USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 910 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 38 SER OG : rot 180:sc= 0.159 USER MOD Set 1.2: A 82 TYR OH : rot 92:sc= 0.161 USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0.167 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -138:sc= -1.07 (180deg=-4.39!) USER MOD Set 3.1: A 16 CYS SG : rot 31:sc= -0.701 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -117:sc= -0.726 (180deg=-2.52) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 1.14 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.167 (180deg=-1.06) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc=-0.00537 (180deg=-0.534) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -130:sc= -0.267 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 21 SER OG : rot -18:sc= 1.24 USER MOD Single : A 26 GLN : amide:sc= 1.09 K(o=1.1,f=-0.46) USER MOD Single : A 27 THR OG1 : rot 80:sc= -3.42! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= -0.0846 (180deg=-0.682) USER MOD Single : A 45 MET CE :methyl 166:sc= -6.34! (180deg=-6.66!) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.472) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.507 F(o=-1.2,f=-0.51) USER MOD Single : A 52 GLN : amide:sc= -3.34! C(o=-3.3!,f=-5!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -125:sc=-0.00441 (180deg=-0.123) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -4.92! C(o=-8.2!,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.044 F(o=-0.8,f=-0.044) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -4.73! C(o=-6.6!,f=-4.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -0.634 F(o=-1.8,f=-0.63) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.027) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 109 ASN :FLIP amide:sc= -2.17! F(o=-2.7,f=-2.2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.092 -9.245 -6.587 1.00 0.35 N ATOM 2 CA GLY A 1 2.626 -7.854 -6.609 1.00 41.53 C ATOM 3 C GLY A 1 4.044 -7.841 -6.039 1.00 51.51 C ATOM 4 O GLY A 1 4.243 -7.773 -4.843 1.00 31.15 O ATOM 0 H1 GLY A 1 1.127 -9.253 -6.975 1.00 0.35 H new ATOM 0 H2 GLY A 1 2.702 -9.860 -7.163 1.00 0.35 H new ATOM 0 H3 GLY A 1 2.074 -9.594 -5.608 1.00 0.35 H new ATOM 0 HA2 GLY A 1 2.630 -7.471 -7.630 1.00 41.53 H new ATOM 0 HA3 GLY A 1 1.982 -7.197 -6.024 1.00 41.53 H new ATOM 8 N SER A 2 5.034 -7.904 -6.888 1.00 73.23 N ATOM 9 CA SER A 2 6.443 -7.896 -6.395 1.00 44.33 C ATOM 10 C SER A 2 7.408 -7.725 -7.570 1.00 22.43 C ATOM 11 O SER A 2 8.101 -6.733 -7.678 1.00 42.31 O ATOM 12 CB SER A 2 6.639 -9.258 -5.732 1.00 74.44 C ATOM 13 OG SER A 2 6.182 -9.196 -4.388 1.00 4.34 O ATOM 0 H SER A 2 4.929 -7.961 -7.901 1.00 73.23 H new ATOM 0 HA SER A 2 6.636 -7.077 -5.702 1.00 44.33 H new ATOM 0 HB2 SER A 2 6.090 -10.024 -6.280 1.00 74.44 H new ATOM 0 HB3 SER A 2 7.692 -9.540 -5.758 1.00 74.44 H new ATOM 0 HG SER A 2 5.645 -8.386 -4.262 1.00 4.34 H new ATOM 19 N MET A 3 7.457 -8.685 -8.452 1.00 20.05 N ATOM 20 CA MET A 3 8.375 -8.578 -9.621 1.00 0.13 C ATOM 21 C MET A 3 7.671 -9.068 -10.889 1.00 14.31 C ATOM 22 O MET A 3 6.804 -9.918 -10.831 1.00 71.54 O ATOM 23 CB MET A 3 9.557 -9.486 -9.279 1.00 55.31 C ATOM 24 CG MET A 3 10.531 -8.737 -8.368 1.00 64.33 C ATOM 25 SD MET A 3 11.924 -8.124 -9.347 1.00 2.01 S ATOM 26 CE MET A 3 12.464 -6.838 -8.193 1.00 55.34 C ATOM 0 H MET A 3 6.901 -9.539 -8.414 1.00 20.05 H new ATOM 0 HA MET A 3 8.690 -7.552 -9.808 1.00 0.13 H new ATOM 0 HB2 MET A 3 9.203 -10.391 -8.785 1.00 55.31 H new ATOM 0 HB3 MET A 3 10.064 -9.799 -10.192 1.00 55.31 H new ATOM 0 HG2 MET A 3 10.022 -7.906 -7.880 1.00 64.33 H new ATOM 0 HG3 MET A 3 10.890 -9.399 -7.580 1.00 64.33 H new ATOM 0 HE1 MET A 3 13.331 -6.321 -8.604 1.00 55.34 H new ATOM 0 HE2 MET A 3 11.655 -6.124 -8.039 1.00 55.34 H new ATOM 0 HE3 MET A 3 12.732 -7.294 -7.240 1.00 55.34 H new ATOM 36 N PRO A 4 8.074 -8.515 -12.000 1.00 60.33 N ATOM 37 CA PRO A 4 7.479 -8.898 -13.303 1.00 42.35 C ATOM 38 C PRO A 4 7.937 -10.305 -13.697 1.00 52.31 C ATOM 39 O PRO A 4 8.848 -10.475 -14.484 1.00 12.02 O ATOM 40 CB PRO A 4 8.024 -7.850 -14.269 1.00 54.23 C ATOM 41 CG PRO A 4 9.291 -7.369 -13.639 1.00 62.43 C ATOM 42 CD PRO A 4 9.113 -7.490 -12.147 1.00 72.42 C ATOM 0 HA PRO A 4 6.389 -8.925 -13.291 1.00 42.35 H new ATOM 0 HB2 PRO A 4 8.210 -8.279 -15.254 1.00 54.23 H new ATOM 0 HB3 PRO A 4 7.316 -7.033 -14.406 1.00 54.23 H new ATOM 0 HG2 PRO A 4 10.140 -7.964 -13.976 1.00 62.43 H new ATOM 0 HG3 PRO A 4 9.494 -6.336 -13.921 1.00 62.43 H new ATOM 0 HD2 PRO A 4 10.040 -7.787 -11.656 1.00 72.42 H new ATOM 0 HD3 PRO A 4 8.806 -6.543 -11.703 1.00 72.42 H new ATOM 50 N LYS A 5 7.317 -11.316 -13.149 1.00 14.54 N ATOM 51 CA LYS A 5 7.715 -12.713 -13.483 1.00 13.44 C ATOM 52 C LYS A 5 9.103 -13.017 -12.910 1.00 4.15 C ATOM 53 O LYS A 5 9.930 -12.137 -12.784 1.00 45.21 O ATOM 54 CB LYS A 5 7.739 -12.770 -15.012 1.00 74.10 C ATOM 55 CG LYS A 5 6.865 -13.929 -15.493 1.00 31.34 C ATOM 56 CD LYS A 5 5.859 -13.417 -16.525 1.00 52.33 C ATOM 57 CE LYS A 5 5.848 -14.353 -17.735 1.00 15.13 C ATOM 58 NZ LYS A 5 7.201 -14.208 -18.344 1.00 54.24 N ATOM 0 H LYS A 5 6.550 -11.233 -12.482 1.00 14.54 H new ATOM 0 HA LYS A 5 7.029 -13.448 -13.063 1.00 13.44 H new ATOM 0 HB2 LYS A 5 7.376 -11.830 -15.427 1.00 74.10 H new ATOM 0 HB3 LYS A 5 8.762 -12.901 -15.366 1.00 74.10 H new ATOM 0 HG2 LYS A 5 7.487 -14.709 -15.932 1.00 31.34 H new ATOM 0 HG3 LYS A 5 6.340 -14.377 -14.649 1.00 31.34 H new ATOM 0 HD2 LYS A 5 4.864 -13.364 -16.083 1.00 52.33 H new ATOM 0 HD3 LYS A 5 6.123 -12.406 -16.836 1.00 52.33 H new ATOM 0 HE2 LYS A 5 5.658 -15.384 -17.436 1.00 15.13 H new ATOM 0 HE3 LYS A 5 5.065 -14.077 -18.441 1.00 15.13 H new ATOM 0 HZ1 LYS A 5 7.128 -14.301 -19.377 1.00 54.24 H new ATOM 0 HZ2 LYS A 5 7.590 -13.273 -18.107 1.00 54.24 H new ATOM 0 HZ3 LYS A 5 7.830 -14.949 -17.973 1.00 54.24 H new ATOM 72 N PRO A 6 9.308 -14.264 -12.581 1.00 72.11 N ATOM 73 CA PRO A 6 10.608 -14.698 -12.010 1.00 3.54 C ATOM 74 C PRO A 6 11.694 -14.704 -13.091 1.00 65.30 C ATOM 75 O PRO A 6 12.701 -14.035 -12.972 1.00 2.10 O ATOM 76 CB PRO A 6 10.325 -16.115 -11.514 1.00 3.32 C ATOM 77 CG PRO A 6 9.172 -16.592 -12.339 1.00 23.14 C ATOM 78 CD PRO A 6 8.359 -15.376 -12.709 1.00 2.54 C ATOM 0 HA PRO A 6 10.971 -14.039 -11.221 1.00 3.54 H new ATOM 0 HB2 PRO A 6 11.195 -16.759 -11.642 1.00 3.32 H new ATOM 0 HB3 PRO A 6 10.079 -16.120 -10.452 1.00 3.32 H new ATOM 0 HG2 PRO A 6 9.525 -17.106 -13.233 1.00 23.14 H new ATOM 0 HG3 PRO A 6 8.566 -17.305 -11.779 1.00 23.14 H new ATOM 0 HD2 PRO A 6 7.966 -15.451 -13.723 1.00 2.54 H new ATOM 0 HD3 PRO A 6 7.504 -15.250 -12.045 1.00 2.54 H new ATOM 86 N GLY A 7 11.498 -15.453 -14.138 1.00 54.23 N ATOM 87 CA GLY A 7 12.520 -15.500 -15.224 1.00 31.14 C ATOM 88 C GLY A 7 12.380 -16.808 -16.004 1.00 10.21 C ATOM 89 O GLY A 7 11.339 -17.436 -15.999 1.00 73.41 O ATOM 0 H GLY A 7 10.675 -16.036 -14.291 1.00 54.23 H new ATOM 0 HA2 GLY A 7 12.393 -14.650 -15.894 1.00 31.14 H new ATOM 0 HA3 GLY A 7 13.521 -15.424 -14.799 1.00 31.14 H new ATOM 93 N ILE A 8 13.419 -17.228 -16.674 1.00 41.11 N ATOM 94 CA ILE A 8 13.340 -18.498 -17.453 1.00 3.12 C ATOM 95 C ILE A 8 13.781 -19.681 -16.589 1.00 42.35 C ATOM 96 O ILE A 8 14.912 -19.755 -16.148 1.00 21.15 O ATOM 97 CB ILE A 8 14.305 -18.308 -18.624 1.00 64.54 C ATOM 98 CG1 ILE A 8 14.086 -16.926 -19.245 1.00 45.31 C ATOM 99 CG2 ILE A 8 14.045 -19.386 -19.677 1.00 64.21 C ATOM 100 CD1 ILE A 8 14.991 -16.771 -20.468 1.00 42.02 C ATOM 0 H ILE A 8 14.318 -16.748 -16.716 1.00 41.11 H new ATOM 0 HA ILE A 8 12.325 -18.709 -17.788 1.00 3.12 H new ATOM 0 HB ILE A 8 15.332 -18.388 -18.267 1.00 64.54 H new ATOM 0 HG12 ILE A 8 13.042 -16.806 -19.534 1.00 45.31 H new ATOM 0 HG13 ILE A 8 14.306 -16.148 -18.515 1.00 45.31 H new ATOM 0 HG21 ILE A 8 14.732 -19.252 -20.512 1.00 64.21 H new ATOM 0 HG22 ILE A 8 14.199 -20.371 -19.235 1.00 64.21 H new ATOM 0 HG23 ILE A 8 13.019 -19.305 -20.035 1.00 64.21 H new ATOM 0 HD11 ILE A 8 14.837 -15.788 -20.912 1.00 42.02 H new ATOM 0 HD12 ILE A 8 16.033 -16.873 -20.165 1.00 42.02 H new ATOM 0 HD13 ILE A 8 14.749 -17.542 -21.200 1.00 42.02 H new ATOM 112 N LEU A 9 12.898 -20.609 -16.342 1.00 0.10 N ATOM 113 CA LEU A 9 13.271 -21.787 -15.508 1.00 55.22 C ATOM 114 C LEU A 9 12.106 -22.779 -15.446 1.00 52.43 C ATOM 115 O LEU A 9 12.198 -23.890 -15.929 1.00 32.31 O ATOM 116 CB LEU A 9 13.563 -21.216 -14.120 1.00 42.20 C ATOM 117 CG LEU A 9 14.571 -22.116 -13.401 1.00 75.13 C ATOM 118 CD1 LEU A 9 14.029 -23.544 -13.343 1.00 41.43 C ATOM 119 CD2 LEU A 9 15.898 -22.104 -14.164 1.00 41.22 C ATOM 0 H LEU A 9 11.936 -20.603 -16.681 1.00 0.10 H new ATOM 0 HA LEU A 9 14.127 -22.326 -15.914 1.00 55.22 H new ATOM 0 HB2 LEU A 9 13.960 -20.204 -14.207 1.00 42.20 H new ATOM 0 HB3 LEU A 9 12.642 -21.149 -13.541 1.00 42.20 H new ATOM 0 HG LEU A 9 14.730 -21.747 -12.388 1.00 75.13 H new ATOM 0 HD11 LEU A 9 14.747 -24.185 -12.831 1.00 41.43 H new ATOM 0 HD12 LEU A 9 13.083 -23.553 -12.801 1.00 41.43 H new ATOM 0 HD13 LEU A 9 13.870 -23.914 -14.356 1.00 41.43 H new ATOM 0 HD21 LEU A 9 16.617 -22.744 -13.653 1.00 41.22 H new ATOM 0 HD22 LEU A 9 15.739 -22.473 -15.177 1.00 41.22 H new ATOM 0 HD23 LEU A 9 16.285 -21.086 -14.206 1.00 41.22 H new ATOM 131 N LYS A 10 11.013 -22.388 -14.851 1.00 41.04 N ATOM 132 CA LYS A 10 9.847 -23.313 -14.757 1.00 64.41 C ATOM 133 C LYS A 10 10.269 -24.625 -14.092 1.00 33.44 C ATOM 134 O LYS A 10 10.837 -25.495 -14.720 1.00 2.32 O ATOM 135 CB LYS A 10 9.417 -23.557 -16.204 1.00 13.51 C ATOM 136 CG LYS A 10 8.584 -22.373 -16.699 1.00 25.31 C ATOM 137 CD LYS A 10 8.944 -22.067 -18.154 1.00 52.33 C ATOM 138 CE LYS A 10 9.297 -20.585 -18.294 1.00 50.33 C ATOM 139 NZ LYS A 10 8.040 -19.857 -17.965 1.00 22.04 N ATOM 0 H LYS A 10 10.876 -21.471 -14.427 1.00 41.04 H new ATOM 0 HA LYS A 10 9.037 -22.899 -14.157 1.00 64.41 H new ATOM 0 HB2 LYS A 10 10.294 -23.687 -16.838 1.00 13.51 H new ATOM 0 HB3 LYS A 10 8.836 -24.477 -16.271 1.00 13.51 H new ATOM 0 HG2 LYS A 10 7.522 -22.603 -16.617 1.00 25.31 H new ATOM 0 HG3 LYS A 10 8.770 -21.498 -16.076 1.00 25.31 H new ATOM 0 HD2 LYS A 10 9.786 -22.683 -18.468 1.00 52.33 H new ATOM 0 HD3 LYS A 10 8.107 -22.315 -18.806 1.00 52.33 H new ATOM 0 HE2 LYS A 10 10.104 -20.306 -17.616 1.00 50.33 H new ATOM 0 HE3 LYS A 10 9.635 -20.353 -19.304 1.00 50.33 H new ATOM 0 HZ1 LYS A 10 8.010 -18.960 -18.491 1.00 22.04 H new ATOM 0 HZ2 LYS A 10 7.221 -20.441 -18.230 1.00 22.04 H new ATOM 0 HZ3 LYS A 10 8.010 -19.661 -16.944 1.00 22.04 H new ATOM 153 N SER A 11 9.996 -24.773 -12.825 1.00 22.10 N ATOM 154 CA SER A 11 10.382 -26.028 -12.118 1.00 1.34 C ATOM 155 C SER A 11 9.727 -26.076 -10.735 1.00 62.41 C ATOM 156 O SER A 11 10.387 -25.969 -9.722 1.00 13.51 O ATOM 157 CB SER A 11 11.901 -25.955 -11.987 1.00 50.23 C ATOM 158 OG SER A 11 12.372 -27.125 -11.330 1.00 34.02 O ATOM 0 H SER A 11 9.522 -24.079 -12.248 1.00 22.10 H new ATOM 0 HA SER A 11 10.061 -26.921 -12.654 1.00 1.34 H new ATOM 0 HB2 SER A 11 12.359 -25.868 -12.972 1.00 50.23 H new ATOM 0 HB3 SER A 11 12.187 -25.067 -11.423 1.00 50.23 H new ATOM 0 HG SER A 11 13.347 -27.082 -11.245 1.00 34.02 H new ATOM 164 N LYS A 12 8.431 -26.237 -10.685 1.00 33.20 N ATOM 165 CA LYS A 12 7.739 -26.290 -9.365 1.00 12.02 C ATOM 166 C LYS A 12 6.221 -26.323 -9.564 1.00 0.50 C ATOM 167 O LYS A 12 5.657 -25.503 -10.259 1.00 64.43 O ATOM 168 CB LYS A 12 8.158 -25.008 -8.644 1.00 12.52 C ATOM 169 CG LYS A 12 8.891 -25.368 -7.350 1.00 23.32 C ATOM 170 CD LYS A 12 7.954 -26.157 -6.435 1.00 54.34 C ATOM 171 CE LYS A 12 8.777 -27.095 -5.548 1.00 24.41 C ATOM 172 NZ LYS A 12 8.019 -28.378 -5.540 1.00 64.42 N ATOM 0 H LYS A 12 7.824 -26.334 -11.499 1.00 33.20 H new ATOM 0 HA LYS A 12 8.004 -27.181 -8.796 1.00 12.02 H new ATOM 0 HB2 LYS A 12 8.805 -24.411 -9.287 1.00 12.52 H new ATOM 0 HB3 LYS A 12 7.281 -24.400 -8.421 1.00 12.52 H new ATOM 0 HG2 LYS A 12 9.779 -25.959 -7.575 1.00 23.32 H new ATOM 0 HG3 LYS A 12 9.230 -24.462 -6.847 1.00 23.32 H new ATOM 0 HD2 LYS A 12 7.371 -25.474 -5.817 1.00 54.34 H new ATOM 0 HD3 LYS A 12 7.245 -26.732 -7.031 1.00 54.34 H new ATOM 0 HE2 LYS A 12 9.783 -27.233 -5.945 1.00 24.41 H new ATOM 0 HE3 LYS A 12 8.884 -26.693 -4.540 1.00 24.41 H new ATOM 0 HZ1 LYS A 12 8.520 -29.074 -4.952 1.00 64.42 H new ATOM 0 HZ2 LYS A 12 7.068 -28.217 -5.151 1.00 64.42 H new ATOM 0 HZ3 LYS A 12 7.939 -28.740 -6.512 1.00 64.42 H new ATOM 186 N SER A 13 5.555 -27.267 -8.957 1.00 1.40 N ATOM 187 CA SER A 13 4.075 -27.352 -9.112 1.00 64.15 C ATOM 188 C SER A 13 3.403 -27.433 -7.736 1.00 54.31 C ATOM 189 O SER A 13 2.587 -26.605 -7.384 1.00 31.24 O ATOM 190 CB SER A 13 3.831 -28.633 -9.906 1.00 51.33 C ATOM 191 OG SER A 13 2.602 -28.522 -10.613 1.00 54.32 O ATOM 0 H SER A 13 5.971 -27.982 -8.361 1.00 1.40 H new ATOM 0 HA SER A 13 3.662 -26.478 -9.616 1.00 64.15 H new ATOM 0 HB2 SER A 13 4.651 -28.803 -10.604 1.00 51.33 H new ATOM 0 HB3 SER A 13 3.801 -29.491 -9.234 1.00 51.33 H new ATOM 0 HG SER A 13 2.056 -29.319 -10.448 1.00 54.32 H new ATOM 197 N MET A 14 3.742 -28.424 -6.954 1.00 61.40 N ATOM 198 CA MET A 14 3.121 -28.550 -5.603 1.00 64.31 C ATOM 199 C MET A 14 1.606 -28.724 -5.734 1.00 14.34 C ATOM 200 O MET A 14 1.085 -28.916 -6.814 1.00 0.12 O ATOM 201 CB MET A 14 3.450 -27.233 -4.895 1.00 14.45 C ATOM 202 CG MET A 14 3.985 -27.527 -3.490 1.00 1.42 C ATOM 203 SD MET A 14 5.532 -26.622 -3.228 1.00 1.53 S ATOM 204 CE MET A 14 6.088 -27.544 -1.774 1.00 54.52 C ATOM 0 H MET A 14 4.419 -29.149 -7.191 1.00 61.40 H new ATOM 0 HA MET A 14 3.494 -29.414 -5.053 1.00 64.31 H new ATOM 0 HB2 MET A 14 4.191 -26.675 -5.468 1.00 14.45 H new ATOM 0 HB3 MET A 14 2.559 -26.609 -4.833 1.00 14.45 H new ATOM 0 HG2 MET A 14 3.249 -27.234 -2.741 1.00 1.42 H new ATOM 0 HG3 MET A 14 4.153 -28.597 -3.370 1.00 1.42 H new ATOM 0 HE1 MET A 14 7.045 -27.147 -1.435 1.00 54.52 H new ATOM 0 HE2 MET A 14 5.351 -27.445 -0.977 1.00 54.52 H new ATOM 0 HE3 MET A 14 6.204 -28.596 -2.033 1.00 54.52 H new ATOM 214 N PHE A 15 0.895 -28.655 -4.642 1.00 13.24 N ATOM 215 CA PHE A 15 -0.586 -28.811 -4.708 1.00 11.40 C ATOM 216 C PHE A 15 -1.261 -27.461 -4.460 1.00 12.14 C ATOM 217 O PHE A 15 -0.785 -26.653 -3.687 1.00 41.31 O ATOM 218 CB PHE A 15 -0.938 -29.798 -3.595 1.00 12.24 C ATOM 219 CG PHE A 15 -2.425 -29.758 -3.338 1.00 12.32 C ATOM 220 CD1 PHE A 15 -2.980 -28.710 -2.596 1.00 32.30 C ATOM 221 CD2 PHE A 15 -3.249 -30.768 -3.847 1.00 43.50 C ATOM 222 CE1 PHE A 15 -4.359 -28.673 -2.359 1.00 72.13 C ATOM 223 CE2 PHE A 15 -4.628 -30.733 -3.610 1.00 74.31 C ATOM 224 CZ PHE A 15 -5.185 -29.684 -2.866 1.00 54.12 C ATOM 0 H PHE A 15 1.275 -28.498 -3.708 1.00 13.24 H new ATOM 0 HA PHE A 15 -0.922 -29.167 -5.682 1.00 11.40 H new ATOM 0 HB2 PHE A 15 -0.634 -30.806 -3.879 1.00 12.24 H new ATOM 0 HB3 PHE A 15 -0.394 -29.545 -2.685 1.00 12.24 H new ATOM 0 HD1 PHE A 15 -2.344 -27.929 -2.206 1.00 32.30 H new ATOM 0 HD2 PHE A 15 -2.821 -31.575 -4.423 1.00 43.50 H new ATOM 0 HE1 PHE A 15 -4.786 -27.864 -1.785 1.00 72.13 H new ATOM 0 HE2 PHE A 15 -5.263 -31.514 -4.001 1.00 74.31 H new ATOM 0 HZ PHE A 15 -6.249 -29.655 -2.684 1.00 54.12 H new ATOM 234 N CYS A 16 -2.362 -27.206 -5.109 1.00 31.22 N ATOM 235 CA CYS A 16 -3.053 -25.900 -4.902 1.00 51.01 C ATOM 236 C CYS A 16 -4.564 -26.048 -5.097 1.00 54.12 C ATOM 237 O CYS A 16 -5.029 -26.918 -5.806 1.00 43.42 O ATOM 238 CB CYS A 16 -2.464 -24.974 -5.967 1.00 11.12 C ATOM 239 SG CYS A 16 -1.062 -24.066 -5.271 1.00 22.24 S ATOM 0 H CYS A 16 -2.812 -27.839 -5.770 1.00 31.22 H new ATOM 0 HA CYS A 16 -2.907 -25.516 -3.892 1.00 51.01 H new ATOM 0 HB2 CYS A 16 -2.141 -25.555 -6.831 1.00 11.12 H new ATOM 0 HB3 CYS A 16 -3.224 -24.276 -6.318 1.00 11.12 H new ATOM 0 HG CYS A 16 -0.477 -24.796 -4.368 1.00 22.24 H new ATOM 245 N VAL A 17 -5.331 -25.195 -4.475 1.00 63.21 N ATOM 246 CA VAL A 17 -6.814 -25.275 -4.623 1.00 42.50 C ATOM 247 C VAL A 17 -7.329 -24.015 -5.325 1.00 34.11 C ATOM 248 O VAL A 17 -7.084 -22.908 -4.888 1.00 40.41 O ATOM 249 CB VAL A 17 -7.380 -25.357 -3.201 1.00 64.54 C ATOM 250 CG1 VAL A 17 -8.720 -26.094 -3.229 1.00 70.44 C ATOM 251 CG2 VAL A 17 -6.411 -26.114 -2.283 1.00 40.33 C ATOM 0 H VAL A 17 -4.996 -24.445 -3.870 1.00 63.21 H new ATOM 0 HA VAL A 17 -7.116 -26.137 -5.218 1.00 42.50 H new ATOM 0 HB VAL A 17 -7.517 -24.345 -2.819 1.00 64.54 H new ATOM 0 HG11 VAL A 17 -9.124 -26.153 -2.218 1.00 70.44 H new ATOM 0 HG12 VAL A 17 -9.419 -25.554 -3.868 1.00 70.44 H new ATOM 0 HG13 VAL A 17 -8.574 -27.101 -3.621 1.00 70.44 H new ATOM 0 HG21 VAL A 17 -6.827 -26.164 -1.277 1.00 40.33 H new ATOM 0 HG22 VAL A 17 -6.262 -27.124 -2.665 1.00 40.33 H new ATOM 0 HG23 VAL A 17 -5.454 -25.592 -2.255 1.00 40.33 H new ATOM 261 N ILE A 18 -8.032 -24.172 -6.409 1.00 72.02 N ATOM 262 CA ILE A 18 -8.555 -22.980 -7.134 1.00 31.21 C ATOM 263 C ILE A 18 -10.020 -22.731 -6.764 1.00 23.25 C ATOM 264 O ILE A 18 -10.895 -23.503 -7.100 1.00 13.43 O ATOM 265 CB ILE A 18 -8.419 -23.330 -8.617 1.00 2.45 C ATOM 266 CG1 ILE A 18 -6.941 -23.299 -9.011 1.00 52.23 C ATOM 267 CG2 ILE A 18 -9.190 -22.313 -9.457 1.00 35.14 C ATOM 268 CD1 ILE A 18 -6.382 -24.724 -9.011 1.00 64.24 C ATOM 0 H ILE A 18 -8.268 -25.073 -6.826 1.00 72.02 H new ATOM 0 HA ILE A 18 -8.012 -22.070 -6.880 1.00 31.21 H new ATOM 0 HB ILE A 18 -8.825 -24.326 -8.794 1.00 2.45 H new ATOM 0 HG12 ILE A 18 -6.826 -22.852 -9.999 1.00 52.23 H new ATOM 0 HG13 ILE A 18 -6.381 -22.677 -8.313 1.00 52.23 H new ATOM 0 HG21 ILE A 18 -9.092 -22.564 -10.513 1.00 35.14 H new ATOM 0 HG22 ILE A 18 -10.243 -22.332 -9.176 1.00 35.14 H new ATOM 0 HG23 ILE A 18 -8.786 -21.316 -9.282 1.00 35.14 H new ATOM 0 HD11 ILE A 18 -5.329 -24.702 -9.292 1.00 64.24 H new ATOM 0 HD12 ILE A 18 -6.483 -25.154 -8.015 1.00 64.24 H new ATOM 0 HD13 ILE A 18 -6.936 -25.332 -9.727 1.00 64.24 H new ATOM 280 N TYR A 19 -10.289 -21.656 -6.074 1.00 63.13 N ATOM 281 CA TYR A 19 -11.694 -21.351 -5.676 1.00 44.35 C ATOM 282 C TYR A 19 -12.374 -20.498 -6.749 1.00 44.21 C ATOM 283 O TYR A 19 -11.724 -19.902 -7.585 1.00 11.01 O ATOM 284 CB TYR A 19 -11.574 -20.562 -4.374 1.00 63.24 C ATOM 285 CG TYR A 19 -11.372 -21.513 -3.219 1.00 51.02 C ATOM 286 CD1 TYR A 19 -10.081 -21.948 -2.887 1.00 22.20 C ATOM 287 CD2 TYR A 19 -12.472 -21.960 -2.478 1.00 62.33 C ATOM 288 CE1 TYR A 19 -9.893 -22.826 -1.815 1.00 61.41 C ATOM 289 CE2 TYR A 19 -12.282 -22.839 -1.405 1.00 22.05 C ATOM 290 CZ TYR A 19 -10.993 -23.271 -1.073 1.00 40.35 C ATOM 291 OH TYR A 19 -10.807 -24.137 -0.014 1.00 3.14 O ATOM 0 H TYR A 19 -9.595 -20.974 -5.768 1.00 63.13 H new ATOM 0 HA TYR A 19 -12.292 -22.254 -5.556 1.00 44.35 H new ATOM 0 HB2 TYR A 19 -10.737 -19.866 -4.435 1.00 63.24 H new ATOM 0 HB3 TYR A 19 -12.473 -19.967 -4.214 1.00 63.24 H new ATOM 0 HD1 TYR A 19 -9.232 -21.605 -3.459 1.00 22.20 H new ATOM 0 HD2 TYR A 19 -13.467 -21.627 -2.734 1.00 62.33 H new ATOM 0 HE1 TYR A 19 -8.899 -23.161 -1.560 1.00 61.41 H new ATOM 0 HE2 TYR A 19 -13.131 -23.184 -0.833 1.00 22.05 H new ATOM 0 HH TYR A 19 -11.673 -24.346 0.394 1.00 3.14 H new ATOM 301 N ARG A 20 -13.678 -20.429 -6.731 1.00 52.03 N ATOM 302 CA ARG A 20 -14.391 -19.609 -7.749 1.00 43.14 C ATOM 303 C ARG A 20 -15.385 -18.657 -7.069 1.00 14.32 C ATOM 304 O ARG A 20 -16.050 -19.009 -6.116 1.00 13.54 O ATOM 305 CB ARG A 20 -15.126 -20.619 -8.632 1.00 1.23 C ATOM 306 CG ARG A 20 -16.205 -21.329 -7.815 1.00 53.11 C ATOM 307 CD ARG A 20 -17.573 -21.082 -8.451 1.00 34.02 C ATOM 308 NE ARG A 20 -18.453 -22.146 -7.895 1.00 61.42 N ATOM 309 CZ ARG A 20 -18.263 -23.393 -8.226 1.00 42.51 C ATOM 310 NH1 ARG A 20 -18.063 -23.714 -9.476 1.00 61.13 N ATOM 311 NH2 ARG A 20 -18.272 -24.322 -7.308 1.00 71.05 N ATOM 0 H ARG A 20 -14.278 -20.904 -6.057 1.00 52.03 H new ATOM 0 HA ARG A 20 -13.708 -18.987 -8.327 1.00 43.14 H new ATOM 0 HB2 ARG A 20 -15.577 -20.111 -9.484 1.00 1.23 H new ATOM 0 HB3 ARG A 20 -14.421 -21.348 -9.032 1.00 1.23 H new ATOM 0 HG2 ARG A 20 -15.999 -22.399 -7.773 1.00 53.11 H new ATOM 0 HG3 ARG A 20 -16.198 -20.963 -6.788 1.00 53.11 H new ATOM 0 HD2 ARG A 20 -17.950 -20.089 -8.204 1.00 34.02 H new ATOM 0 HD3 ARG A 20 -17.520 -21.142 -9.538 1.00 34.02 H new ATOM 0 HE ARG A 20 -19.207 -21.899 -7.253 1.00 61.42 H new ATOM 0 HH11 ARG A 20 -18.055 -22.989 -10.194 1.00 61.13 H new ATOM 0 HH12 ARG A 20 -17.914 -24.689 -9.735 1.00 61.13 H new ATOM 0 HH21 ARG A 20 -18.428 -24.072 -6.331 1.00 71.05 H new ATOM 0 HH22 ARG A 20 -18.123 -25.297 -7.568 1.00 71.05 H new ATOM 325 N SER A 21 -15.481 -17.452 -7.555 1.00 1.11 N ATOM 326 CA SER A 21 -16.429 -16.473 -6.944 1.00 32.42 C ATOM 327 C SER A 21 -17.874 -16.887 -7.233 1.00 32.54 C ATOM 328 O SER A 21 -18.207 -17.296 -8.327 1.00 44.31 O ATOM 329 CB SER A 21 -16.109 -15.140 -7.618 1.00 23.24 C ATOM 330 OG SER A 21 -14.914 -14.605 -7.062 1.00 5.42 O ATOM 0 H SER A 21 -14.945 -17.100 -8.349 1.00 1.11 H new ATOM 0 HA SER A 21 -16.325 -16.417 -5.860 1.00 32.42 H new ATOM 0 HB2 SER A 21 -15.992 -15.282 -8.692 1.00 23.24 H new ATOM 0 HB3 SER A 21 -16.934 -14.441 -7.477 1.00 23.24 H new ATOM 0 HG SER A 21 -14.729 -15.041 -6.204 1.00 5.42 H new ATOM 336 N SER A 22 -18.734 -16.786 -6.257 1.00 11.44 N ATOM 337 CA SER A 22 -20.156 -17.178 -6.470 1.00 41.51 C ATOM 338 C SER A 22 -20.721 -16.511 -7.727 1.00 4.42 C ATOM 339 O SER A 22 -21.445 -17.121 -8.489 1.00 13.13 O ATOM 340 CB SER A 22 -20.896 -16.689 -5.225 1.00 52.33 C ATOM 341 OG SER A 22 -19.960 -16.460 -4.181 1.00 12.51 O ATOM 0 H SER A 22 -18.513 -16.449 -5.320 1.00 11.44 H new ATOM 0 HA SER A 22 -20.263 -18.253 -6.614 1.00 41.51 H new ATOM 0 HB2 SER A 22 -21.440 -15.771 -5.449 1.00 52.33 H new ATOM 0 HB3 SER A 22 -21.633 -17.429 -4.912 1.00 52.33 H new ATOM 0 HG SER A 22 -20.432 -16.145 -3.382 1.00 12.51 H new ATOM 347 N LYS A 23 -20.406 -15.264 -7.952 1.00 21.14 N ATOM 348 CA LYS A 23 -20.942 -14.575 -9.164 1.00 52.22 C ATOM 349 C LYS A 23 -20.026 -13.421 -9.586 1.00 55.33 C ATOM 350 O LYS A 23 -20.076 -12.339 -9.034 1.00 41.10 O ATOM 351 CB LYS A 23 -22.313 -14.043 -8.741 1.00 13.42 C ATOM 352 CG LYS A 23 -22.139 -12.988 -7.649 1.00 14.11 C ATOM 353 CD LYS A 23 -23.035 -13.331 -6.459 1.00 11.34 C ATOM 354 CE LYS A 23 -22.483 -12.666 -5.197 1.00 4.01 C ATOM 355 NZ LYS A 23 -21.055 -13.088 -5.135 1.00 54.24 N ATOM 0 H LYS A 23 -19.806 -14.695 -7.355 1.00 21.14 H new ATOM 0 HA LYS A 23 -21.006 -15.248 -10.019 1.00 52.22 H new ATOM 0 HB2 LYS A 23 -22.827 -13.611 -9.599 1.00 13.42 H new ATOM 0 HB3 LYS A 23 -22.934 -14.860 -8.375 1.00 13.42 H new ATOM 0 HG2 LYS A 23 -21.097 -12.946 -7.332 1.00 14.11 H new ATOM 0 HG3 LYS A 23 -22.394 -12.002 -8.037 1.00 14.11 H new ATOM 0 HD2 LYS A 23 -24.053 -12.990 -6.647 1.00 11.34 H new ATOM 0 HD3 LYS A 23 -23.080 -14.412 -6.324 1.00 11.34 H new ATOM 0 HE2 LYS A 23 -22.572 -11.581 -5.251 1.00 4.01 H new ATOM 0 HE3 LYS A 23 -23.029 -12.987 -4.310 1.00 4.01 H new ATOM 0 HZ1 LYS A 23 -20.807 -13.330 -4.155 1.00 54.24 H new ATOM 0 HZ2 LYS A 23 -20.912 -13.919 -5.744 1.00 54.24 H new ATOM 0 HZ3 LYS A 23 -20.448 -12.310 -5.463 1.00 54.24 H new ATOM 369 N ARG A 24 -19.197 -13.638 -10.571 1.00 71.23 N ATOM 370 CA ARG A 24 -18.290 -12.549 -11.034 1.00 71.14 C ATOM 371 C ARG A 24 -17.815 -12.837 -12.461 1.00 44.40 C ATOM 372 O ARG A 24 -18.079 -13.887 -13.011 1.00 24.53 O ATOM 373 CB ARG A 24 -17.113 -12.570 -10.059 1.00 15.21 C ATOM 374 CG ARG A 24 -17.416 -11.656 -8.870 1.00 33.31 C ATOM 375 CD ARG A 24 -16.162 -10.858 -8.500 1.00 55.15 C ATOM 376 NE ARG A 24 -16.352 -9.524 -9.133 1.00 22.21 N ATOM 377 CZ ARG A 24 -16.828 -8.528 -8.433 1.00 2.24 C ATOM 378 NH1 ARG A 24 -17.557 -8.762 -7.377 1.00 32.32 N ATOM 379 NH2 ARG A 24 -16.573 -7.299 -8.790 1.00 53.31 N ATOM 0 H ARG A 24 -19.109 -14.521 -11.074 1.00 71.23 H new ATOM 0 HA ARG A 24 -18.782 -11.577 -11.051 1.00 71.14 H new ATOM 0 HB2 ARG A 24 -16.933 -13.588 -9.712 1.00 15.21 H new ATOM 0 HB3 ARG A 24 -16.204 -12.240 -10.563 1.00 15.21 H new ATOM 0 HG2 ARG A 24 -18.231 -10.976 -9.120 1.00 33.31 H new ATOM 0 HG3 ARG A 24 -17.746 -12.250 -8.017 1.00 33.31 H new ATOM 0 HD2 ARG A 24 -16.055 -10.770 -7.419 1.00 55.15 H new ATOM 0 HD3 ARG A 24 -15.260 -11.346 -8.871 1.00 55.15 H new ATOM 0 HE ARG A 24 -16.110 -9.387 -10.114 1.00 22.21 H new ATOM 0 HH11 ARG A 24 -17.756 -9.722 -7.097 1.00 32.32 H new ATOM 0 HH12 ARG A 24 -17.928 -7.984 -6.831 1.00 32.32 H new ATOM 0 HH21 ARG A 24 -16.002 -7.116 -9.615 1.00 53.31 H new ATOM 0 HH22 ARG A 24 -16.944 -6.522 -8.244 1.00 53.31 H new ATOM 393 N ASP A 25 -17.118 -11.915 -13.064 1.00 14.02 N ATOM 394 CA ASP A 25 -16.627 -12.140 -14.453 1.00 11.32 C ATOM 395 C ASP A 25 -15.786 -13.415 -14.511 1.00 14.04 C ATOM 396 O ASP A 25 -16.046 -14.313 -15.288 1.00 64.24 O ATOM 397 CB ASP A 25 -15.770 -10.916 -14.773 1.00 54.23 C ATOM 398 CG ASP A 25 -16.350 -10.186 -15.985 1.00 75.12 C ATOM 399 OD1 ASP A 25 -16.446 -10.800 -17.033 1.00 53.14 O ATOM 400 OD2 ASP A 25 -16.693 -9.023 -15.842 1.00 10.11 O ATOM 0 H ASP A 25 -16.867 -11.015 -12.655 1.00 14.02 H new ATOM 0 HA ASP A 25 -17.442 -12.263 -15.167 1.00 11.32 H new ATOM 0 HB2 ASP A 25 -15.739 -10.247 -13.913 1.00 54.23 H new ATOM 0 HB3 ASP A 25 -14.744 -11.221 -14.977 1.00 54.23 H new ATOM 405 N GLN A 26 -14.777 -13.496 -13.691 1.00 1.44 N ATOM 406 CA GLN A 26 -13.910 -14.708 -13.687 1.00 13.33 C ATOM 407 C GLN A 26 -12.884 -14.603 -12.555 1.00 13.02 C ATOM 408 O GLN A 26 -11.692 -14.679 -12.774 1.00 55.32 O ATOM 409 CB GLN A 26 -13.213 -14.700 -15.048 1.00 35.32 C ATOM 410 CG GLN A 26 -13.753 -15.848 -15.904 1.00 12.41 C ATOM 411 CD GLN A 26 -13.957 -15.363 -17.340 1.00 14.25 C ATOM 412 OE1 GLN A 26 -13.146 -15.624 -18.203 1.00 14.45 O ATOM 413 NE2 GLN A 26 -15.018 -14.662 -17.635 1.00 72.24 N ATOM 0 H GLN A 26 -14.514 -12.773 -13.021 1.00 1.44 H new ATOM 0 HA GLN A 26 -14.474 -15.627 -13.528 1.00 13.33 H new ATOM 0 HB2 GLN A 26 -13.382 -13.747 -15.550 1.00 35.32 H new ATOM 0 HB3 GLN A 26 -12.136 -14.805 -14.918 1.00 35.32 H new ATOM 0 HG2 GLN A 26 -13.057 -16.686 -15.888 1.00 12.41 H new ATOM 0 HG3 GLN A 26 -14.696 -16.209 -15.494 1.00 12.41 H new ATOM 0 HE21 GLN A 26 -15.701 -14.442 -16.910 1.00 72.24 H new ATOM 0 HE22 GLN A 26 -15.164 -14.335 -18.590 1.00 72.24 H new ATOM 422 N THR A 27 -13.341 -14.416 -11.348 1.00 64.05 N ATOM 423 CA THR A 27 -12.399 -14.294 -10.200 1.00 31.54 C ATOM 424 C THR A 27 -12.153 -15.663 -9.559 1.00 63.04 C ATOM 425 O THR A 27 -13.078 -16.398 -9.262 1.00 34.35 O ATOM 426 CB THR A 27 -13.101 -13.362 -9.213 1.00 21.01 C ATOM 427 OG1 THR A 27 -13.154 -12.053 -9.760 1.00 2.20 O ATOM 428 CG2 THR A 27 -12.329 -13.336 -7.894 1.00 71.12 C ATOM 0 H THR A 27 -14.329 -14.342 -11.106 1.00 64.05 H new ATOM 0 HA THR A 27 -11.426 -13.911 -10.507 1.00 31.54 H new ATOM 0 HB THR A 27 -14.113 -13.722 -9.029 1.00 21.01 H new ATOM 0 HG1 THR A 27 -13.890 -11.998 -10.405 1.00 2.20 H new ATOM 0 HG21 THR A 27 -12.831 -12.671 -7.192 1.00 71.12 H new ATOM 0 HG22 THR A 27 -12.289 -14.342 -7.476 1.00 71.12 H new ATOM 0 HG23 THR A 27 -11.316 -12.977 -8.073 1.00 71.12 H new ATOM 436 N TYR A 28 -10.915 -16.009 -9.339 1.00 63.43 N ATOM 437 CA TYR A 28 -10.608 -17.327 -8.711 1.00 22.12 C ATOM 438 C TYR A 28 -9.516 -17.164 -7.654 1.00 61.42 C ATOM 439 O TYR A 28 -8.631 -16.340 -7.782 1.00 0.25 O ATOM 440 CB TYR A 28 -10.116 -18.207 -9.861 1.00 40.11 C ATOM 441 CG TYR A 28 -11.299 -18.692 -10.663 1.00 51.01 C ATOM 442 CD1 TYR A 28 -11.974 -17.814 -11.519 1.00 2.03 C ATOM 443 CD2 TYR A 28 -11.722 -20.023 -10.549 1.00 3.44 C ATOM 444 CE1 TYR A 28 -13.070 -18.264 -12.263 1.00 43.41 C ATOM 445 CE2 TYR A 28 -12.819 -20.473 -11.295 1.00 3.40 C ATOM 446 CZ TYR A 28 -13.493 -19.593 -12.152 1.00 2.42 C ATOM 447 OH TYR A 28 -14.574 -20.037 -12.884 1.00 53.41 O ATOM 0 H TYR A 28 -10.102 -15.437 -9.567 1.00 63.43 H new ATOM 0 HA TYR A 28 -11.474 -17.759 -8.209 1.00 22.12 H new ATOM 0 HB2 TYR A 28 -9.436 -17.643 -10.500 1.00 40.11 H new ATOM 0 HB3 TYR A 28 -9.555 -19.056 -9.470 1.00 40.11 H new ATOM 0 HD1 TYR A 28 -11.648 -16.788 -11.605 1.00 2.03 H new ATOM 0 HD2 TYR A 28 -11.203 -20.701 -9.887 1.00 3.44 H new ATOM 0 HE1 TYR A 28 -13.590 -17.585 -12.923 1.00 43.41 H new ATOM 0 HE2 TYR A 28 -13.145 -21.499 -11.209 1.00 3.40 H new ATOM 0 HH TYR A 28 -14.733 -20.984 -12.690 1.00 53.41 H new ATOM 457 N LEU A 29 -9.570 -17.942 -6.607 1.00 62.21 N ATOM 458 CA LEU A 29 -8.534 -17.827 -5.543 1.00 71.35 C ATOM 459 C LEU A 29 -7.608 -19.044 -5.576 1.00 5.41 C ATOM 460 O LEU A 29 -7.988 -20.116 -5.998 1.00 41.41 O ATOM 461 CB LEU A 29 -9.317 -17.783 -4.231 1.00 44.35 C ATOM 462 CG LEU A 29 -9.227 -16.380 -3.633 1.00 25.14 C ATOM 463 CD1 LEU A 29 -9.878 -16.370 -2.249 1.00 23.32 C ATOM 464 CD2 LEU A 29 -7.758 -15.975 -3.509 1.00 51.01 C ATOM 0 H LEU A 29 -10.285 -18.650 -6.443 1.00 62.21 H new ATOM 0 HA LEU A 29 -7.905 -16.946 -5.671 1.00 71.35 H new ATOM 0 HB2 LEU A 29 -10.359 -18.049 -4.408 1.00 44.35 H new ATOM 0 HB3 LEU A 29 -8.916 -18.515 -3.530 1.00 44.35 H new ATOM 0 HG LEU A 29 -9.746 -15.674 -4.281 1.00 25.14 H new ATOM 0 HD11 LEU A 29 -9.813 -15.369 -1.824 1.00 23.32 H new ATOM 0 HD12 LEU A 29 -10.925 -16.660 -2.337 1.00 23.32 H new ATOM 0 HD13 LEU A 29 -9.360 -17.075 -1.598 1.00 23.32 H new ATOM 0 HD21 LEU A 29 -7.691 -14.974 -3.083 1.00 51.01 H new ATOM 0 HD22 LEU A 29 -7.239 -16.681 -2.860 1.00 51.01 H new ATOM 0 HD23 LEU A 29 -7.295 -15.981 -4.496 1.00 51.01 H new ATOM 476 N TYR A 30 -6.388 -18.885 -5.131 1.00 3.54 N ATOM 477 CA TYR A 30 -5.437 -20.035 -5.138 1.00 62.33 C ATOM 478 C TYR A 30 -4.797 -20.199 -3.756 1.00 65.40 C ATOM 479 O TYR A 30 -4.438 -19.235 -3.110 1.00 70.03 O ATOM 480 CB TYR A 30 -4.377 -19.668 -6.178 1.00 73.21 C ATOM 481 CG TYR A 30 -4.972 -19.762 -7.565 1.00 74.13 C ATOM 482 CD1 TYR A 30 -5.854 -18.773 -8.017 1.00 24.42 C ATOM 483 CD2 TYR A 30 -4.635 -20.836 -8.398 1.00 50.02 C ATOM 484 CE1 TYR A 30 -6.402 -18.862 -9.303 1.00 31.23 C ATOM 485 CE2 TYR A 30 -5.182 -20.922 -9.684 1.00 42.34 C ATOM 486 CZ TYR A 30 -6.065 -19.936 -10.135 1.00 24.04 C ATOM 487 OH TYR A 30 -6.603 -20.020 -11.404 1.00 20.31 O ATOM 0 H TYR A 30 -6.011 -18.011 -4.764 1.00 3.54 H new ATOM 0 HA TYR A 30 -5.931 -20.977 -5.375 1.00 62.33 H new ATOM 0 HB2 TYR A 30 -4.010 -18.658 -5.997 1.00 73.21 H new ATOM 0 HB3 TYR A 30 -3.522 -20.338 -6.092 1.00 73.21 H new ATOM 0 HD1 TYR A 30 -6.111 -17.943 -7.375 1.00 24.42 H new ATOM 0 HD2 TYR A 30 -3.954 -21.598 -8.049 1.00 50.02 H new ATOM 0 HE1 TYR A 30 -7.085 -18.102 -9.653 1.00 31.23 H new ATOM 0 HE2 TYR A 30 -4.922 -21.750 -10.327 1.00 42.34 H new ATOM 0 HH TYR A 30 -6.266 -20.825 -11.850 1.00 20.31 H new ATOM 497 N VAL A 31 -4.650 -21.412 -3.302 1.00 71.23 N ATOM 498 CA VAL A 31 -4.029 -21.642 -1.961 1.00 53.21 C ATOM 499 C VAL A 31 -3.308 -22.990 -1.938 1.00 71.22 C ATOM 500 O VAL A 31 -3.697 -23.927 -2.605 1.00 25.14 O ATOM 501 CB VAL A 31 -5.179 -21.647 -0.943 1.00 11.15 C ATOM 502 CG1 VAL A 31 -5.365 -20.237 -0.382 1.00 13.13 C ATOM 503 CG2 VAL A 31 -6.482 -22.111 -1.604 1.00 4.24 C ATOM 0 H VAL A 31 -4.932 -22.257 -3.799 1.00 71.23 H new ATOM 0 HA VAL A 31 -3.297 -20.869 -1.730 1.00 53.21 H new ATOM 0 HB VAL A 31 -4.932 -22.338 -0.137 1.00 11.15 H new ATOM 0 HG11 VAL A 31 -6.181 -20.238 0.341 1.00 13.13 H new ATOM 0 HG12 VAL A 31 -4.446 -19.916 0.108 1.00 13.13 H new ATOM 0 HG13 VAL A 31 -5.601 -19.550 -1.195 1.00 13.13 H new ATOM 0 HG21 VAL A 31 -7.285 -22.108 -0.867 1.00 4.24 H new ATOM 0 HG22 VAL A 31 -6.736 -21.435 -2.421 1.00 4.24 H new ATOM 0 HG23 VAL A 31 -6.352 -23.120 -1.995 1.00 4.24 H new ATOM 513 N GLU A 32 -2.264 -23.097 -1.167 1.00 45.34 N ATOM 514 CA GLU A 32 -1.529 -24.392 -1.095 1.00 33.34 C ATOM 515 C GLU A 32 -2.445 -25.464 -0.504 1.00 12.21 C ATOM 516 O GLU A 32 -2.157 -26.644 -0.556 1.00 75.14 O ATOM 517 CB GLU A 32 -0.336 -24.131 -0.173 1.00 35.22 C ATOM 518 CG GLU A 32 -0.829 -23.531 1.145 1.00 70.31 C ATOM 519 CD GLU A 32 0.199 -23.804 2.246 1.00 4.13 C ATOM 520 OE1 GLU A 32 0.168 -24.890 2.800 1.00 63.23 O ATOM 521 OE2 GLU A 32 0.998 -22.922 2.515 1.00 20.13 O ATOM 0 H GLU A 32 -1.888 -22.348 -0.585 1.00 45.34 H new ATOM 0 HA GLU A 32 -1.204 -24.744 -2.074 1.00 33.34 H new ATOM 0 HB2 GLU A 32 0.200 -25.061 0.017 1.00 35.22 H new ATOM 0 HB3 GLU A 32 0.366 -23.450 -0.654 1.00 35.22 H new ATOM 0 HG2 GLU A 32 -0.982 -22.458 1.034 1.00 70.31 H new ATOM 0 HG3 GLU A 32 -1.792 -23.964 1.416 1.00 70.31 H new ATOM 528 N LYS A 33 -3.555 -25.057 0.050 1.00 53.03 N ATOM 529 CA LYS A 33 -4.502 -26.040 0.642 1.00 41.32 C ATOM 530 C LYS A 33 -5.885 -25.397 0.795 1.00 4.51 C ATOM 531 O LYS A 33 -6.031 -24.193 0.731 1.00 52.00 O ATOM 532 CB LYS A 33 -3.902 -26.408 2.004 1.00 23.44 C ATOM 533 CG LYS A 33 -4.252 -25.335 3.039 1.00 72.44 C ATOM 534 CD LYS A 33 -3.087 -25.164 4.017 1.00 63.22 C ATOM 535 CE LYS A 33 -2.713 -23.683 4.111 1.00 74.05 C ATOM 536 NZ LYS A 33 -1.735 -23.601 5.233 1.00 24.44 N ATOM 0 H LYS A 33 -3.846 -24.082 0.117 1.00 53.03 H new ATOM 0 HA LYS A 33 -4.634 -26.925 0.020 1.00 41.32 H new ATOM 0 HB2 LYS A 33 -4.283 -27.376 2.329 1.00 23.44 H new ATOM 0 HB3 LYS A 33 -2.820 -26.504 1.920 1.00 23.44 H new ATOM 0 HG2 LYS A 33 -4.463 -24.389 2.540 1.00 72.44 H new ATOM 0 HG3 LYS A 33 -5.155 -25.618 3.580 1.00 72.44 H new ATOM 0 HD2 LYS A 33 -3.365 -25.543 5.000 1.00 63.22 H new ATOM 0 HD3 LYS A 33 -2.229 -25.746 3.682 1.00 63.22 H new ATOM 0 HE2 LYS A 33 -2.274 -23.327 3.179 1.00 74.05 H new ATOM 0 HE3 LYS A 33 -3.590 -23.066 4.307 1.00 74.05 H new ATOM 0 HZ1 LYS A 33 -1.432 -22.614 5.358 1.00 24.44 H new ATOM 0 HZ2 LYS A 33 -2.182 -23.940 6.109 1.00 24.44 H new ATOM 0 HZ3 LYS A 33 -0.907 -24.192 5.016 1.00 24.44 H new ATOM 550 N LYS A 34 -6.900 -26.191 0.992 1.00 62.24 N ATOM 551 CA LYS A 34 -8.271 -25.624 1.142 1.00 22.25 C ATOM 552 C LYS A 34 -8.571 -25.323 2.614 1.00 15.00 C ATOM 553 O LYS A 34 -9.486 -25.873 3.192 1.00 50.34 O ATOM 554 CB LYS A 34 -9.206 -26.713 0.612 1.00 52.21 C ATOM 555 CG LYS A 34 -9.106 -27.953 1.501 1.00 32.42 C ATOM 556 CD LYS A 34 -9.139 -29.209 0.628 1.00 43.25 C ATOM 557 CE LYS A 34 -7.709 -29.642 0.299 1.00 13.24 C ATOM 558 NZ LYS A 34 -7.183 -30.221 1.566 1.00 35.01 N ATOM 0 H LYS A 34 -6.841 -27.207 1.056 1.00 62.24 H new ATOM 0 HA LYS A 34 -8.389 -24.684 0.603 1.00 22.25 H new ATOM 0 HB2 LYS A 34 -10.233 -26.348 0.594 1.00 52.21 H new ATOM 0 HB3 LYS A 34 -8.940 -26.967 -0.414 1.00 52.21 H new ATOM 0 HG2 LYS A 34 -8.184 -27.924 2.081 1.00 32.42 H new ATOM 0 HG3 LYS A 34 -9.931 -27.970 2.214 1.00 32.42 H new ATOM 0 HD2 LYS A 34 -9.663 -30.012 1.147 1.00 43.25 H new ATOM 0 HD3 LYS A 34 -9.691 -29.011 -0.291 1.00 43.25 H new ATOM 0 HE2 LYS A 34 -7.694 -30.376 -0.507 1.00 13.24 H new ATOM 0 HE3 LYS A 34 -7.106 -28.796 -0.029 1.00 13.24 H new ATOM 0 HZ1 LYS A 34 -6.300 -29.738 1.828 1.00 35.01 H new ATOM 0 HZ2 LYS A 34 -7.885 -30.094 2.323 1.00 35.01 H new ATOM 0 HZ3 LYS A 34 -6.997 -31.236 1.433 1.00 35.01 H new ATOM 572 N ASP A 35 -7.812 -24.454 3.225 1.00 34.34 N ATOM 573 CA ASP A 35 -8.068 -24.131 4.660 1.00 71.22 C ATOM 574 C ASP A 35 -8.888 -22.844 4.786 1.00 5.22 C ATOM 575 O ASP A 35 -10.052 -22.872 5.134 1.00 15.40 O ATOM 576 CB ASP A 35 -6.682 -23.940 5.281 1.00 24.43 C ATOM 577 CG ASP A 35 -6.641 -24.607 6.657 1.00 53.42 C ATOM 578 OD1 ASP A 35 -7.074 -25.743 6.756 1.00 65.22 O ATOM 579 OD2 ASP A 35 -6.177 -23.971 7.589 1.00 72.14 O ATOM 0 H ASP A 35 -7.031 -23.956 2.797 1.00 34.34 H new ATOM 0 HA ASP A 35 -8.636 -24.917 5.157 1.00 71.22 H new ATOM 0 HB2 ASP A 35 -5.919 -24.372 4.633 1.00 24.43 H new ATOM 0 HB3 ASP A 35 -6.457 -22.878 5.374 1.00 24.43 H new ATOM 584 N ASP A 36 -8.291 -21.717 4.514 1.00 12.12 N ATOM 585 CA ASP A 36 -9.038 -20.434 4.626 1.00 23.11 C ATOM 586 C ASP A 36 -8.257 -19.295 3.969 1.00 20.21 C ATOM 587 O ASP A 36 -7.114 -19.447 3.587 1.00 61.32 O ATOM 588 CB ASP A 36 -9.173 -20.183 6.127 1.00 33.43 C ATOM 589 CG ASP A 36 -10.467 -20.818 6.636 1.00 24.34 C ATOM 590 OD1 ASP A 36 -11.523 -20.283 6.340 1.00 12.14 O ATOM 591 OD2 ASP A 36 -10.380 -21.829 7.314 1.00 23.33 O ATOM 0 H ASP A 36 -7.318 -21.629 4.219 1.00 12.12 H new ATOM 0 HA ASP A 36 -10.005 -20.484 4.126 1.00 23.11 H new ATOM 0 HB2 ASP A 36 -8.317 -20.603 6.655 1.00 33.43 H new ATOM 0 HB3 ASP A 36 -9.177 -19.112 6.328 1.00 33.43 H new ATOM 596 N PHE A 37 -8.866 -18.149 3.853 1.00 24.03 N ATOM 597 CA PHE A 37 -8.166 -16.984 3.243 1.00 74.33 C ATOM 598 C PHE A 37 -8.153 -15.822 4.239 1.00 12.50 C ATOM 599 O PHE A 37 -9.133 -15.122 4.405 1.00 40.33 O ATOM 600 CB PHE A 37 -9.004 -16.620 2.019 1.00 34.30 C ATOM 601 CG PHE A 37 -8.617 -17.499 0.857 1.00 23.41 C ATOM 602 CD1 PHE A 37 -9.235 -18.746 0.688 1.00 2.05 C ATOM 603 CD2 PHE A 37 -7.646 -17.072 -0.056 1.00 50.11 C ATOM 604 CE1 PHE A 37 -8.880 -19.563 -0.393 1.00 14.52 C ATOM 605 CE2 PHE A 37 -7.290 -17.890 -1.136 1.00 75.13 C ATOM 606 CZ PHE A 37 -7.908 -19.133 -1.305 1.00 51.33 C ATOM 0 H PHE A 37 -9.823 -17.968 4.156 1.00 24.03 H new ATOM 0 HA PHE A 37 -7.132 -17.205 2.978 1.00 74.33 H new ATOM 0 HB2 PHE A 37 -10.064 -16.742 2.243 1.00 34.30 H new ATOM 0 HB3 PHE A 37 -8.852 -15.572 1.761 1.00 34.30 H new ATOM 0 HD1 PHE A 37 -9.985 -19.077 1.391 1.00 2.05 H new ATOM 0 HD2 PHE A 37 -7.171 -16.111 0.072 1.00 50.11 H new ATOM 0 HE1 PHE A 37 -9.356 -20.524 -0.523 1.00 14.52 H new ATOM 0 HE2 PHE A 37 -6.538 -17.561 -1.838 1.00 75.13 H new ATOM 0 HZ PHE A 37 -7.635 -19.762 -2.140 1.00 51.33 H new ATOM 616 N SER A 38 -7.054 -15.617 4.911 1.00 72.43 N ATOM 617 CA SER A 38 -6.983 -14.508 5.904 1.00 65.22 C ATOM 618 C SER A 38 -6.031 -13.408 5.424 1.00 42.55 C ATOM 619 O SER A 38 -5.919 -12.365 6.038 1.00 10.02 O ATOM 620 CB SER A 38 -6.447 -15.154 7.180 1.00 2.41 C ATOM 621 OG SER A 38 -5.193 -15.765 6.905 1.00 3.54 O ATOM 0 H SER A 38 -6.202 -16.169 4.816 1.00 72.43 H new ATOM 0 HA SER A 38 -7.954 -14.036 6.055 1.00 65.22 H new ATOM 0 HB2 SER A 38 -6.335 -14.403 7.962 1.00 2.41 H new ATOM 0 HB3 SER A 38 -7.154 -15.897 7.550 1.00 2.41 H new ATOM 0 HG SER A 38 -4.845 -16.179 7.722 1.00 3.54 H new ATOM 627 N ARG A 39 -5.339 -13.628 4.340 1.00 30.54 N ATOM 628 CA ARG A 39 -4.392 -12.588 3.846 1.00 24.11 C ATOM 629 C ARG A 39 -5.033 -11.767 2.727 1.00 75.23 C ATOM 630 O ARG A 39 -4.572 -10.693 2.396 1.00 1.14 O ATOM 631 CB ARG A 39 -3.183 -13.358 3.315 1.00 30.41 C ATOM 632 CG ARG A 39 -1.974 -12.422 3.268 1.00 32.01 C ATOM 633 CD ARG A 39 -1.062 -12.705 4.465 1.00 44.40 C ATOM 634 NE ARG A 39 0.252 -12.106 4.098 1.00 34.23 N ATOM 635 CZ ARG A 39 0.845 -11.285 4.918 1.00 54.23 C ATOM 636 NH1 ARG A 39 1.203 -11.695 6.105 1.00 33.34 N ATOM 637 NH2 ARG A 39 1.085 -10.055 4.556 1.00 12.42 N ATOM 0 H ARG A 39 -5.387 -14.478 3.778 1.00 30.54 H new ATOM 0 HA ARG A 39 -4.114 -11.888 4.634 1.00 24.11 H new ATOM 0 HB2 ARG A 39 -2.971 -14.214 3.956 1.00 30.41 H new ATOM 0 HB3 ARG A 39 -3.394 -13.750 2.320 1.00 30.41 H new ATOM 0 HG2 ARG A 39 -1.425 -12.566 2.337 1.00 32.01 H new ATOM 0 HG3 ARG A 39 -2.304 -11.383 3.286 1.00 32.01 H new ATOM 0 HD2 ARG A 39 -1.458 -12.259 5.377 1.00 44.40 H new ATOM 0 HD3 ARG A 39 -0.971 -13.776 4.647 1.00 44.40 H new ATOM 0 HE ARG A 39 0.687 -12.338 3.205 1.00 34.23 H new ATOM 0 HH11 ARG A 39 1.018 -12.657 6.389 1.00 33.34 H new ATOM 0 HH12 ARG A 39 1.667 -11.053 6.748 1.00 33.34 H new ATOM 0 HH21 ARG A 39 0.808 -9.733 3.629 1.00 12.42 H new ATOM 0 HH22 ARG A 39 1.549 -9.415 5.200 1.00 12.42 H new ATOM 651 N VAL A 40 -6.092 -12.253 2.144 1.00 22.42 N ATOM 652 CA VAL A 40 -6.747 -11.483 1.052 1.00 21.41 C ATOM 653 C VAL A 40 -7.310 -10.175 1.611 1.00 44.15 C ATOM 654 O VAL A 40 -7.945 -10.163 2.648 1.00 54.10 O ATOM 655 CB VAL A 40 -7.872 -12.384 0.544 1.00 14.20 C ATOM 656 