USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 47 ASN : amide:sc= -2.25 K(o=-2.7,f=-6.6!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.452 K(o=-2.7,f=-6.8!) USER MOD Set 2.1: A 20 SER OG : rot -132:sc= 1.53 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.878 K(o=0.65,f=-3.4!) USER MOD Single : A 0 MET CE :methyl 169:sc= -0.0101 (180deg=-0.341) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= -0.0503 (180deg=-0.58) USER MOD Single : A 12 ASN : amide:sc= 0.388 K(o=0.39,f=-9.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 26 GLN : amide:sc= 1.71 K(o=1.7,f=-7.5!) USER MOD Single : A 28 TYR OH : rot -9:sc= 0.967 USER MOD Single : A 31 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.735 (180deg=-1.26) USER MOD Single : A 33 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.27) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 1.14 (180deg=0.584) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 98:sc= -0.407 USER MOD Single : A 51 CYS SG : rot -150:sc= -0.121 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0768 K(o=-0.077,f=-3.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.92 K(o=1.9,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.426 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.175 K(o=0.17,f=-4.1!) USER MOD Single : A 80 ASN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.16) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -175:sc= 0 (180deg=-0.0372) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00241) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -13.129 9.091 -3.041 1.00 0.00 N ATOM 2 CA MET A 0 -11.815 9.562 -2.593 1.00 0.00 C ATOM 3 C MET A 0 -10.753 8.630 -3.152 1.00 0.00 C ATOM 4 O MET A 0 -10.784 7.430 -2.875 1.00 0.00 O ATOM 5 CB MET A 0 -11.707 9.631 -1.062 1.00 0.00 C ATOM 6 CG MET A 0 -10.338 10.193 -0.641 1.00 0.00 C ATOM 7 SD MET A 0 -10.036 10.389 1.130 1.00 0.00 S ATOM 8 CE MET A 0 -10.184 8.674 1.660 1.00 0.00 C ATOM 0 H1 MET A 0 -13.869 9.719 -2.667 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.164 9.096 -4.080 1.00 0.00 H new ATOM 0 H3 MET A 0 -13.288 8.123 -2.694 1.00 0.00 H new ATOM 0 HA MET A 0 -11.670 10.577 -2.962 1.00 0.00 H new ATOM 0 HB2 MET A 0 -12.503 10.261 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 0 -11.844 8.637 -0.637 1.00 0.00 H new ATOM 0 HG2 MET A 0 -9.565 9.539 -1.045 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.212 11.166 -1.115 1.00 0.00 H new ATOM 0 HE1 MET A 0 -9.836 8.580 2.689 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.227 8.363 1.599 1.00 0.00 H new ATOM 0 HE3 MET A 0 -9.578 8.040 1.013 1.00 0.00 H new ATOM 20 N ALA A 1 -9.819 9.175 -3.922 1.00 0.00 N ATOM 21 CA ALA A 1 -8.640 8.473 -4.381 1.00 0.00 C ATOM 22 C ALA A 1 -7.453 9.103 -3.660 1.00 0.00 C ATOM 23 O ALA A 1 -6.834 8.482 -2.795 1.00 0.00 O ATOM 24 CB ALA A 1 -8.540 8.599 -5.907 1.00 0.00 C ATOM 0 H ALA A 1 -9.867 10.140 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.671 7.406 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.653 8.072 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.427 8.163 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.469 9.652 -6.181 1.00 0.00 H new ATOM 30 N ARG A 2 -7.190 10.371 -3.980 1.00 0.00 N ATOM 31 CA ARG A 2 -6.005 11.127 -3.606 1.00 0.00 C ATOM 32 C ARG A 2 -4.707 10.386 -3.948 1.00 0.00 C ATOM 33 O ARG A 2 -4.703 9.226 -4.369 1.00 0.00 O ATOM 34 CB ARG A 2 -6.043 11.527 -2.125 1.00 0.00 C ATOM 35 CG ARG A 2 -7.324 12.283 -1.749 1.00 0.00 C ATOM 36 CD ARG A 2 -7.226 12.935 -0.360 1.00 0.00 C ATOM 37 NE ARG A 2 -6.604 12.036 0.622 1.00 0.00 N ATOM 38 CZ ARG A 2 -6.766 12.039 1.952 1.00 0.00 C ATOM 39 NH1 ARG A 2 -7.617 12.870 2.561 1.00 0.00 N ATOM 40 NH2 ARG A 2 -6.044 11.167 2.651 1.00 0.00 N ATOM 0 H ARG A 2 -7.839 10.925 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.014 12.040 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.960 10.632 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.178 12.151 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.523 13.051 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.169 11.595 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.645 13.854 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.223 13.213 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.975 11.326 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.168 13.529 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.715 12.845 3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.403 10.535 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.132 11.130 3.667 1.00 0.00 H new ATOM 54 N ILE A 3 -3.588 11.069 -3.738 1.00 0.00 N ATOM 55 CA ILE A 3 -2.263 10.525 -3.963 1.00 0.00 C ATOM 56 C ILE A 3 -1.828 9.616 -2.812 1.00 0.00 C ATOM 57 O ILE A 3 -2.504 9.488 -1.781 1.00 0.00 O ATOM 58 CB ILE A 3 -1.254 11.664 -4.205 1.00 0.00 C ATOM 59 CG1 ILE A 3 -0.795 12.428 -2.946 1.00 0.00 C ATOM 60 CG2 ILE A 3 -1.766 12.625 -5.286 1.00 0.00 C ATOM 61 CD1 ILE A 3 -1.902 13.067 -2.100 1.00 0.00 C ATOM 0 H ILE A 3 -3.580 12.032 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.293 9.904 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.351 11.164 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.235 11.740 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.104 13.212 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.037 13.421 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.910 12.080 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.715 13.058 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.458 13.575 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.452 13.788 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.584 12.293 -1.749 1.00 0.00 H new ATOM 73 N ASP A 4 -0.651 9.017 -2.988 1.00 0.00 N ATOM 74 CA ASP A 4 0.169 8.432 -1.946 1.00 0.00 C ATOM 75 C ASP A 4 1.509 9.176 -1.926 1.00 0.00 C ATOM 76 O ASP A 4 2.098 9.378 -2.982 1.00 0.00 O ATOM 77 CB ASP A 4 0.366 6.924 -2.167 1.00 0.00 C ATOM 78 CG ASP A 4 0.619 6.463 -3.589 1.00 0.00 C ATOM 79 OD1 ASP A 4 1.540 6.977 -4.252 1.00 0.00 O ATOM 80 OD2 ASP A 4 -0.165 5.587 -4.011 1.00 0.00 O ATOM 0 H ASP A 4 -0.228 8.926 -3.912 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.327 8.537 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.204 6.598 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.520 6.409 -1.797 1.00 0.00 H new ATOM 85 N PRO A 5 1.981 9.643 -0.764 1.00 0.00 N ATOM 86 CA PRO A 5 3.331 10.158 -0.647 1.00 0.00 C ATOM 87 C PRO A 5 4.339 9.010 -0.542 1.00 0.00 C ATOM 88 O PRO A 5 5.480 9.148 -0.976 1.00 0.00 O ATOM 89 CB PRO A 5 3.316 11.027 0.612 1.00 0.00 C ATOM 90 CG PRO A 5 2.236 10.388 1.486 1.00 0.00 C ATOM 91 CD PRO A 5 1.235 9.837 0.469 1.00 0.00 C ATOM 0 HA PRO A 5 3.635 10.736 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.286 11.026 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.079 12.065 0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.645 9.598 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.773 11.118 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.804 8.898 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.408 10.532 0.320 1.00 0.00 H new ATOM 99 N THR A 6 3.948 7.907 0.096 1.00 0.00 N ATOM 100 CA THR A 6 4.852 6.862 0.558 1.00 0.00 C ATOM 101 C THR A 6 4.245 5.477 0.281 1.00 0.00 C ATOM 102 O THR A 6 4.314 4.581 1.123 1.00 0.00 O