USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 86 THR OG1 : rot 180:sc= -0.466 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 138:sc= -3.61! (180deg=-7.79!) USER MOD Set 2.1: A 28 THR OG1 : rot -29:sc= 1.16 USER MOD Set 2.2: A 75 THR OG1 : rot -71:sc= 1.68 USER MOD Set 3.1: A 67 SER OG : rot 180:sc= -0.931 USER MOD Set 3.2: A 70 GLN : amide:sc= 1.73 K(o=0.8,f=-7.3!) USER MOD Set 4.1: A 61 HIS : no HE2:sc= -2.57 K(o=-1.7,f=-4.7!) USER MOD Set 4.2: A 63 GLN : amide:sc= 0.867 K(o=-1.7,f=-15!) USER MOD Set 5.1: A 57 LYS NZ :NH3+ -162:sc= -0.266 (180deg=-0.512) USER MOD Set 5.2: A 60 SER OG : rot -31:sc= -1.14! USER MOD Set 6.1: A 48 ASN : amide:sc= -0.367 K(o=0.24,f=-9.6!) USER MOD Set 6.2: A 52 SER OG : rot 129:sc= 0.602 USER MOD Set 7.1: A 33 ASN : amide:sc= -4.89! C(o=-13!,f=-15!) USER MOD Set 7.2: A 39 HIS : no HD1:sc= -1.86 K(o=-13,f=-26!) USER MOD Set 7.3: A 89 CYS SG : rot -174:sc= -4.18! USER MOD Set 7.4: A 92 HIS : no HE2:sc= -2.48 K(o=-13,f=-25!) USER MOD Set 8.1: A 20 LYS NZ :NH3+ 140:sc= 1.05 (180deg=-2.49!) USER MOD Set 8.2: A 22 THR OG1 : rot 180:sc= 0.759 USER MOD Set 9.1: A 9 SER OG : rot -160:sc= 0.37 USER MOD Set 9.2: A 35 LYS NZ :NH3+ -127:sc= 0.323! (180deg=0.208!) USER MOD Set10.1: A 4 THR OG1 : rot 66:sc= 0.599 USER MOD Set10.2: A 6 LYS NZ :NH3+ -148:sc= -2.66! (180deg=-6.9!) USER MOD Set11.1: A 1 GLU N :NH3+ -161:sc= -5.88! (180deg=-8.34!) USER MOD Set11.2: A 3 TYR OH : rot 52:sc= 2.08 USER MOD Set11.3: A 24 LYS NZ :NH3+ -136:sc= 1.42 (180deg=-2.54!) USER MOD Single : A 2 THR OG1 : rot -64:sc= -1.28 USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 0.0317 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.29! C(o=-3.3!,f=-5.6!) USER MOD Single : A 40 ASN : amide:sc= -4.73! C(o=-4.7!,f=-7.8!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 1.03 (180deg=0.426) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -131:sc= -0.397 (180deg=-2.77!) USER MOD Single : A 71 SER OG : rot 75:sc= 0.481 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 85 TYR OH : rot 75:sc= 1.2 USER MOD Single : A 88 TYR OH : rot -119:sc= 1.2 USER MOD Single : A 97 MET CE :methyl -163:sc= -0.0647 (180deg=-1) USER MOD Single : A 102 THR OG1 : rot -80:sc= 0.731 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.112 -6.090 -15.006 1.00 0.00 N ATOM 2 CA GLU A 1 -4.512 -5.285 -16.107 1.00 0.00 C ATOM 3 C GLU A 1 -3.929 -4.032 -15.407 1.00 0.00 C ATOM 4 O GLU A 1 -4.548 -3.641 -14.446 1.00 0.00 O ATOM 5 CB GLU A 1 -5.664 -4.969 -17.125 1.00 0.00 C ATOM 6 CG GLU A 1 -6.212 -6.336 -17.739 1.00 0.00 C ATOM 7 CD GLU A 1 -6.614 -7.324 -16.674 1.00 0.00 C ATOM 8 OE1 GLU A 1 -7.640 -7.135 -16.065 1.00 0.00 O ATOM 9 OE2 GLU A 1 -5.869 -8.243 -16.448 1.00 0.00 O ATOM 0 H1 GLU A 1 -5.236 -7.073 -15.323 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.483 -6.070 -14.178 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.037 -5.690 -14.748 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.719 -5.775 -16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.470 -4.432 -16.625 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -5.295 -4.321 -17.920 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.070 -6.126 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.444 -6.781 -18.372 1.00 0.00 H new ATOM 18 N THR A 2 -2.842 -3.395 -15.781 1.00 0.00 N ATOM 19 CA THR A 2 -2.383 -2.162 -14.999 1.00 0.00 C ATOM 20 C THR A 2 -3.483 -1.123 -14.716 1.00 0.00 C ATOM 21 O THR A 2 -3.820 -0.231 -15.464 1.00 0.00 O ATOM 22 CB THR A 2 -1.155 -1.542 -15.755 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.476 -0.908 -14.688 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.367 -0.412 -16.672 1.00 0.00 C ATOM 0 H THR A 2 -2.254 -3.655 -16.573 1.00 0.00 H new ATOM 0 HA THR A 2 -2.096 -2.489 -13.999 1.00 0.00 H new ATOM 0 HB THR A 2 -0.720 -2.343 -16.352 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.038 -0.194 -14.321 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.413 -0.112 -17.106 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.049 -0.712 -17.468 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.796 0.426 -16.123 1.00 0.00 H new ATOM 32 N TYR A 3 -4.056 -1.327 -13.560 1.00 0.00 N ATOM 33 CA TYR A 3 -5.155 -0.448 -13.049 1.00 0.00 C ATOM 34 C TYR A 3 -4.514 0.843 -12.505 1.00 0.00 C ATOM 35 O TYR A 3 -3.450 0.800 -11.917 1.00 0.00 O ATOM 36 CB TYR A 3 -5.912 -1.204 -11.919 1.00 0.00 C ATOM 37 CG TYR A 3 -6.416 -2.571 -12.395 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.545 -2.653 -13.178 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.753 -3.737 -12.052 1.00 0.00 C ATOM 40 CE1 TYR A 3 -8.009 -3.880 -13.614 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.226 -4.959 -12.492 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.347 -5.027 -13.270 1.00 0.00 C ATOM 43 OH TYR A 3 -7.789 -6.251 -13.703 1.00 0.00 O ATOM 0 H TYR A 3 -3.802 -2.087 -12.929 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.864 -0.197 -13.838 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.250 -1.337 -11.063 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.755 -0.603 -11.580 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.072 -1.752 -13.454 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.865 -3.692 -11.440 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.896 -3.933 -14.228 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.706 -5.866 -12.219 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.911 -6.229 -14.675 1.00 0.00 H new ATOM 53 N THR A 4 -5.173 1.945 -12.691 1.00 0.00 N ATOM 54 CA THR A 4 -4.608 3.253 -12.198 1.00 0.00 C ATOM 55 C THR A 4 -4.661 3.490 -10.681 1.00 0.00 C ATOM 56 O THR A 4 -5.372 4.317 -10.148 1.00 0.00 O ATOM 57 CB THR A 4 -5.345 4.396 -12.987 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.006 5.635 -12.388 1.00 0.00 O ATOM 59 CG2 THR A 4 -6.847 4.364 -12.851 1.00 0.00 C ATOM 0 H THR A 4 -6.076 2.011 -13.160 1.00 0.00 H new ATOM 0 HA THR A 4 -3.535 3.236 -12.392 1.00 0.00 H new ATOM 0 HB THR A 4 -5.050 4.267 -14.028 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.052 5.813 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.282 5.183 -13.424 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.227 3.415 -13.230 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.120 4.470 -11.801 1.00 0.00 H new ATOM 67 N VAL A 5 -3.857 2.736 -9.986 1.00 0.00 N ATOM 68 CA VAL A 5 -3.793 2.850 -8.485 1.00 0.00 C ATOM 69 C VAL A 5 -2.896 4.067 -8.132 1.00 0.00 C ATOM 70 O VAL A 5 -1.814 3.977 -7.581 1.00 0.00 O ATOM 71 CB VAL A 5 -3.207 1.519 -7.914 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.243 1.555 -6.373 1.00 0.00 C ATOM 73 CG2 VAL A 5 -4.084 0.334 -8.350 1.00 0.00 C ATOM 0 H VAL A 5 -3.233 2.037 -10.388 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.779 3.006 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.187 1.409 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.834 0.625 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.648 2.395 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.273 1.670 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.671 -0.591 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.097 0.473 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.107 0.279 -9.438 1.00 0.00 H new ATOM 83 N LYS A 6 -3.423 5.203 -8.505 1.00 0.00 N ATOM 84 CA LYS A 6 -2.761 6.533 -8.284 1.00 0.00 C ATOM 85 C LYS A 6 -2.128 6.651 -6.882 1.00 0.00 C ATOM 86 O LYS A 6 -2.506 5.954 -5.963 1.00 0.00 O ATOM 87 CB LYS A 6 -3.863 7.600 -8.534 1.00 0.00 C ATOM 88 CG LYS A 6 -4.230 7.567 -10.048 1.00 0.00 C ATOM 89 CD LYS A 6 -5.563 8.320 -10.328 1.00 0.00 C ATOM 90 CE LYS A 6 -6.753 7.605 -9.709 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.817 6.254 -10.321 1.00 0.00 N ATOM 0 H LYS A 6 -4.326 5.270 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.922 6.672 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.742 7.390 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.506 8.590 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.426 8.020 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.319 6.532 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.499 9.333 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.711 8.409 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.639 7.533 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.674 8.157 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.809 5.947 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.406 6.286 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.281 5.582 -9.736 1.00 0.00 H new ATOM 105 N LEU A 7 -1.198 7.540 -6.723 1.00 0.00 N ATOM 106 CA LEU A 7 -0.533 7.701 -5.387 1.00 0.00 C ATOM 107 C LEU A 7 -1.255 8.703 -4.459 1.00 0.00 C ATOM 108 O LEU A 7 -0.738 9.220 -3.487 1.00 0.00 O ATOM 109 CB LEU A 7 0.930 8.083 -5.747 1.00 0.00 C ATOM 110 CG LEU A 7 1.532 6.957 -6.641 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.894 7.364 -7.168 1.00 0.00 C ATOM 112 CD2 LEU A 7 1.735 5.707 -5.801 1.00 0.00 C ATOM 0 H LEU A 7 -0.862 8.167 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.569 6.793 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.953 9.037 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.523 8.204 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 7 0.846 6.778 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.297 6.565 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.797 8.272 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.568 7.548 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.156 4.916 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.418 5.927 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.777 5.380 -5.397 1.00 0.00 H new ATOM 124 N GLY A 8 -2.483 8.918 -4.836 1.00 0.00 N ATOM 125 CA GLY A 8 -3.426 9.837 -4.112 1.00 0.00 C ATOM 126 C GLY A 8 -3.525 11.332 -4.430 1.00 0.00 C ATOM 127 O GLY A 8 -2.762 11.961 -5.140 1.00 0.00 O ATOM 0 H GLY A 8 -2.897 8.475 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.426 9.424 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.185 9.759 -3.052 1.00 0.00 H new ATOM 131 N SER A 9 -4.560 11.813 -3.808 1.00 0.00 N ATOM 132 CA SER A 9 -5.060 13.232 -3.804 1.00 0.00 C ATOM 133 C SER A 9 -5.829 13.695 -5.041 1.00 0.00 C ATOM 134 O SER A 9 -5.909 14.865 -5.369 1.00 0.00 O ATOM 135 CB SER A 9 -3.828 14.115 -3.513 1.00 0.00 C ATOM 136 OG SER A 9 -4.325 15.458 -3.365 1.00 0.00 O ATOM 0 H SER A 9 -5.149 11.209 -3.235 1.00 0.00 H new ATOM 0 HA SER A 9 -5.831 13.316 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.318 13.786 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.105 14.055 -4.326 1.00 0.00 H new ATOM 0 HG SER A 9 -3.591 16.095 -3.495 1.00 0.00 H new ATOM 142 N ASP A 10 -6.390 12.744 -5.706 1.00 0.00 N ATOM 143 CA ASP A 10 -7.193 13.004 -6.929 1.00 0.00 C ATOM 144 C ASP A 10 -8.678 12.732 -6.491 1.00 0.00 C ATOM 145 O ASP A 10 -9.482 13.641 -6.411 1.00 0.00 O ATOM 146 CB ASP A 10 -6.532 12.037 -7.973 1.00 0.00 C ATOM 147 CG ASP A 10 -6.819 10.601 -7.665 1.00 0.00 C ATOM 148 OD1 ASP A 10 -6.452 10.188 -6.587 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.409 9.998 -8.523 1.00 0.00 O ATOM 0 H ASP A 10 -6.327 11.759 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.210 13.997 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.900 12.275 -8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.454 12.197 -7.984 1.00 0.00 H new ATOM 154 N LYS A 11 -8.986 11.499 -6.204 1.00 0.00 N ATOM 155 CA LYS A 11 -10.353 11.083 -5.761 1.00 0.00 C ATOM 156 C LYS A 11 -10.277 10.609 -4.254 1.00 0.00 C ATOM 157 O LYS A 11 -11.214 10.735 -3.471 1.00 0.00 O ATOM 158 CB LYS A 11 -10.812 9.931 -6.743 1.00 0.00 C ATOM 159 CG LYS A 11 -12.381 9.735 -6.805 1.00 0.00 C ATOM 160 CD LYS A 11 -12.889 9.826 -5.364 1.00 0.00 C ATOM 161 CE LYS A 11 -14.327 9.599 -5.083 1.00 0.00 C ATOM 162 NZ LYS A 11 -14.382 9.936 -3.619 1.00 0.00 N ATOM 0 H LYS A 11 -8.320 10.729 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.080 11.894 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.442 