CG1 VAL A 40 -8.874 -12.638 1.671 1.00 51.14 C ATOM 657 CG2 VAL A 40 -8.581 -11.700 -0.627 1.00 53.12 C ATOM 0 H VAL A 40 -6.530 -13.145 2.375 1.00 22.42 H new ATOM 0 HA VAL A 40 -6.055 -11.220 0.252 1.00 21.41 H new ATOM 0 HB VAL A 40 -7.454 -13.334 0.212 1.00 14.20 H new ATOM 0 HG11 VAL A 40 -9.676 -13.281 1.307 1.00 51.14 H new ATOM 0 HG12 VAL A 40 -8.368 -13.125 2.505 1.00 51.14 H new ATOM 0 HG13 VAL A 40 -9.293 -11.689 2.006 1.00 51.14 H new ATOM 0 HG21 VAL A 40 -9.384 -12.341 -0.991 1.00 53.12 H new ATOM 0 HG22 VAL A 40 -8.998 -10.749 -0.295 1.00 53.12 H new ATOM 0 HG23 VAL A 40 -7.867 -11.522 -1.431 1.00 53.12 H new ATOM 667 N PRO A 41 -7.046 -9.113 0.904 1.00 70.03 N ATOM 668 CA PRO A 41 -7.518 -7.772 1.330 1.00 32.12 C ATOM 669 C PRO A 41 -9.041 -7.676 1.219 1.00 62.44 C ATOM 670 O PRO A 41 -9.637 -8.134 0.264 1.00 65.13 O ATOM 671 CB PRO A 41 -6.837 -6.826 0.342 1.00 23.22 C ATOM 672 CG PRO A 41 -6.564 -7.667 -0.861 1.00 22.34 C ATOM 673 CD PRO A 41 -6.296 -9.058 -0.354 1.00 70.13 C ATOM 0 HA PRO A 41 -7.279 -7.543 2.369 1.00 32.12 H new ATOM 0 HB2 PRO A 41 -7.479 -5.980 0.096 1.00 23.22 H new ATOM 0 HB3 PRO A 41 -5.916 -6.417 0.756 1.00 23.22 H new ATOM 0 HG2 PRO A 41 -7.415 -7.659 -1.542 1.00 22.34 H new ATOM 0 HG3 PRO A 41 -5.708 -7.284 -1.416 1.00 22.34 H new ATOM 0 HD2 PRO A 41 -6.639 -9.815 -1.059 1.00 70.13 H new ATOM 0 HD3 PRO A 41 -5.231 -9.229 -0.195 1.00 70.13 H new ATOM 681 N GLU A 42 -9.674 -7.076 2.191 1.00 35.11 N ATOM 682 CA GLU A 42 -11.158 -6.944 2.141 1.00 12.31 C ATOM 683 C GLU A 42 -11.566 -6.086 0.941 1.00 54.21 C ATOM 684 O GLU A 42 -12.723 -6.016 0.579 1.00 51.15 O ATOM 685 CB GLU A 42 -11.537 -6.256 3.453 1.00 4.22 C ATOM 686 CG GLU A 42 -13.027 -5.908 3.437 1.00 42.53 C ATOM 687 CD GLU A 42 -13.696 -6.466 4.695 1.00 0.31 C ATOM 688 OE1 GLU A 42 -12.999 -6.655 5.678 1.00 74.24 O ATOM 689 OE2 GLU A 42 -14.894 -6.694 4.654 1.00 71.35 O ATOM 0 H GLU A 42 -9.229 -6.673 3.015 1.00 35.11 H new ATOM 0 HA GLU A 42 -11.660 -7.905 2.029 1.00 12.31 H new ATOM 0 HB2 GLU A 42 -11.315 -6.910 4.296 1.00 4.22 H new ATOM 0 HB3 GLU A 42 -10.943 -5.352 3.586 1.00 4.22 H new ATOM 0 HG2 GLU A 42 -13.158 -4.827 3.392 1.00 42.53 H new ATOM 0 HG3 GLU A 42 -13.499 -6.324 2.547 1.00 42.53 H new ATOM 696 N GLU A 43 -10.620 -5.437 0.314 1.00 64.12 N ATOM 697 CA GLU A 43 -10.954 -4.591 -0.869 1.00 51.44 C ATOM 698 C GLU A 43 -11.329 -5.487 -2.049 1.00 31.31 C ATOM 699 O GLU A 43 -12.230 -5.189 -2.807 1.00 33.11 O ATOM 700 CB GLU A 43 -9.677 -3.804 -1.170 1.00 21.43 C ATOM 701 CG GLU A 43 -9.219 -3.068 0.089 1.00 45.32 C ATOM 702 CD GLU A 43 -10.302 -2.079 0.526 1.00 44.32 C ATOM 703 OE1 GLU A 43 -11.174 -1.793 -0.276 1.00 4.04 O ATOM 704 OE2 GLU A 43 -10.242 -1.626 1.658 1.00 33.23 O ATOM 0 H GLU A 43 -9.633 -5.456 0.569 1.00 64.12 H new ATOM 0 HA GLU A 43 -11.799 -3.927 -0.686 1.00 51.44 H new ATOM 0 HB2 GLU A 43 -8.894 -4.480 -1.513 1.00 21.43 H new ATOM 0 HB3 GLU A 43 -9.858 -3.091 -1.974 1.00 21.43 H new ATOM 0 HG2 GLU A 43 -9.020 -3.782 0.888 1.00 45.32 H new ATOM 0 HG3 GLU A 43 -8.286 -2.539 -0.105 1.00 45.32 H new ATOM 711 N LEU A 44 -10.650 -6.590 -2.202 1.00 54.24 N ATOM 712 CA LEU A 44 -10.971 -7.516 -3.322 1.00 12.51 C ATOM 713 C LEU A 44 -11.963 -8.579 -2.838 1.00 52.51 C ATOM 714 O LEU A 44 -12.986 -8.809 -3.448 1.00 21.22 O ATOM 715 CB LEU A 44 -9.639 -8.163 -3.708 1.00 73.12 C ATOM 716 CG LEU A 44 -9.414 -8.006 -5.213 1.00 70.34 C ATOM 717 CD1 LEU A 44 -7.973 -8.385 -5.558 1.00 71.51 C ATOM 718 CD2 LEU A 44 -10.378 -8.926 -5.967 1.00 23.24 C ATOM 0 H LEU A 44 -9.885 -6.890 -1.598 1.00 54.24 H new ATOM 0 HA LEU A 44 -11.426 -7.003 -4.169 1.00 12.51 H new ATOM 0 HB2 LEU A 44 -8.823 -7.697 -3.157 1.00 73.12 H new ATOM 0 HB3 LEU A 44 -9.644 -9.219 -3.438 1.00 73.12 H new ATOM 0 HG LEU A 44 -9.594 -6.971 -5.502 1.00 70.34 H new ATOM 0 HD11 LEU A 44 -7.814 -8.273 -6.630 1.00 71.51 H new ATOM 0 HD12 LEU A 44 -7.286 -7.732 -5.019 1.00 71.51 H new ATOM 0 HD13 LEU A 44 -7.790 -9.420 -5.271 1.00 71.51 H new ATOM 0 HD21 LEU A 44 -10.221 -8.817 -7.040 1.00 23.24 H new ATOM 0 HD22 LEU A 44 -10.195 -9.961 -5.677 1.00 23.24 H new ATOM 0 HD23 LEU A 44 -11.405 -8.656 -5.722 1.00 23.24 H new ATOM 730 N MET A 45 -11.664 -9.217 -1.740 1.00 65.34 N ATOM 731 CA MET A 45 -12.593 -10.256 -1.211 1.00 3.31 C ATOM 732 C MET A 45 -14.016 -9.697 -1.139 1.00 3.31 C ATOM 733 O MET A 45 -14.984 -10.426 -1.227 1.00 61.53 O ATOM 734 CB MET A 45 -12.072 -10.580 0.189 1.00 15.32 C ATOM 735 CG MET A 45 -13.048 -11.527 0.892 1.00 25.34 C ATOM 736 SD MET A 45 -12.138 -12.605 2.025 1.00 1.10 S ATOM 737 CE MET A 45 -11.523 -13.774 0.787 1.00 34.05 C ATOM 0 H MET A 45 -10.820 -9.065 -1.188 1.00 65.34 H new ATOM 0 HA MET A 45 -12.629 -11.142 -1.845 1.00 3.31 H new ATOM 0 HB2 MET A 45 -11.086 -11.040 0.124 1.00 15.32 H new ATOM 0 HB3 MET A 45 -11.958 -9.663 0.767 1.00 15.32 H new ATOM 0 HG2 MET A 45 -13.795 -10.954 1.441 1.00 25.34 H new ATOM 0 HG3 MET A 45 -13.584 -12.126 0.155 1.00 25.34 H new ATOM 0 HE1 MET A 45 -10.734 -14.386 1.224 1.00 34.05 H new ATOM 0 HE2 MET A 45 -12.339 -14.417 0.456 1.00 34.05 H new ATOM 0 HE3 MET A 45 -11.125 -13.225 -0.066 1.00 34.05 H new ATOM 747 N LYS A 46 -14.151 -8.406 -0.984 1.00 61.01 N ATOM 748 CA LYS A 46 -15.516 -7.808 -0.914 1.00 70.24 C ATOM 749 C LYS A 46 -16.403 -8.412 -2.002 1.00 34.12 C ATOM 750 O LYS A 46 -17.558 -8.713 -1.780 1.00 23.44 O ATOM 751 CB LYS A 46 -15.312 -6.313 -1.156 1.00 71.35 C ATOM 752 CG LYS A 46 -16.577 -5.550 -0.753 1.00 33.54 C ATOM 753 CD LYS A 46 -16.219 -4.098 -0.437 1.00 3.24 C ATOM 754 CE LYS A 46 -17.114 -3.588 0.694 1.00 61.52 C ATOM 755 NZ LYS A 46 -18.500 -3.674 0.157 1.00 61.30 N ATOM 0 H LYS A 46 -13.380 -7.743 -0.903 1.00 61.01 H new ATOM 0 HA LYS A 46 -16.004 -7.998 0.042 1.00 70.24 H new ATOM 0 HB2 LYS A 46 -14.459 -5.954 -0.579 1.00 71.35 H new ATOM 0 HB3 LYS A 46 -15.085 -6.132 -2.207 1.00 71.35 H new ATOM 0 HG2 LYS A 46 -17.309 -5.588 -1.559 1.00 33.54 H new ATOM 0 HG3 LYS A 46 -17.036 -6.020 0.117 1.00 33.54 H new ATOM 0 HD2 LYS A 46 -15.171 -4.025 -0.147 1.00 3.24 H new ATOM 0 HD3 LYS A 46 -16.348 -3.479 -1.325 1.00 3.24 H new ATOM 0 HE2 LYS A 46 -17.000 -4.195 1.592 1.00 61.52 H new ATOM 0 HE3 LYS A 46 -16.860 -2.564 0.968 1.00 61.52 H new ATOM 0 HZ1 LYS A 46 -19.121 -3.037 0.695 1.00 61.30 H new ATOM 0 HZ2 LYS A 46 -18.502 -3.395 -0.845 1.00 61.30 H new ATOM 0 HZ3 LYS A 46 -18.846 -4.651 0.245 1.00 61.30 H new ATOM 769 N GLY A 47 -15.866 -8.600 -3.175 1.00 13.21 N ATOM 770 CA GLY A 47 -16.675 -9.195 -4.273 1.00 23.34 C ATOM 771 C GLY A 47 -16.712 -10.711 -4.099 1.00 52.34 C ATOM 772 O GLY A 47 -17.749 -11.337 -4.208 1.00 62.41 O ATOM 0 H GLY A 47 -14.904 -8.368 -3.420 1.00 13.21 H new ATOM 0 HA2 GLY A 47 -17.687 -8.790 -4.257 1.00 23.34 H new ATOM 0 HA3 GLY A 47 -16.244 -8.938 -5.240 1.00 23.34 H new ATOM 776 N PHE A 48 -15.586 -11.311 -3.822 1.00 73.40 N ATOM 777 CA PHE A 48 -15.554 -12.789 -3.632 1.00 20.20 C ATOM 778 C PHE A 48 -16.463 -13.190 -2.468 1.00 44.12 C ATOM 779 O PHE A 48 -17.203 -14.150 -2.549 1.00 41.14 O ATOM 780 CB PHE A 48 -14.095 -13.117 -3.309 1.00 45.02 C ATOM 781 CG PHE A 48 -13.695 -14.381 -4.027 1.00 22.03 C ATOM 782 CD1 PHE A 48 -14.592 -15.452 -4.105 1.00 31.43 C ATOM 783 CD2 PHE A 48 -12.431 -14.481 -4.621 1.00 63.04 C ATOM 784 CE1 PHE A 48 -14.224 -16.625 -4.776 1.00 61.43 C ATOM 785 CE2 PHE A 48 -12.064 -15.653 -5.291 1.00 63.10 C ATOM 786 CZ PHE A 48 -12.961 -16.725 -5.368 1.00 23.30 C ATOM 0 H PHE A 48 -14.687 -10.841 -3.719 1.00 73.40 H new ATOM 0 HA PHE A 48 -15.907 -13.326 -4.512 1.00 20.20 H new ATOM 0 HB2 PHE A 48 -13.450 -12.293 -3.613 1.00 45.02 H new ATOM 0 HB3 PHE A 48 -13.968 -13.241 -2.234 1.00 45.02 H new ATOM 0 HD1 PHE A 48 -15.567 -15.374 -3.648 1.00 31.43 H new ATOM 0 HD2 PHE A 48 -11.739 -13.654 -4.562 1.00 63.04 H new ATOM 0 HE1 PHE A 48 -14.916 -17.452 -4.836 1.00 61.43 H new ATOM 0 HE2 PHE A 48 -11.089 -15.731 -5.749 1.00 63.10 H new ATOM 0 HZ PHE A 48 -12.677 -17.630 -5.885 1.00 23.30 H new ATOM 796 N GLY A 49 -16.413 -12.463 -1.385 1.00 13.15 N ATOM 797 CA GLY A 49 -17.273 -12.805 -0.218 1.00 21.04 C ATOM 798 C GLY A 49 -16.981 -14.237 0.226 1.00 13.10 C ATOM 799 O GLY A 49 -16.100 -14.482 1.026 1.00 20.22 O ATOM 0 H GLY A 49 -15.814 -11.647 -1.259 1.00 13.15 H new ATOM 0 HA2 GLY A 49 -17.084 -12.113 0.602 1.00 21.04 H new ATOM 0 HA3 GLY A 49 -18.325 -12.703 -0.485 1.00 21.04 H new ATOM 803 N GLN A 50 -17.709 -15.189 -0.290 1.00 43.02 N ATOM 804 CA GLN A 50 -17.466 -16.604 0.103 1.00 2.44 C ATOM 805 C GLN A 50 -16.975 -17.405 -1.106 1.00 65.10 C ATOM 806 O GLN A 50 -17.719 -17.639 -2.038 1.00 44.33 O ATOM 807 CB GLN A 50 -18.823 -17.122 0.582 1.00 13.13 C ATOM 808 CG GLN A 50 -18.779 -17.337 2.095 1.00 42.21 C ATOM 809 CD GLN A 50 -18.877 -15.986 2.806 1.00 61.43 C ATOM 810 OE1 GLN A 50 -17.822 -15.220 2.873 1.00 33.34 O flip ATOM 811 NE2 GLN A 50 -19.924 -15.625 3.308 1.00 0.42 N flip ATOM 0 H GLN A 50 -18.460 -15.048 -0.966 1.00 43.02 H new ATOM 0 HA GLN A 50 -16.704 -16.697 0.876 1.00 2.44 H new ATOM 0 HB2 GLN A 50 -19.607 -16.409 0.328 1.00 13.13 H new ATOM 0 HB3 GLN A 50 -19.066 -18.057 0.078 1.00 13.13 H new ATOM 0 HG2 GLN A 50 -19.600 -17.983 2.405 1.00 42.21 H new ATOM 0 HG3 GLN A 50 -17.854 -17.841 2.375 1.00 42.21 H new ATOM 0 HE21 GLN A 50 -20.748 -16.224 3.255 1.00 0.42 H new ATOM 0 HE22 GLN A 50 -19.978 -14.723 3.782 1.00 0.42 H new ATOM 820 N PRO A 51 -15.732 -17.798 -1.047 1.00 5.03 N ATOM 821 CA PRO A 51 -15.129 -18.579 -2.155 1.00 42.20 C ATOM 822 C PRO A 51 -15.712 -19.993 -2.183 1.00 34.00 C ATOM 823 O PRO A 51 -16.253 -20.472 -1.206 1.00 4.32 O ATOM 824 CB PRO A 51 -13.643 -18.601 -1.811 1.00 13.32 C ATOM 825 CG PRO A 51 -13.587 -18.403 -0.330 1.00 72.50 C ATOM 826 CD PRO A 51 -14.779 -17.559 0.042 1.00 51.00 C ATOM 0 HA PRO A 51 -15.322 -18.153 -3.140 1.00 42.20 H new ATOM 0 HB2 PRO A 51 -13.185 -19.547 -2.101 1.00 13.32 H new ATOM 0 HB3 PRO A 51 -13.104 -17.812 -2.336 1.00 13.32 H new ATOM 0 HG2 PRO A 51 -13.614 -19.361 0.189 1.00 72.50 H new ATOM 0 HG3 PRO A 51 -12.659 -17.910 -0.041 1.00 72.50 H new ATOM 0 HD2 PRO A 51 -15.192 -17.854 1.007 1.00 51.00 H new ATOM 0 HD3 PRO A 51 -14.514 -16.504 0.117 1.00 51.00 H new ATOM 834 N GLN A 52 -15.606 -20.663 -3.295 1.00 15.24 N ATOM 835 CA GLN A 52 -16.157 -22.043 -3.385 1.00 31.31 C ATOM 836 C GLN A 52 -15.118 -22.987 -3.997 1.00 43.32 C ATOM 837 O GLN A 52 -14.124 -22.557 -4.547 1.00 62.44 O ATOM 838 CB GLN A 52 -17.378 -21.922 -4.297 1.00 2.42 C ATOM 839 CG GLN A 52 -18.317 -20.841 -3.755 1.00 10.11 C ATOM 840 CD GLN A 52 -18.587 -21.096 -2.272 1.00 32.44 C ATOM 841 OE1 GLN A 52 -18.598 -22.225 -1.828 1.00 15.11 O ATOM 842 NE2 GLN A 52 -18.803 -20.081 -1.480 1.00 51.14 N ATOM 0 H GLN A 52 -15.162 -20.315 -4.145 1.00 15.24 H new ATOM 0 HA GLN A 52 -16.418 -22.450 -2.408 1.00 31.31 H new ATOM 0 HB2 GLN A 52 -17.064 -21.671 -5.310 1.00 2.42 H new ATOM 0 HB3 GLN A 52 -17.900 -22.877 -4.352 1.00 2.42 H new ATOM 0 HG2 GLN A 52 -17.871 -19.856 -3.890 1.00 10.11 H new ATOM 0 HG3 GLN A 52 -19.254 -20.846 -4.312 1.00 10.11 H new ATOM 0 HE21 GLN A 52 -18.794 -19.132 -1.853 1.00 51.14 H new ATOM 0 HE22 GLN A 52 -18.981 -20.237 -0.488 1.00 51.14 H new ATOM 851 N LEU A 53 -15.342 -24.266 -3.906 1.00 44.22 N ATOM 852 CA LEU A 53 -14.368 -25.236 -4.482 1.00 72.34 C ATOM 853 C LEU A 53 -14.787 -25.618 -5.902 1.00 42.00 C ATOM 854 O LEU A 53 -15.690 -26.407 -6.103 1.00 32.25 O ATOM 855 CB LEU A 53 -14.427 -26.451 -3.555 1.00 1.00 C ATOM 856 CG LEU A 53 -13.103 -27.212 -3.617 1.00 61.10 C ATOM 857 CD1 LEU A 53 -12.919 -27.803 -5.015 1.00 44.43 C ATOM 858 CD2 LEU A 53 -11.949 -26.250 -3.315 1.00 13.11 C ATOM 0 H LEU A 53 -16.157 -24.684 -3.458 1.00 44.22 H new ATOM 0 HA LEU A 53 -13.360 -24.826 -4.549 1.00 72.34 H new ATOM 0 HB2 LEU A 53 -14.626 -26.131 -2.532 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -15.248 -27.105 -3.849 1.00 1.00 H new ATOM 0 HG LEU A 53 -13.111 -28.016 -2.881 1.00 61.10 H new ATOM 0 HD11 LEU A 53 -11.975 -28.346 -5.059 1.00 44.43 H new ATOM 0 HD12 LEU A 53 -13.740 -28.486 -5.232 1.00 44.43 H new ATOM 0 HD13 LEU A 53 -12.910 -26.999 -5.751 1.00 44.43 H new ATOM 0 HD21 LEU A 53 -11.004 -26.791 -3.359 1.00 13.11 H new ATOM 0 HD22 LEU A 53 -11.942 -25.447 -4.052 1.00 13.11 H new ATOM 0 HD23 LEU A 53 -12.079 -25.827 -2.319 1.00 13.11 H new ATOM 870 N ALA A 54 -14.140 -25.063 -6.891 1.00 22.02 N ATOM 871 CA ALA A 54 -14.506 -25.393 -8.299 1.00 63.20 C ATOM 872 C ALA A 54 -13.545 -26.441 -8.868 1.00 34.42 C ATOM 873 O ALA A 54 -13.956 -27.396 -9.496 1.00 43.30 O ATOM 874 CB ALA A 54 -14.373 -24.075 -9.060 1.00 63.53 C ATOM 0 H ALA A 54 -13.375 -24.396 -6.786 1.00 22.02 H new ATOM 0 HA ALA A 54 -15.510 -25.811 -8.377 1.00 63.20 H new ATOM 0 HB1 ALA A 54 -14.626 -24.233 -10.108 1.00 63.53 H new ATOM 0 HB2 ALA A 54 -15.050 -23.337 -8.630 1.00 63.53 H new ATOM 0 HB3 ALA A 54 -13.347 -23.713 -8.985 1.00 63.53 H new ATOM 880 N MET A 55 -12.269 -26.267 -8.661 1.00 72.32 N ATOM 881 CA MET A 55 -11.290 -27.255 -9.199 1.00 71.21 C ATOM 882 C MET A 55 -10.101 -27.402 -8.244 1.00 23.15 C ATOM 883 O MET A 55 -9.570 -26.430 -7.745 1.00 25.35 O ATOM 884 CB MET A 55 -10.832 -26.672 -10.535 1.00 10.23 C ATOM 885 CG MET A 55 -11.124 -27.672 -11.655 1.00 55.22 C ATOM 886 SD MET A 55 -9.906 -27.469 -12.978 1.00 20.34 S ATOM 887 CE MET A 55 -10.640 -28.643 -14.145 1.00 11.24 C ATOM 0 H MET A 55 -11.862 -25.487 -8.145 1.00 72.32 H new ATOM 0 HA MET A 55 -11.728 -28.246 -9.314 1.00 71.21 H new ATOM 0 HB2 MET A 55 -11.347 -25.731 -10.729 1.00 10.23 H new ATOM 0 HB3 MET A 55 -9.765 -26.450 -10.500 1.00 10.23 H new ATOM 0 HG2 MET A 55 -11.089 -28.690 -11.267 1.00 55.22 H new ATOM 0 HG3 MET A 55 -12.130 -27.514 -12.045 1.00 55.22 H new ATOM 0 HE1 MET A 55 -10.038 -28.678 -15.053 1.00 11.24 H new ATOM 0 HE2 MET A 55 -10.672 -29.634 -13.692 1.00 11.24 H new ATOM 0 HE3 MET A 55 -11.652 -28.324 -14.393 1.00 11.24 H new ATOM 897 N ILE A 56 -9.679 -28.612 -7.993 1.00 32.33 N ATOM 898 CA ILE A 56 -8.517 -28.821 -7.079 1.00 64.11 C ATOM 899 C ILE A 56 -7.286 -29.237 -7.886 1.00 50.51 C ATOM 900 O ILE A 56 -7.350 -30.104 -8.733 1.00 44.14 O ATOM 901 CB ILE A 56 -8.942 -29.949 -6.141 1.00 14.43 C ATOM 902 CG1 ILE A 56 -10.057 -29.457 -5.215 1.00 44.33 C ATOM 903 CG2 ILE A 56 -7.740 -30.387 -5.300 1.00 42.32 C ATOM 904 CD1 ILE A 56 -10.859 -30.654 -4.700 1.00 51.32 C ATOM 0 H ILE A 56 -10.087 -29.463 -8.380 1.00 32.33 H new ATOM 0 HA ILE A 56 -8.255 -27.915 -6.532 1.00 64.11 H new ATOM 0 HB ILE A 56 -9.307 -30.791 -6.729 1.00 14.43 H new ATOM 0 HG12 ILE A 56 -9.631 -28.904 -4.378 1.00 44.33 H new ATOM 0 HG13 ILE A 56 -10.712 -28.770 -5.751 1.00 44.33 H new ATOM 0 HG21 ILE A 56 -8.039 -31.192 -4.629 1.00 42.32 H new ATOM 0 HG22 ILE A 56 -6.945 -30.739 -5.957 1.00 42.32 H new ATOM 0 HG23 ILE A 56 -7.379 -29.542 -4.714 1.00 42.32 H new ATOM 0 HD11 ILE A 56 -11.653 -30.303 -4.041 1.00 51.32 H new ATOM 0 HD12 ILE A 56 -11.297 -31.188 -5.543 1.00 51.32 H new ATOM 0 HD13 ILE A 56 -10.199 -31.324 -4.149 1.00 51.32 H new ATOM 916 N LEU A 57 -6.162 -28.627 -7.628 1.00 13.40 N ATOM 917 CA LEU A 57 -4.933 -28.997 -8.384 1.00 73.13 C ATOM 918 C LEU A 57 -4.018 -29.865 -7.509 1.00 4.42 C ATOM 919 O LEU A 57 -3.562 -29.433 -6.470 1.00 54.30 O ATOM 920 CB LEU A 57 -4.261 -27.666 -8.718 1.00 43.14 C ATOM 921 CG LEU A 57 -2.890 -27.928 -9.341 1.00 21.14 C ATOM 922 CD1 LEU A 57 -2.963 -27.701 -10.854 1.00 0.45 C ATOM 923 CD2 LEU A 57 -1.867 -26.969 -8.734 1.00 30.53 C ATOM 0 H LEU A 57 -6.042 -27.893 -6.931 1.00 13.40 H new ATOM 0 HA LEU A 57 -5.153 -29.576 -9.281 1.00 73.13 H new ATOM 0 HB2 LEU A 57 -4.883 -27.096 -9.408 1.00 43.14 H new ATOM 0 HB3 LEU A 57 -4.153 -27.065 -7.815 1.00 43.14 H new ATOM 0 HG LEU A 57 -2.591 -28.957 -9.142 1.00 21.14 H new ATOM 0 HD11 LEU A 57 -1.985 -27.888 -11.298 1.00 0.45 H new ATOM 0 HD12 LEU A 57 -3.695 -28.381 -11.289 1.00 0.45 H new ATOM 0 HD13 LEU A 57 -3.261 -26.672 -11.054 1.00 0.45 H new ATOM 0 HD21 LEU A 57 -0.888 -27.154 -9.176 1.00 30.53 H new ATOM 0 HD22 LEU A 57 -2.168 -25.941 -8.935 1.00 30.53 H new ATOM 0 HD23 LEU A 57 -1.814 -27.128 -7.657 1.00 30.53 H new ATOM 935 N PRO A 58 -3.788 -31.068 -7.964 1.00 74.33 N ATOM 936 CA PRO A 58 -2.923 -32.015 -7.220 1.00 33.54 C ATOM 937 C PRO A 58 -1.449 -31.632 -7.371 1.00 2.13 C ATOM 938 O PRO A 58 -1.111 -30.646 -7.997 1.00 41.31 O ATOM 939 CB PRO A 58 -3.199 -33.356 -7.892 1.00 34.34 C ATOM 940 CG PRO A 58 -3.658 -33.011 -9.275 1.00 60.24 C ATOM 941 CD PRO A 58 -4.309 -31.654 -9.204 1.00 63.10 C ATOM 0 HA PRO A 58 -3.127 -32.025 -6.149 1.00 33.54 H new ATOM 0 HB2 PRO A 58 -2.303 -33.976 -7.917 1.00 34.34 H new ATOM 0 HB3 PRO A 58 -3.961 -33.918 -7.352 1.00 34.34 H new ATOM 0 HG2 PRO A 58 -2.816 -32.998 -9.967 1.00 60.24 H new ATOM 0 HG3 PRO A 58 -4.362 -33.757 -9.644 1.00 60.24 H new ATOM 0 HD2 PRO A 58 -4.053 -31.044 -10.071 1.00 63.10 H new ATOM 0 HD3 PRO A 58 -5.396 -31.735 -9.180 1.00 63.10 H new ATOM 949 N LEU A 59 -0.567 -32.409 -6.803 1.00 51.33 N ATOM 950 CA LEU A 59 0.889 -32.097 -6.915 1.00 10.23 C ATOM 951 C LEU A 59 1.610 -33.203 -7.687 1.00 2.44 C ATOM 952 O LEU A 59 2.631 -33.708 -7.267 1.00 60.05 O ATOM 953 CB LEU A 59 1.396 -32.055 -5.481 1.00 40.21 C ATOM 954 CG LEU A 59 1.228 -33.436 -4.844 1.00 61.44 C ATOM 955 CD1 LEU A 59 2.416 -33.722 -3.923 1.00 51.13 C ATOM 956 CD2 LEU A 59 -0.066 -33.468 -4.028 1.00 60.00 C ATOM 0 H LEU A 59 -0.791 -33.247 -6.266 1.00 51.33 H new ATOM 0 HA LEU A 59 1.065 -31.161 -7.445 1.00 10.23 H new ATOM 0 HB2 LEU A 59 2.445 -31.759 -5.463 1.00 40.21 H new ATOM 0 HB3 LEU A 59 0.844 -31.309 -4.910 1.00 40.21 H new ATOM 0 HG LEU A 59 1.184 -34.193 -5.627 1.00 61.44 H new ATOM 0 HD11 LEU A 59 2.296 -34.706 -3.469 1.00 51.13 H new ATOM 0 HD12 LEU A 59 3.339 -33.700 -4.502 1.00 51.13 H new ATOM 0 HD13 LEU A 59 2.460 -32.965 -3.140 1.00 51.13 H new ATOM 0 HD21 LEU A 59 -0.186 -34.452 -3.574 1.00 60.00 H new ATOM 0 HD22 LEU A 59 -0.022 -32.710 -3.246 1.00 60.00 H new ATOM 0 HD23 LEU A 59 -0.914 -33.265 -4.682 1.00 60.00 H new ATOM 968 N ASP A 60 1.088 -33.575 -8.816 1.00 33.44 N ATOM 969 CA ASP A 60 1.738 -34.642 -9.627 1.00 72.34 C ATOM 970 C ASP A 60 1.975 -34.132 -11.047 1.00 22.11 C ATOM 971 O ASP A 60 3.095 -33.934 -11.471 1.00 32.34 O ATOM 972 CB ASP A 60 0.743 -35.804 -9.624 1.00 74.13 C ATOM 973 CG ASP A 60 1.487 -37.111 -9.906 1.00 21.20 C ATOM 974 OD1 ASP A 60 2.436 -37.077 -10.671 1.00 3.12 O ATOM 975 OD2 ASP A 60 1.094 -38.125 -9.350 1.00 54.41 O ATOM 0 H ASP A 60 0.235 -33.186 -9.217 1.00 33.44 H new ATOM 0 HA ASP A 60 2.706 -34.944 -9.229 1.00 72.34 H new ATOM 0 HB2 ASP A 60 0.237 -35.861 -8.660 1.00 74.13 H new ATOM 0 HB3 ASP A 60 -0.026 -35.640 -10.379 1.00 74.13 H new ATOM 980 N GLY A 61 0.920 -33.907 -11.781 1.00 40.03 N ATOM 981 CA GLY A 61 1.074 -33.395 -13.169 1.00 50.44 C ATOM 982 C GLY A 61 1.124 -31.868 -13.130 1.00 74.25 C ATOM 983 O GLY A 61 0.163 -31.214 -12.777 1.00 33.23 O ATOM 0 H GLY A 61 -0.042 -34.056 -11.478 1.00 40.03 H new ATOM 0 HA2 GLY A 61 1.985 -33.791 -13.618 1.00 50.44 H new ATOM 0 HA3 GLY A 61 0.242 -33.729 -13.789 1.00 50.44 H new ATOM 987 N ARG A 62 2.238 -31.291 -13.486 1.00 33.21 N ATOM 988 CA ARG A 62 2.347 -29.803 -13.460 1.00 1.53 C ATOM 989 C ARG A 62 1.902 -29.216 -14.802 1.00 60.14 C ATOM 990 O ARG A 62 2.616 -29.267 -15.782 1.00 31.54 O ATOM 991 CB ARG A 62 3.828 -29.515 -13.215 1.00 43.13 C ATOM 992 CG ARG A 62 4.653 -30.017 -14.402 1.00 44.31 C ATOM 993 CD ARG A 62 6.036 -30.462 -13.914 1.00 21.24 C ATOM 994 NE ARG A 62 6.936 -30.258 -15.083 1.00 50.31 N ATOM 995 CZ ARG A 62 7.767 -31.200 -15.438 1.00 64.12 C ATOM 996 NH1 ARG A 62 8.844 -31.420 -14.734 1.00 10.53 N ATOM 997 NH2 ARG A 62 7.521 -31.922 -16.496 1.00 4.11 N ATOM 0 H ARG A 62 3.077 -31.783 -13.793 1.00 33.21 H new ATOM 0 HA ARG A 62 1.714 -29.358 -12.692 1.00 1.53 H new ATOM 0 HB2 ARG A 62 3.983 -28.445 -13.079 1.00 43.13 H new ATOM 0 HB3 ARG A 62 4.157 -30.004 -12.298 1.00 43.13 H new ATOM 0 HG2 ARG A 62 4.142 -30.849 -14.887 1.00 44.31 H new ATOM 0 HG3 ARG A 62 4.755 -29.228 -15.147 1.00 44.31 H new ATOM 0 HD2 ARG A 62 6.361 -29.873 -13.057 1.00 21.24 H new ATOM 0 HD3 ARG A 62 6.027 -31.505 -13.599 1.00 21.24 H new ATOM 0 HE ARG A 62 6.903 -29.383 -15.606 1.00 50.31 H new ATOM 0 HH11 ARG A 62 9.036 -30.856 -13.906 1.00 10.53 H new ATOM 0 HH12 ARG A 62 9.493 -32.156 -15.012 1.00 10.53 H new ATOM 0 HH21 ARG A 62 6.679 -31.751 -17.046 1.00 4.11 H new ATOM 0 HH22 ARG A 62 8.170 -32.658 -16.773 1.00 4.11 H new ATOM 1011 N LYS A 63 0.720 -28.662 -14.849 1.00 2.52 N ATOM 1012 CA LYS A 63 0.218 -28.070 -16.122 1.00 13.44 C ATOM 1013 C LYS A 63 -0.051 -26.573 -15.944 1.00 71.42 C ATOM 1014 O LYS A 63 -0.200 -26.087 -14.841 1.00 44.34 O ATOM 1015 CB LYS A 63 -1.084 -28.818 -16.414 1.00 14.02 C ATOM 1016 CG LYS A 63 -2.125 -28.465 -15.348 1.00 51.44 C ATOM 1017 CD LYS A 63 -3.303 -29.440 -15.441 1.00 75.22 C ATOM 1018 CE LYS A 63 -2.959 -30.732 -14.695 1.00 50.21 C ATOM 1019 NZ LYS A 63 -3.235 -30.438 -13.262 1.00 50.51 N ATOM 0 H LYS A 63 0.079 -28.594 -14.058 1.00 2.52 H new ATOM 0 HA LYS A 63 0.938 -28.165 -16.935 1.00 13.44 H new ATOM 0 HB2 LYS A 63 -1.456 -28.551 -17.403 1.00 14.02 H new ATOM 0 HB3 LYS A 63 -0.905 -29.893 -16.421 1.00 14.02 H new ATOM 0 HG2 LYS A 63 -1.676 -28.514 -14.356 1.00 51.44 H new ATOM 0 HG3 LYS A 63 -2.474 -27.442 -15.490 1.00 51.44 H new ATOM 0 HD2 LYS A 63 -4.197 -28.988 -15.013 1.00 75.22 H new ATOM 0 HD3 LYS A 63 -3.526 -29.659 -16.485 1.00 75.22 H new ATOM 0 HE2 LYS A 63 -3.565 -31.566 -15.050 1.00 50.21 H new ATOM 0 HE3 LYS A 63 -1.916 -31.009 -14.847 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 -2.385 -30.636 -12.697 1.00 50.51 H new ATOM 0 HZ2 LYS A 63 -3.495 -29.437 -13.157 1.00 50.51 H new ATOM 0 HZ3 LYS A 63 -4.018 -31.036 -12.930 1.00 50.51 H new ATOM 1033 N LYS A 64 -0.115 -25.841 -17.022 1.00 22.33 N ATOM 1034 CA LYS A 64 -0.378 -24.376 -16.915 1.00 33.03 C ATOM 1035 C LYS A 64 -1.877 -24.099 -17.041 1.00 2.22 C ATOM 1036 O LYS A 64 -2.588 -24.784 -17.750 1.00 21.42 O ATOM 1037 CB LYS A 64 0.385 -23.746 -18.082 1.00 71.13 C ATOM 1038 CG LYS A 64 1.839 -24.223 -18.061 1.00 43.13 C ATOM 1039 CD LYS A 64 2.516 -23.756 -16.770 1.00 30.01 C ATOM 1040 CE LYS A 64 3.829 -24.519 -16.574 1.00 50.02 C ATOM 1041 NZ LYS A 64 4.671 -23.633 -15.719 1.00 10.14 N ATOM 0 H LYS A 64 0.003 -26.193 -17.972 1.00 22.33 H new ATOM 0 HA LYS A 64 -0.059 -23.969 -15.956 1.00 33.03 H new ATOM 0 HB2 LYS A 64 -0.085 -24.020 -19.027 1.00 71.13 H new ATOM 0 HB3 LYS A 64 0.347 -22.659 -18.010 1.00 71.13 H new ATOM 0 HG2 LYS A 64 1.876 -25.310 -18.130 1.00 43.13 H new ATOM 0 HG3 LYS A 64 2.373 -23.830 -18.926 1.00 43.13 H new ATOM 0 HD2 LYS A 64 2.710 -22.684 -16.816 1.00 30.01 H new ATOM 0 HD3 LYS A 64 1.855 -23.924 -15.919 1.00 30.01 H new ATOM 0 HE2 LYS A 64 3.657 -25.482 -16.094 1.00 50.02 H new ATOM 0 HE3 LYS A 64 4.314 -24.721 -17.529 1.00 50.02 H new ATOM 0 HZ1 LYS A 64 5.588 -24.091 -15.542 1.00 10.14 H new ATOM 0 HZ2 LYS A 64 4.824 -22.726 -16.204 1.00 10.14 H new ATOM 0 HZ3 LYS A 64 4.188 -23.464 -14.813 1.00 10.14 H new ATOM 1055 N LEU A 65 -2.364 -23.103 -16.353 1.00 13.54 N ATOM 1056 CA LEU A 65 -3.818 -22.782 -16.430 1.00 24.51 C ATOM 1057 C LEU A 65 -4.054 -21.586 -17.352 1.00 3.33 C ATOM 1058 O LEU A 65 -3.167 -20.802 -17.610 1.00 14.53 O ATOM 1059 CB LEU A 65 -4.221 -22.433 -14.997 1.00 63.52 C ATOM 1060 CG LEU A 65 -3.980 -23.635 -14.086 1.00 44.42 C ATOM 1061 CD1 LEU A 65 -4.026 -23.185 -12.623 1.00 10.24 C ATOM 1062 CD2 LEU A 65 -5.068 -24.685 -14.329 1.00 31.13 C ATOM 0 H LEU A 65 -1.818 -22.497 -15.741 1.00 13.54 H new ATOM 0 HA LEU A 65 -4.399 -23.612 -16.832 1.00 24.51 H new ATOM 0 HB2 LEU A 65 -3.645 -21.577 -14.645 1.00 63.52 H new ATOM 0 HB3 LEU A 65 -5.272 -22.145 -14.965 1.00 63.52 H new ATOM 0 HG LEU A 65 -3.002 -24.065 -14.304 1.00 44.42 H new ATOM 0 HD11 LEU A 65 -3.854 -24.043 -11.973 1.00 10.24 H new ATOM 0 HD12 LEU A 65 -3.253 -22.436 -12.448 1.00 10.24 H new ATOM 0 HD13 LEU A 65 -5.004 -22.755 -12.405 1.00 10.24 H new ATOM 0 HD21 LEU A 65 -4.897 -25.543 -13.679 1.00 31.13 H new ATOM 0 HD22 LEU A 65 -6.045 -24.254 -14.111 1.00 31.13 H new ATOM 0 HD23 LEU A 65 -5.038 -25.006 -15.370 1.00 31.13 H new ATOM 1074 N VAL A 66 -5.254 -21.439 -17.844 1.00 62.34 N ATOM 1075 CA VAL A 66 -5.557 -20.287 -18.741 1.00 14.23 C ATOM 1076 C VAL A 66 -6.088 -19.113 -17.915 1.00 74.11 C ATOM 1077 O VAL A 66 -6.160 -17.992 -18.381 1.00 2.41 O ATOM 1078 CB VAL A 66 -6.631 -20.804 -19.697 1.00 31.14 C ATOM 1079 CG1 VAL A 66 -6.057 -21.944 -20.541 1.00 31.12 C ATOM 1080 CG2 VAL A 66 -7.824 -21.321 -18.892 1.00 51.50 C ATOM 0 H VAL A 66 -6.038 -22.067 -17.664 1.00 62.34 H new ATOM 0 HA VAL A 66 -4.677 -19.930 -19.277 1.00 14.23 H new ATOM 0 HB VAL A 66 -6.955 -19.994 -20.350 1.00 31.14 H new ATOM 0 HG11 VAL A 66 -6.823 -22.313 -21.223 1.00 31.12 H new ATOM 0 HG12 VAL A 66 -5.205 -21.579 -21.115 1.00 31.12 H new ATOM 0 HG13 VAL A 66 -5.733 -22.754 -19.887 1.00 31.12 H new ATOM 0 HG21 VAL A 66 -8.590 -21.690 -19.574 1.00 51.50 H new ATOM 0 HG22 VAL A 66 -7.499 -22.131 -18.239 1.00 51.50 H new ATOM 0 HG23 VAL A 66 -8.234 -20.511 -18.289 1.00 51.50 H new ATOM 1090 N ASN A 67 -6.455 -19.361 -16.687 1.00 3.24 N ATOM 1091 CA ASN A 67 -6.980 -18.258 -15.830 1.00 22.11 C ATOM 1092 C ASN A 67 -5.817 -17.496 -15.190 1.00 42.44 C ATOM 1093 O ASN A 67 -5.586 -16.338 -15.477 1.00 51.50 O ATOM 1094 CB ASN A 67 -7.823 -18.944 -14.746 1.00 33.02 C ATOM 1095 CG ASN A 67 -8.578 -20.135 -15.344 1.00 44.52 C ATOM 1096 OD1 ASN A 67 -9.327 -19.984 -16.290 1.00 55.21 O ATOM 1097 ND2 ASN A 67 -8.411 -21.323 -14.828 1.00 73.42 N ATOM 0 H ASN A 67 -6.414 -20.277 -16.240 1.00 3.24 H new ATOM 0 HA ASN A 67 -7.567 -17.540 -16.404 1.00 22.11 H new ATOM 0 HB2 ASN A 67 -7.180 -19.282 -13.933 1.00 33.02 H new ATOM 0 HB3 ASN A 67 -8.530 -18.232 -14.319 1.00 33.02 H new ATOM 0 HD21 ASN A 67 -8.909 -22.123 -15.219 1.00 73.42 H new ATOM 0 HD22 ASN A 67 -7.783 -21.451 -14.035 1.00 73.42 H new ATOM 1104 N ALA A 68 -5.082 -18.138 -14.324 1.00 41.30 N ATOM 1105 CA ALA A 68 -3.935 -17.454 -13.663 1.00 53.31 C ATOM 1106 C ALA A 68 -2.663 -18.290 -13.815 1.00 53.04 C ATOM 1107 O ALA A 68 -2.716 -19.485 -14.026 1.00 43.30 O ATOM 1108 CB ALA A 68 -4.334 -17.348 -12.190 1.00 45.32 C ATOM 0 H ALA A 68 -5.227 -19.108 -14.045 