0 HA VAL A 95 13.615 -7.902 -7.599 1.00 2.26 H new ATOM 0 HB VAL A 95 13.916 -6.432 -10.219 1.00 3.39 H new ATOM 0 HG11 VAL A 95 15.583 -8.201 -10.654 1.00 4.29 H new ATOM 0 HG12 VAL A 95 15.951 -7.289 -9.171 1.00 4.29 H new ATOM 0 HG13 VAL A 95 15.231 -8.912 -9.062 1.00 4.29 H new ATOM 0 HG21 VAL A 95 13.269 -8.500 -11.396 1.00 3.92 H new ATOM 0 HG22 VAL A 95 12.801 -9.228 -9.841 1.00 3.92 H new ATOM 0 HG23 VAL A 95 11.919 -7.813 -10.462 1.00 3.92 H new ATOM 1639 N SER A 96 13.347 -5.040 -6.902 1.00 1.30 N ATOM 1640 CA SER A 96 13.913 -3.857 -6.293 1.00 0.98 C ATOM 1641 C SER A 96 14.211 -4.131 -4.826 1.00 0.84 C ATOM 1642 O SER A 96 13.360 -3.932 -3.967 1.00 0.92 O ATOM 1643 CB SER A 96 12.931 -2.691 -6.430 1.00 1.28 C ATOM 1644 OG SER A 96 12.456 -2.586 -7.763 1.00 1.90 O ATOM 0 H SER A 96 12.378 -5.228 -6.646 1.00 1.30 H new ATOM 0 HA SER A 96 14.843 -3.594 -6.797 1.00 0.98 H new ATOM 0 HB2 SER A 96 12.091 -2.835 -5.750 1.00 1.28 H new ATOM 0 HB3 SER A 96 13.420 -1.761 -6.139 1.00 1.28 H new ATOM 0 HG SER A 96 11.829 -1.836 -7.829 1.00 1.90 H new ATOM 1650 N MET A 97 15.406 -4.632 -4.546 1.00 0.90 N ATOM 1651 CA MET A 97 15.801 -4.915 -3.173 1.00 0.98 C ATOM 1652 C MET A 97 16.542 -3.736 -2.558 1.00 0.85 C ATOM 1653 O MET A 97 16.419 -3.466 -1.363 1.00 1.03 O ATOM 1654 CB MET A 97 16.673 -6.175 -3.101 1.00 1.25 C ATOM 1655 CG MET A 97 15.908 -7.474 -3.317 1.00 1.56 C ATOM 1656 SD MET A 97 15.284 -7.670 -5.001 1.00 2.24 S ATOM 1657 CE MET A 97 16.813 -7.840 -5.920 1.00 2.85 C ATOM 0 H MET A 97 16.115 -4.850 -5.246 1.00 0.90 H new ATOM 0 HA MET A 97 14.889 -5.086 -2.601 1.00 0.98 H new ATOM 0 HB2 MET A 97 17.461 -6.101 -3.850 1.00 1.25 H new ATOM 0 HB3 MET A 97 17.161 -6.211 -2.127 1.00 1.25 H new ATOM 0 HG2 MET A 97 16.560 -8.314 -3.079 1.00 1.56 H new ATOM 0 HG3 MET A 97 15.070 -7.513 -2.621 1.00 1.56 H new ATOM 0 HE1 MET A 97 16.604 -8.279 -6.896 1.00 2.85 H new ATOM 0 HE2 MET A 97 17.268 -6.859 -6.054 1.00 2.85 H new ATOM 0 HE3 MET A 97 17.498 -8.486 -5.371 1.00 2.85 H new ATOM 1667 N SER A 98 17.288 -3.024 -3.387 1.00 0.68 N ATOM 1668 CA SER A 98 18.141 -1.950 -2.905 1.00 0.71 C ATOM 1669 C SER A 98 17.518 -0.588 -3.186 1.00 0.61 C ATOM 1670 O SER A 98 18.022 0.441 -2.729 1.00 0.71 O ATOM 1671 CB SER A 98 19.522 -2.046 -3.557 1.00 0.83 C ATOM 1672 OG SER A 98 20.450 -1.174 -2.930 1.00 1.60 O ATOM 0 H SER A 98 17.320 -3.170 -4.396 1.00 0.68 H new ATOM 0 HA SER A 98 18.248 -2.056 -1.825 1.00 0.71 H new ATOM 0 HB2 SER A 98 19.885 -3.072 -3.496 1.00 0.83 H new ATOM 0 HB3 SER A 98 19.445 -1.798 -4.616 1.00 0.83 H new ATOM 0 HG SER A 98 19.982 -0.375 -2.608 1.00 1.60 H new ATOM 1678 N ALA A 99 16.434 -0.588 -3.949 1.00 0.49 N ATOM 1679 CA ALA A 99 15.721 0.640 -4.267 1.00 0.46 C ATOM 1680 C ALA A 99 15.162 1.278 -3.000 1.00 0.43 C ATOM 1681 O ALA A 99 14.646 0.585 -2.122 1.00 0.44 O ATOM 1682 CB ALA A 99 14.603 0.353 -5.257 1.00 0.51 C ATOM 0 H ALA A 99 16.028 -1.429 -4.360 1.00 0.49 H new ATOM 0 HA ALA A 99 16.420 1.342 -4.722 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.076 1.278 -5.488 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.025 -0.063 -6.172 1.00 0.51 H new ATOM 0 HB3 ALA A 99 13.906 -0.363 -4.821 1.00 0.51 H new ATOM 1688 N THR A 100 15.289 2.589 -2.896 1.00 0.42 N ATOM 1689 CA THR A 100 14.768 3.309 -1.748 1.00 0.41 C ATOM 1690 C THR A 100 13.336 3.751 -1.995 1.00 0.41 C ATOM 1691 O THR A 100 12.896 3.801 -3.146 1.00 0.40 O ATOM 1692 CB THR A 100 15.621 4.548 -1.418 1.00 0.41 C ATOM 1693 OG1 THR A 100 15.705 5.398 -2.570 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.018 