10.151 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.350 8.994 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.843 10.501 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.634 8.770 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.323 9.107 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.635 10.818 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.972 10.243 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.630 8.571 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.710 9.107 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.434 10.208 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.041 10.727 -3.469 1.00 0.00 H new ATOM 176 N GLY A 12 -9.141 10.063 -3.904 1.00 0.00 N ATOM 177 CA GLY A 12 -8.859 9.535 -2.511 1.00 0.00 C ATOM 178 C GLY A 12 -7.675 10.164 -1.757 1.00 0.00 C ATOM 179 O GLY A 12 -6.664 9.523 -1.586 1.00 0.00 O ATOM 0 H GLY A 12 -8.357 9.952 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.757 9.671 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.684 8.462 -2.584 1.00 0.00 H new ATOM 183 N LEU A 13 -7.814 11.389 -1.318 1.00 0.00 N ATOM 184 CA LEU A 13 -6.729 12.149 -0.547 1.00 0.00 C ATOM 185 C LEU A 13 -5.352 11.373 -0.479 1.00 0.00 C ATOM 186 O LEU A 13 -4.614 11.432 -1.434 1.00 0.00 O ATOM 187 CB LEU A 13 -7.382 12.414 0.843 1.00 0.00 C ATOM 188 CG LEU A 13 -6.903 13.719 1.504 1.00 0.00 C ATOM 189 CD1 LEU A 13 -7.528 13.767 2.896 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.396 13.751 1.675 1.00 0.00 C ATOM 0 H LEU A 13 -8.665 11.933 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.437 13.077 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.465 12.451 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.161 11.577 1.506 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.192 14.561 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.215 14.679 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.614 13.755 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.202 12.901 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.103 14.690 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.083 12.917 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.917 13.669 0.699 1.00 0.00 H new ATOM 202 N LEU A 14 -4.983 10.693 0.572 1.00 0.00 N ATOM 203 CA LEU A 14 -3.662 9.943 0.566 1.00 0.00 C ATOM 204 C LEU A 14 -3.852 8.402 0.643 1.00 0.00 C ATOM 205 O LEU A 14 -3.063 7.670 1.205 1.00 0.00 O ATOM 206 CB LEU A 14 -2.829 10.481 1.763 1.00 0.00 C ATOM 207 CG LEU A 14 -2.379 11.910 1.439 1.00 0.00 C ATOM 208 CD1 LEU A 14 -1.713 12.505 2.669 1.00 0.00 C ATOM 209 CD2 LEU A 14 -1.288 11.903 0.340 1.00 0.00 C ATOM 0 H LEU A 14 -5.523 10.615 1.434 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.141 10.116 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.425 10.469 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.964 9.842 1.940 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.255 12.473 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.388 13.522 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.423 12.520 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.849 11.900 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.982 12.927 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.426 11.332 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.686 11.445 -0.565 1.00 0.00 H new ATOM 221 N VAL A 15 -4.918 7.956 0.046 1.00 0.00 N ATOM 222 CA VAL A 15 -5.274 6.488 0.016 1.00 0.00 C ATOM 223 C VAL A 15 -5.222 5.918 -1.422 1.00 0.00 C ATOM 224 O VAL A 15 -5.974 5.043 -1.820 1.00 0.00 O ATOM 225 CB VAL A 15 -6.705 6.345 0.622 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.717 7.038 1.996 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.758 7.083 -0.221 1.00 0.00 C ATOM 0 H VAL A 15 -5.585 8.556 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.551 5.917 0.598 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.938 5.281 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.709 6.950 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.985 6.563 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.466 8.092 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.741 6.959 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.510 8.143 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.771 6.670 -1.230 1.00 0.00 H new ATOM 237 N PHE A 16 -4.288 6.454 -2.153 1.00 0.00 N ATOM 238 CA PHE A 16 -4.057 6.065 -3.581 1.00 0.00 C ATOM 239 C PHE A 16 -5.283 6.413 -4.435 1.00 0.00 C ATOM 240 O PHE A 16 -5.523 7.550 -4.774 1.00 0.00 O ATOM 241 CB PHE A 16 -3.670 4.524 -3.585 1.00 0.00 C ATOM 242 CG PHE A 16 -2.322 4.369 -2.873 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.248 4.312 -1.498 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.157 4.302 -3.605 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.032 4.190 -0.865 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.064 4.180 -2.974 1.00 0.00 C ATOM 247 CZ PHE A 16 0.126 4.124 -1.599 1.00 0.00 C ATOM 0 H PHE A 16 -3.650 7.172 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.238 6.623 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.437 3.938 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.606 4.151 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.153 4.364 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.200 4.345 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.989 4.146 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.971 4.128 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.080 4.029 -1.102 1.00 0.00 H new ATOM 257 N GLU A 17 -6.000 5.403 -4.744 1.00 0.00 N ATOM 258 CA GLU A 17 -7.252 5.526 -5.569 1.00 0.00 C ATOM 259 C GLU A 17 -8.555 5.169 -4.750 1.00 0.00 C ATOM 260 O GLU A 17 -9.140 6.058 -4.158 1.00 0.00 O ATOM 261 CB GLU A 17 -6.996 4.611 -6.784 1.00 0.00 C ATOM 262 CG GLU A 17 -8.059 4.957 -7.890 1.00 0.00 C ATOM 263 CD GLU A 17 -8.081 3.996 -9.065 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.552 2.914 -8.952 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.652 4.463 -10.030 1.00 0.00 O ATOM 0 H GLU A 17 -5.782 4.448 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.449 6.550 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.986 4.760 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.075 3.563 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.048 4.974 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.863 5.962 -8.263 1.00 0.00 H new ATOM 272 N PRO A 18 -9.008 3.930 -4.702 1.00 0.00 N ATOM 273 CA PRO A 18 -9.156 3.140 -3.448 1.00 0.00 C ATOM 274 C PRO A 18 -8.073 2.032 -3.168 1.00 0.00 C ATOM 275 O PRO A 18 -8.284 0.889 -3.508 1.00 0.00 O ATOM 276 CB PRO A 18 -10.560 2.620 -3.641 1.00 0.00 C ATOM 277 CG PRO A 18 -10.519 2.167 -5.146 1.00 0.00 C ATOM 278 CD PRO A 18 -9.526 3.134 -5.855 1.00 0.00 C ATOM 0 HA PRO A 18 -8.993 3.730 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.787 1.792 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.311 3.390 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.187 1.133 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.509 2.223 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.731 2.598 -6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.023 3.761 -6.596 1.00 0.00 H new ATOM 286 N ALA A 19 -6.969 2.395 -2.570 1.00 0.00 N ATOM 287 CA ALA A 19 -5.774 1.541 -2.178 1.00 0.00 C ATOM 288 C ALA A 19 -5.627 -0.012 -2.386 1.00 0.00 C ATOM 289 O ALA A 19 -4.514 -0.506 -2.438 1.00 0.00 O ATOM 290 CB ALA A 19 -5.552 1.915 -0.684 1.00 0.00 C ATOM 0 H ALA A 19 -6.826 3.369 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.037 1.788 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.705 1.353 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.349 2.983 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.447 1.671 -0.111 1.00 0.00 H new ATOM 296 N LYS A 20 -6.684 -0.761 -2.488 1.00 0.00 N ATOM 297 CA LYS A 20 -6.535 -2.263 -2.686 1.00 0.00 C ATOM 298 C LYS A 20 -6.878 -2.868 -4.085 1.00 0.00 C ATOM 299 O LYS A 20 -8.003 -2.886 -4.551 1.00 0.00 O ATOM 300 CB LYS A 20 -7.396 -2.992 -1.602 1.00 0.00 C ATOM 301 CG LYS A 20 -8.933 -2.767 -1.790 1.00 0.00 C ATOM 302 CD LYS A 20 -9.702 -4.136 -1.617 1.00 0.00 C ATOM 303 CE LYS A 20 -10.088 -4.790 -2.965 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.842 -5.108 -3.728 1.00 0.00 N ATOM 0 H LYS A 20 -7.645 -0.421 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.461 -2.428 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.184 -4.061 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.101 -2.639 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.295 -2.042 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.130 -2.351 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.078 -4.827 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.605 -3.967 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.665 -5.698 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.721 -4.116 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.947 -6.031 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.678 -4.374 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.034 -5.140 -3.075 1.00 0.00 H new ATOM 318 N LEU A 21 -5.888 -3.402 -4.736 1.00 0.00 N ATOM 319 CA LEU A 21 -6.076 -4.018 -6.094 1.00 0.00 C ATOM 320 C LEU A 21 -5.940 -5.556 -6.102 1.00 0.00 C ATOM 321 O LEU A 21 -4.910 -6.104 -5.799 1.00 0.00 O ATOM 322 CB LEU A 21 -5.029 -3.422 -7.035 1.00 0.00 C ATOM 323 CG LEU A 21 -5.347 -3.685 -8.563 1.00 0.00 C ATOM 324 CD1 LEU A 21 -5.609 -5.158 -8.890 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.657 -3.001 -8.935 1.00 0.00 C ATOM 0 H LEU A 21 -4.932 -3.443 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.094 -3.795 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.964 -2.348 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.052 -3.843 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.471 -3.319 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.820 -5.263 -9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.730 -5.749 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.464 -5.512 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.876 -3.182 -9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.464 -3.403 -8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.569 -1.928 -8.762 1.00 0.00 H new ATOM 337 N THR A 22 -6.961 -6.264 -6.462 1.00 0.00 N ATOM 338 CA THR A 22 -6.839 -7.771 -6.479 1.00 0.00 C ATOM 339 C THR A 22 -6.498 -8.144 -7.941 1.00 0.00 C ATOM 340 O THR A 22 -7.338 -8.585 -8.701 1.00 0.00 O ATOM 341 CB THR A 22 -8.188 -8.365 -6.022 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.430 -7.761 -4.744 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.039 -9.832 -5.650 1.00 0.00 C ATOM 0 H THR A 22 -7.867 -5.891 -6.744 1.00 0.00 H new ATOM 0 HA THR A 22 -6.070 -8.159 -5.811 1.00 0.00 H new ATOM 0 HB THR A 22 -8.935 -8.218 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.280 -8.089 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.004 -10.226 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.686 -10.393 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.321 -9.930 -4.836 1.00 0.00 H new ATOM 351 N ILE A 23 -5.253 -7.932 -8.311 1.00 0.00 N ATOM 352 CA ILE A 23 -4.824 -8.253 -9.722 1.00 0.00 C ATOM 353 C ILE A 23 -4.847 -9.752 -10.011 1.00 0.00 C ATOM 354 O ILE A 23 -5.030 -10.583 -9.138 1.00 0.00 O ATOM 355 CB ILE A 23 -3.339 -7.789 -10.083 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.278 -8.341 -9.141 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.148 -6.284 -10.362 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.931 -8.448 -9.949 1.00 0.00 C ATOM 0 H ILE A 23 -4.521 -7.556 -7.708 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.550 -7.702 -10.320 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.180 -8.260 -11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.155 -7.687 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.575 -9.318 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.102 -6.087 -10.