1.00 41.30 H new ATOM 0 HA ALA A 68 -3.727 -16.478 -14.101 1.00 53.31 H new ATOM 0 HB1 ALA A 68 -3.539 -16.854 -11.632 1.00 45.32 H new ATOM 0 HB2 ALA A 68 -5.253 -16.768 -12.103 1.00 45.32 H new ATOM 0 HB3 ALA A 68 -4.495 -18.347 -11.784 1.00 45.32 H new ATOM 1114 N ASP A 69 -1.519 -17.674 -13.702 1.00 74.42 N ATOM 1115 CA ASP A 69 -0.252 -18.442 -13.835 1.00 31.42 C ATOM 1116 C ASP A 69 0.083 -19.122 -12.508 1.00 55.31 C ATOM 1117 O ASP A 69 0.429 -18.479 -11.537 1.00 42.51 O ATOM 1118 CB ASP A 69 0.809 -17.400 -14.193 1.00 53.44 C ATOM 1119 CG ASP A 69 0.377 -16.644 -15.449 1.00 60.12 C ATOM 1120 OD1 ASP A 69 -0.709 -16.087 -15.437 1.00 64.01 O ATOM 1121 OD2 ASP A 69 1.138 -16.634 -16.403 1.00 31.44 O ATOM 0 H ASP A 69 -1.408 -16.676 -13.524 1.00 74.42 H new ATOM 0 HA ASP A 69 -0.316 -19.226 -14.589 1.00 31.42 H new ATOM 0 HB2 ASP A 69 0.944 -16.704 -13.365 1.00 53.44 H new ATOM 0 HB3 ASP A 69 1.770 -17.887 -14.361 1.00 53.44 H new ATOM 1126 N ILE A 70 -0.021 -20.420 -12.462 1.00 14.40 N ATOM 1127 CA ILE A 70 0.286 -21.152 -11.199 1.00 54.31 C ATOM 1128 C ILE A 70 1.692 -20.790 -10.702 1.00 2.24 C ATOM 1129 O ILE A 70 1.981 -20.856 -9.524 1.00 21.33 O ATOM 1130 CB ILE A 70 0.171 -22.645 -11.572 1.00 52.54 C ATOM 1131 CG1 ILE A 70 -0.506 -23.400 -10.424 1.00 24.32 C ATOM 1132 CG2 ILE A 70 1.555 -23.254 -11.833 1.00 74.05 C ATOM 1133 CD1 ILE A 70 0.256 -23.148 -9.123 1.00 34.30 C ATOM 0 H ILE A 70 -0.306 -21.008 -13.245 1.00 14.40 H new ATOM 0 HA ILE A 70 -0.391 -20.895 -10.385 1.00 54.31 H new ATOM 0 HB ILE A 70 -0.422 -22.731 -12.483 1.00 52.54 H new ATOM 0 HG12 ILE A 70 -1.540 -23.073 -10.320 1.00 24.32 H new ATOM 0 HG13 ILE A 70 -0.530 -24.468 -10.642 1.00 24.32 H new ATOM 0 HG21 ILE A 70 1.446 -24.307 -12.094 1.00 74.05 H new ATOM 0 HG22 ILE A 70 2.036 -22.724 -12.655 1.00 74.05 H new ATOM 0 HG23 ILE A 70 2.167 -23.164 -10.936 1.00 74.05 H new ATOM 0 HD11 ILE A 70 -0.228 -23.686 -8.308 1.00 34.30 H new ATOM 0 HD12 ILE A 70 1.283 -23.497 -9.229 1.00 34.30 H new ATOM 0 HD13 ILE A 70 0.257 -22.080 -8.903 1.00 34.30 H new ATOM 1145 N GLU A 71 2.566 -20.403 -11.593 1.00 11.42 N ATOM 1146 CA GLU A 71 3.948 -20.036 -11.169 1.00 22.14 C ATOM 1147 C GLU A 71 3.921 -18.716 -10.394 1.00 3.31 C ATOM 1148 O GLU A 71 4.513 -18.592 -9.340 1.00 3.50 O ATOM 1149 CB GLU A 71 4.735 -19.874 -12.469 1.00 15.45 C ATOM 1150 CG GLU A 71 4.959 -21.250 -13.105 1.00 54.52 C ATOM 1151 CD GLU A 71 6.460 -21.513 -13.234 1.00 33.05 C ATOM 1152 OE1 GLU A 71 7.157 -20.631 -13.709 1.00 71.40 O ATOM 1153 OE2 GLU A 71 6.886 -22.592 -12.859 1.00 73.44 O ATOM 0 H GLU A 71 2.383 -20.325 -12.593 1.00 11.42 H new ATOM 0 HA GLU A 71 4.394 -20.786 -10.516 1.00 22.14 H new ATOM 0 HB2 GLU A 71 4.191 -19.227 -13.158 1.00 15.45 H new ATOM 0 HB3 GLU A 71 5.693 -19.393 -12.269 1.00 15.45 H new ATOM 0 HG2 GLU A 71 4.494 -22.025 -12.495 1.00 54.52 H new ATOM 0 HG3 GLU A 71 4.486 -21.290 -14.086 1.00 54.52 H new ATOM 1160 N LYS A 72 3.234 -17.733 -10.906 1.00 61.50 N ATOM 1161 CA LYS A 72 3.168 -16.425 -10.195 1.00 23.43 C ATOM 1162 C LYS A 72 2.446 -16.595 -8.857 1.00 24.32 C ATOM 1163 O LYS A 72 2.552 -15.770 -7.973 1.00 71.42 O ATOM 1164 CB LYS A 72 2.370 -15.506 -11.121 1.00 21.15 C ATOM 1165 CG LYS A 72 3.332 -14.672 -11.970 1.00 53.12 C ATOM 1166 CD LYS A 72 4.120 -13.718 -11.067 1.00 2.43 C ATOM 1167 CE LYS A 72 3.147 -12.849 -10.271 1.00 44.24 C ATOM 1168 NZ LYS A 72 3.974 -11.728 -9.749 1.00 31.23 N ATOM 0 H LYS A 72 2.716 -17.778 -11.784 1.00 61.50 H new ATOM 0 HA LYS A 72 4.157 -16.021 -9.978 1.00 23.43 H new ATOM 0 HB2 LYS A 72 1.720 -16.098 -11.765 1.00 21.15 H new ATOM 0 HB3 LYS A 72 1.726 -14.851 -10.534 1.00 21.15 H new ATOM 0 HG2 LYS A 72 4.017 -15.326 -12.510 1.00 53.12 H new ATOM 0 HG3 LYS A 72 2.776 -14.106 -12.717 1.00 53.12 H new ATOM 0 HD2 LYS A 72 4.756 -14.286 -10.388 1.00 2.43 H new ATOM 0 HD3 LYS A 72 4.777 -13.090 -11.669 1.00 2.43 H new ATOM 0 HE2 LYS A 72 2.338 -12.482 -10.902 1.00 44.24 H new ATOM 0 HE3 LYS A 72 2.688 -13.412 -9.459 1.00 44.24 H new ATOM 0 HZ1 LYS A 72 3.376 -11.086 -9.190 1.00 31.23 H new ATOM 0 HZ2 LYS A 72 4.732 -12.107 -9.146 1.00 31.23 H new ATOM 0 HZ3 LYS A 72 4.393 -11.206 -10.545 1.00 31.23 H new ATOM 1182 N VAL A 73 1.717 -17.663 -8.703 1.00 4.40 N ATOM 1183 CA VAL A 73 0.990 -17.892 -7.421 1.00 10.12 C ATOM 1184 C VAL A 73 1.937 -18.498 -6.383 1.00 21.04 C ATOM 1185 O VAL A 73 1.816 -18.245 -5.200 1.00 24.21 O ATOM 1186 CB VAL A 73 -0.126 -18.876 -7.768 1.00 31.23 C ATOM 1187 CG1 VAL A 73 -1.050 -19.049 -6.563 1.00 44.41 C ATOM 1188 CG2 VAL A 73 -0.931 -18.333 -8.951 1.00 2.44 C ATOM 0 H VAL A 73 1.592 -18.389 -9.409 1.00 4.40 H new ATOM 0 HA VAL A 73 0.598 -16.968 -6.995 1.00 10.12 H new ATOM 0 HB VAL A 73 0.309 -19.840 -8.032 1.00 31.23 H new ATOM 0 HG11 VAL A 73 -1.845 -19.751 -6.812 1.00 44.41 H new ATOM 0 HG12 VAL A 73 -0.478 -19.433 -5.718 1.00 44.41 H new ATOM 0 HG13 VAL A 73 -1.486 -18.086 -6.298 1.00 44.41 H new ATOM 0 HG21 VAL A 73 -1.728 -19.033 -9.201 1.00 2.44 H new ATOM 0 HG22 VAL A 73 -1.365 -17.369 -8.684 1.00 2.44 H new ATOM 0 HG23 VAL A 73 -0.274 -18.209 -9.812 1.00 2.44 H new ATOM 1198 N LYS A 74 2.879 -19.290 -6.813 1.00 62.43 N ATOM 1199 CA LYS A 74 3.832 -19.903 -5.844 1.00 52.33 C ATOM 1200 C LYS A 74 4.413 -18.817 -4.935 1.00 15.42 C ATOM 1201 O LYS A 74 4.377 -18.921 -3.726 1.00 73.01 O ATOM 1202 CB LYS A 74 4.931 -20.533 -6.701 1.00 73.11 C ATOM 1203 CG LYS A 74 4.325 -21.602 -7.612 1.00 15.43 C ATOM 1204 CD LYS A 74 4.214 -22.924 -6.849 1.00 10.44 C ATOM 1205 CE LYS A 74 2.742 -23.321 -6.730 1.00 22.53 C ATOM 1206 NZ LYS A 74 2.730 -24.489 -5.805 1.00 21.11 N ATOM 0 H LYS A 74 3.031 -19.539 -7.790 1.00 62.43 H new ATOM 0 HA LYS A 74 3.353 -20.642 -5.201 1.00 52.33 H new ATOM 0 HB2 LYS A 74 5.422 -19.767 -7.300 1.00 73.11 H new ATOM 0 HB3 LYS A 74 5.695 -20.976 -6.062 1.00 73.11 H new ATOM 0 HG2 LYS A 74 3.340 -21.285 -7.956 1.00 15.43 H new ATOM 0 HG3 LYS A 74 4.946 -21.733 -8.498 1.00 15.43 H new ATOM 0 HD2 LYS A 74 4.771 -23.704 -7.368 1.00 10.44 H new ATOM 0 HD3 LYS A 74 4.656 -22.822 -5.858 1.00 10.44 H new ATOM 0 HE2 LYS A 74 2.143 -22.500 -6.337 1.00 22.53 H new ATOM 0 HE3 LYS A 74 2.324 -23.583 -7.702 1.00 22.53 H new ATOM 0 HZ1 LYS A 74 2.375 -25.327 -6.309 1.00 21.11 H new ATOM 0 HZ2 LYS A 74 3.696 -24.672 -5.465 1.00 21.11 H new ATOM 0 HZ3 LYS A 74 2.111 -24.284 -4.995 1.00 21.11 H new ATOM 1220 N GLN A 75 4.947 -17.773 -5.510 1.00 1.43 N ATOM 1221 CA GLN A 75 5.524 -16.679 -4.677 1.00 74.32 C ATOM 1222 C GLN A 75 4.436 -16.062 -3.796 1.00 31.11 C ATOM 1223 O GLN A 75 4.717 -15.384 -2.827 1.00 51.21 O ATOM 1224 CB GLN A 75 6.059 -15.652 -5.678 1.00 14.33 C ATOM 1225 CG GLN A 75 4.925 -15.197 -6.599 1.00 62.21 C ATOM 1226 CD GLN A 75 4.203 -14.005 -5.967 1.00 50.14 C ATOM 1227 OE1 GLN A 75 2.927 -14.094 -5.709 1.00 45.30 O flip ATOM 1228 NE2 GLN A 75 4.806 -12.982 -5.708 1.00 74.23 N flip ATOM 0 H GLN A 75 5.009 -17.631 -6.518 1.00 1.43 H new ATOM 0 HA GLN A 75 6.308 -17.036 -4.010 1.00 74.32 H new ATOM 0 HB2 GLN A 75 6.477 -14.796 -5.148 1.00 14.33 H new ATOM 0 HB3 GLN A 75 6.866 -16.088 -6.266 1.00 14.33 H new ATOM 0 HG2 GLN A 75 5.324 -14.919 -7.575 1.00 62.21 H new ATOM 0 HG3 GLN A 75 4.224 -16.016 -6.763 1.00 62.21 H new ATOM 0 HE21 GLN A 75 5.803 -12.913 -5.910 1.00 74.23 H new ATOM 0 HE22 GLN A 75 4.315 -12.193 -5.289 1.00 74.23 H new ATOM 1237 N ALA A 76 3.197 -16.294 -4.124 1.00 1.03 N ATOM 1238 CA ALA A 76 2.088 -15.726 -3.304 1.00 63.31 C ATOM 1239 C ALA A 76 1.726 -16.691 -2.172 1.00 31.24 C ATOM 1240 O ALA A 76 1.532 -16.295 -1.041 1.00 32.40 O ATOM 1241 CB ALA A 76 0.913 -15.578 -4.271 1.00 11.34 C ATOM 0 H ALA A 76 2.902 -16.853 -4.925 1.00 1.03 H new ATOM 0 HA ALA A 76 2.360 -14.776 -2.844 1.00 63.31 H new ATOM 0 HB1 ALA A 76 0.055 -15.164 -3.741 1.00 11.34 H new ATOM 0 HB2 ALA A 76 1.193 -14.909 -5.085 1.00 11.34 H new ATOM 0 HB3 ALA A 76 0.651 -16.555 -4.678 1.00 11.34 H new ATOM 1247 N LEU A 77 1.639 -17.957 -2.474 1.00 55.42 N ATOM 1248 CA LEU A 77 1.292 -18.953 -1.420 1.00 13.03 C ATOM 1249 C LEU A 77 2.497 -19.190 -0.506 1.00 41.31 C ATOM 1250 O LEU A 77 2.354 -19.467 0.669 1.00 35.34 O ATOM 1251 CB LEU A 77 0.937 -20.229 -2.186 1.00 65.25 C ATOM 1252 CG LEU A 77 -0.105 -19.909 -3.261 1.00 50.54 C ATOM 1253 CD1 LEU A 77 -0.510 -21.195 -3.980 1.00 34.51 C ATOM 1254 CD2 LEU A 77 -1.335 -19.278 -2.605 1.00 5.13 C ATOM 0 H LEU A 77 1.793 -18.345 -3.405 1.00 55.42 H new ATOM 0 HA LEU A 77 0.472 -18.619 -0.784 1.00 13.03 H new ATOM 0 HB2 LEU A 77 1.831 -20.650 -2.646 1.00 65.25 H new ATOM 0 HB3 LEU A 77 0.547 -20.981 -1.500 1.00 65.25 H new ATOM 0 HG LEU A 77 0.319 -19.211 -3.983 1.00 50.54 H new ATOM 0 HD11 LEU A 77 -1.252 -20.966 -4.745 1.00 34.51 H new ATOM 0 HD12 LEU A 77 0.367 -21.642 -4.448 1.00 34.51 H new ATOM 0 HD13 LEU A 77 -0.935 -21.896 -3.261 1.00 34.51 H new ATOM 0 HD21 LEU A 77 -2.078 -19.049 -3.369 1.00 5.13 H new ATOM 0 HD22 LEU A 77 -1.760 -19.975 -1.883 1.00 5.13 H new ATOM 0 HD23 LEU A 77 -1.045 -18.359 -2.095 1.00 5.13 H new ATOM 1266 N THR A 78 3.683 -19.077 -1.036 1.00 52.12 N ATOM 1267 CA THR A 78 4.899 -19.290 -0.199 1.00 42.53 C ATOM 1268 C THR A 78 5.155 -18.059 0.676 1.00 13.54 C ATOM 1269 O THR A 78 5.670 -18.160 1.772 1.00 13.20 O ATOM 1270 CB THR A 78 6.038 -19.486 -1.200 1.00 60.23 C ATOM 1271 OG1 THR A 78 7.174 -20.008 -0.527 1.00 2.45 O ATOM 1272 CG2 THR A 78 6.394 -18.144 -1.840 1.00 3.42 C ATOM 0 H THR A 78 3.864 -18.846 -2.013 1.00 52.12 H new ATOM 0 HA THR A 78 4.798 -20.143 0.473 1.00 42.53 H new ATOM 0 HB THR A 78 5.723 -20.184 -1.976 1.00 60.23 H new ATOM 0 HG1 THR A 78 7.904 -20.135 -1.168 1.00 2.45 H new ATOM 0 HG21 THR A 78 7.206 -18.285 -2.553 1.00 3.42 H new ATOM 0 HG22 THR A 78 5.522 -17.745 -2.358 1.00 3.42 H new ATOM 0 HG23 THR A 78 6.708 -17.444 -1.066 1.00 3.42 H new ATOM 1280 N GLU A 79 4.799 -16.898 0.197 1.00 24.54 N ATOM 1281 CA GLU A 79 5.019 -15.663 0.995 1.00 75.22 C ATOM 1282 C GLU A 79 3.751 -15.304 1.772 1.00 51.12 C ATOM 1283 O GLU A 79 3.791 -15.031 2.955 1.00 12.00 O ATOM 1284 CB GLU A 79 5.336 -14.579 -0.035 1.00 70.35 C ATOM 1285 CG GLU A 79 6.719 -14.835 -0.638 1.00 73.34 C ATOM 1286 CD GLU A 79 7.697 -13.771 -0.139 1.00 30.32 C ATOM 1287 OE1 GLU A 79 7.629 -13.434 1.033 1.00 34.31 O ATOM 1288 OE2 GLU A 79 8.500 -13.312 -0.934 1.00 2.23 O ATOM 0 H GLU A 79 4.365 -16.754 -0.715 1.00 24.54 H new ATOM 0 HA GLU A 79 5.819 -15.781 1.726 1.00 75.22 H new ATOM 0 HB2 GLU A 79 4.580 -14.577 -0.820 1.00 70.35 H new ATOM 0 HB3 GLU A 79 5.309 -13.596 0.436 1.00 70.35 H new ATOM 0 HG2 GLU A 79 7.071 -15.828 -0.358 1.00 73.34 H new ATOM 0 HG3 GLU A 79 6.663 -14.811 -1.726 1.00 73.34 H new ATOM 1295 N GLN A 80 2.625 -15.302 1.114 1.00 21.32 N ATOM 1296 CA GLN A 80 1.351 -14.960 1.808 1.00 30.53 C ATOM 1297 C GLN A 80 0.571 -16.241 2.107 1.00 61.22 C ATOM 1298 O GLN A 80 0.208 -16.514 3.232 1.00 64.14 O ATOM 1299 CB GLN A 80 0.558 -14.085 0.830 1.00 0.14 C ATOM 1300 CG GLN A 80 1.502 -13.175 0.032 1.00 5.32 C ATOM 1301 CD GLN A 80 0.745 -12.585 -1.160 1.00 41.22 C ATOM 1302 OE1 GLN A 80 0.090 -13.382 -1.959 1.00 41.21 O flip ATOM 1303 NE2 GLN A 80 0.752 -11.388 -1.366 1.00 63.51 N flip ATOM 0 H GLN A 80 2.532 -15.523 0.123 1.00 21.32 H new ATOM 0 HA GLN A 80 1.530 -14.444 2.751 1.00 30.53 H new ATOM 0 HB2 GLN A 80 -0.010 -14.717 0.147 1.00 0.14 H new ATOM 0 HB3 GLN A 80 -0.163 -13.479 1.378 1.00 0.14 H new ATOM 0 HG2 GLN A 80 1.881 -12.376 0.669 1.00 5.32 H new ATOM 0 HG3 GLN A 80 2.366 -13.742 -0.315 1.00 5.32 H new ATOM 0 HE21 GLN A 80 1.264 -10.766 -0.741 1.00 63.51 H new ATOM 0 HE22 GLN A 80 0.246 -11.005 -2.164 1.00 63.51 H new ATOM 1312 N GLY A 81 0.313 -17.027 1.098 1.00 50.24 N ATOM 1313 CA GLY A 81 -0.442 -18.291 1.308 1.00 4.43 C ATOM 1314 C GLY A 81 -1.723 -18.267 0.472 1.00 70.24 C ATOM 1315 O GLY A 81 -2.505 -19.197 0.494 1.00 11.22 O ATOM 0 H GLY A 81 0.594 -16.846 0.134 1.00 50.24 H new ATOM 0 HA2 GLY A 81 0.173 -19.145 1.025 1.00 4.43 H new ATOM 0 HA3 GLY A 81 -0.686 -18.410 2.364 1.00 4.43 H new ATOM 1319 N TYR A 82 -1.946 -17.211 -0.261 1.00 60.32 N ATOM 1320 CA TYR A 82 -3.183 -17.131 -1.096 1.00 61.10 C ATOM 1321 C TYR A 82 -2.940 -16.220 -2.301 1.00 0.14 C ATOM 1322 O TYR A 82 -2.216 -15.248 -2.220 1.00 14.44 O ATOM 1323 CB TYR A 82 -4.275 -16.527 -0.195 1.00 54.12 C ATOM 1324 CG TYR A 82 -3.999 -16.830 1.263 1.00 0.52 C ATOM 1325 CD1 TYR A 82 -2.988 -16.139 1.943 1.00 45.02 C ATOM 1326 CD2 TYR A 82 -4.759 -17.797 1.933 1.00 44.12 C ATOM 1327 CE1 TYR A 82 -2.737 -16.415 3.292 1.00 43.11 C ATOM 1328 CE2 TYR A 82 -4.506 -18.074 3.283 1.00 63.41 C ATOM 1329 CZ TYR A 82 -3.496 -17.382 3.962 1.00 34.14 C ATOM 1330 OH TYR A 82 -3.248 -17.653 5.293 1.00 13.24 O ATOM 0 H TYR A 82 -1.329 -16.401 -0.319 1.00 60.32 H new ATOM 0 HA TYR A 82 -3.474 -18.112 -1.470 1.00 61.10 H new ATOM 0 HB2 TYR A 82 -4.320 -15.448 -0.344 1.00 54.12 H new ATOM 0 HB3 TYR A 82 -5.248 -16.929 -0.477 1.00 54.12 H new ATOM 0 HD1 TYR A 82 -2.402 -15.393 1.426 1.00 45.02 H new ATOM 0 HD2 TYR A 82 -5.540 -18.329 1.409 1.00 44.12 H new ATOM 0 HE1 TYR A 82 -1.958 -15.882 3.816 1.00 43.11 H new ATOM 0 HE2 TYR A 82 -5.090 -18.821 3.800 1.00 63.41 H new