4.142 -0.973 1.00 0.47 C ATOM 0 H THR A 100 15.748 3.176 -3.592 1.00 0.42 H new ATOM 0 HA THR A 100 14.802 2.623 -0.902 1.00 0.41 H new ATOM 0 HB THR A 100 15.144 5.088 -0.600 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.267 4.972 -3.250 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.601 5.034 -0.746 1.00 0.47 H new ATOM 0 HG22 THR A 100 16.949 3.517 -0.083 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.506 3.583 -1.771 1.00 0.47 H new ATOM 1702 N MET A 101 12.616 4.079 -0.929 1.00 0.43 N ATOM 1703 CA MET A 101 11.250 4.576 -1.060 1.00 0.45 C ATOM 1704 C MET A 101 11.218 5.802 -1.969 1.00 0.39 C ATOM 1705 O MET A 101 10.284 5.984 -2.750 1.00 0.39 O ATOM 1706 CB MET A 101 10.667 4.930 0.310 1.00 0.54 C ATOM 1707 CG MET A 101 10.564 3.757 1.282 1.00 0.71 C ATOM 1708 SD MET A 101 9.417 2.468 0.744 1.00 1.18 S ATOM 1709 CE MET A 101 10.486 1.403 -0.224 1.00 0.89 C ATOM 0 H MET A 101 12.952 4.011 0.032 1.00 0.43 H new ATOM 0 HA MET A 101 10.643 3.787 -1.503 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.284 5.706 0.763 1.00 0.54 H new ATOM 0 HB3 MET A 101 9.673 5.355 0.168 1.00 0.54 H new ATOM 0 HG2 MET A 101 11.553 3.319 1.415 1.00 0.71 H new ATOM 0 HG3 MET A 101 10.247 4.130 2.256 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.274 1.541 -1.284 1.00 0.89 H new ATOM 0 HE2 MET A 101 11.528 1.657 -0.027 1.00 0.89 H new ATOM 0 HE3 MET A 101 10.308 0.363 0.049 1.00 0.89 H new ATOM 1719 N ALA A 102 12.262 6.622 -1.879 1.00 0.38 N ATOM 1720 CA ALA A 102 12.371 7.825 -2.697 1.00 0.37 C ATOM 1721 C ALA A 102 12.374 7.479 -4.182 1.00 0.35 C ATOM 1722 O ALA A 102 11.577 8.017 -4.952 1.00 0.39 O ATOM 1723 CB ALA A 102 13.631 8.595 -2.334 1.00 0.37 C ATOM 0 H ALA A 102 13.047 6.474 -1.245 1.00 0.38 H new ATOM 0 HA ALA A 102 11.502 8.452 -2.496 1.00 0.37 H new ATOM 0 HB1 ALA A 102 13.701 9.491 -2.951 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.592 8.881 -1.283 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.504 7.966 -2.507 1.00 0.37 H new ATOM 1729 N GLU A 103 13.256 6.564 -4.573 1.00 0.34 N ATOM 1730 CA GLU A 103 13.359 6.143 -5.970 1.00 0.36 C ATOM 1731 C GLU A 103 12.072 5.466 -6.420 1.00 0.37 C ATOM 1732 O GLU A 103 11.589 5.686 -7.537 1.00 0.39 O ATOM 1733 CB GLU A 103 14.535 5.185 -6.139 1.00 0.39 C ATOM 1734 CG GLU A 103 15.842 5.765 -5.643 1.00 0.40 C ATOM 1735 CD GLU A 103 16.949 4.739 -5.579 1.00 0.43 C ATOM 1736 OE1 GLU A 103 16.964 3.950 -4.612 1.00 0.46 O ATOM 1737 OE2 GLU A 103 17.808 4.722 -6.488 1.00 0.53 O ATOM 0 H GLU A 103 13.910 6.099 -3.944 1.00 0.34 H new ATOM 0 HA GLU A 103 13.523 7.026 -6.588 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.325 4.261 -5.600 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.636 4.923 -7.192 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.145 6.580 -6.300 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.692 6.193 -4.652 1.00 0.40 H new ATOM 1744 N ILE A 104 11.527 4.645 -5.536 1.00 0.36 N ATOM 1745 CA ILE A 104 10.267 3.961 -5.793 1.00 0.37 C ATOM 1746 C ILE A 104 9.154 4.970 -6.075 1.00 0.36 C ATOM 1747 O ILE A 104 8.423 4.838 -7.053 1.00 0.38 O ATOM 1748 CB ILE A 104 9.865 3.061 -4.600 1.00 0.38 C ATOM 1749 CG1 ILE A 104 10.846 1.893 -4.451 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.440 2.546 -4.759 1.00 0.39 C ATOM 1751 CD1 ILE A 104 10.908 0.979 -5.658 1.00 0.45 C ATOM 0 H ILE A 104 11.940 4.434 -4.628 1.00 0.36 H new ATOM 0 HA ILE A 104 10.408 3.330 -6.671 1.00 0.37 H new ATOM 0 HB ILE A 104 9.906 3.665 -3.694 1.00 0.38 H new ATOM 