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.770 -5.989 -11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.437 -5.711 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.148 -8.841 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.069 -9.117 -10.799 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.642 -7.460 -10.308 1.00 0.00 H new ATOM 370 N LYS A 24 -4.636 -10.075 -11.253 1.00 0.00 N ATOM 371 CA LYS A 24 -4.647 -11.515 -11.618 1.00 0.00 C ATOM 372 C LYS A 24 -3.205 -12.134 -11.657 1.00 0.00 C ATOM 373 O LYS A 24 -2.246 -11.409 -11.788 1.00 0.00 O ATOM 374 CB LYS A 24 -5.361 -11.635 -13.006 1.00 0.00 C ATOM 375 CG LYS A 24 -6.903 -11.756 -12.827 1.00 0.00 C ATOM 376 CD LYS A 24 -7.585 -10.430 -12.338 1.00 0.00 C ATOM 377 CE LYS A 24 -8.124 -9.585 -13.494 1.00 0.00 C ATOM 378 NZ LYS A 24 -7.008 -8.894 -14.172 1.00 0.00 N ATOM 0 H LYS A 24 -4.460 -9.421 -12.016 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.183 -12.084 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.129 -10.762 -13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.983 -12.507 -13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.348 -12.055 -13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.116 -12.550 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.402 -10.675 -11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.864 -9.843 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.655 -10.219 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.842 -8.855 -13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.274 -7.906 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.165 -8.916 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.798 -9.373 -15.071 1.00 0.00 H new ATOM 392 N PRO A 25 -3.053 -13.433 -11.546 1.00 0.00 N ATOM 393 CA PRO A 25 -1.720 -14.141 -11.601 1.00 0.00 C ATOM 394 C PRO A 25 -0.457 -13.509 -12.303 1.00 0.00 C ATOM 395 O PRO A 25 0.044 -14.079 -13.250 1.00 0.00 O ATOM 396 CB PRO A 25 -2.137 -15.540 -12.185 1.00 0.00 C ATOM 397 CG PRO A 25 -3.692 -15.461 -12.394 1.00 0.00 C ATOM 398 CD PRO A 25 -4.151 -14.422 -11.378 1.00 0.00 C ATOM 0 HA PRO A 25 -1.277 -14.115 -10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.624 -15.741 -13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.874 -16.346 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.943 -15.161 -13.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.167 -16.426 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.131 -14.007 -11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.208 -14.820 -10.365 1.00 0.00 H new ATOM 406 N GLY A 26 0.042 -12.368 -11.875 1.00 0.00 N ATOM 407 CA GLY A 26 1.268 -11.764 -12.552 1.00 0.00 C ATOM 408 C GLY A 26 1.024 -10.397 -13.177 1.00 0.00 C ATOM 409 O GLY A 26 1.934 -9.658 -13.496 1.00 0.00 O ATOM 0 H GLY A 26 -0.333 -11.826 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.069 -11.678 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.616 -12.448 -13.326 1.00 0.00 H new ATOM 413 N ASP A 27 -0.234 -10.130 -13.326 1.00 0.00 N ATOM 414 CA ASP A 27 -0.788 -8.875 -13.908 1.00 0.00 C ATOM 415 C ASP A 27 -0.057 -7.534 -13.484 1.00 0.00 C ATOM 416 O ASP A 27 0.798 -7.475 -12.617 1.00 0.00 O ATOM 417 CB ASP A 27 -2.306 -9.075 -13.500 1.00 0.00 C ATOM 418 CG ASP A 27 -3.289 -8.021 -13.873 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.937 -7.110 -14.577 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.418 -8.163 -13.434 1.00 0.00 O ATOM 0 H ASP A 27 -0.962 -10.786 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.642 -8.732 -14.979 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.645 -10.014 -13.938 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.345 -9.195 -12.417 1.00 0.00 H new ATOM 425 N THR A 28 -0.452 -6.491 -14.147 1.00 0.00 N ATOM 426 CA THR A 28 0.067 -5.103 -13.961 1.00 0.00 C ATOM 427 C THR A 28 -0.822 -4.148 -13.144 1.00 0.00 C ATOM 428 O THR A 28 -2.034 -4.234 -13.117 1.00 0.00 O ATOM 429 CB THR A 28 0.294 -4.487 -15.337 1.00 0.00 C ATOM 430 OG1 THR A 28 0.956 -5.428 -16.159 1.00 0.00 O ATOM 431 CG2 THR A 28 1.420 -3.468 -15.320 1.00 0.00 C ATOM 0 H THR A 28 -1.171 -6.548 -14.868 1.00 0.00 H new ATOM 0 HA THR A 28 0.980 -5.215 -13.377 1.00 0.00 H new ATOM 0 HB THR A 28 -0.685 -4.119 -15.644 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.511 -6.015 -15.603 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.550 -3.053 -16.319 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.175 -2.667 -14.623 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.344 -3.952 -15.006 1.00 0.00 H new ATOM 439 N VAL A 29 -0.131 -3.280 -12.463 1.00 0.00 N ATOM 440 CA VAL A 29 -0.657 -2.190 -11.576 1.00 0.00 C ATOM 441 C VAL A 29 -0.029 -0.768 -11.833 1.00 0.00 C ATOM 442 O VAL A 29 1.159 -0.725 -12.097 1.00 0.00 O ATOM 443 CB VAL A 29 -0.378 -2.616 -10.110 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.112 -2.556 -9.764 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.112 -1.686 -9.120 1.00 0.00 C ATOM 0 H VAL A 29 0.889 -3.284 -12.490 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.719 -2.077 -11.794 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.734 -3.642 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.258 -2.863 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.666 -3.226 -10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.475 -1.537 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.902 -2.003 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.767 -0.661 -9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.186 -1.736 -9.302 1.00 0.00 H new ATOM 455 N GLU A 30 -0.723 0.341 -11.770 1.00 0.00 N ATOM 456 CA GLU A 30 -0.060 1.668 -12.010 1.00 0.00 C ATOM 457 C GLU A 30 0.107 2.548 -10.744 1.00 0.00 C ATOM 458 O GLU A 30 -0.767 2.640 -9.908 1.00 0.00 O ATOM 459 CB GLU A 30 -0.880 2.464 -13.057 1.00 0.00 C ATOM 460 CG GLU A 30 -0.352 3.971 -13.115 1.00 0.00 C ATOM 461 CD GLU A 30 -1.303 4.923 -13.819 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.359 5.140 -13.250 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.905 5.375 -14.868 1.00 0.00 O ATOM 0 H GLU A 30 -1.721 0.389 -11.563 1.00 0.00 H new ATOM 0 HA GLU A 30 0.946 1.437 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.788 1.997 -14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.938 2.448 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.182 4.327 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.611 3.990 -13.625 1.00 0.00 H new ATOM 470 N PHE A 31 1.254 3.167 -10.669 1.00 0.00 N ATOM 471 CA PHE A 31 1.620 4.080 -9.532 1.00 0.00 C ATOM 472 C PHE A 31 1.727 5.542 -10.064 1.00 0.00 C ATOM 473 O PHE A 31 2.797 6.111 -10.176 1.00 0.00 O ATOM 474 CB PHE A 31 2.966 3.563 -8.963 1.00 0.00 C ATOM 475 CG PHE A 31 2.879 2.095 -8.505 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.724 1.549 -7.979 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.995 1.295 -8.619 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.690 0.233 -7.574 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.967 -0.024 -8.216 1.00 0.00 C ATOM 480 CZ PHE A 31 2.813 -0.556 -7.693 1.00 0.00 C ATOM 0 H PHE A 31 1.985 3.077 -11.375 1.00 0.00 H new ATOM 0 HA PHE A 31 0.869 4.084 -8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.741 3.659 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.266 4.187 -8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.839 2.160 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.905 1.707 -9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.781 -0.181 -7.162 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.851 -0.638 -8.311 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.787 -1.588 -7.377 1.00 0.00 H new ATOM 490 N LEU A 32 0.607 6.122 -10.391 1.00 0.00 N ATOM 491 CA LEU A 32 0.591 7.527 -10.918 1.00 0.00 C ATOM 492 C LEU A 32 0.781 8.606 -9.815 1.00 0.00 C ATOM 493 O LEU A 32 -0.004 8.745 -8.898 1.00 0.00 O ATOM 494 CB LEU A 32 -0.751 7.718 -11.643 1.00 0.00 C ATOM 495 CG LEU A 32 -0.649 8.682 -12.845 1.00 0.00 C ATOM 496 CD1 LEU A 32 -2.053 8.804 -13.423 1.00 0.00 C ATOM 497 CD2 LEU A 32 -0.181 10.086 -12.434 1.00 0.00 C ATOM 0 H LEU A 32 -0.311 5.683 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 32 1.437 7.662 -11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.113 6.750 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.489 8.101 -10.938 1.00 0.00 H new ATOM 0 HG LEU A 32 0.078 8.288 -13.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.037 9.478 -14.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.402 7.822 -13.741 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.726 9.200 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.126 10.724 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.888 10.511 -11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.804 10.020 -11.972 1.00 0.00 H new ATOM 509 N ASN A 33 1.837 9.356 -9.928 1.00 0.00 N ATOM 510 CA ASN A 33 2.127 10.442 -8.916 1.00 0.00 C ATOM 511 C ASN A 33 1.259 11.742 -9.001 1.00 0.00 C ATOM 512 O ASN A 33 1.768 12.808 -9.278 1.00 0.00 O ATOM 513 CB ASN A 33 3.624 10.772 -9.073 1.00 0.00 C ATOM 514 CG ASN A 33 4.078 11.632 -7.924 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.326 11.177 -6.838 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.208 12.896 -8.069 1.00 0.00 N ATOM 0 H ASN A 33 2.524 9.274 -10.677 1.00 0.00 H new ATOM 0 HA ASN A 33 1.859 10.053 -7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.208 9.852 -9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.795 11.290 -10.017 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.510 13.471 -7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.010 13.329 -8.971 1.00 0.00 H new ATOM 523 N ASN A 34 -0.021 11.625 -8.770 1.00 0.00 N ATOM 524 CA ASN A 34 -0.948 12.821 -8.816 1.00 0.00 C ATOM 525 C ASN A 34 -0.441 14.082 -8.019 1.00 0.00 C ATOM 526 O ASN A 34 0.036 15.026 -8.612 1.00 0.00 O ATOM 527 CB ASN A 34 -2.319 12.283 -8.300 1.00 0.00 C ATOM 528 CG ASN A 34 -2.866 11.273 -9.284 1.00 0.00 C ATOM 529 OD1 ASN A 34 -2.222 10.324 -9.655 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.049 11.398 -9.758 1.00 0.00 N ATOM 0 H ASN A 34 -0.482 10.743 -8.547 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.013 13.213 -9.831 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.195 11.822 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.023 13.107 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.408 10.710 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.632 12.185 -9.473 1.00 0.00 H new ATOM 537 N LYS A 35 -0.559 14.101 -6.717 1.00 0.00 N ATOM 538 CA LYS A 35 -0.076 15.287 -5.901 1.00 0.00 C ATOM 539 C LYS A 35 0.696 14.904 -4.597 1.00 0.00 C ATOM 540 O LYS A 35 0.893 13.746 -4.312 1.00 0.00 O ATOM 541 CB LYS A 35 -1.323 16.166 -5.573 1.00 0.00 C ATOM 542 CG LYS A 35 -1.759 16.978 -6.834 1.00 0.00 C ATOM 543 CD LYS A 35 -3.083 17.722 -6.505 1.00 0.00 C ATOM 544 CE LYS A 35 -4.215 16.710 -6.443 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.188 17.181 -5.416 1.00 0.00 N ATOM 0 H LYS A 35 -0.971 13.346 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 35 0.657 15.831 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.145 15.533 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.091 16.848 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.983 17.691 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.900 16.311 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.994 18.247 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.291 18.474 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.699 16.618 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.832 15.723 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.365 16.419 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.797 18.008 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.081 17.445 -5.879 1.00 0.00 H new ATOM 559 N VAL A 36 1.100 15.897 -3.844 1.00 0.00 N ATOM 560 CA VAL A 36 1.867 15.683 -2.544 1.00 0.00 C ATOM 561 C VAL A 36 2.919 