ATOM 103 CB THR A 6 5.113 7.116 2.055 1.00 0.00 C ATOM 104 OG1 THR A 6 3.875 7.332 2.716 1.00 0.00 O ATOM 105 CG2 THR A 6 5.998 8.354 2.253 1.00 0.00 C ATOM 0 H THR A 6 2.969 7.714 0.309 1.00 0.00 H new ATOM 0 HA THR A 6 5.803 6.883 0.025 1.00 0.00 H new ATOM 0 HB THR A 6 5.622 6.246 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.037 7.492 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.168 8.513 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.954 8.202 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.501 9.228 1.831 1.00 0.00 H new ATOM 113 N LYS A 7 3.620 5.321 -0.887 1.00 0.00 N ATOM 114 CA LYS A 7 3.080 4.092 -1.460 1.00 0.00 C ATOM 115 C LYS A 7 2.531 3.146 -0.381 1.00 0.00 C ATOM 116 O LYS A 7 3.077 2.073 -0.135 1.00 0.00 O ATOM 117 CB LYS A 7 4.140 3.483 -2.404 1.00 0.00 C ATOM 118 CG LYS A 7 3.593 2.704 -3.614 1.00 0.00 C ATOM 119 CD LYS A 7 2.662 3.566 -4.489 1.00 0.00 C ATOM 120 CE LYS A 7 2.486 3.046 -5.926 1.00 0.00 C ATOM 121 NZ LYS A 7 3.701 3.208 -6.754 1.00 0.00 N ATOM 0 H LYS A 7 3.467 6.118 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 7 2.201 4.303 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.776 4.288 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.775 2.815 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.425 2.343 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.050 1.826 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.683 3.622 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.056 4.582 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.214 1.991 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.658 3.575 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.496 2.919 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.998 4.204 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.464 2.615 -6.370 1.00 0.00 H new ATOM 135 N LYS A 8 1.450 3.564 0.283 1.00 0.00 N ATOM 136 CA LYS A 8 0.950 2.967 1.514 1.00 0.00 C ATOM 137 C LYS A 8 0.707 1.454 1.428 1.00 0.00 C ATOM 138 O LYS A 8 -0.367 1.004 1.040 1.00 0.00 O ATOM 139 CB LYS A 8 -0.307 3.712 2.021 1.00 0.00 C ATOM 140 CG LYS A 8 -1.548 3.857 1.118 1.00 0.00 C ATOM 141 CD LYS A 8 -1.272 4.629 -0.173 1.00 0.00 C ATOM 142 CE LYS A 8 -2.546 5.149 -0.861 1.00 0.00 C ATOM 143 NZ LYS A 8 -2.814 6.576 -0.572 1.00 0.00 N ATOM 0 H LYS A 8 0.885 4.351 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 8 1.750 3.087 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.630 3.213 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.006 4.718 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.923 2.865 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.336 4.364 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.619 5.473 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.733 3.983 -0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.453 5.013 -1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.398 4.551 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.834 6.715 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.300 6.859 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.496 7.158 -1.373 1.00 0.00 H new ATOM 157 N GLY A 9 1.686 0.669 1.889 1.00 0.00 N ATOM 158 CA GLY A 9 1.567 -0.771 2.079 1.00 0.00 C ATOM 159 C GLY A 9 0.327 -1.114 2.904 1.00 0.00 C ATOM 160 O GLY A 9 -0.500 -1.924 2.482 1.00 0.00 O ATOM 0 H GLY A 9 2.604 1.031 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.511 -1.266 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.458 -1.150 2.580 1.00 0.00 H new ATOM 164 N ARG A 10 0.183 -0.479 4.069 1.00 0.00 N ATOM 165 CA ARG A 10 -1.003 -0.563 4.911 1.00 0.00 C ATOM 166 C ARG A 10 -1.654 0.818 4.963 1.00 0.00 C ATOM 