ATOM 0 HH TYR A 82 -3.825 -17.093 5.854 1.00 13.24 H new ATOM 1340 N TYR A 83 -3.546 -16.521 -3.415 1.00 2.03 N ATOM 1341 CA TYR A 83 -3.361 -15.666 -4.623 1.00 53.11 C ATOM 1342 C TYR A 83 -4.681 -15.545 -5.381 1.00 45.12 C ATOM 1343 O TYR A 83 -5.248 -16.526 -5.824 1.00 62.42 O ATOM 1344 CB TYR A 83 -2.318 -16.388 -5.474 1.00 23.41 C ATOM 1345 CG TYR A 83 -2.126 -15.637 -6.769 1.00 14.33 C ATOM 1346 CD1 TYR A 83 -3.136 -15.643 -7.738 1.00 22.41 C ATOM 1347 CD2 TYR A 83 -0.938 -14.932 -7.001 1.00 73.23 C ATOM 1348 CE1 TYR A 83 -2.960 -14.943 -8.937 1.00 12.33 C ATOM 1349 CE2 TYR A 83 -0.760 -14.233 -8.200 1.00 75.41 C ATOM 1350 CZ TYR A 83 -1.771 -14.239 -9.169 1.00 61.13 C ATOM 1351 OH TYR A 83 -1.596 -13.550 -10.351 1.00 64.31 O ATOM 0 H TYR A 83 -4.163 -17.323 -3.543 1.00 2.03 H new ATOM 0 HA TYR A 83 -3.041 -14.655 -4.368 1.00 53.11 H new ATOM 0 HB2 TYR A 83 -1.373 -16.453 -4.934 1.00 23.41 H new ATOM 0 HB3 TYR A 83 -2.641 -17.409 -5.677 1.00 23.41 H new ATOM 0 HD1 TYR A 83 -4.051 -16.188 -7.560 1.00 22.41 H new ATOM 0 HD2 TYR A 83 -0.158 -14.928 -6.254 1.00 73.23 H new ATOM 0 HE1 TYR A 83 -3.741 -14.945 -9.683 1.00 12.33 H new ATOM 0 HE2 TYR A 83 0.156 -13.689 -8.378 1.00 75.41 H new ATOM 0 HH TYR A 83 -0.717 -13.116 -10.350 1.00 64.31 H new ATOM 1361 N LEU A 84 -5.182 -14.351 -5.530 1.00 20.24 N ATOM 1362 CA LEU A 84 -6.470 -14.167 -6.256 1.00 50.32 C ATOM 1363 C LEU A 84 -6.210 -13.762 -7.707 1.00 2.35 C ATOM 1364 O LEU A 84 -5.465 -12.845 -7.980 1.00 33.41 O ATOM 1365 CB LEU A 84 -7.189 -13.043 -5.507 1.00 54.23 C ATOM 1366 CG LEU A 84 -8.440 -12.630 -6.282 1.00 42.21 C ATOM 1367 CD1 LEU A 84 -9.267 -13.872 -6.614 1.00 52.42 C ATOM 1368 CD2 LEU A 84 -9.277 -11.674 -5.427 1.00 73.04 C ATOM 0 H LEU A 84 -4.755 -13.493 -5.180 1.00 20.24 H new ATOM 0 HA LEU A 84 -7.060 -15.083 -6.285 1.00 50.32 H new ATOM 0 HB2 LEU A 84 -7.462 -13.376 -4.506 1.00 54.23 H new ATOM 0 HB3 LEU A 84 -6.524 -12.188 -5.388 1.00 54.23 H new ATOM 0 HG LEU A 84 -8.147 -12.131 -7.206 1.00 42.21 H new ATOM 0 HD11 LEU A 84 -10.159 -13.578 -7.167 1.00 52.42 H new ATOM 0 HD12 LEU A 84 -8.672 -14.554 -7.222 1.00 52.42 H new ATOM 0 HD13 LEU A 84 -9.560 -14.371 -5.691 1.00 52.42 H new ATOM 0 HD21 LEU A 84 -10.169 -11.379 -5.979 1.00 73.04 H new ATOM 0 HD22 LEU A 84 -9.570 -12.174 -4.504 1.00 73.04 H new ATOM 0 HD23 LEU A 84 -8.688 -10.788 -5.189 1.00 73.04 H new ATOM 1380 N GLN A 85 -6.826 -14.439 -8.638 1.00 53.53 N ATOM 1381 CA GLN A 85 -6.614 -14.082 -10.067 1.00 65.30 C ATOM 1382 C GLN A 85 -7.823 -13.302 -10.598 1.00 52.21 C ATOM 1383 O GLN A 85 -8.949 -13.764 -10.540 1.00 21.20 O ATOM 1384 CB GLN A 85 -6.451 -15.422 -10.796 1.00 60.35 C ATOM 1385 CG GLN A 85 -7.826 -16.046 -11.063 1.00 74.13 C ATOM 1386 CD GLN A 85 -8.397 -15.527 -12.388 1.00 30.41 C ATOM 1387 OE1 GLN A 85 -7.821 -14.527 -13.005 1.00 71.02 O flip ATOM 1388 NE2 GLN A 85 -9.389 -16.038 -12.871 1.00 32.34 N flip ATOM 0 H GLN A 85 -7.462 -15.218 -8.471 1.00 53.53 H new ATOM 0 HA GLN A 85 -5.743 -13.443 -10.214 1.00 65.30 H new ATOM 0 HB2 GLN A 85 -5.922 -15.271 -11.737 1.00 60.35 H new ATOM 0 HB3 GLN A 85 -5.845 -16.101 -10.195 1.00 60.35 H new ATOM 0 HG2 GLN A 85 -7.740 -17.132 -11.097 1.00 74.13 H new ATOM 0 HG3 GLN A 85 -8.507 -15.806 -10.247 1.00 74.13 H new ATOM 0 HE21 GLN A 85 -9.844 -16.818 -12.396 1.00 32.34 H new ATOM 0 HE22 GLN A 85 -9.766 -15.687 -13.751 1.00 32.34 H new ATOM 1397 N LEU A 86 -7.592 -12.124 -11.111 1.00 74.00 N ATOM 1398 CA LEU A 86 -8.714 -11.301 -11.649 1.00 15.01 C ATOM 1399 C LEU A 86 -8.346 -10.755 -13.034 1.00 24.44 C ATOM 1400 O LEU A 86 -7.377 -10.039 -13.180 1.00 22.10 O ATOM 1401 CB LEU A 86 -8.872 -10.155 -10.648 1.00 30.21 C ATOM 1402 CG LEU A 86 -10.310 -10.116 -10.130 1.00 1.44 C ATOM 1403 CD1 LEU A 86 -11.282 -10.207 -11.307 1.00 53.34 C ATOM 1404 CD2 LEU A 86 -10.544 -11.295 -9.183 1.00 62.11 C ATOM 0 H LEU A 86 -6.670 -11.694 -11.181 1.00 74.00 H new ATOM 0 HA LEU A 86 -9.634 -11.874 -11.765 1.00 15.01 H new ATOM 0 HB2 LEU A 86 -8.180 -10.288 -9.817 1.00 30.21 H new ATOM 0 HB3 LEU A 86 -8.621 -9.207 -11.124 1.00 30.21 H new ATOM 0 HG LEU A 86 -10.476 -9.181 -9.595 1.00 1.44 H new ATOM 0 HD11 LEU A 86 -12.306 -10.179 -10.936 1.00 53.34 H new ATOM 0 HD12 LEU A 86 -11.117 -9.366 -11.981 1.00 53.34 H new ATOM 0 HD13 LEU A 86 -11.116 -11.141 -11.844 1.00 53.34 H new ATOM 0 HD21 LEU A 86 -11.569 -11.267 -8.814 1.00 62.11 H new ATOM 0 HD22 LEU A 86 -10.376 -12.230 -9.718 1.00 62.11 H new ATOM 0 HD23 LEU A 86 -9.854 -11.229 -8.342 1.00 62.11 H new ATOM 1416 N PRO A 87 -9.138 -11.115 -14.011 1.00 74.34 N ATOM 1417 CA PRO A 87 -8.889 -10.651 -15.398 1.00 11.51 C ATOM 1418 C PRO A 87 -9.227 -9.163 -15.538 1.00 21.51 C ATOM 1419 O PRO A 87 -9.783 -8.566 -14.639 1.00 51.01 O ATOM 1420 CB PRO A 87 -9.834 -11.510 -16.236 1.00 50.34 C ATOM 1421 CG PRO A 87 -10.925 -11.913 -15.298 1.00 4.03 C ATOM 1422 CD PRO A 87 -10.322 -11.973 -13.918 1.00 45.11 C ATOM 0 HA PRO A 87 -7.847 -10.750 -15.703 1.00 11.51 H new ATOM 0 HB2 PRO A 87 -10.229 -10.950 -17.084 1.00 50.34 H new ATOM 0 HB3 PRO A 87 -9.320 -12.382 -16.641 1.00 50.34 H new ATOM 0 HG2 PRO A 87 -11.745 -11.195 -15.329 1.00 4.03 H new ATOM 0 HG3 PRO A 87 -11.338 -12.881 -15.581 1.00 4.03 H new ATOM 0 HD2 PRO A 87 -11.019 -11.611 -13.162 1.00 45.11 H new ATOM 0 HD3 PRO A 87 -10.055 -12.993 -13.643 1.00 45.11 H new ATOM 1430 N PRO A 88 -8.871 -8.616 -16.670 1.00 51.43 N ATOM 1431 CA PRO A 88 -9.133 -7.179 -16.939 1.00 24.40 C ATOM 1432 C PRO A 88 -10.626 -6.944 -17.193 1.00 14.21 C ATOM 1433 O PRO A 88 -11.366 -7.873 -17.449 1.00 63.20 O ATOM 1434 CB PRO A 88 -8.314 -6.899 -18.195 1.00 34.14 C ATOM 1435 CG PRO A 88 -8.168 -8.225 -18.871 1.00 21.53 C ATOM 1436 CD PRO A 88 -8.199 -9.279 -17.793 1.00 41.13 C ATOM 0 HA PRO A 88 -8.864 -6.529 -16.106 1.00 24.40 H new ATOM 0 HB2 PRO A 88 -8.818 -6.181 -18.842 1.00 34.14 H new ATOM 0 HB3 PRO A 88 -7.341 -6.475 -17.945 1.00 34.14 H new ATOM 0 HG2 PRO A 88 -8.974 -8.383 -19.587 1.00 21.53 H new ATOM 0 HG3 PRO A 88 -7.233 -8.272 -19.429 1.00 21.53 H new ATOM 0 HD2 PRO A 88 -8.744 -10.166 -18.117 1.00 41.13 H new ATOM 0 HD3 PRO A 88 -7.194 -9.603 -17.522 1.00 41.13 H new ATOM 1444 N PRO A 89 -11.016 -5.702 -17.108 1.00 62.33 N ATOM 1445 CA PRO A 89 -12.437 -5.331 -17.324 1.00 50.34 C ATOM 1446 C PRO A 89 -12.785 -5.363 -18.816 1.00 1.22 C ATOM 1447 O PRO A 89 -11.912 -5.384 -19.659 1.00 21.34 O ATOM 1448 CB PRO A 89 -12.523 -3.910 -16.780 1.00 12.33 C ATOM 1449 CG PRO A 89 -11.133 -3.365 -16.882 1.00 63.01 C ATOM 1450 CD PRO A 89 -10.182 -4.535 -16.801 1.00 60.03 C ATOM 0 HA PRO A 89 -13.133 -6.014 -16.837 1.00 50.34 H new ATOM 0 HB2 PRO A 89 -13.225 -3.309 -17.358 1.00 12.33 H new ATOM 0 HB3 PRO A 89 -12.873 -3.904 -15.748 1.00 12.33 H new ATOM 0 HG2 PRO A 89 -11.000 -2.826 -17.820 1.00 63.01 H new ATOM 0 HG3 PRO A 89 -10.939 -2.656 -16.077 1.00 63.01 H new ATOM 0 HD2 PRO A 89 -9.364 -4.432 -17.514 1.00 60.03 H new ATOM 0 HD3 PRO A 89 -9.734 -4.616 -15.811 1.00 60.03 H new ATOM 1458 N PRO A 90 -14.064 -5.366 -19.084 1.00 54.24 N ATOM 1459 CA PRO A 90 -14.561 -5.393 -20.483 1.00 31.54 C ATOM 1460 C PRO A 90 -14.362 -4.034 -21.161 1.00 14.42 C ATOM 1461 O PRO A 90 -14.532 -3.897 -22.356 1.00 32.43 O ATOM 1462 CB PRO A 90 -16.048 -5.692 -20.326 1.00 4.11 C ATOM 1463 CG PRO A 90 -16.395 -5.202 -18.956 1.00 0.41 C ATOM 1464 CD PRO A 90 -15.159 -5.346 -18.109 1.00 73.31 C ATOM 0 HA PRO A 90 -14.037 -6.121 -21.102 1.00 31.54 H new ATOM 0 HB2 PRO A 90 -16.636 -5.182 -21.089 1.00 4.11 H new ATOM 0 HB3 PRO A 90 -16.250 -6.758 -20.427 1.00 4.11 H new ATOM 0 HG2 PRO A 90 -16.720 -4.162 -18.990 1.00 0.41 H new ATOM 0 HG3 PRO A 90 -17.219 -5.780 -18.537 1.00 0.41 H new ATOM 0 HD2 PRO A 90 -15.056 -4.517 -17.409 1.00 73.31 H new ATOM 0 HD3 PRO A 90 -15.184 -6.261 -17.518 1.00 73.31 H new ATOM 1472 N GLU A 91 -14.012 -3.027 -20.410 1.00 51.11 N ATOM 1473 CA GLU A 91 -13.814 -1.681 -21.016 1.00 74.43 C ATOM 1474 C GLU A 91 -12.575 -1.682 -21.909 1.00 13.35 C ATOM 1475 O GLU A 91 -12.666 -1.705 -23.120 1.00 63.33 O ATOM 1476 CB GLU A 91 -13.617 -0.737 -19.829 1.00 12.24 C ATOM 1477 CG GLU A 91 -14.959 -0.501 -19.135 1.00 65.32 C ATOM 1478 CD GLU A 91 -14.816 -0.783 -17.639 1.00 44.00 C ATOM 1479 OE1 GLU A 91 -14.057 -0.078 -16.994 1.00 63.10 O ATOM 1480 OE2 GLU A 91 -15.466 -1.700 -17.165 1.00 10.10 O ATOM 0 H GLU A 91 -13.855 -3.078 -19.404 1.00 51.11 H new ATOM 0 HA GLU A 91 -14.656 -1.381 -21.640 1.00 74.43 H new ATOM 0 HB2 GLU A 91 -12.902 -1.165 -19.126 1.00 12.24 H new ATOM 0 HB3 GLU A 91 -13.201 0.211 -20.170 1.00 12.24 H new ATOM 0 HG2 GLU A 91 -15.286 0.527 -19.293 1.00 65.32 H new ATOM 0 HG3 GLU A 91 -15.722 -1.148 -19.567 1.00 65.32 H new ATOM 1487 N ASP A 92 -11.418 -1.651 -21.314 1.00 55.32 N ATOM 1488 CA ASP A 92 -10.167 -1.644 -22.120 1.00 13.11 C ATOM 1489 C ASP A 92 -10.270 -0.605 -23.241 1.00 5.30 C ATOM 1490 O ASP A 92 -9.858 -0.840 -24.359 1.00 14.14 O ATOM 1491 CB ASP A 92 -10.053 -3.056 -22.698 1.00 42.13 C ATOM 1492 CG ASP A 92 -8.594 -3.344 -23.055 1.00 52.51 C ATOM 1493 OD1 ASP A 92 -8.189 -2.986 -24.149 1.00 61.14 O ATOM 1494 OD2 ASP A 92 -7.905 -3.914 -22.227 1.00 51.50 O ATOM 0 H ASP A 92 -11.284 -1.630 -20.303 1.00 55.32 H new ATOM 0 HA ASP A 92 -9.293 -1.382 -21.524 1.00 13.11 H new ATOM 0 HB2 ASP A 92 -10.413 -3.787 -21.974 1.00 42.13 H new ATOM 0 HB3 ASP A 92 -10.681 -3.150 -23.584 1.00 42.13 H new ATOM 1499 N LEU A 93 -10.822 0.540 -22.948 1.00 74.11 N ATOM 1500 CA LEU A 93 -10.962 1.601 -23.991 1.00 15.43 C ATOM 1501 C LEU A 93 -9.641 1.795 -24.743 1.00 72.33 C ATOM 1502 O LEU A 93 -8.604 1.323 -24.326 1.00 30.31 O ATOM 1503 CB LEU A 93 -11.329 2.866 -23.219 1.00 60.11 C ATOM 1504 CG LEU A 93 -12.721 2.701 -22.611 1.00 75.05 C ATOM 1505 CD1 LEU A 93 -12.942 3.773 -21.543 1.00 21.35 C ATOM 1506 CD2 LEU A 93 -13.774 2.848 -23.711 1.00 54.44 C ATOM 0 H LEU A 93 -11.184 0.790 -22.028 1.00 74.11 H new ATOM 0 HA LEU A 93 -11.712 1.344 -24.739 1.00 15.43 H new ATOM 0 HB2 LEU A 93 -10.596 3.052 -22.434 1.00 60.11 H new ATOM 0 HB3 LEU A 93 -11.310 3.730 -23.884 1.00 60.11 H new ATOM 0 HG LEU A 93 -12.806 1.715 -22.155 1.00 75.05 H new ATOM 0 HD11 LEU A 93 -13.935 3.655 -21.109 1.00 21.35 H new ATOM 0 HD12 LEU A 93 -12.190 3.668 -20.761 1.00 21.35 H new ATOM 0 HD13 LEU A 93 -12.859 4.761 -21.996 1.00 21.35 H new ATOM 0 HD21 LEU A 93 -14.769 2.731 -23.281 1.00 54.44 H new ATOM 0 HD22 LEU A 93 -13.690 3.835 -24.166 1.00 54.44 H new ATOM 0 HD23 LEU A 93 -13.615 2.083 -24.471 1.00 54.44 H new ATOM 1518 N LEU A 94 -9.676 2.486 -25.853 1.00 55.11 N ATOM 1519 CA LEU A 94 -8.418 2.701 -26.627 1.00 62.13 C ATOM 1520 C LEU A 94 -8.380 4.100 -27.266 1.00 0.22 C ATOM 1521 O LEU A 94 -7.409 4.471 -27.893 1.00 73.13 O ATOM 1522 CB LEU A 94 -8.445 1.628 -27.715 1.00 3.34 C ATOM 1523 CG LEU A 94 -9.592 1.910 -28.688 1.00 32.12 C ATOM 1524 CD1 LEU A 94 -9.126 1.645 -30.121 1.00 75.32 C ATOM 1525 CD2 LEU A 94 -10.774 0.999 -28.357 1.00 35.12 C ATOM 0 H LEU A 94 -10.514 2.907 -26.254 1.00 55.11 H new ATOM 0 HA LEU A 94 -7.539 2.634 -25.987 1.00 62.13 H new ATOM 0 HB2 LEU A 94 -7.496 1.615 -28.250 1.00 3.34 H new ATOM 0 HB3 LEU A 94 -8.571 0.643 -27.265 1.00 3.34 H new ATOM 0 HG LEU A 94 -9.899 2.952 -28.596 1.00 32.12 H new ATOM 0 HD11 LEU A 94 -9.944 1.846 -30.813 1.00 75.32 H new ATOM 0 HD12 LEU A 94 -8.284 2.296 -30.356 1.00 75.32 H new ATOM 0 HD13 LEU A 94 -8.818 0.604 -30.217 1.00 75.32 H new ATOM 0 HD21 LEU A 94 -11.592 1.198 -29.049 1.00 35.12 H new ATOM 0 HD22 LEU A 94 -10.467 -0.043 -28.449 1.00 35.12 H new ATOM 0 HD23 LEU A 94 -11.107 1.191 -27.337 1.00 35.12 H new ATOM 1537 N LYS A 95 -9.420 4.877 -27.124 1.00 74.42 N ATOM 1538 CA LYS A 95 -9.416 6.236 -27.740 1.00 45.21 C ATOM 1539 C LYS A 95 -8.693 7.233 -26.831 1.00 25.43 C ATOM 1540 O LYS A 95 -7.867 6.866 -26.021 1.00 43.45 O ATOM 1541 CB LYS A 95 -10.891 6.610 -27.883 1.00 43.24 C ATOM 1542 CG LYS A 95 -11.235 6.767 -29.367 1.00 13.22 C ATOM 1543 CD LYS A 95 -12.714 6.442 -29.587 1.00 33.45 C ATOM 1544 CE LYS A 95 -12.995 6.348 -31.089 1.00 22.32 C ATOM 1545 NZ LYS A 95 -14.460 6.584 -31.222 1.00 24.03 N ATOM 0 H LYS A 95 -10.267 4.632 -26.612 1.00 74.42 H new ATOM 0 HA LYS A 95 -8.896 6.251 -28.698 1.00 45.21 H new ATOM 0 HB2 LYS A 95 -11.518 5.840 -27.433 1.00 43.24 H new ATOM 0 HB3 LYS A 95 -11.095 7.539 -27.351 1.00 43.24 H new ATOM 0 HG2 LYS A 95 -11.023 7.785 -29.694 1.00 13.22 H new ATOM 0 HG3 LYS A 95 -10.613 6.103 -29.967 1.00 13.22 H new ATOM 0 HD2 LYS A 95 -12.968 5.501 -29.099 1.00 33.45 H new ATOM 0 HD3 LYS A 95 -13.338 7.214 -29.136 1.00 33.45 H new ATOM 0 HE2 LYS A 95 -12.423 7.091 -31.645 1.00 22.32 H new ATOM 0 HE3 LYS A 95 -12.715 5.371 -31.483 1.00 22.32 H new ATOM 0 HZ1 LYS A 95 -14.730 6.535 -32.225 1.00 24.03 H new ATOM 0 HZ2 LYS A 95 -14.979 5.858 -30.688 1.00 24.03 H new ATOM 0 HZ3 LYS A 95 -14.696 7.524 -30.846 1.00 24.03 H new ATOM 1559 N GLN A 96 -9.003 8.496 -26.960 1.00 43.43 N ATOM 1560 CA GLN A 96 -8.339 9.516 -26.105 1.00 25.11 C ATOM 1561 C GLN A 96 -6.817 9.415 -26.239 1.00 21.15 C ATOM 1562 O GLN A 96 -6.111 9.196 -25.275 1.00 43.13 O ATOM 1563 CB GLN A 96 -8.783 9.168 -24.688 1.00 20.13 C ATOM 1564 