14.511 -2.563 1.00 0.00 C ATOM 562 O VAL A 36 2.746 13.484 -1.939 1.00 0.00 O ATOM 563 CB VAL A 36 0.800 15.456 -1.420 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.470 15.405 -0.030 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.188 16.635 -1.375 1.00 0.00 C ATOM 0 H VAL A 36 0.933 16.878 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 36 2.478 16.569 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 36 0.294 14.517 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.710 15.247 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.189 14.586 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.985 16.346 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.924 16.463 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.355 17.557 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.696 16.721 -2.335 1.00 0.00 H new ATOM 575 N PRO A 37 3.993 14.710 -3.299 1.00 0.00 N ATOM 576 CA PRO A 37 5.180 13.787 -3.262 1.00 0.00 C ATOM 577 C PRO A 37 5.962 13.766 -1.897 1.00 0.00 C ATOM 578 O PRO A 37 5.630 14.483 -0.973 1.00 0.00 O ATOM 579 CB PRO A 37 5.995 14.289 -4.464 1.00 0.00 C ATOM 580 CG PRO A 37 5.709 15.807 -4.446 1.00 0.00 C ATOM 581 CD PRO A 37 4.192 15.845 -4.251 1.00 0.00 C ATOM 0 HA PRO A 37 4.909 12.733 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.058 14.074 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.672 13.826 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.237 16.312 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.013 16.290 -5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.854 16.794 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.653 15.697 -5.187 1.00 0.00 H new ATOM 589 N PRO A 38 6.980 12.939 -1.772 1.00 0.00 N ATOM 590 CA PRO A 38 7.385 11.869 -2.738 1.00 0.00 C ATOM 591 C PRO A 38 6.748 10.493 -2.397 1.00 0.00 C ATOM 592 O PRO A 38 6.868 9.991 -1.296 1.00 0.00 O ATOM 593 CB PRO A 38 8.901 11.937 -2.623 1.00 0.00 C ATOM 594 CG PRO A 38 9.087 12.088 -1.078 1.00 0.00 C ATOM 595 CD PRO A 38 7.909 12.999 -0.610 1.00 0.00 C ATOM 0 HA PRO A 38 7.041 12.006 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.383 11.039 -3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.317 12.782 -3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.056 11.118 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.051 12.538 -0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.444 12.625 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.239 14.017 -0.405 1.00 0.00 H new ATOM 603 N HIS A 39 6.086 9.878 -3.340 1.00 0.00 N ATOM 604 CA HIS A 39 5.453 8.541 -3.015 1.00 0.00 C ATOM 605 C HIS A 39 6.227 7.241 -3.383 1.00 0.00 C ATOM 606 O HIS A 39 5.807 6.443 -4.196 1.00 0.00 O ATOM 607 CB HIS A 39 4.048 8.493 -3.688 1.00 0.00 C ATOM 608 CG HIS A 39 3.057 9.579 -3.251 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.374 9.597 -2.106 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.727 10.675 -4.015 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.648 10.699 -2.207 1.00 0.00 C ATOM 612 NE2 HIS A 39 1.864 11.308 -3.310 1.00 0.00 N ATOM 0 H HIS A 39 5.952 10.218 -4.292 1.00 0.00 H new ATOM 0 HA HIS A 39 5.436 8.520 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.181 8.564 -4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.603 7.519 -3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.109 10.942 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.958 11.042 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.412 12.178 -3.590 1.00 0.00 H new ATOM 620 N ASN A 40 7.344 7.043 -2.745 1.00 0.00 N ATOM 621 CA ASN A 40 8.191 5.832 -3.003 1.00 0.00 C ATOM 622 C ASN A 40 7.637 4.608 -2.254 1.00 0.00 C ATOM 623 O ASN A 40 8.279 4.102 -1.354 1.00 0.00 O ATOM 624 CB ASN A 40 9.618 6.188 -2.534 1.00 0.00 C ATOM 625 CG ASN A 40 10.266 7.156 -3.475 1.00 0.00 C ATOM 626 OD1 ASN A 40 9.706 8.148 -3.888 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.468 6.902 -3.847 1.00 0.00 N ATOM 0 H ASN A 40 7.719 7.678 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 40 8.191 5.566 -4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.579 6.619 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.220 5.282 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.948 7.534 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.943 6.068 -3.502 1.00 0.00 H new ATOM 634 N VAL A 41 6.471 4.146 -2.619 1.00 0.00 N ATOM 635 CA VAL A 41 5.955 2.953 -1.862 1.00 0.00 C ATOM 636 C VAL A 41 6.910 1.755 -1.846 1.00 0.00 C ATOM 637 O VAL A 41 7.426 1.258 -2.838 1.00 0.00 O ATOM 638 CB VAL A 41 4.599 2.420 -2.415 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.470 3.375 -2.077 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.606 2.218 -3.926 1.00 0.00 C ATOM 0 H VAL A 41 5.877 4.512 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 41 5.840 3.347 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 41 4.448 1.452 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.532 2.984 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.393 3.478 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.673 4.350 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.633 1.846 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.812 3.168 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.377 1.496 -4.193 1.00 0.00 H new ATOM 650 N VAL A 42 7.106 1.318 -0.653 1.00 0.00 N ATOM 651 CA VAL A 42 7.989 0.167 -0.397 1.00 0.00 C ATOM 652 C VAL A 42 7.041 -1.046 -0.296 1.00 0.00 C ATOM 653 O VAL A 42 5.881 -0.909 0.034 1.00 0.00 O ATOM 654 CB VAL A 42 8.738 0.510 0.902 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.770 -0.560 1.245 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.491 1.853 0.739 1.00 0.00 C ATOM 0 H VAL A 42 6.680 1.720 0.182 1.00 0.00 H new ATOM 0 HA VAL A 42 8.738 -0.058 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 42 7.996 0.573 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.282 -0.289 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.270 -1.519 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.496 -0.637 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.019 2.089 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.208 1.771 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.777 2.646 0.517 1.00 0.00 H new ATOM 666 N PHE A 43 7.536 -2.211 -0.574 1.00 0.00 N ATOM 667 CA PHE A 43 6.682 -3.441 -0.507 1.00 0.00 C ATOM 668 C PHE A 43 6.964 -4.239 0.766 1.00 0.00 C ATOM 669 O PHE A 43 7.967 -4.024 1.418 1.00 0.00 O ATOM 670 CB PHE A 43 6.948 -4.256 -1.802 1.00 0.00 C ATOM 671 CG PHE A 43 5.892 -3.838 -2.837 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.810 -2.540 -3.295 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.994 -4.768 -3.312 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.849 -2.174 -4.213 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.029 -4.410 -4.229 1.00 0.00 C ATOM 676 CZ PHE A 43 3.957 -3.111 -4.680 1.00 0.00 C ATOM 0 H PHE A 43 8.504 -2.376 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 43 5.624 -3.183 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.952 -4.060 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.886 -5.326 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.508 -1.801 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.046 -5.788 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.797 -1.154 -4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.330 -5.148 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.202 -2.829 -5.399 1.00 0.00 H new ATOM 686 N ASP A 44 6.082 -5.126 1.085 1.00 0.00 N ATOM 687 CA ASP A 44 6.233 -5.961 2.312 1.00 0.00 C ATOM 688 C ASP A 44 6.745 -7.444 2.286 1.00 0.00 C ATOM 689 O ASP A 44 6.770 -8.200 1.332 1.00 0.00 O ATOM 690 CB ASP A 44 4.832 -5.835 2.947 1.00 0.00 C ATOM 691 CG ASP A 44 3.777 -6.561 2.139 1.00 0.00 C ATOM 692 OD1 ASP A 44 3.831 -6.554 0.924 1.00 0.00 O ATOM 693 OD2 ASP A 44 2.917 -7.101 2.791 1.00 0.00 O ATOM 0 H ASP A 44 5.241 -5.319 0.541 1.00 0.00 H new ATOM 0 HA ASP A 44 7.097 -5.576 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.855 -6.238 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.565 -4.782 3.030 1.00 0.00 H new ATOM 698 N ALA A 45 7.177 -7.768 3.470 1.00 0.00 N ATOM 699 CA ALA A 45 7.728 -9.094 3.839 1.00 0.00 C ATOM 700 C ALA A 45 6.797 -9.767 4.889 1.00 0.00 C ATOM 701 O ALA A 45 6.181 -10.793 4.690 1.00 0.00 O ATOM 702 CB ALA A 45 9.157 -8.826 4.381 1.00 0.00 C ATOM 0 H ALA A 45 7.167 -7.112 4.251 1.00 0.00 H new ATOM 0 HA ALA A 45 7.781 -9.784 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.619 -9.770 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.758 -8.352 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.100 -8.168 5.248 1.00 0.00 H new ATOM 708 N ALA A 46 6.709 -9.115 6.015 1.00 0.00 N ATOM 709 CA ALA A 46 5.872 -9.580 7.174 1.00 0.00 C ATOM 710 C ALA A 46 4.407 -9.935 6.793 1.00 0.00 C ATOM 711 O ALA A 46 3.855 -10.920 7.256 1.00 0.00 O ATOM 712 CB ALA A 46 5.951 -8.448 8.225 1.00 0.00 C ATOM 0 H ALA A 46 7.203 -8.240 6.192 1.00 0.00 H new ATOM 0 HA ALA A 46 6.259 -10.521 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.361 -8.722 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.989 -8.298 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.558 -7.526 7.797 1.00 0.00 H new ATOM 718 N LEU A 47 3.838 -9.123 5.949 1.00 0.00 N ATOM 719 CA LEU A 47 2.419 -9.339 5.494 1.00 0.00 C ATOM 720 C LEU A 47 2.264 -9.814 4.028 1.00 0.00 C ATOM 721 O LEU A 47 1.240 -9.637 3.405 1.00 0.00 O ATOM 722 CB LEU A 47 1.681 -7.998 5.737 1.00 0.00 C ATOM 723 CG LEU A 47 1.761 -7.566 7.215 1.00 0.00 C ATOM 724 CD1 LEU A 47 1.080 -6.210 7.338 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.973 -8.546 8.087 1.00 0.00 C ATOM 0 H LEU A 47 4.294 -8.305 5.544 1.00 0.00 H new ATOM 0 HA LEU A 47 1.990 -10.162 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.117 -7.223 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.636 -8.098 5.443 1.00 0.00 H new ATOM 0 HG LEU A 47 2.804 -7.535 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.120 -5.876 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.592 -5.487 6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.040 -6.295 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.034 -8.235 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.070 -8.556 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.394 -9.546 7.982 1.00 0.00 H new ATOM 737 N ASN A 48 3.308 -10.440 3.561 1.00 0.00 N ATOM 738 CA ASN A 48 3.333 -10.971 2.159 1.00 0.00 C ATOM 739 C ASN A 48 3.233 -12.533 2.122 1.00 0.00 C ATOM 740 O ASN A 48 3.724 -13.215 3.004 1.00 0.00 O ATOM 741 CB ASN A 48 4.661 -10.373 1.541 1.00 0.00 C ATOM 742 CG ASN A 48 5.500 -11.285 0.645 1.00 0.00 C ATOM 743 OD1 ASN A 48 5.155 -12.365 0.220 1.00 0.00 O ATOM 744 ND2 ASN A 48 6.667 -10.862 0.322 1.00 0.00 N ATOM 0 H ASN A 48 4.160 -10.611 4.095 1.00 0.00 H new ATOM 0 HA ASN A 48 2.470 -10.669 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.394 -9.488 0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.293 -10.037 2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.269 -11.431 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.993 -9.957 0.661 1.00 0.00 H new ATOM 751 N PRO A 49 2.600 -13.067 1.107 1.00 0.00 N ATOM 752 CA PRO A 49 2.283 -14.525 0.999 1.00 0.00 C ATOM 753 C PRO A 49 3.431 -15.497 1.336 1.00 0.00 C ATOM 754 O PRO A 49 3.271 -16.428 2.099 1.00 0.00 O ATOM 755 CB PRO A 49 1.764 -14.657 -0.448 1.00 0.00 C ATOM 756 CG PRO A 49 2.338 -13.398 -1.144 1.00 0.00 C ATOM 757 CD PRO A 49 2.136 -12.329 -0.093 1.00 0.00 C ATOM 0 HA PRO A 49 1.558 -14.827 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.116 -15.574 -0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.675 -14.677 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.390 -13.520 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.807 -13.166 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.727 -11.434 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.096 -12.013 -0.013 1.00 0.00 H new ATOM 765 N ALA