167 O ARG A 10 -1.052 1.762 5.480 1.00 0.00 O ATOM 168 CB ARG A 10 -0.631 -1.031 6.327 1.00 0.00 C ATOM 169 CG ARG A 10 -0.114 -2.475 6.332 1.00 0.00 C ATOM 170 CD ARG A 10 0.153 -2.962 7.763 1.00 0.00 C ATOM 171 NE ARG A 10 0.738 -4.317 7.771 1.00 0.00 N ATOM 172 CZ ARG A 10 0.540 -5.280 8.688 1.00 0.00 C ATOM 173 NH1 ARG A 10 -0.258 -5.084 9.737 1.00 0.00 N ATOM 174 NH2 ARG A 10 1.154 -6.445 8.511 1.00 0.00 N ATOM 0 H ARG A 10 0.909 0.122 4.459 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.700 -1.290 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.132 -0.370 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.503 -0.955 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.844 -3.127 5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.803 -2.538 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.829 -2.269 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.779 -2.963 8.328 1.00 0.00 H new ATOM 0 HE ARG A 10 1.360 -4.548 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.733 -4.189 9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.394 -5.829 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.754 -6.587 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.026 -7.197 9.188 1.00 0.00 H new ATOM 188 N ARG A 11 -2.859 0.951 4.412 1.00 0.00 N ATOM 189 CA ARG A 11 -3.741 2.066 4.672 1.00 0.00 C ATOM 190 C ARG A 11 -4.094 2.119 6.168 1.00 0.00 C ATOM 191 O ARG A 11 -3.630 1.313 6.968 1.00 0.00 O ATOM 192 CB ARG A 11 -5.003 1.968 3.783 1.00 0.00 C ATOM 193 CG ARG A 11 -5.333 3.318 3.124 1.00 0.00 C ATOM 194 CD ARG A 11 -6.769 3.366 2.570 1.00 0.00 C ATOM 195 NE ARG A 11 -7.027 4.587 1.782 1.00 0.00 N ATOM 196 CZ ARG A 11 -7.047 5.847 2.247 1.00 0.00 C ATOM 197 NH1 ARG A 11 -6.941 6.082 3.555 1.00 0.00 N ATOM 198 NH2 ARG A 11 -7.154 6.852 1.379 1.00 0.00 N ATOM 0 H ARG A 11 -3.249 0.269 3.761 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.235 2.997 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.849 1.213 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.850 1.639 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.201 4.117 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.628 3.506 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.944 2.490 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.477 3.314 3.397 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.208 4.462 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.844 5.303 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.957 7.040 3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.219 6.658 0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.171 7.815 1.714 1.00 0.00 H new ATOM 212 N ASN A 12 -4.953 3.066 6.533 1.00 0.00 N ATOM 213 CA ASN A 12 -5.511 3.189 7.873 1.00 0.00 C ATOM 214 C ASN A 12 -6.491 2.051 8.162 1.00 0.00 C ATOM 215 O ASN A 12 -6.378 1.371 9.177 1.00 0.00 O ATOM 216 CB ASN A 12 -6.219 4.545 8.049 1.00 0.00 C ATOM 217 CG ASN A 12 -7.327 4.785 7.023 1.00 0.00 C ATOM 218 OD1 ASN A 12 -7.112 4.601 5.823 1.00 0.00 O ATOM 219 ND2 ASN A 12 -8.535 5.137 7.439 1.00 0.00 N ATOM 0 H ASN A 12 -5.287 3.784 5.890 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.686 3.129 8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.644 4.598 9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.482 5.345 7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.292 5.257 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.708 5.288 8.433 1.00 0.00 H new ATOM 226 N ARG A 13 -7.496 1.901 7.298 1.00 0.00 N ATOM 227 CA ARG A 13 -8.673 1.089 7.579 1.00 0.00 C ATOM 228 C ARG A 13 -8.376 -0.387 7.329 1.00 0.00 C ATOM 229 O ARG A 13 -8.466 -1.215 8.232 1.00 0.00 O ATOM 230 CB ARG