0 HG12 ILE A 104 11.842 2.292 -4.259 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.564 1.305 -3.578 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.183 1.916 -3.907 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.751 3.390 -4.807 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.364 1.963 -5.677 1.00 0.39 H new ATOM 0 HD11 ILE A 104 11.625 0.179 -5.472 1.00 0.45 H new ATOM 0 HD12 ILE A 104 9.923 0.549 -5.840 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.221 1.551 -6.532 1.00 0.45 H new ATOM 1763 N TYR A 105 9.053 5.985 -5.228 1.00 0.36 N ATOM 1764 CA TYR A 105 8.049 7.027 -5.397 1.00 0.39 C ATOM 1765 C TYR A 105 8.203 7.731 -6.739 1.00 0.41 C ATOM 1766 O TYR A 105 7.227 7.924 -7.461 1.00 0.44 O ATOM 1767 CB TYR A 105 8.148 8.049 -4.261 1.00 0.42 C ATOM 1768 CG TYR A 105 7.241 9.251 -4.440 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.862 9.121 -4.355 1.00 1.12 C ATOM 1770 CD2 TYR A 105 7.766 10.511 -4.703 1.00 1.45 C ATOM 1771 CE1 TYR A 105 5.032 10.211 -4.525 1.00 1.11 C ATOM 1772 CE2 TYR A 105 6.940 11.606 -4.876 1.00 1.56 C ATOM 1773 CZ TYR A 105 5.573 11.449 -4.784 1.00 0.71 C ATOM 1774 OH TYR A 105 4.742 12.535 -4.961 1.00 0.86 O ATOM 0 H TYR A 105 9.656 6.109 -4.415 1.00 0.36 H new ATOM 0 HA TYR A 105 7.068 6.552 -5.370 1.00 0.39 H new ATOM 0 HB2 TYR A 105 7.903 7.557 -3.320 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.180 8.392 -4.182 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.431 8.152 -4.153 1.00 1.12 H new ATOM 0 HD2 TYR A 105 8.836 10.637 -4.773 1.00 1.45 H new ATOM 0 HE1 TYR A 105 3.961 10.092 -4.455 1.00 1.11 H new ATOM 0 HE2 TYR A 105 7.363 12.578 -5.082 1.00 1.56 H new ATOM 0 HH TYR A 105 3.924 12.410 -4.436 1.00 0.86 H new ATOM 1784 N ARG A 106 9.434 8.094 -7.074 1.00 0.44 N ATOM 1785 CA ARG A 106 9.706 8.860 -8.286 1.00 0.50 C ATOM 1786 C ARG A 106 9.246 8.124 -9.537 1.00 0.51 C ATOM 1787 O ARG A 106 8.821 8.748 -10.509 1.00 0.58 O ATOM 1788 CB ARG A 106 11.199 9.183 -8.391 1.00 0.56 C ATOM 1789 CG ARG A 106 11.717 10.047 -7.254 1.00 1.25 C ATOM 1790 CD ARG A 106 10.973 11.367 -7.174 1.00 1.75 C ATOM 1791 NE ARG A 106 11.408 12.175 -6.038 1.00 2.50 N ATOM 1792 CZ ARG A 106 11.003 13.423 -5.821 1.00 3.33 C ATOM 1793 NH1 ARG A 106 10.161 14.003 -6.668 1.00 3.62 N ATOM 1794 NH2 ARG A 106 11.437 14.090 -4.761 1.00 4.23 N ATOM 0 H ARG A 106 10.263 7.870 -6.523 1.00 0.44 H new ATOM 0 HA ARG A 106 9.139 9.789 -8.216 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.763 8.251 -8.413 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.386 9.692 -9.337 1.00 0.56 H new ATOM 0 HG2 ARG A 106 11.611 9.511 -6.311 1.00 1.25 H new ATOM 0 HG3 ARG A 106 12.781 10.236 -7.395 1.00 1.25 H new ATOM 0 HD2 ARG A 106 11.128 11.926 -8.097 1.00 1.75 H new ATOM 0 HD3 ARG A 106 9.903 11.175 -7.093 1.00 1.75 H new ATOM 0 HE ARG A 106 12.060 11.758 -5.373 1.00 2.50 H new ATOM 0 HH11 ARG A 106 9.825 13.491 -7.484 1.00 3.62 H new ATOM 0 HH12 ARG A 106 9.850 14.960 -6.503 1.00 3.62 H new ATOM 0 HH21 ARG A 106 12.084 13.646 -4.109 1.00 4.23 H new ATOM 0 HH22 ARG A 106 11.124 15.047 -4.598 1.00 4.23 H new ATOM 1808 N ASP A 107 9.319 6.803 -9.515 1.00 0.50 N ATOM 1809 CA ASP A 107 8.955 6.015 -10.684 1.00 0.55 C ATOM 1810 C ASP A 107 7.528 5.493 -10.591 1.00 0.51 C ATOM 1811 O ASP A 107 6.744 5.617 -11.532 1.00 0.62 O ATOM 1812 CB ASP A 107 9.917 4.841 -10.841 1.00 0.61 C ATOM 1813 CG ASP A 107 9.758 4.131 -12.172 1.00 0.96 C ATOM 1814 OD1 ASP A 107 9.857 4.799 -13.222 1.00 1.49 O ATOM 1815 OD2 ASP A 107 9.565 2.901 -12.178 1.00 1.77 O