A 50 4.564 -15.226 0.759 1.00 0.00 N ATOM 766 CA ALA A 50 5.772 -16.083 0.973 1.00 0.00 C ATOM 767 C ALA A 50 6.902 -15.413 1.801 1.00 0.00 C ATOM 768 O ALA A 50 8.066 -15.631 1.541 1.00 0.00 O ATOM 769 CB ALA A 50 6.216 -16.477 -0.456 1.00 0.00 C ATOM 0 H ALA A 50 4.712 -14.433 0.135 1.00 0.00 H new ATOM 0 HA ALA A 50 5.532 -16.949 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.101 -17.110 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.411 -17.021 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.449 -15.577 -1.026 1.00 0.00 H new ATOM 775 N LYS A 51 6.507 -14.629 2.771 1.00 0.00 N ATOM 776 CA LYS A 51 7.454 -13.883 3.696 1.00 0.00 C ATOM 777 C LYS A 51 8.950 -13.829 3.253 1.00 0.00 C ATOM 778 O LYS A 51 9.845 -14.301 3.928 1.00 0.00 O ATOM 779 CB LYS A 51 7.309 -14.555 5.110 1.00 0.00 C ATOM 780 CG LYS A 51 5.820 -14.700 5.547 1.00 0.00 C ATOM 781 CD LYS A 51 5.165 -13.300 5.476 1.00 0.00 C ATOM 782 CE LYS A 51 3.679 -13.314 5.721 1.00 0.00 C ATOM 783 NZ LYS A 51 3.516 -13.488 7.191 1.00 0.00 N ATOM 0 H LYS A 51 5.523 -14.460 2.979 1.00 0.00 H new ATOM 0 HA LYS A 51 7.165 -12.832 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.777 -15.539 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.846 -13.960 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.297 -15.399 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.757 -15.100 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.639 -12.649 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.358 -12.867 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.217 -12.386 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.199 -14.126 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.613 -13.966 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.299 -14.063 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.522 -12.557 7.654 1.00 0.00 H new ATOM 797 N SER A 52 9.158 -13.229 2.116 1.00 0.00 N ATOM 798 CA SER A 52 10.538 -13.091 1.528 1.00 0.00 C ATOM 799 C SER A 52 11.115 -11.648 1.513 1.00 0.00 C ATOM 800 O SER A 52 10.506 -10.709 1.993 1.00 0.00 O ATOM 801 CB SER A 52 10.434 -13.686 0.108 1.00 0.00 C ATOM 802 OG SER A 52 9.851 -12.676 -0.724 1.00 0.00 O ATOM 0 H SER A 52 8.418 -12.816 1.549 1.00 0.00 H new ATOM 0 HA SER A 52 11.254 -13.619 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.418 -13.972 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.820 -14.586 0.110 1.00 0.00 H new ATOM 0 HG SER A 52 10.406 -12.549 -1.522 1.00 0.00 H new ATOM 808 N ALA A 53 12.292 -11.500 0.962 1.00 0.00 N ATOM 809 CA ALA A 53 12.984 -10.157 0.875 1.00 0.00 C ATOM 810 C ALA A 53 13.161 -9.817 -0.626 1.00 0.00 C ATOM 811 O ALA A 53 12.777 -8.780 -1.128 1.00 0.00 O ATOM 812 CB ALA A 53 14.326 -10.314 1.631 1.00 0.00 C ATOM 0 H ALA A 53 12.825 -12.269 0.555 1.00 0.00 H new ATOM 0 HA ALA A 53 12.426 -9.337 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.873 -9.371 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.130 -10.588 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.922 -11.094 1.156 1.00 0.00 H new ATOM 818 N ASP A 54 13.775 -10.755 -1.264 1.00 0.00 N ATOM 819 CA ASP A 54 14.097 -10.775 -2.719 1.00 0.00 C ATOM 820 C ASP A 54 13.069 -9.961 -3.580 1.00 0.00 C ATOM 821 O ASP A 54 13.306 -8.846 -4.019 1.00 0.00 O ATOM 822 CB ASP A 54 14.172 -12.330 -2.968 1.00 0.00 C ATOM 823 CG ASP A 54 13.108 -13.026 -2.127 1.00 0.00 C ATOM 824 OD1 ASP A 54 11.984 -13.097 -2.575 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.488 -13.424 -1.043 1.00 0.00 O ATOM 0 H ASP A 54 14.101 -11.596 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 54 15.015 -10.269 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.018 -12.549 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.162 -12.705 -2.706 1.00 0.00 H new ATOM 830 N LEU A 55 11.924 -10.553 -3.784 1.00 0.00 N ATOM 831 CA LEU A 55 10.854 -9.888 -4.584 1.00 0.00 C ATOM 832 C LEU A 55 10.396 -8.658 -3.773 1.00 0.00 C ATOM 833 O LEU A 55 10.374 -7.569 -4.307 1.00 0.00 O ATOM 834 CB LEU A 55 9.682 -10.885 -4.806 1.00 0.00 C ATOM 835 CG LEU A 55 8.913 -10.528 -6.116 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.675 -11.397 -6.224 1.00 0.00 C ATOM 837 CD2 LEU A 55 8.444 -9.072 -6.164 1.00 0.00 C ATOM 0 H LEU A 55 11.681 -11.477 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 55 11.211 -9.578 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.067 -11.903 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.001 -10.853 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 55 9.613 -10.694 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.136 -11.150 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.968 -12.447 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.030 -11.220 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.917 -8.890 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.774 -8.878 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.307 -8.409 -6.099 1.00 0.00 H new ATOM 849 N ALA A 56 10.040 -8.836 -2.523 1.00 0.00 N ATOM 850 CA ALA A 56 9.586 -7.681 -1.661 1.00 0.00 C ATOM 851 C ALA A 56 10.343 -6.362 -2.046 1.00 0.00 C ATOM 852 O ALA A 56 9.743 -5.346 -2.349 1.00 0.00 O ATOM 853 CB ALA A 56 9.831 -8.115 -0.188 1.00 0.00 C ATOM 0 H ALA A 56 10.042 -9.741 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 56 8.530 -7.453 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.520 -7.315 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.254 -9.014 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.891 -8.320 -0.041 1.00 0.00 H new ATOM 859 N LYS A 57 11.652 -6.389 -2.051 1.00 0.00 N ATOM 860 CA LYS A 57 12.398 -5.140 -2.425 1.00 0.00 C ATOM 861 C LYS A 57 12.387 -5.012 -3.958 1.00 0.00 C ATOM 862 O LYS A 57 12.215 -3.916 -4.456 1.00 0.00 O ATOM 863 CB LYS A 57 13.865 -5.197 -1.906 1.00 0.00 C ATOM 864 CG LYS A 57 14.346 -3.726 -1.556 1.00 0.00 C ATOM 865 CD LYS A 57 15.292 -2.998 -2.608 1.00 0.00 C ATOM 866 CE LYS A 57 14.715 -2.530 -3.975 1.00 0.00 C ATOM 867 NZ LYS A 57 13.506 -1.688 -3.761 1.00 0.00 N ATOM 0 H LYS A 57 12.228 -7.198 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 57 11.915 -4.276 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.928 -5.834 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.515 -5.636 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.461 -3.107 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.868 -3.760 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.711 -2.121 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.122 -3.672 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.469 -1.964 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.461 -3.396 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.960 -1.634 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.917 -2.110 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.796 -0.731 -3.474 1.00 0.00 H new ATOM 881 N SER A 58 12.582 -6.083 -4.681 1.00 0.00 N ATOM 882 CA SER A 58 12.560 -5.999 -6.196 1.00 0.00 C ATOM 883 C SER A 58 11.330 -5.196 -6.669 1.00 0.00 C ATOM 884 O SER A 58 11.394 -4.493 -7.654 1.00 0.00 O ATOM 885 CB SER A 58 12.478 -7.391 -6.802 1.00 0.00 C ATOM 886 OG SER A 58 12.527 -7.161 -8.211 1.00 0.00 O ATOM 0 H SER A 58 12.756 -7.014 -4.303 1.00 0.00 H new ATOM 0 HA SER A 58 13.477 -5.505 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.305 -8.019 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.558 -7.898 -6.513 1.00 0.00 H new ATOM 0 HG SER A 58 12.480 -8.018 -8.684 1.00 0.00 H new ATOM 892 N LEU A 59 10.262 -5.359 -5.933 1.00 0.00 N ATOM 893 CA LEU A 59 8.965 -4.664 -6.209 1.00 0.00 C ATOM 894 C LEU A 59 9.017 -3.264 -5.506 1.00 0.00 C ATOM 895 O LEU A 59 8.752 -2.252 -6.119 1.00 0.00 O ATOM 896 CB LEU A 59 7.814 -5.543 -5.641 1.00 0.00 C ATOM 897 CG LEU A 59 6.503 -5.385 -6.466 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.223 -3.929 -6.826 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.616 -6.166 -7.777 1.00 0.00 C ATOM 0 H LEU A 59 10.234 -5.971 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 59 8.794 -4.519 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.121 -6.589 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.625 -5.268 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 59 5.693 -5.764 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.299 -3.868 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.122 -3.341 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.047 -3.536 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.695 -6.051 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.455 -5.782 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.778 -7.222 -7.559 1.00 0.00 H new ATOM 911 N SER A 60 9.336 -3.197 -4.228 1.00 0.00 N ATOM 912 CA SER A 60 9.418 -1.850 -3.512 1.00 0.00 C ATOM 913 C SER A 60 10.230 -0.830 -4.362 1.00 0.00 C ATOM 914 O SER A 60 11.261 -1.185 -4.905 1.00 0.00 O ATOM 915 CB SER A 60 10.137 -2.016 -2.154 1.00 0.00 C ATOM 916 OG SER A 60 11.470 -2.293 -2.538 1.00 0.00 O ATOM 0 H SER A 60 9.544 -4.006 -3.643 1.00 0.00 H new ATOM 0 HA SER A 60 8.401 -1.486 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.070 -1.113 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.708 -2.827 -1.566 1.00 0.00 H new ATOM 0 HG SER A 60 11.471 -2.776 -3.391 1.00 0.00 H new ATOM 922 N HIS A 61 9.780 0.388 -4.449 1.00 0.00 N ATOM 923 CA HIS A 61 10.531 1.410 -5.267 1.00 0.00 C ATOM 924 C HIS A 61 12.062 1.643 -5.006 1.00 0.00 C ATOM 925 O HIS A 61 12.717 1.050 -4.162 1.00 0.00 O ATOM 926 CB HIS A 61 9.736 2.748 -5.108 1.00 0.00 C ATOM 927 CG HIS A 61 8.440 2.626 -5.890 1.00 0.00 C ATOM 928 ND1 HIS A 61 7.409 1.961 -5.517 1.00 0.00 N ATOM 929 CD2 HIS A 61 8.082 3.144 -7.110 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.479 2.044 -6.422 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.859 2.777 -7.433 1.00 0.00 N ATOM 0 H HIS A 61 8.932 0.730 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 61 10.570 1.003 -6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.528 2.944 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.326 3.587 -5.478 1.00 0.00 H new ATOM 0 HD1 HIS A 61 7.330 1.444 -4.641 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.717 3.768 -7.722 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.513 1.566 -6.347 1.00 0.00 H new ATOM 939 N LYS A 62 12.580 2.522 -5.815 1.00 0.00 N ATOM 940 CA LYS A 62 14.025 2.953 -5.779 1.00 0.00 C ATOM 941 C LYS A 62 14.102 4.413 -6.282 1.00 0.00 C ATOM 942 O LYS A 62 14.823 5.255 -5.773 1.00 0.00 O ATOM 943 CB LYS A 62 14.891 2.062 -6.712 1.00 0.00 C ATOM 944 CG LYS A 62 16.376 1.955 -6.198 1.00 0.00 C ATOM 945 CD LYS A 62 16.891 3.391 -5.897 1.00 0.00 C ATOM 946 CE LYS A 62 18.331 3.503 -5.499 1.00 0.00 C ATOM 947 NZ LYS A 62 18.457 4.948 -5.112 1.00 0.00 N ATOM 0 H LYS A 62 12.038 2.989 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 62 14.401 2.862 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.454 1.065 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.883 2.475 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.424 1.338 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.004 1.475 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.731 4.006 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.280 3.815 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.574 2.839 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.999 3.244 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.434 5.143 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.218 5.548 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.807 5.155 -4.327 1.00 0.00 H new ATOM 961 N GLN A 63 13.337 4.616 -7.310 1.00 0.00 N ATOM 962 CA GLN A 63 13.232 5.939 -7.977 1.00 0.00 C ATOM 963 C GLN A 63 12.237 6.808 -7.151 1.00 0.00 C ATOM 964 O GLN A 63 11.555 6.281 -6.299 1.00 0.00 O ATOM 965 CB GLN A 63 12.715 5.714 -9.450 1.00 0.00 C ATOM 966 CG GLN A 63 11.143 5.387 -9.539 1.00 0.00 C ATOM 967 CD GLN A 63 10.728 3.975 -9.116 1.00 0.00 C ATOM 968 OE1 GLN A 63 11.147 3.432 -8.124 1.00 0.00 O ATOM 969 NE2 GLN A 