A 13 -9.903 1.611 6.805 1.00 0.00 C ATOM 231 CG ARG A 13 -9.682 2.020 5.334 1.00 0.00 C ATOM 232 CD ARG A 13 -10.933 2.678 4.736 1.00 0.00 C ATOM 233 NE ARG A 13 -12.068 1.748 4.655 1.00 0.00 N ATOM 234 CZ ARG A 13 -12.257 0.826 3.697 1.00 0.00 C ATOM 235 NH1 ARG A 13 -11.371 0.672 2.711 1.00 0.00 N ATOM 236 NH2 ARG A 13 -13.335 0.049 3.741 1.00 0.00 N ATOM 0 H ARG A 13 -7.513 2.344 6.379 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.926 1.177 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.672 0.839 6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.300 2.473 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.841 2.711 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.417 1.140 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.214 3.538 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.702 3.053 3.739 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.773 1.808 5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.537 1.259 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.528 -0.032 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.010 0.156 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.487 -0.654 3.018 1.00 0.00 H new ATOM 250 N PHE A 14 -8.012 -0.700 6.091 1.00 0.00 N ATOM 251 CA PHE A 14 -7.517 -2.012 5.723 1.00 0.00 C ATOM 252 C PHE A 14 -6.124 -2.171 6.331 1.00 0.00 C ATOM 253 O PHE A 14 -5.365 -1.200 6.356 1.00 0.00 O ATOM 254 CB PHE A 14 -7.468 -2.109 4.189 1.00 0.00 C ATOM 255 CG PHE A 14 -6.362 -2.994 3.655 1.00 0.00 C ATOM 256 CD1 PHE A 14 -5.049 -2.492 3.563 1.00 0.00 C ATOM 257 CD2 PHE A 14 -6.605 -4.363 3.459 1.00 0.00 C ATOM 258 CE1 PHE A 14 -3.988 -3.358 3.264 1.00 0.00 C ATOM 259 CE2 PHE A 14 -5.553 -5.215 3.101 1.00 0.00 C ATOM 260 CZ PHE A 14 -4.263 -4.693 2.940 1.00 0.00 C ATOM 0 H PHE A 14 -8.054 -0.043 5.312 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.165 -2.806 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.425 -2.487 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.346 -1.107 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.860 -1.441 3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.602 -4.758 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.969 -3.000 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.735 -6.269 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.473 -5.326 2.563 1.00 0.00 H new ATOM 270 N LYS A 15 -5.764 -3.389 6.732 1.00 0.00 N ATOM 271 CA LYS A 15 -4.401 -3.766 7.056 1.00 0.00 C ATOM 272 C LYS A 15 -4.211 -5.255 6.756 1.00 0.00 C ATOM 273 O LYS A 15 -5.180 -6.014 6.720 1.00 0.00 O ATOM 274 CB LYS A 15 -4.082 -3.394 8.512 1.00 0.00 C ATOM 275 CG LYS A 15 -5.154 -3.855 9.514 1.00 0.00 C ATOM 276 CD LYS A 15 -4.905 -3.312 10.926 1.00 0.00 C ATOM 277 CE LYS A 15 -3.711 -3.982 11.621 1.00 0.00 C ATOM 278 NZ LYS A 15 -3.407 -3.337 12.909 1.00 0.00 N ATOM 0 H LYS A 15 -6.431 -4.153 6.841 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.691 -3.216 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.124 -3.834 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.969 -2.312 8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.135 -3.527 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.174 -4.944 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.731 -2.237 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.800 -3.460 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.928 -5.038 11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.836 -3.933 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.596 -3.813 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.176 -2.336 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.234 -3.406 13.536 1.00 