ATOM 0 H ASP A 107 9.624 6.257 -8.709 1.00 0.50 H new ATOM 0 HA ASP A 107 9.020 6.668 -11.554 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.942 5.200 -10.745 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.752 4.130 -10.032 1.00 0.61 H new ATOM 1820 N TYR A 108 7.191 4.929 -9.443 1.00 0.41 N ATOM 1821 CA TYR A 108 5.943 4.185 -9.289 1.00 0.39 C ATOM 1822 C TYR A 108 4.851 4.975 -8.569 1.00 0.38 C ATOM 1823 O TYR A 108 3.913 4.380 -8.037 1.00 0.40 O ATOM 1824 CB TYR A 108 6.201 2.890 -8.523 1.00 0.40 C ATOM 1825 CG TYR A 108 7.241 1.998 -9.155 1.00 0.45 C ATOM 1826 CD1 TYR A 108 6.887 1.034 -10.087 1.00 1.20 C ATOM 1827 CD2 TYR A 108 8.580 2.114 -8.808 1.00 1.32 C ATOM 1828 CE1 TYR A 108 7.836 0.209 -10.656 1.00 1.25 C ATOM 1829 CE2 TYR A 108 9.536 1.297 -9.372 1.00 1.36 C ATOM 1830 CZ TYR A 108 9.161 0.345 -10.296 1.00 0.63 C ATOM 1831 OH TYR A 108 10.109 -0.474 -10.863 1.00 0.75 O ATOM 0 H TYR A 108 7.763 4.970 -8.600 1.00 0.41 H new ATOM 0 HA TYR A 108 5.584 3.978 -10.297 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.517 3.137 -7.509 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.265 2.337 -8.440 1.00 0.40 H new ATOM 0 HD1 TYR A 108 5.851 0.927 -10.372 1.00 1.20 H new ATOM 0 HD2 TYR A 108 8.878 2.857 -8.083 1.00 1.32 H new ATOM 0 HE1 TYR A 108 7.543 -0.538 -11.379 1.00 1.25 H new ATOM 0 HE2 TYR A 108 10.574 1.402 -9.092 1.00 1.36 H new ATOM 0 HH TYR A 108 10.993 -0.249 -10.504 1.00 0.75 H new ATOM 1841 N LYS A 109 4.967 6.295 -8.524 1.00 0.42 N ATOM 1842 CA LYS A 109 3.902 7.114 -7.949 1.00 0.45 C ATOM 1843 C LYS A 109 2.622 6.975 -8.771 1.00 0.43 C ATOM 1844 O LYS A 109 2.658 6.970 -10.005 1.00 0.49 O ATOM 1845 CB LYS A 109 4.316 8.588 -7.859 1.00 0.55 C ATOM 1846 CG LYS A 109 4.734 9.203 -9.186 1.00 0.98 C ATOM 1847 CD LYS A 109 5.054 10.680 -9.027 1.00 0.95 C ATOM 1848 CE LYS A 109 5.500 11.302 -10.339 1.00 1.05 C ATOM 1849 NZ LYS A 109 5.723 12.767 -10.210 1.00 1.82 N ATOM 0 H LYS A 109 5.772 6.817 -8.871 1.00 0.42 H new ATOM 0 HA LYS A 109 3.716 6.755 -6.937 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.484 9.163 -7.452 1.00 0.55 H new ATOM 0 HB3 LYS A 109 5.142 8.679 -7.154 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.607 8.678 -9.575 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.935 9.077 -9.917 1.00 0.98 H new ATOM 0 HD2 LYS A 109 4.174 11.205 -8.656 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.838 10.804 -8.280 1.00 0.95 H new ATOM 0 HE2 LYS A 109 6.420 10.823 -10.674 1.00 1.05 H new ATOM 0 HE3 LYS A 109 4.746 11.115 -11.104 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 6.026 13.154 -11.126 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 4.839 13.228 -9.915 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 6.460 12.945 -9.498 1.00 1.82 H new ATOM 1863 N ASP A 110 1.498 6.838 -8.084 1.00 0.39 N ATOM 1864 CA ASP A 110 0.213 6.664 -8.751 1.00 0.43 C ATOM 1865 C ASP A 110 -0.386 8.026 -9.097 1.00 0.50 C ATOM 1866 O ASP A 110 0.251 9.059 -8.880 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.745 5.869 -7.853 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.917 5.258 -8.606 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.968 5.921 -8.734 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -1.798 4.103 -9.064 1.00 1.20 O ATOM 0 H ASP A 110 1.448 6.844 -7.065 1.00 0.39 H new ATOM 0 HA ASP A 110 0.366 6.106 -9.675 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.189 5.074 -7.356 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.128 6.526 -7.072 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.603 