63 9.887 3.292 -9.808 1.00 0.00 N ATOM 0 H GLN A 63 12.757 3.891 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 63 14.194 6.450 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.926 6.606 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.274 4.894 -9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.607 6.104 -8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.816 5.549 -10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.489 3.686 -10.661 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.618 2.356 -9.504 1.00 0.00 H new ATOM 978 N LEU A 64 12.141 8.086 -7.394 1.00 0.00 N ATOM 979 CA LEU A 64 11.180 8.921 -6.588 1.00 0.00 C ATOM 980 C LEU A 64 9.863 9.334 -7.291 1.00 0.00 C ATOM 981 O LEU A 64 9.834 9.664 -8.461 1.00 0.00 O ATOM 982 CB LEU A 64 11.937 10.201 -6.122 1.00 0.00 C ATOM 983 CG LEU A 64 13.169 9.904 -5.242 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.392 9.532 -6.086 1.00 0.00 C ATOM 985 CD2 LEU A 64 13.519 11.180 -4.477 1.00 0.00 C ATOM 0 H LEU A 64 12.674 8.590 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 64 10.854 8.284 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.255 10.765 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.249 10.838 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 64 12.926 9.071 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.239 9.330 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.170 8.643 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.639 10.358 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.389 10.999 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.745 11.978 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.674 11.475 -3.855 1.00 0.00 H new ATOM 997 N LEU A 65 8.784 9.316 -6.556 1.00 0.00 N ATOM 998 CA LEU A 65 7.454 9.705 -7.148 1.00 0.00 C ATOM 999 C LEU A 65 7.264 11.195 -6.798 1.00 0.00 C ATOM 1000 O LEU A 65 6.736 11.549 -5.763 1.00 0.00 O ATOM 1001 CB LEU A 65 6.381 8.785 -6.510 1.00 0.00 C ATOM 1002 CG LEU A 65 6.356 7.348 -7.073 1.00 0.00 C ATOM 1003 CD1 LEU A 65 5.987 7.369 -8.547 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.717 6.675 -6.962 1.00 0.00 C ATOM 0 H LEU A 65 8.757 9.050 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 65 7.383 9.585 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.553 8.738 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.400 9.236 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 65 5.622 6.795 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.973 6.350 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.001 7.817 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.723 7.955 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.658 5.665 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.454 7.250 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.015 6.627 -5.915 1.00 0.00 H new ATOM 1016 N MET A 66 7.736 12.014 -7.698 1.00 0.00 N ATOM 1017 CA MET A 66 7.669 13.512 -7.546 1.00 0.00 C ATOM 1018 C MET A 66 6.794 14.347 -8.516 1.00 0.00 C ATOM 1019 O MET A 66 6.317 15.401 -8.147 1.00 0.00 O ATOM 1020 CB MET A 66 9.129 14.024 -7.613 1.00 0.00 C ATOM 1021 CG MET A 66 10.015 13.322 -6.567 1.00 0.00 C ATOM 1022 SD MET A 66 11.741 13.857 -6.512 1.00 0.00 S ATOM 1023 CE MET A 66 12.279 13.192 -8.109 1.00 0.00 C ATOM 0 H MET A 66 8.181 11.705 -8.562 1.00 0.00 H new ATOM 0 HA MET A 66 7.149 13.665 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.533 13.850 -8.611 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.147 15.101 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.575 13.478 -5.582 1.00 0.00 H new ATOM 0 HG3 MET A 66 9.993 12.250 -6.760 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.204 12.630 -7.976 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.508 12.533 -8.507 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.450 14.013 -8.806 1.00 0.00 H new ATOM 1033 N SER A 67 6.585 13.876 -9.712 1.00 0.00 N ATOM 1034 CA SER A 67 5.754 14.643 -10.730 1.00 0.00 C ATOM 1035 C SER A 67 4.317 14.172 -11.068 1.00 0.00 C ATOM 1036 O SER A 67 4.127 13.159 -11.709 1.00 0.00 O ATOM 1037 CB SER A 67 6.573 14.705 -12.042 1.00 0.00 C ATOM 1038 OG SER A 67 6.980 13.364 -12.309 1.00 0.00 O ATOM 0 H SER A 67 6.951 12.985 -10.048 1.00 0.00 H new ATOM 0 HA SER A 67 5.570 15.598 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.972 15.102 -12.860 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.436 15.362 -11.934 1.00 0.00 H new ATOM 0 HG SER A 67 7.505 13.340 -13.136 1.00 0.00 H new ATOM 1044 N PRO A 68 3.326 14.913 -10.625 1.00 0.00 N ATOM 1045 CA PRO A 68 2.021 15.079 -11.339 1.00 0.00 C ATOM 1046 C PRO A 68 1.970 14.642 -12.831 1.00 0.00 C ATOM 1047 O PRO A 68 2.209 15.405 -13.745 1.00 0.00 O ATOM 1048 CB PRO A 68 1.712 16.584 -11.063 1.00 0.00 C ATOM 1049 CG PRO A 68 2.764 17.032 -9.977 1.00 0.00 C ATOM 1050 CD PRO A 68 3.298 15.725 -9.385 1.00 0.00 C ATOM 0 HA PRO A 68 1.255 14.395 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.807 17.178 -11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.692 16.716 -10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.566 17.621 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.301 17.653 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.283 15.838 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.641 15.308 -8.621 1.00 0.00 H new ATOM 1058 N GLY A 69 1.653 13.391 -13.023 1.00 0.00 N ATOM 1059 CA GLY A 69 1.560 12.785 -14.413 1.00 0.00 C ATOM 1060 C GLY A 69 2.323 11.466 -14.510 1.00 0.00 C ATOM 1061 O GLY A 69 1.932 10.560 -15.208 1.00 0.00 O ATOM 0 H GLY A 69 1.447 12.737 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.513 12.619 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.958 13.489 -15.144 1.00 0.00 H new ATOM 1065 N GLN A 70 3.405 11.412 -13.797 1.00 0.00 N ATOM 1066 CA GLN A 70 4.322 10.224 -13.724 1.00 0.00 C ATOM 1067 C GLN A 70 3.615 8.829 -13.583 1.00 0.00 C ATOM 1068 O GLN A 70 3.539 8.256 -12.511 1.00 0.00 O ATOM 1069 CB GLN A 70 5.257 10.617 -12.553 1.00 0.00 C ATOM 1070 CG GLN A 70 6.349 9.565 -12.204 1.00 0.00 C ATOM 1071 CD GLN A 70 7.287 10.073 -11.103 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.137 11.117 -10.503 1.00 0.00 O ATOM 1073 NE2 GLN A 70 8.297 9.346 -10.791 1.00 0.00 N ATOM 0 H GLN A 70 3.718 12.193 -13.220 1.00 0.00 H new ATOM 0 HA GLN A 70 4.856 10.042 -14.656 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.747 11.559 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.649 10.796 -11.666 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.874 8.639 -11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.928 9.330 -13.097 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.457 8.461 -11.273 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.940 9.653 -10.061 1.00 0.00 H new ATOM 1082 N SER A 71 3.116 8.330 -14.675 1.00 0.00 N ATOM 1083 CA SER A 71 2.400 6.997 -14.745 1.00 0.00 C ATOM 1084 C SER A 71 3.388 5.806 -14.755 1.00 0.00 C ATOM 1085 O SER A 71 3.558 5.067 -15.708 1.00 0.00 O ATOM 1086 CB SER A 71 1.562 6.994 -16.023 1.00 0.00 C ATOM 1087 OG SER A 71 2.571 7.172 -17.023 1.00 0.00 O ATOM 0 H SER A 71 3.171 8.806 -15.575 1.00 0.00 H new ATOM 0 HA SER A 71 1.775 6.877 -13.860 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.015 6.060 -16.153 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.827 7.798 -16.034 1.00 0.00 H new ATOM 0 HG SER A 71 3.064 6.333 -17.143 1.00 0.00 H new ATOM 1093 N THR A 72 4.041 5.631 -13.644 1.00 0.00 N ATOM 1094 CA THR A 72 5.048 4.507 -13.508 1.00 0.00 C ATOM 1095 C THR A 72 4.446 3.190 -12.973 1.00 0.00 C ATOM 1096 O THR A 72 4.427 2.902 -11.796 1.00 0.00 O ATOM 1097 CB THR A 72 6.193 5.029 -12.591 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.035 3.926 -12.328 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.789 5.402 -11.194 1.00 0.00 C ATOM 0 H THR A 72 3.931 6.212 -12.813 1.00 0.00 H new ATOM 0 HA THR A 72 5.422 4.245 -14.498 1.00 0.00 H new ATOM 0 HB THR A 72 6.600 5.893 -13.117 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.775 4.210 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.662 5.752 -10.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.042 6.195 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.369 4.531 -10.692 1.00 0.00 H new ATOM 1107 N SER A 73 3.946 2.395 -13.877 1.00 0.00 N ATOM 1108 CA SER A 73 3.317 1.066 -13.493 1.00 0.00 C ATOM 1109 C SER A 73 4.263 -0.144 -13.451 1.00 0.00 C ATOM 1110 O SER A 73 5.346 -0.131 -13.996 1.00 0.00 O ATOM 1111 CB SER A 73 2.205 0.754 -14.486 1.00 0.00 C ATOM 1112 OG SER A 73 2.892 0.611 -15.729 1.00 0.00 O ATOM 0 H SER A 73 3.938 2.596 -14.877 1.00 0.00 H new ATOM 0 HA SER A 73 2.968 1.203 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.671 -0.157 -14.216 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.467 1.555 -14.526 1.00 0.00 H new ATOM 0 HG SER A 73 2.247 0.404 -16.437 1.00 0.00 H new ATOM 1118 N THR A 74 3.825 -1.186 -12.805 1.00 0.00 N ATOM 1119 CA THR A 74 4.653 -2.449 -12.680 1.00 0.00 C ATOM 1120 C THR A 74 3.829 -3.740 -12.713 1.00 0.00 C ATOM 1121 O THR A 74 2.654 -3.726 -12.418 1.00 0.00 O ATOM 1122 CB THR A 74 5.440 -2.361 -11.362 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.383 -1.333 -11.596 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.416 -3.492 -11.134 1.00 0.00 C ATOM 0 H THR A 74 2.915 -1.231 -12.346 1.00 0.00 H new ATOM 0 HA THR A 74 5.312 -2.504 -13.547 1.00 0.00 H new ATOM 0 HB THR A 74 4.704 -2.289 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.934 -1.206 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.925 -3.347 -10.181 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.877 -4.439 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.150 -3.507 -11.939 1.00 0.00 H new ATOM 1132 N THR A 75 4.442 -4.829 -13.084 1.00 0.00 N ATOM 1133 CA THR A 75 3.709 -6.159 -13.136 1.00 0.00 C ATOM 1134 C THR A 75 4.308 -7.148 -12.124 1.00 0.00 C ATOM 1135 O THR A 75 5.382 -6.902 -11.608 1.00 0.00 O ATOM 1136 CB THR A 75 3.814 -6.734 -14.585 1.00 0.00 C ATOM 1137 OG1 THR A 75 2.532 -7.279 -14.823 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.649 -7.994 -14.759 1.00 0.00 C ATOM 0 H THR A 75 5.424 -4.871 -13.358 1.00 0.00 H new ATOM 0 HA THR A 75 2.662 -6.007 -12.875 1.00 0.00 H new ATOM 0 HB THR A 75 4.219 -5.929 -15.198 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.411 -8.083 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.644 -8.292 -15.807 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.674 -7.798 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.229 -8.796 -14.152 1.00 0.00 H new ATOM 1146 N PHE A 76 3.642 -8.233 -11.864 1.00 0.00 N ATOM 1147 CA PHE A 76 4.169 -9.252 -10.880 1.00 0.00 C ATOM 1148 C PHE A 76 4.686 -10.564 -11.545 1.00 0.00 C ATOM 1149 O PHE A 76 4.155 -11.640 -11.364 1.00 0.00 O ATOM 1150 CB PHE A 76 3.003 -9.481 -9.874 1.00 0.00 C ATOM 1151 CG PHE A 76 2.977 -8.208 -9.016 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.474 -7.030 -9.526 1.00 0.00 C ATOM 1153 CD2 PHE A 76 3.494 -8.214 -7.740 1.00 0.00 C ATOM 1154 CE1 PHE A 76 2.492 -5.878 -8.777 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.515 -7.060 -6.984 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.012 -5.889 -7.505 1.00 0.00 C ATOM 0 H PHE A 76 2.746 -8.473 -12.288 1.00 0.00 H new ATOM 0 HA PHE A 76 5.063 -8.885 -10.376 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.056 -9.629 -10.