CG GLN A 96 -10.310 9.101 -24.634 1.00 20.23 C ATOM 1565 CD GLN A 96 -10.791 9.472 -23.231 1.00 61.15 C ATOM 1566 OE1 GLN A 96 -10.843 10.634 -22.881 1.00 65.11 O ATOM 1567 NE2 GLN A 96 -11.147 8.526 -22.405 1.00 14.11 N ATOM 0 H GLN A 96 -9.688 8.863 -27.621 1.00 43.43 H new ATOM 0 HA GLN A 96 -8.606 10.536 -26.383 1.00 25.11 H new ATOM 0 HB2 GLN A 96 -8.356 8.212 -24.386 1.00 20.13 H new ATOM 0 HB3 GLN A 96 -8.416 9.917 -23.986 1.00 20.13 H new ATOM 0 HG2 GLN A 96 -10.740 9.782 -25.369 1.00 20.23 H new ATOM 0 HG3 GLN A 96 -10.649 8.098 -24.892 1.00 20.23 H new ATOM 0 HE21 GLN A 96 -11.104 7.550 -22.698 1.00 14.11 H new ATOM 0 HE22 GLN A 96 -11.469 8.763 -21.466 1.00 14.11 H new ATOM 1576 N HIS A 97 -6.307 9.575 -27.430 1.00 3.43 N ATOM 1577 CA HIS A 97 -4.830 9.488 -27.629 1.00 71.42 C ATOM 1578 C HIS A 97 -4.273 10.851 -28.057 1.00 23.42 C ATOM 1579 O HIS A 97 -4.965 11.658 -28.645 1.00 11.22 O ATOM 1580 CB HIS A 97 -4.641 8.459 -28.744 1.00 75.42 C ATOM 1581 CG HIS A 97 -5.394 8.905 -29.968 1.00 3.22 C ATOM 1582 ND1 HIS A 97 -5.201 9.953 -30.832 1.00 13.44 N flip ATOM 1583 CD2 HIS A 97 -6.513 8.232 -30.434 1.00 30.11 C flip ATOM 1584 CE1 HIS A 97 -6.181 9.934 -31.820 1.00 60.54 C flip ATOM 1585 NE2 HIS A 97 -6.946 8.876 -31.533 1.00 22.34 N flip ATOM 0 H HIS A 97 -6.848 9.762 -28.274 1.00 3.43 H new ATOM 0 HA HIS A 97 -4.306 9.202 -26.717 1.00 71.42 H new ATOM 0 HB2 HIS A 97 -3.582 8.348 -28.976 1.00 75.42 H new ATOM 0 HB3 HIS A 97 -5.000 7.483 -28.418 1.00 75.42 H new ATOM 0 HD2 HIS A 97 -6.957 7.351 -29.995 1.00 30.11 H new ATOM 0 HE1 HIS A 97 -6.298 10.625 -32.642 1.00 60.54 H new ATOM 0 HE2 HIS A 97 -7.759 8.592 -32.080 1.00 22.34 H new ATOM 1593 N LEU A 98 -3.028 11.109 -27.768 1.00 53.20 N ATOM 1594 CA LEU A 98 -2.428 12.417 -28.163 1.00 72.41 C ATOM 1595 C LEU A 98 -0.975 12.217 -28.604 1.00 41.44 C ATOM 1596 O LEU A 98 -0.050 12.416 -27.841 1.00 2.04 O ATOM 1597 CB LEU A 98 -2.493 13.279 -26.901 1.00 34.34 C ATOM 1598 CG LEU A 98 -3.336 14.525 -27.178 1.00 0.53 C ATOM 1599 CD1 LEU A 98 -4.624 14.464 -26.353 1.00 10.44 C ATOM 1600 CD2 LEU A 98 -2.545 15.775 -26.791 1.00 45.24 C ATOM 0 H LEU A 98 -2.400 10.473 -27.276 1.00 53.20 H new ATOM 0 HA LEU A 98 -2.953 12.879 -28.999 1.00 72.41 H new ATOM 0 HB2 LEU A 98 -2.927 12.708 -26.080 1.00 34.34 H new ATOM 0 HB3 LEU A 98 -1.488 13.568 -26.593 1.00 34.34 H new ATOM 0 HG LEU A 98 -3.583 14.565 -28.239 1.00 0.53 H new ATOM 0 HD11 LEU A 98 -5.225 15.352 -26.550 1.00 10.44 H new ATOM 0 HD12 LEU A 98 -5.190 13.574 -26.628 1.00 10.44 H new ATOM 0 HD13 LEU A 98 -4.375 14.423 -25.293 1.00 10.44 H new ATOM 0 HD21 LEU A 98 -3.147 16.662 -26.989 1.00 45.24 H new ATOM 0 HD22 LEU A 98 -2.296 15.734 -25.731 1.00 45.24 H new ATOM 0 HD23 LEU A 98 -1.627 15.821 -27.377 1.00 45.24 H new ATOM 1612 N SER A 99 -0.769 11.823 -29.831 1.00 73.13 N ATOM 1613 CA SER A 99 0.624 11.609 -30.322 1.00 64.14 C ATOM 1614 C SER A 99 1.525 12.765 -29.879 1.00 62.30 C ATOM 1615 O SER A 99 1.057 13.806 -29.465 1.00 10.42 O ATOM 1616 CB SER A 99 0.508 11.576 -31.846 1.00 13.33 C ATOM 1617 OG SER A 99 -0.477 10.623 -32.221 1.00 24.00 O ATOM 0 H SER A 99 -1.503 11.640 -30.515 1.00 73.13 H new ATOM 0 HA SER A 99 1.064 10.693 -29.927 1.00 64.14 H new ATOM 0 HB2 SER A 99 0.238 12.562 -32.223 1.00 13.33 H new ATOM 0 HB3 SER A 99 1.469 11.317 -32.290 1.00 13.33 H new ATOM 0 HG SER A 99 -0.555 10.600 -33.198 1.00 24.00 H new ATOM 1623 N VAL A 100 2.814 12.587 -29.966 1.00 53.43 N ATOM 1624 CA VAL A 100 3.745 13.673 -29.553 1.00 74.41 C ATOM 1625 C VAL A 100 4.905 13.776 -30.547 1.00 40.33 C ATOM 1626 O VAL A 100 6.052 13.901 -30.167 1.00 12.42 O ATOM 1627 CB VAL A 100 4.255 13.259 -28.173 1.00 43.23 C ATOM 1628 CG1 VAL A 100 5.185 14.344 -27.628 1.00 63.00 C ATOM 1629 CG2 VAL A 100 3.070 13.080 -27.222 1.00 1.04 C ATOM 0 H VAL A 100 3.263 11.736 -30.305 1.00 53.43 H new ATOM 0 HA VAL A 100 3.258 14.648 -29.528 1.00 74.41 H new ATOM 0 HB VAL A 100 4.800 12.319 -28.255 1.00 43.23 H new ATOM 0 HG11 VAL A 100 5.549 14.050 -26.644 1.00 63.00 H new ATOM 0 HG12 VAL A 100 6.030 14.472 -28.304 1.00 63.00 H new ATOM 0 HG13 VAL A 100 4.639 15.284 -27.547 1.00 63.00 H new ATOM 0 HG21 VAL A 100 3.434 12.785 -26.238 1.00 1.04 H new ATOM 0 HG22 VAL A 100 2.524 14.020 -27.140 1.00 1.04 H new ATOM 0 HG23 VAL A 100 2.406 12.308 -27.610 1.00 1.04 H new ATOM 1639 N MET A 101 4.612 13.724 -31.818 1.00 40.33 N ATOM 1640 CA MET A 101 5.695 13.817 -32.838 1.00 13.52 C ATOM 1641 C MET A 101 5.225 14.652 -34.031 1.00 44.21 C ATOM 1642 O MET A 101 4.058 14.968 -34.160 1.00 31.22 O ATOM 1643 CB MET A 101 5.966 12.374 -33.266 1.00 72.31 C ATOM 1644 CG MET A 101 6.324 11.535 -32.039 1.00 2.13 C ATOM 1645 SD MET A 101 6.884 9.899 -32.572 1.00 44.43 S ATOM 1646 CE MET A 101 5.691 8.929 -31.619 1.00 41.04 C ATOM 0 H MET A 101 3.669 13.621 -32.194 1.00 40.33 H new ATOM 0 HA MET A 101 6.591 14.298 -32.446 1.00 13.52 H new ATOM 0 HB2 MET A 101 5.087 11.959 -33.759 1.00 72.31 H new ATOM 0 HB3 MET A 101 6.781 12.345 -33.989 1.00 72.31 H new ATOM 0 HG2 MET A 101 7.106 12.029 -31.462 1.00 2.13 H new ATOM 0 HG3 MET A 101 5.458 11.440 -31.385 1.00 2.13 H new ATOM 0 HE1 MET A 101 5.857 7.867 -31.801 1.00 41.04 H new ATOM 0 HE2 MET A 101 5.817 9.139 -30.557 1.00 41.04 H new ATOM 0 HE3 MET A 101 4.679 9.195 -31.924 1.00 41.04 H new ATOM 1656 N GLY A 102 6.124 15.010 -34.908 1.00 22.51 N ATOM 1657 CA GLY A 102 5.727 15.819 -36.094 1.00 21.33 C ATOM 1658 C GLY A 102 5.958 15.005 -37.368 1.00 13.21 C ATOM 1659 O GLY A 102 6.121 13.801 -37.324 1.00 30.12 O ATOM 0 H GLY A 102 7.116 14.777 -34.854 1.00 22.51 H new ATOM 0 HA2 GLY A 102 4.678 16.105 -36.018 1.00 21.33 H new ATOM 0 HA3 GLY A 102 6.307 16.741 -36.129 1.00 21.33 H new ATOM 1663 N GLN A 103 5.974 15.648 -38.502 1.00 0.52 N ATOM 1664 CA GLN A 103 6.194 14.905 -39.777 1.00 64.10 C ATOM 1665 C GLN A 103 7.281 15.590 -40.610 1.00 72.23 C ATOM 1666 O GLN A 103 7.808 16.619 -40.233 1.00 55.42 O ATOM 1667 CB GLN A 103 4.850 14.957 -40.504 1.00 41.22 C ATOM 1668 CG GLN A 103 4.670 13.684 -41.337 1.00 64.41 C ATOM 1669 CD GLN A 103 3.719 12.729 -40.611 1.00 25.31 C ATOM 1670 OE1 GLN A 103 4.060 11.594 -40.354 1.00 5.44 O ATOM 1671 NE2 GLN A 103 2.529 13.146 -40.270 1.00 32.21 N ATOM 0 H GLN A 103 5.845 16.655 -38.603 1.00 0.52 H new ATOM 0 HA GLN A 103 6.525 13.881 -39.605 1.00 64.10 H new ATOM 0 HB2 GLN A 103 4.038 15.050 -39.783 1.00 41.22 H new ATOM 0 HB3 GLN A 103 4.807 15.835 -41.148 1.00 41.22 H new ATOM 0 HG2 GLN A 103 4.271 13.933 -42.320 1.00 64.41 H new ATOM 0 HG3 GLN A 103 5.634 13.202 -41.497 1.00 64.41 H new ATOM 0 HE21 GLN A 103 2.242 14.101 -40.486 1.00 32.21 H new ATOM 0 HE22 GLN A 103 1.887 12.517 -39.788 1.00 32.21 H new ATOM 1680 N LYS A 104 7.621 15.028 -41.738 1.00 24.40 N ATOM 1681 CA LYS A 104 8.672 15.647 -42.595 1.00 44.43 C ATOM 1682 C LYS A 104 8.088 16.016 -43.962 1.00 74.11 C ATOM 1683 O LYS A 104 6.966 15.674 -44.280 1.00 42.12 O ATOM 1684 CB LYS A 104 9.750 14.571 -42.741 1.00 34.33 C ATOM 1685 CG LYS A 104 9.232 13.445 -43.635 1.00 61.35 C ATOM 1686 CD LYS A 104 9.924 12.133 -43.263 1.00 63.15 C ATOM 1687 CE LYS A 104 8.974 10.963 -43.523 1.00 70.34 C ATOM 1688 NZ LYS A 104 9.802 9.944 -44.227 1.00 25.31 N ATOM 0 H LYS A 104 7.216 14.166 -42.103 1.00 24.40 H new ATOM 0 HA LYS A 104 9.071 16.565 -42.163 1.00 44.43 H new ATOM 0 HB2 LYS A 104 10.654 15.003 -43.170 1.00 34.33 H new ATOM 0 HB3 LYS A 104 10.020 14.177 -41.761 1.00 34.33 H new ATOM 0 HG2 LYS A 104 8.153 13.344 -43.520 1.00 61.35 H new ATOM 0 HG3 LYS A 104 9.420 13.683 -44.682 1.00 61.35 H new ATOM 0 HD2 LYS A 104 10.836 12.012 -43.848 1.00 63.15 H new ATOM 0 HD3 LYS A 104 10.219 12.150 -42.214 1.00 63.15 H new ATOM 0 HE2 LYS A 104 8.570 10.568 -42.591 1.00 70.34 H new ATOM 0 HE3 LYS A 104 8.125 11.272 -44.133 1.00 70.34 H new ATOM 0 HZ1 LYS A 104 9.219 9.110 -44.440 1.00 25.31 H new ATOM 0 HZ2 LYS A 104 10.168 10.346 -45.114 1.00 25.31 H new ATOM 0 HZ3 LYS A 104 10.598 9.664 -43.620 1.00 25.31 H new ATOM 1702 N THR A 105 8.840 16.709 -44.774 1.00 15.12 N ATOM 1703 CA THR A 105 8.320 17.098 -46.116 1.00 11.14 C ATOM 1704 C THR A 105 9.305 16.681 -47.212 1.00 21.13 C ATOM 1705 O THR A 105 10.506 16.716 -47.028 1.00 42.54 O ATOM 1706 CB THR A 105 8.190 18.620 -46.065 1.00 34.44 C ATOM 1707 OG1 THR A 105 9.404 19.184 -45.590 1.00 13.13 O ATOM 1708 CG2 THR A 105 7.045 19.004 -45.127 1.00 73.53 C ATOM 0 H THR A 105 9.789 17.022 -44.567 1.00 15.12 H new ATOM 0 HA THR A 105 7.371 16.614 -46.344 1.00 11.14 H new ATOM 0 HB THR A 105 7.981 19.000 -47.065 1.00 34.44 H new ATOM 0 HG1 THR A 105 9.321 20.160 -45.559 1.00 13.13 H new ATOM 0 HG21 THR A 105 6.953 20.089 -45.091 1.00 73.53 H new ATOM 0 HG22 THR A 105 6.114 18.573 -45.494 1.00 73.53 H new ATOM 0 HG23 THR A 105 7.251 18.624 -44.126 1.00 73.53 H new ATOM 1716 N ASP A 106 8.804 16.290 -48.352 1.00 53.30 N ATOM 1717 CA ASP A 106 9.708 15.874 -49.462 1.00 41.15 C ATOM 1718 C ASP A 106 9.004 16.055 -50.809 1.00 51.35 C ATOM 1719 O ASP A 106 8.320 15.172 -51.286 1.00 10.23 O ATOM 1720 CB ASP A 106 10.000 14.396 -49.205 1.00 63.22 C ATOM 1721 CG ASP A 106 8.697 13.596 -49.276 1.00 21.45 C ATOM 1722 OD1 ASP A 106 7.658 14.173 -48.999 1.00 45.02 O ATOM 1723 OD2 ASP A 106 8.761 12.425 -49.608 1.00 31.21 O ATOM 0 H ASP A 106 7.807 16.241 -48.563 1.00 53.30 H new ATOM 0 HA ASP A 106 10.621 16.468 -49.496 1.00 41.15 H new ATOM 0 HB2 ASP A 106 10.709 14.021 -49.943 1.00 63.22 H new ATOM 0 HB3 ASP A 106 10.463 14.271 -48.226 1.00 63.22 H new ATOM 1728 N ASP A 107 9.167 17.194 -51.426 1.00 44.14 N ATOM 1729 CA ASP A 107 8.505 17.429 -52.740 1.00 32.45 C ATOM 1730 C ASP A 107 9.557 17.615 -53.838 1.00 61.04 C ATOM 1731 O ASP A 107 9.822 18.716 -54.277 1.00 5.21 O ATOM 1732 CB ASP A 107 7.693 18.711 -52.552 1.00 23.44 C ATOM 1733 CG ASP A 107 6.470 18.679 -53.471 1.00 74.15 C ATOM 1734 OD1 ASP A 107 6.645 18.874 -54.663 1.00 30.10 O ATOM 1735 OD2 ASP A 107 5.381 18.459 -52.970 1.00 50.53 O ATOM 0 H ASP A 107 9.729 17.970 -51.077 1.00 44.14 H new ATOM 0 HA ASP A 107 7.878 16.590 -53.041 1.00 32.45 H new ATOM 0 HB2 ASP A 107 7.378 18.806 -51.513 1.00 23.44 H new ATOM 0 HB3 ASP A 107 8.309 19.581 -52.779 1.00 23.44 H new ATOM 1740 N THR A 108 10.154 16.545 -54.284 1.00 64.43 N ATOM 1741 CA THR A 108 11.190 16.655 -55.354 1.00 4.30 C ATOM 1742 C THR A 108 11.716 15.263 -55.721 1.00 61.43 C ATOM 1743 O THR A 108 11.234 14.632 -56.639 1.00 61.25 O ATOM 1744 CB THR A 108 12.309 17.526 -54.765 1.00 0.01 C ATOM 1745 OG1 THR A 108 13.538 17.198 -55.399 1.00 13.22 O ATOM 1746 CG2 THR A 108 12.437 17.288 -53.257 1.00 32.44 C ATOM 0 H THR A 108 9.970 15.597 -53.955 1.00 64.43 H new ATOM 0 HA THR A 108 10.789 17.095 -56.267 1.00 4.30 H new ATOM 0 HB THR A 108 12.067 18.575 -54.935 1.00 0.01 H new ATOM 0 HG1 THR A 108 14.256 17.753 -55.028 1.00 13.22 H new ATOM 0 HG21 THR A 108 13.235 17.913 -52.856 1.00 32.44 H new ATOM 0 HG22 THR A 108 11.497 17.541 -52.768 1.00 32.44 H new ATOM 0 HG23 THR A 108 12.671 16.239 -53.073 1.00 32.44 H new ATOM 1754 N ASN A 109 12.701 14.780 -55.012 1.00 71.45 N ATOM 1755 CA ASN A 109 13.253 13.430 -55.325 1.00 23.43 C ATOM 1756 C ASN A 109 12.116 12.415 -55.471 1.00 60.34 C ATOM 1757 O ASN A 109 11.290 12.262 -54.594 1.00 72.32 O ATOM 1758 CB ASN A 109 14.135 13.078 -54.128 1.00 64.22 C ATOM 1759 CG ASN A 109 13.276 13.021 -52.864 1.00 74.13 C ATOM 1760 OD1 ASN A 109 13.155 14.087 -52.121 1.00 2.44 O flip ATOM 1761 ND2 ASN A 109 12.706 11.994 -52.549 1.00 53.20 N flip ATOM 0 H ASN A 109 13.147 15.261 -54.231 1.00 71.45 H new ATOM 0 HA ASN A 109 13.811 13.418 -56.261 1.00 23.43 H new ATOM 0 HB2 ASN A 109 14.624 12.118 -54.292 1.00 64.22 H new ATOM 0 HB3 ASN A 109 14.924 13.822 -54.012 1.00 64.22 H new ATOM 0 HD21 ASN A 109 12.800 11.160 -53.129 1.00 53.20 H new ATOM 0 HD22 ASN A 109 12.134 11.966 -51.705 1.00 53.20 H new ATOM 1768 N LYS A 110 12.067 11.720 -56.575 1.00 64.45 N ATOM 1769 CA LYS A 110 10.982 10.716 -56.776 1.00 32.14 C ATOM 1770 C LYS A 110 11.162 9.544 -55.810 1.00 50.41 C ATOM 1771 O LYS A 110 10.179 9.138 -55.210 1.00 13.33 O ATOM 1772 CB LYS A 110 11.140 10.246 -58.222 1.00 54.40 C ATOM 1773 CG LYS A 110 9.988 10.795 -59.066 1.00 73.31 C ATOM 1774 CD LYS A 110 10.532 11.810 -60.073 1.00 1.21 C ATOM 1775 CE LYS A 110 10.397 13.222 -59.501 1.00 15.11 C ATOM 1776 NZ LYS A 110 9.921 14.057 -60.640 1.00 61.44 N ATOM 0 H LYS A 110 12.730 11.803 -57.346 1.00 64.45 H new ATOM 0 HA LYS A 110 9.993 11.134 -56.589 1.00 32.14 H new ATOM 0 HB2 LYS A 110 12.094 10.587 -58.624 1.00 54.40 H new ATOM 0 HB3 LYS A 110 11.148 9.157 -58.263 1.00 54.40 H new ATOM 0 HG2 LYS A 110 9.486 9.981 -59.589 1.00 73.31 H new ATOM 0 HG3 LYS A 110 9.245 11.267 -58.423 1.00 73.31 H new ATOM 0 HD2 LYS A 110 11.577 11.594 -60.293 1.00 1.21 H new ATOM 0 HD3 LYS A 110 9.986 11.734 -61.013 1.00 1.21 H new ATOM 0 HE2 LYS A 110 9.690 13.246 -58.672 1.00 15.11 H new ATOM 0 HE3 LYS A 110 11.350 13.585 -59.117 1.00 15.11 H new ATOM 0 HZ1 LYS A 110 9.805 15.041 -60.324 1.00 61.44 H new ATOM 0 HZ2 LYS A 110 10.617 14.021 -61.412 1.00 61.44 H new ATOM 0 HZ3 LYS A 110 9.008 13.692 -60.980 1.00 61.44 H new TER 1790 LYS A 110