8.025 -9.620 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.273 9.245 -10.045 1.00 0.71 C ATOM 1877 C GLU A 111 -2.418 10.223 -8.884 1.00 0.65 C ATOM 1878 O GLU A 111 -2.179 11.422 -9.029 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.652 8.903 -10.611 1.00 0.87 C ATOM 1880 CG GLU A 111 -4.380 10.090 -11.214 1.00 1.94 C ATOM 1881 CD GLU A 111 -3.607 10.713 -12.354 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -3.665 10.173 -13.479 1.00 2.97 O ATOM 1883 OE2 GLU A 111 -2.940 11.744 -12.134 1.00 2.86 O ATOM 0 H GLU A 111 -2.154 7.178 -9.762 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.667 9.720 -10.817 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -3.540 8.132 -11.373 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -4.265 8.479 -9.816 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -5.359 9.770 -11.572 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -4.552 10.839 -10.441 1.00 1.94 H new ATOM 1890 N ASP A 112 -2.786 9.696 -7.725 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.047 10.522 -6.553 1.00 0.55 C ATOM 1892 C ASP A 112 -1.759 10.884 -5.822 1.00 0.52 C ATOM 1893 O ASP A 112 -1.746 11.783 -4.983 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.003 9.804 -5.599 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.621 8.353 -5.358 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.419 8.062 -5.220 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.530 7.493 -5.318 1.00 0.63 O ATOM 0 H ASP A 112 -2.911 8.696 -7.570 1.00 0.57 H new ATOM 0 HA ASP A 112 -3.509 11.447 -6.899 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.022 10.332 -4.646 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.013 9.845 -6.006 1.00 0.59 H new ATOM 1902 N GLY A 113 -0.673 10.208 -6.162 1.00 0.47 N ATOM 1903 CA GLY A 113 0.595 10.490 -5.527 1.00 0.45 C ATOM 1904 C GLY A 113 0.995 9.435 -4.515 1.00 0.36 C ATOM 1905 O GLY A 113 2.104 9.475 -3.984 1.00 0.37 O ATOM 0 H GLY A 113 -0.648 9.470 -6.866 1.00 0.47 H new ATOM 0 HA2 GLY A 113 1.369 10.566 -6.291 1.00 0.45 H new ATOM 0 HA3 GLY A 113 0.540 11.459 -5.031 1.00 0.45 H new ATOM 1909 N PHE A 114 0.100 8.497 -4.234 1.00 0.39 N ATOM 1910 CA PHE A 114 0.420 7.400 -3.333 1.00 0.34 C ATOM 1911 C PHE A 114 1.287 6.370 -4.039 1.00 0.34 C ATOM 1912 O PHE A 114 1.265 6.255 -5.266 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.846 6.709 -2.819 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.566 7.440 -1.723 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -0.944 7.674 -0.508 1.00 1.30 C ATOM 1916 CD2 PHE A 114 -2.868 7.876 -1.900 1.00 1.03 C ATOM 1917 CE1 PHE A 114 -1.606 8.333 0.507 1.00 1.35 C ATOM 1918 CE2 PHE A 114 -3.535 8.535 -0.884 1.00 1.03 C ATOM 1919 CZ PHE A 114 -2.901 8.763 0.319 1.00 0.54 C ATOM 0 H PHE A 114 -0.846 8.474 -4.614 1.00 0.39 H new ATOM 0 HA PHE A 114 0.959 7.825 -2.486 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.532 6.571 -3.655 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.579 5.716 -2.459 1.00 0.37 H new ATOM 0 HD1 PHE A 114 0.070 7.337 -0.353 1.00 1.30 H new ATOM 0 HD2 PHE A 114 -3.368 7.700 -2.841 1.00 1.03 H new ATOM 0 HE1 PHE A 114 -1.109 8.512 1.449 1.00 1.35 H new ATOM 0 HE2 PHE A 114 -4.551 8.871 -1.032 1.00 1.03 H new ATOM 0 HZ PHE A 114 -3.420 9.279 1.114 1.00 0.54 H new ATOM 1929 N VAL A 115 2.060 5.632 -3.263 1.00 0.29 N ATOM 1930 CA VAL A 115 2.809 4.510 -3.794 1.00 0.30 C ATOM 1931 C VAL A 115 2.090 3.218 -3.440 1.00 0.27 C ATOM 1932 O VAL A 115 2.047 2.827 -2.278 1.00 0.31 O ATOM 1933 CB