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.174 -10.367 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.062 -7.012 -10.524 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.887 -9.131 -7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.096 -4.961 -9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.925 -7.075 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.026 -4.983 -6.917 1.00 0.00 H new ATOM 1166 N PRO A 77 5.749 -10.393 -12.296 1.00 0.00 N ATOM 1167 CA PRO A 77 6.021 -11.124 -13.574 1.00 0.00 C ATOM 1168 C PRO A 77 5.396 -12.523 -13.836 1.00 0.00 C ATOM 1169 O PRO A 77 4.410 -12.628 -14.539 1.00 0.00 O ATOM 1170 CB PRO A 77 7.597 -11.089 -13.622 1.00 0.00 C ATOM 1171 CG PRO A 77 8.033 -10.368 -12.299 1.00 0.00 C ATOM 1172 CD PRO A 77 6.864 -9.471 -11.957 1.00 0.00 C ATOM 0 HA PRO A 77 5.499 -10.635 -14.396 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.012 -12.096 -13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.952 -10.550 -14.500 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.230 -11.085 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.947 -9.792 -12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.857 -9.171 -10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.848 -8.557 -12.550 1.00 0.00 H new ATOM 1180 N ALA A 78 5.981 -13.547 -13.285 1.00 0.00 N ATOM 1181 CA ALA A 78 5.457 -14.955 -13.481 1.00 0.00 C ATOM 1182 C ALA A 78 5.674 -15.901 -12.261 1.00 0.00 C ATOM 1183 O ALA A 78 5.123 -16.979 -12.145 1.00 0.00 O ATOM 1184 CB ALA A 78 6.159 -15.481 -14.749 1.00 0.00 C ATOM 0 H ALA A 78 6.812 -13.482 -12.697 1.00 0.00 H new ATOM 0 HA ALA A 78 4.372 -14.934 -13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.827 -16.499 -14.953 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.909 -14.841 -15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.238 -15.475 -14.596 1.00 0.00 H new ATOM 1190 N ASP A 79 6.504 -15.397 -11.413 1.00 0.00 N ATOM 1191 CA ASP A 79 6.972 -15.994 -10.131 1.00 0.00 C ATOM 1192 C ASP A 79 5.955 -15.758 -8.973 1.00 0.00 C ATOM 1193 O ASP A 79 5.504 -16.701 -8.351 1.00 0.00 O ATOM 1194 CB ASP A 79 8.380 -15.322 -9.965 1.00 0.00 C ATOM 1195 CG ASP A 79 8.249 -13.814 -10.084 1.00 0.00 C ATOM 1196 OD1 ASP A 79 8.302 -13.384 -11.221 1.00 0.00 O ATOM 1197 OD2 ASP A 79 8.080 -13.189 -9.060 1.00 0.00 O ATOM 0 H ASP A 79 6.928 -14.484 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 79 7.049 -17.081 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.806 -15.584 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.064 -15.698 -10.726 1.00 0.00 H new ATOM 1202 N ALA A 80 5.658 -14.510 -8.744 1.00 0.00 N ATOM 1203 CA ALA A 80 4.698 -14.025 -7.691 1.00 0.00 C ATOM 1204 C ALA A 80 3.957 -15.105 -6.810 1.00 0.00 C ATOM 1205 O ALA A 80 2.767 -15.279 -6.962 1.00 0.00 O ATOM 1206 CB ALA A 80 3.713 -13.119 -8.473 1.00 0.00 C ATOM 0 H ALA A 80 6.070 -13.748 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 80 5.263 -13.515 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.969 -12.714 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.262 -12.300 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.214 -13.705 -9.245 1.00 0.00 H new ATOM 1212 N PRO A 81 4.673 -15.781 -5.924 1.00 0.00 N ATOM 1213 CA PRO A 81 4.178 -16.976 -5.126 1.00 0.00 C ATOM 1214 C PRO A 81 2.933 -16.656 -4.239 1.00 0.00 C ATOM 1215 O PRO A 81 3.017 -16.621 -3.023 1.00 0.00 O ATOM 1216 CB PRO A 81 5.444 -17.379 -4.336 1.00 0.00 C ATOM 1217 CG PRO A 81 6.129 -15.991 -4.157 1.00 0.00 C ATOM 1218 CD PRO A 81 6.078 -15.434 -5.575 1.00 0.00 C ATOM 0 HA PRO A 81 3.792 -17.788 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.204 -17.848 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.070 -18.081 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.593 -15.358 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.151 -16.084 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.266 -14.361 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.803 -15.907 -6.237 1.00 0.00 H new ATOM 1226 N ALA A 82 1.844 -16.441 -4.924 1.00 0.00 N ATOM 1227 CA ALA A 82 0.482 -16.089 -4.399 1.00 0.00 C ATOM 1228 C ALA A 82 0.632 -14.539 -4.326 1.00 0.00 C ATOM 1229 O ALA A 82 1.725 -14.051 -4.099 1.00 0.00 O ATOM 1230 CB ALA A 82 0.249 -16.751 -2.994 1.00 0.00 C ATOM 0 H ALA A 82 1.847 -16.503 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.370 -16.426 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.743 -16.486 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.325 -17.835 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.003 -16.392 -2.293 1.00 0.00 H new ATOM 1236 N GLY A 83 -0.363 -13.708 -4.493 1.00 0.00 N ATOM 1237 CA GLY A 83 -0.036 -12.226 -4.399 1.00 0.00 C ATOM 1238 C GLY A 83 -0.507 -11.301 -3.311 1.00 0.00 C ATOM 1239 O GLY A 83 -0.801 -10.177 -3.631 1.00 0.00 O ATOM 0 H GLY A 83 -1.335 -13.954 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.052 -12.160 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.379 -11.785 -5.335 1.00 0.00 H new ATOM 1243 N GLU A 84 -0.563 -11.696 -2.085 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.045 -10.732 -1.030 1.00 0.00 C ATOM 1245 C GLU A 84 0.066 -9.736 -0.555 1.00 0.00 C ATOM 1246 O GLU A 84 0.681 -9.914 0.471 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.625 -11.674 0.086 1.00 0.00 C ATOM 1248 CG GLU A 84 -2.014 -10.900 1.398 1.00 0.00 C ATOM 1249 CD GLU A 84 -3.028 -9.785 1.255 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -3.411 -9.448 0.155 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -3.354 -9.290 2.314 1.00 0.00 O ATOM 0 H GLU A 84 -0.305 -12.625 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.804 -10.039 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.505 -12.188 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.888 -12.440 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.402 -11.622 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.105 -10.480 1.827 1.00 0.00 H new ATOM 1258 N TYR A 85 0.313 -8.686 -1.298 1.00 0.00 N ATOM 1259 CA TYR A 85 1.386 -7.678 -0.904 1.00 0.00 C ATOM 1260 C TYR A 85 0.837 -6.291 -0.448 1.00 0.00 C ATOM 1261 O TYR A 85 0.075 -5.651 -1.153 1.00 0.00 O ATOM 1262 CB TYR A 85 2.338 -7.451 -2.117 1.00 0.00 C ATOM 1263 CG TYR A 85 2.707 -8.750 -2.845 1.00 0.00 C ATOM 1264 CD1 TYR A 85 3.402 -9.760 -2.218 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.336 -8.923 -4.161 1.00 0.00 C ATOM 1266 CE1 TYR A 85 3.716 -10.923 -2.907 1.00 0.00 C ATOM 1267 CE2 TYR A 85 2.650 -10.078 -4.837 1.00 0.00 C ATOM 1268 CZ TYR A 85 3.336 -11.077 -4.216 1.00 0.00 C ATOM 1269 OH TYR A 85 3.615 -12.215 -4.925 1.00 0.00 O ATOM 0 H TYR A 85 -0.176 -8.470 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 85 1.900 -8.109 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.862 -6.769 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.250 -6.965 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.704 -9.647 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.791 -8.140 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.262 -11.711 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.350 -10.194 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 85 3.019 -12.936 -4.634 1.00 0.00 H new ATOM 1279 N THR A 86 1.245 -5.864 0.711 1.00 0.00 N ATOM 1280 CA THR A 86 0.817 -4.538 1.318 1.00 0.00 C ATOM 1281 C THR A 86 1.926 -3.468 1.297 1.00 0.00 C ATOM 1282 O THR A 86 2.714 -3.312 2.211 1.00 0.00 O ATOM 1283 CB THR A 86 0.395 -4.726 2.773 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.771 -5.533 2.734 1.00 0.00 O ATOM 1285 CG2 THR A 86 -0.259 -3.453 3.297 1.00 0.00 C ATOM 0 H THR A 86 1.887 -6.392 1.302 1.00 0.00 H new ATOM 0 HA THR A 86 -0.012 -4.193 0.700 1.00 0.00 H new ATOM 0 HB THR A 86 1.260 -5.072 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.090 -5.691 3.647 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.556 -3.598 4.336 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.450 -2.627 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.139 -3.222 2.696 1.00 0.00 H new ATOM 1293 N PHE A 87 1.949 -2.719 0.237 1.00 0.00 N ATOM 1294 CA PHE A 87 2.981 -1.644 0.075 1.00 0.00 C ATOM 1295 C PHE A 87 2.755 -0.343 0.863 1.00 0.00 C ATOM 1296 O PHE A 87 1.667 0.173 0.943 1.00 0.00 O ATOM 1297 CB PHE A 87 3.116 -1.275 -1.428 1.00 0.00 C ATOM 1298 CG PHE A 87 1.894 -1.681 -2.233 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.693 -3.005 -2.514 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.991 -0.750 -2.669 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.600 -3.410 -3.224 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.114 -1.141 -3.386 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.317 -2.476 -3.667 1.00 0.00 C ATOM 0 H PHE A 87 1.292 -2.800 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 87 3.885 -2.086 0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.271 -0.200 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.999 -1.762 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.408 -3.738 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.147 0.296 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.452 -4.458 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.824 -0.403 -3.730 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.185 -2.789 -4.228 1.00 0.00 H new ATOM 1313 N TYR A 88 3.785 0.183 1.444 1.00 0.00 N ATOM 1314 CA TYR A 88 3.681 1.452 2.234 1.00 0.00 C ATOM 1315 C TYR A 88 4.487 2.710 1.761 1.00 0.00 C ATOM 1316 O TYR A 88 5.593 2.580 1.288 1.00 0.00 O ATOM 1317 CB TYR A 88 4.026 0.998 3.671 1.00 0.00 C ATOM 1318 CG TYR A 88 5.184 -0.010 3.713 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.501 0.386 3.764 1.00 0.00 C ATOM 1320 CD2 TYR A 88 4.904 -1.363 3.706 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.510 -0.551 3.810 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.924 -2.289 3.751 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.229 -1.886 3.806 1.00 0.00 C ATOM 1324 OH TYR A 88 8.247 -2.805 3.863 1.00 0.00 O ATOM 0 H TYR A 88 4.723 -0.216 1.410 1.00 0.00 H new ATOM 0 HA TYR A 88 2.682 1.870 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.287 1.870 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.143 0.550 4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.745 1.438 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.878 -1.698 3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.538 -0.224 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.690 -3.343 3.743 1.00 0.00 H new ATOM 0 HH TYR A 88 8.225 -3.368 3.061 1.00 0.00 H new ATOM 1334 N CYS A 89 3.927 3.892 1.884 1.00 0.00 N ATOM 1335 CA CYS A 89 4.639 5.163 1.452 1.00 0.00 C ATOM 1336 C CYS A 89 5.174 6.080 2.604 1.00 0.00 C ATOM 1337 O CYS A 89 4.781 7.220 2.773 1.00 0.00 O ATOM 1338 CB CYS A 89 3.633 5.926 0.555 1.00 0.00 C ATOM 1339 SG CYS A 89 4.186 7.448 -0.253 1.00 0.00 S ATOM 0 H CYS A 89 2.995 4.042 2.269 1.00 0.00 H new ATOM 0 HA CYS A 89 5.554 4.878 0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.295 5.241 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.763 6.171 1.165 1.00 0.00 H new ATOM 0 HG CYS A 89 3.179 8.013 -0.849 1.00 0.00 H new ATOM 1344 N GLU A 90 6.063 5.538 3.374 1.00 0.00 N ATOM 1345 CA GLU A 90 6.733 6.209 4.550 1.00 0.00 C ATOM 1346 C GLU A 90 6.687 7.761 4.687 1.00 0.00 C ATOM 1347 O GLU A 90 6.111 8.237 5.648 1.00 0.00 O ATOM 1348 CB GLU A 90 8.205 5.662 4.547 1.00 0.00 C ATOM 1349 CG GLU A 90 8.201 4.079 4.451 1.00 0.00 C ATOM 1350 CD GLU A 90 7.114 3.449 5.286 1.00 0.00 C ATOM 1351 OE1 GLU A 90 6.006 3.370 4.798 1.00 0.00 O ATOM 1352 OE2 GLU A 90 7.379 3.063 6.399 1.00 0.00 O ATOM 0 H GLU A 90 6.386 4.581 3.234 1.00 0.00 H new ATOM 0 HA GLU A 90 6.143 5.951 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.755 6.083 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.720 5.977 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.072 3.782 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.169 3.697 4.774 1.00 0.00 H new ATOM 1359 N PRO A 91 7.254 8.525 3.767 1.00 0.00 N ATOM 1360 CA PRO A 91 7.230 10.034 3.820 1.00 0.00 C ATOM 1361 C PRO A 91 5.826 10.602 4.122 1.00 0.00 C ATOM 1362 O PRO A 91 5.637 11.693 4.619 1.00 0.00 O ATOM 1363 CB PRO A 91 7.803 10.437 2.437 1.00 0.00 C ATOM 1364 CG PRO A 91 7.561 9.166 1.577 1.00 0.00 C ATOM 1365 CD PRO A 91 7.952 8.046 2.543 1.00 0.00 C ATOM 0 HA PRO A 91 7.816 10.450 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.291 11.307 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.862 10.689 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.523 9.083 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.175 9.160 