VAL A 115 4.247 4.462 -3.238 1.00 0.37 C ATOM 1934 CG1 VAL A 115 5.028 3.316 -3.863 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.956 5.785 -3.473 1.00 1.06 C ATOM 0 H VAL A 115 2.185 5.790 -2.263 1.00 0.29 H new ATOM 0 HA VAL A 115 2.874 4.631 -4.875 1.00 0.30 H new ATOM 0 HB VAL A 115 4.191 4.290 -2.163 1.00 0.37 H new ATOM 0 HG11 VAL A 115 6.039 3.301 -3.457 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.532 2.372 -3.637 1.00 0.89 H new ATOM 0 HG13 VAL A 115 5.073 3.453 -4.943 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.969 5.731 -3.074 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.998 5.990 -4.543 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.410 6.584 -2.971 1.00 1.06 H new ATOM 1945 N TYR A 116 1.506 2.572 -4.433 1.00 0.33 N ATOM 1946 CA TYR A 116 0.768 1.342 -4.197 1.00 0.34 C ATOM 1947 C TYR A 116 1.664 0.135 -4.423 1.00 0.38 C ATOM 1948 O TYR A 116 2.247 -0.031 -5.493 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.470 1.272 -5.096 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.508 2.327 -4.771 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.378 3.624 -5.246 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -2.612 2.028 -3.983 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -2.313 4.595 -4.944 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.554 2.995 -3.678 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.397 4.277 -4.160 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.329 5.249 -3.855 1.00 0.54 O ATOM 0 H TYR A 116 1.527 2.876 -5.406 1.00 0.33 H new ATOM 0 HA TYR A 116 0.434 1.335 -3.159 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.162 1.383 -6.136 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -0.923 0.285 -5.002 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.530 3.879 -5.864 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -2.737 1.025 -3.602 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -2.193 5.600 -5.322 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -4.408 2.746 -3.065 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.421 5.863 -4.613 1.00 0.54 H new ATOM 1966 N MET A 117 1.785 -0.689 -3.398 1.00 0.35 N ATOM 1967 CA MET A 117 2.632 -1.867 -3.459 1.00 0.39 C ATOM 1968 C MET A 117 1.836 -3.103 -3.078 1.00 0.34 C ATOM 1969 O MET A 117 0.977 -3.054 -2.201 1.00 0.45 O ATOM 1970 CB MET A 117 3.850 -1.689 -2.550 1.00 0.49 C ATOM 1971 CG MET A 117 4.777 -0.575 -3.013 1.00 0.65 C ATOM 1972 SD MET A 117 6.112 -0.235 -1.856 1.00 0.70 S ATOM 1973 CE MET A 117 6.985 -1.793 -1.894 1.00 1.19 C ATOM 0 H MET A 117 1.304 -0.563 -2.507 1.00 0.35 H new ATOM 0 HA MET A 117 2.990 -1.998 -4.480 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.512 -1.476 -1.536 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.407 -2.625 -2.510 1.00 0.49 H new ATOM 0 HG2 MET A 117 5.203 -0.844 -3.980 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.195 0.334 -3.163 1.00 0.65 H new ATOM 0 HE1 MET A 117 7.855 -1.739 -1.239 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.323 -2.589 -1.554 1.00 1.19 H new ATOM 0 HE3 MET A 117 7.311 -2.003 -2.913 1.00 1.19 H new ATOM 1983 N THR A 118 2.124 -4.205 -3.739 1.00 0.34 N ATOM 1984 CA THR A 118 1.328 -5.413 -3.608 1.00 0.33 C ATOM 1985 C THR A 118 2.189 -6.553 -3.062 1.00 0.33 C ATOM 1986 O THR A 118 3.306 -6.748 -3.519 1.00 0.37 O ATOM 1987 CB THR A 118 0.772 -5.800 -4.989 1.00 0.43 C ATOM 1988 OG1 THR A 118 0.538 -4.611 -5.760 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.527 -6.575 -4.867 1.00 0.85 C ATOM 0 H THR A 118 2.913 -4.291 -4.380 1.00 0.34 H new ATOM 0 HA THR A 118 0.506 -5.232 -2.916 1.00 0.33 H new ATOM 0 HB THR A 118 1.507 -6.436 -5.482 1.00 0.43 H new ATOM 0 HG1 THR A 118 -0.205 -4.764 -6.380 1.00 0.92 H new ATOM 0 HG21 THR A 118 -0.892 -6.832 -5.861 1.00 0.85 H new ATOM 0 HG22 THR A 118 -0.354 -7.488 -4.297 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.269 -5.963 -4.355 1.00 0.85 H new ATOM 1997 N TYR A 119 1.691 -7.304 -2.093 1.00 0.35 N ATOM 1998 CA TYR A 119 2.499 -8.368 -1.502 1.00 0.41 C ATOM 1999 C TYR A 119 1.787 -9.719 -1.571 1.00 0.48 C ATOM 2000 O TYR A 119 0.562 -9.798 -1.445 1.00 0.49 O ATOM 2001 CB TYR A 119 2.893 -8.018 -0.056 1.00 0.42 C ATOM 2002 CG TYR A 119 1.770 -8.078 0.962 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.595 -7.357 0.793 1.00 1.09 C ATOM 2004 CD2 TYR A 119 1.897 -8.862 2.099 1.00 1.18 C ATOM 2005 CE1 TYR A 119 -0.423 -7.418 1.727 1.00 1.15 C ATOM 2006 CE2 TYR A 119 0.883 -8.928 3.036 1.00 1.20 C ATOM 2007 CZ TYR A 119 -0.273 -8.207 2.846 1.00 0.56 C ATOM 2008 OH TYR A 119 -1.284 -8.278 3.776 1.00 0.70 O ATOM 0 H TYR A 119 0.754 -7.204 -1.703 1.00 0.35 H new ATOM 0 HA TYR A 119 3.413 -8.454 -2.089 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.683 -8.698 0.261 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.315 -7.013 -0.046 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.474 -6.738 -0.083 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.802 -9.430 2.255 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -1.330 -6.850 1.580 1.00 1.15 H new ATOM 0 HE2 TYR A 119 0.998 -9.544 3.915 1.00 1.20 H new ATOM 0 HH TYR A 119 -1.106 -9.015 4.397 1.00 0.70 H new ATOM 2018 N ALA A 120 2.572 -10.774 -1.789 1.00 0.57 N ATOM 2019 CA ALA A 120 2.046 -12.132 -1.927 1.00 0.71 C ATOM 2020 C ALA A 120 3.072 -13.152 -1.454 1.00 0.84 C ATOM 2021 O ALA A 120 4.268 -12.996 -1.697 1.00 0.86 O ATOM 2022 CB ALA A 120 1.686 -12.413 -3.378 1.00 0.79 C ATOM 0 H ALA A 120 3.587 -10.712 -1.875 1.00 0.57 H new ATOM 0 HA ALA A 120 1.151 -12.215 -1.311 1.00 0.71 H new ATOM 0 HB1 ALA A 120 1.296 -13.427 -3.466 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.928 -11.703 -3.709 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.575 -12.311 -4.000 1.00 0.79 H new ATOM 2028 N SER A 121 2.597 -14.201 -0.794 1.00 1.00 N ATOM 2029 CA SER A 121 3.470 -15.233 -0.259 1.00 1.16 C ATOM 2030 C SER A 121 3.935 -16.156 -1.379 1.00 0.69 C ATOM 2031 O SER A 121 4.961 -16.826 -1.264 1.00 1.07 O ATOM 2032 CB SER A 121 2.744 -16.032 0.829 1.00 1.88 C ATOM 2033 OG SER A 121 3.630 -16.895 1.522 1.00 2.69 O ATOM 0 H SER A 121 1.605 -14.358 -0.617 1.00 1.00 H new ATOM 0 HA SER A 121 4.344 -14.759 0.188 1.00 1.16 H new ATOM 0 HB2 SER A 121 2.277 -15.345 1.535 1.00 1.88 H new ATOM 0 HB3 SER A 121 1.943 -16.618 0.378 1.00 1.88 H new ATOM 0 HG SER A 121 4.551 -16.584 1.400 1.00 2.69 H new ATOM 2039 N GLN A 122 3.175 -16.186 -2.460 1.00 1.13 N ATOM 2040 CA GLN A 122 3.544 -16.961 -3.627 1.00 1.61 C ATOM 2041 C GLN A 122 3.194 -16.191 -4.890 1.00 2.23 C ATOM 2042 O GLN A 122 2.090 -15.661 -5.024 1.00 2.63 O ATOM 2043 CB GLN A 122 2.829 -18.312 -3.618 1.00 2.34 C ATOM 2044 CG GLN A 122 3.273 -19.253 -4.726 1.00 2.78 C ATOM 2045 CD GLN A 122 2.441 -20.517 -4.771 1.00 3.64 C ATOM 2046 OE1 GLN A 122 1.434 -20.586 -5.475 1.00 4.18 O ATOM 2047 NE2 GLN A 122 2.859 -21.531 -4.029 1.00 4.22 N ATOM 0 H GLN A 122 2.295 -15.679 -2.552 1.00 1.13 H new ATOM 0 HA GLN A 122 4.619 -17.139 -3.605 1.00 1.61 H new ATOM 0 HB2 GLN A 122 2.998 -18.795 -2.656 1.00 2.34 H new ATOM 0 