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.600 7.068 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.031 7.967 2.679 1.00 0.00 H new ATOM 1373 N HIS A 92 4.870 9.794 3.781 1.00 0.00 N ATOM 1374 CA HIS A 92 3.425 10.102 3.965 1.00 0.00 C ATOM 1375 C HIS A 92 2.719 9.157 4.970 1.00 0.00 C ATOM 1376 O HIS A 92 1.745 9.565 5.572 1.00 0.00 O ATOM 1377 CB HIS A 92 2.764 9.995 2.606 1.00 0.00 C ATOM 1378 CG HIS A 92 3.416 10.871 1.553 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.372 10.534 0.276 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.081 12.071 1.715 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.999 11.521 -0.336 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.407 12.404 0.509 1.00 0.00 N ATOM 0 H HIS A 92 5.040 8.881 3.359 1.00 0.00 H new ATOM 0 HA HIS A 92 3.336 11.104 4.385 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.794 8.957 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.713 10.270 2.698 1.00 0.00 H new ATOM 0 HD1 HIS A 92 2.951 9.703 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.281 12.605 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.150 11.581 -1.404 1.00 0.00 H new ATOM 1390 N ARG A 93 3.193 7.937 5.116 1.00 0.00 N ATOM 1391 CA ARG A 93 2.578 6.921 6.074 1.00 0.00 C ATOM 1392 C ARG A 93 1.696 7.530 7.197 1.00 0.00 C ATOM 1393 O ARG A 93 0.600 7.068 7.430 1.00 0.00 O ATOM 1394 CB ARG A 93 3.729 6.063 6.712 1.00 0.00 C ATOM 1395 CG ARG A 93 3.057 5.035 7.700 1.00 0.00 C ATOM 1396 CD ARG A 93 4.052 4.025 8.292 1.00 0.00 C ATOM 1397 NE ARG A 93 4.662 3.288 7.135 1.00 0.00 N ATOM 1398 CZ ARG A 93 4.383 2.114 6.774 1.00 0.00 C ATOM 1399 NH1 ARG A 93 3.180 1.836 6.597 1.00 0.00 N ATOM 1400 NH2 ARG A 93 5.324 1.309 6.608 1.00 0.00 N ATOM 0 H ARG A 93 4.001 7.584 4.603 1.00 0.00 H new ATOM 0 HA ARG A 93 1.901 6.311 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.292 5.540 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.434 6.702 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.578 5.582 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.271 4.494 7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.820 4.535 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.546 3.334 8.967 1.00 0.00 H new ATOM 0 HE ARG A 93 5.368 3.784 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.465 2.548 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.911 0.897 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.286 1.610 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.130 0.351 6.316 1.00 0.00 H new ATOM 1414 N GLY A 94 2.216 8.531 7.861 1.00 0.00 N ATOM 1415 CA GLY A 94 1.488 9.258 8.983 1.00 0.00 C ATOM 1416 C GLY A 94 -0.039 9.325 8.805 1.00 0.00 C ATOM 1417 O GLY A 94 -0.789 9.208 9.749 1.00 0.00 O ATOM 0 H GLY A 94 3.149 8.898 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.711 8.761 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.879 10.273 9.057 1.00 0.00 H new ATOM 1421 N ALA A 95 -0.446 9.515 7.580 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.907 9.604 7.234 1.00 0.00 C ATOM 1423 C ALA A 95 -2.422 8.327 6.489 1.00 0.00 C ATOM 1424 O ALA A 95 -3.201 8.370 5.554 1.00 0.00 O ATOM 1425 CB ALA A 95 -2.048 10.891 6.389 1.00 0.00 C ATOM 0 H ALA A 95 0.181 9.615 6.782 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.529 9.652 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.090 11.023 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.723 11.750 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.430 10.809 5.495 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.945 7.198 6.933 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.336 5.863 6.340 1.00 0.00 C ATOM 1433 C GLY A 96 -1.439 5.399 5.196 1.00 0.00 C ATOM 1434 O GLY A 96 -0.811 4.362 5.259 1.00 0.00 O ATOM 0 H GLY A 96 -1.281 7.131 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.320 5.110 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.363 5.925 5.979 1.00 0.00 H new ATOM 1438 N MET A 97 -1.423 6.216 4.183 1.00 0.00 N ATOM 1439 CA MET A 97 -0.627 6.001 2.916 1.00 0.00 C ATOM 1440 C MET A 97 -0.034 4.583 2.600 1.00 0.00 C ATOM 1441 O MET A 97 1.136 4.381 2.315 1.00 0.00 O ATOM 1442 CB MET A 97 0.471 7.123 2.964 1.00 0.00 C ATOM 1443 CG MET A 97 0.210 8.155 1.828 1.00 0.00 C ATOM 1444 SD MET A 97 1.030 7.871 0.239 1.00 0.00 S ATOM 1445 CE MET A 97 -0.419 7.620 -0.817 1.00 0.00 C ATOM 0 H MET A 97 -1.961 7.083 4.172 1.00 0.00 H new ATOM 0 HA MET A 97 -1.320 6.060 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.454 7.621 3.933 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.461 6.682 2.849 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.865 8.195 1.650 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.510 9.138 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.113 7.142 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.139 6.984 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.879 8.583 -1.038 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.922 3.635 2.694 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.619 2.190 2.423 1.00 0.00 C ATOM 1457 C VAL A 98 -1.502 1.602 1.268 1.00 0.00 C ATOM 1458 O VAL A 98 -2.634 2.005 1.076 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.846 1.429 3.766 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -2.324 1.460 4.192 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -0.426 -0.042 3.622 1.00 0.00 C ATOM 0 H VAL A 98 -1.892 3.806 2.960 1.00 0.00 H new ATOM 0 HA VAL A 98 0.409 2.077 2.079 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.242 1.930 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.443 0.920 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.643 2.494 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.935 0.988 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.590 -0.561 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.020 -0.515 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.630 -0.095 3.357 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.962 0.673 0.533 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.671 -0.009 -0.614 1.00 0.00 C ATOM 1473 C GLY A 99 -1.639 -1.545 -0.496 1.00 0.00 C ATOM 1474 O GLY A 99 -0.784 -2.126 0.141 1.00 0.00 O ATOM 0 H GLY A 99 -0.011 0.335 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.707 0.328 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.207 0.290 -1.554 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.584 -2.179 -1.121 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.695 -3.683 -1.105 1.00 0.00 C ATOM 1480 C LYS A 100 -2.968 -4.350 -2.483 1.00 0.00 C ATOM 1481 O LYS A 100 -4.070 -4.260 -2.990 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.824 -4.016 -0.064 1.00 0.00 C ATOM 1483 CG LYS A 100 -4.285 -5.528 -0.024 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.472 -6.428 0.969 1.00 0.00 C ATOM 1485 CE LYS A 100 -2.064 -6.763 0.488 1.00 0.00 C ATOM 1486 NZ LYS A 100 -1.417 -7.648 1.504 1.00 0.00 N ATOM 0 H LYS A 100 -3.313 -1.714 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.728 -4.103 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.474 -3.734 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.692 -3.395 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.339 -5.566 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.201 -5.947 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.406 -5.921 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.019 -7.356 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.103 -7.262 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.482 -5.851 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.895 -8.407 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.758 -7.089 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.147 -8.065 2.116 1.00 0.00 H new ATOM 1500 N ILE A 101 -1.991 -4.987 -3.067 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.221 -5.661 -4.393 1.00 0.00 C ATOM 1502 C ILE A 101 -2.281 -7.142 -3.937 1.00 0.00 C ATOM 1503 O ILE A 101 -1.391 -7.655 -3.286 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.019 -5.464 -5.465 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.672 -5.488 -6.896 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.008 -6.625 -5.451 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.641 -5.794 -8.052 1.00 0.00 C ATOM 0 H ILE A 101 -1.046 -5.074 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.092 -5.268 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.500 -4.538 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.461 -6.240 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.145 -4.525 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.772 -6.437 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.440 -6.705 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.520 -7.556 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.159 -5.795 -9.011 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.135 -5.028 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.186 -6.770 -7.884 1.00 0.00 H new ATOM 1519 N THR A 102 -3.349 -7.771 -4.280 1.00 0.00 N ATOM 1520 CA THR A 102 -3.586 -9.211 -3.926 1.00 0.00 C ATOM 1521 C THR A 102 -3.626 -10.035 -5.209 1.00 0.00 C ATOM 1522 O THR A 102 -4.688 -10.167 -5.791 1.00 0.00 O ATOM 1523 CB THR A 102 -4.924 -9.349 -3.188 1.00 0.00 C ATOM 1524 OG1 THR A 102 -4.870 -8.414 -2.127 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.028 -10.661 -2.437 1.00 0.00 C ATOM 0 H THR A 102 -4.107 -7.344 -4.812 1.00 0.00 H new ATOM 0 HA THR A 102 -2.783 -9.567 -3.280 1.00 0.00 H new ATOM 0 HB THR A 102 -5.727 -9.239 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.345 -8.787 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.991 -10.715 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.941 -11.490 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.227 -10.723 -1.701 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.528 -10.585 -5.669 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.643 -11.377 -6.937 1.00 0.00 C ATOM 1535 C VAL A 103 -3.394 -12.679 -6.596 1.00 0.00 C ATOM 1536 O VAL A 103 -2.948 -13.466 -5.782 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.203 -11.660 -7.499 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.281 -11.982 -8.973 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.265 -10.446 -7.304 1.00 0.00 C ATOM 0 H VAL A 103 -1.601 -10.527 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.193 -10.837 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.796 -12.506 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.279 -12.177 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.904 -12.864 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.716 -11.137 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.721 -10.680 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.674 -9.582 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.180 -10.219 -6.241 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.519 -12.839 -7.232 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.379 -14.049 -7.015 1.00 0.00 C ATOM 1551 C ALA A 104 -5.065 -15.173 -8.040 1.00 0.00 C ATOM 1552 O ALA A 104 -5.860 -15.562 -8.876 1.00 0.00 O ATOM 1553 CB ALA A 104 -6.836 -13.527 -7.094 1.00 0.00 C ATOM 0 H ALA A 104 -4.892 -12.172 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.193 -14.522 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.528 -14.356 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.996 -12.777 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.010 -13.081 -8.073 1.00 0.00 H new ATOM 1559 N GLY A 105 -3.854 -15.620 -7.899 1.00 0.00 N ATOM 1560 CA GLY A 105 -3.221 -16.706 -8.717 1.00 0.00 C ATOM 1561 C GLY A 105 -1.989 -17.216 -7.971 1.00 0.00 C ATOM 1562 O GLY A 105 -1.629 -16.575 -6.995 1.00 0.00 O ATOM 1563 OXT GLY A 105 -1.480 -18.218 -8.436 1.00 0.00 O ATOM 0 H GLY A 105 -3.222 -15.247 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.929 -17.519 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.939 -16.326 -9.699 1.00 0.00 H new