HB3 GLN A 122 1.756 -18.144 -3.706 1.00 2.34 H new ATOM 0 HG2 GLN A 122 3.204 -18.740 -5.685 1.00 2.78 H new ATOM 0 HG3 GLN A 122 4.321 -19.515 -4.580 1.00 2.78 H new ATOM 0 HE21 GLN A 122 3.699 -21.433 -3.459 1.00 4.22 H new ATOM 0 HE22 GLN A 122 2.341 -22.410 -4.028 1.00 4.22 H new ATOM 2056 N GLU A 123 4.146 -16.117 -5.800 1.00 2.65 N ATOM 2057 CA GLU A 123 3.947 -15.454 -7.072 1.00 3.47 C ATOM 2058 C GLU A 123 4.849 -16.131 -8.096 1.00 4.01 C ATOM 2059 O GLU A 123 4.386 -16.881 -8.957 1.00 4.36 O ATOM 2060 CB GLU A 123 4.276 -13.961 -6.928 1.00 3.93 C ATOM 2061 CG GLU A 123 3.626 -13.062 -7.971 1.00 4.58 C ATOM 2062 CD GLU A 123 4.090 -13.354 -9.379 1.00 5.36 C ATOM 2063 OE1 GLU A 123 5.314 -13.345 -9.616 1.00 5.57 O ATOM 2064 OE2 GLU A 123 3.233 -13.600 -10.253 1.00 6.07 O ATOM 0 H GLU A 123 5.077 -16.514 -5.678 1.00 2.65 H new ATOM 0 HA GLU A 123 2.911 -15.531 -7.401 1.00 3.47 H new ATOM 0 HB2 GLU A 123 3.965 -13.629 -5.937 1.00 3.93 H new ATOM 0 HB3 GLU A 123 5.357 -13.834 -6.982 1.00 3.93 H new ATOM 0 HG2 GLU A 123 2.544 -13.180 -7.920 1.00 4.58 H new ATOM 0 HG3 GLU A 123 3.844 -12.021 -7.732 1.00 4.58 H new ATOM 2071 N THR A 124 6.140 -15.879 -7.975 1.00 4.46 N ATOM 2072 CA THR A 124 7.142 -16.643 -8.689 1.00 5.15 C ATOM 2073 C THR A 124 7.888 -17.514 -7.681 1.00 5.52 C ATOM 2074 O THR A 124 8.917 -17.112 -7.132 1.00 6.17 O ATOM 2075 CB THR A 124 8.129 -15.729 -9.438 1.00 5.88 C ATOM 2076 OG1 THR A 124 7.414 -14.825 -10.294 1.00 5.92 O ATOM 2077 CG2 THR A 124 9.103 -16.548 -10.275 1.00 6.51 C ATOM 0 H THR A 124 6.520 -15.142 -7.381 1.00 4.46 H new ATOM 0 HA THR A 124 6.650 -17.262 -9.439 1.00 5.15 H new ATOM 0 HB THR A 124 8.692 -15.164 -8.695 1.00 5.88 H new ATOM 0 HG1 THR A 124 6.872 -14.218 -9.748 1.00 5.92 H new ATOM 0 HG21 THR A 124 9.789 -15.879 -10.794 1.00 6.51 H new ATOM 0 HG22 THR A 124 9.669 -17.215 -9.625 1.00 6.51 H new ATOM 0 HG23 THR A 124 8.549 -17.137 -11.006 1.00 6.51 H new ATOM 2085 N PHE A 125 7.324 -18.690 -7.422 1.00 5.46 N ATOM 2086 CA PHE A 125 7.802 -19.589 -6.369 1.00 6.16 C ATOM 2087 C PHE A 125 7.623 -18.936 -4.997 1.00 6.88 C ATOM 2088 O PHE A 125 6.858 -17.978 -4.857 1.00 7.17 O ATOM 2089 CB PHE A 125 9.269 -19.981 -6.601 1.00 6.69 C ATOM 2090 CG PHE A 125 9.488 -20.751 -7.874 1.00 7.02 C ATOM 2091 CD1 PHE A 125 9.043 -22.058 -7.992 1.00 7.48 C ATOM 2092 CD2 PHE A 125 10.140 -20.170 -8.952 1.00 7.20 C ATOM 2093 CE1 PHE A 125 9.241 -22.770 -9.159 1.00 8.12 C ATOM 2094 CE2 PHE A 125 10.341 -20.879 -10.121 1.00 7.81 C ATOM 2095 CZ PHE A 125 9.891 -22.180 -10.224 1.00 8.27 C ATOM 0 H PHE A 125 6.520 -19.050 -7.936 1.00 5.46 H new ATOM 0 HA PHE A 125 7.207 -20.502 -6.400 1.00 6.16 H new ATOM 0 HB2 PHE A 125 9.880 -19.078 -6.622 1.00 6.69 H new ATOM 0 HB3 PHE A 125 9.615 -20.580 -5.759 1.00 6.69 H new ATOM 0 HD1 PHE A 125 8.535 -22.526 -7.161 1.00 7.48 H new ATOM 0 HD2 PHE A 125 10.494 -19.153 -8.877 1.00 7.20 H new ATOM 0 HE1 PHE A 125 8.887 -23.787 -9.238 1.00 8.12 H new ATOM 0 HE2 PHE A 125 10.850 -20.416 -10.953 1.00 7.81 H new ATOM 0 HZ PHE A 125 10.047 -22.735 -11.137 1.00 8.27 H new ATOM 2105 N GLY A 126 8.302 -19.468 -3.988 1.00 7.47 N ATOM 2106 CA GLY A 126 8.224 -18.897 -2.659 1.00 8.43 C ATOM 2107 C GLY A 126 9.214 -19.536 -1.710 1.00 9.49 C ATOM 2108 O GLY A 126 10.376 -19.076 -1.655 1.00 9.97 O ATOM 2109 OXT GLY A 126 8.849 -20.516 -1.032 1.00 10.03 O ATOM 0 H GLY A 126 8.906 -20.286 -4.068 1.00 7.47 H new ATOM 0 HA2 GLY A 126 8.413 -17.825 -2.713 1.00 8.43 H new ATOM 0 HA3 GLY A 126 7.214 -19.023 -2.269 1.00 8.43 H new TER 2113 GLY A 126