0.00 H new ATOM 292 N TRP A 16 -2.967 -5.678 6.533 1.00 0.00 N ATOM 293 CA TRP A 16 -2.646 -7.084 6.342 1.00 0.00 C ATOM 294 C TRP A 16 -2.798 -7.812 7.679 1.00 0.00 C ATOM 295 O TRP A 16 -2.216 -7.373 8.673 1.00 0.00 O ATOM 296 CB TRP A 16 -1.222 -7.214 5.792 1.00 0.00 C ATOM 297 CG TRP A 16 -0.990 -6.552 4.468 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.236 -5.452 4.238 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.545 -6.927 3.175 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.290 -5.119 2.901 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.092 -5.989 2.202 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.400 -7.954 2.727 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.503 -6.036 0.867 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.765 -8.047 1.373 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.357 -7.066 0.452 1.00 0.00 C ATOM 0 H TRP A 16 -2.160 -5.056 6.481 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.326 -7.537 5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.528 -6.791 6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -0.980 -8.273 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.324 -4.915 4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.202 -4.329 2.484 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.779 -8.678 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.167 -5.288 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.365 -8.880 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.701 -7.106 -0.571 1.00 0.00 H new ATOM 316 N GLY A 17 -3.591 -8.881 7.713 1.00 0.00 N ATOM 317 CA GLY A 17 -3.836 -9.690 8.895 1.00 0.00 C ATOM 318 C GLY A 17 -2.954 -10.930 8.916 1.00 0.00 C ATOM 319 O GLY A 17 -2.183 -11.170 7.986 1.00 0.00 O ATOM 0 H GLY A 17 -4.094 -9.215 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.650 -9.095 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.884 -9.988 8.922 1.00 0.00 H new ATOM 323 N PRO A 18 -3.018 -11.703 10.009 1.00 0.00 N ATOM 324 CA PRO A 18 -2.062 -12.755 10.314 1.00 0.00 C ATOM 325 C PRO A 18 -2.047 -13.866 9.270 1.00 0.00 C ATOM 326 O PRO A 18 -0.981 -14.381 8.927 1.00 0.00 O ATOM 327 CB PRO A 18 -2.432 -13.267 11.711 1.00 0.00 C ATOM 328 CG PRO A 18 -3.896 -12.857 11.874 1.00 0.00 C ATOM 329 CD PRO A 18 -3.991 -11.561 11.078 1.00 0.00 C ATOM 0 HA PRO A 18 -1.044 -12.367 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.308 -14.347 11.787 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.803 -12.819 12.481 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.572 -13.618 11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.156 -12.705 12.921 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.995 -11.415 10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.767 -10.697 11.703 1.00 0.00 H new ATOM 337 N ALA A 19 -3.231 -14.221 8.779 1.00 0.00 N ATOM 338 CA ALA A 19 -3.409 -15.287 7.807 1.00 0.00 C ATOM 339 C ALA A 19 -3.303 -14.685 6.414 1.00 0.00 C ATOM 340 O ALA A 19 -2.688 -15.282 5.539 1.00 0.00 O ATOM 341 CB ALA A 19 -4.719 -16.040 8.038 1.00 0.00 C ATOM 0 H ALA A 19 -4.104 -13.768 9.051 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.626 -16.037 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.821 -16.830 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.715 -16.479 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.557 -15.348 7.949 1.00 0.00 H new ATOM 347 N SER A 20 -3.798 -13.462 6.230 1.00 0.00 N ATOM 348 CA SER A 20 -3.482 -12.640 5.076 1.00 0.00 C ATOM 349 C SER A 20 -1.977 -12.703 4.747 1.00 0.00 C ATOM 350 O SER A 20 -1.589 -12.916 3.596 1.00 0.00 O ATOM 351 CB SER A 20 -3.944 -11.203 5.358 1.00 0.00 C ATOM 352 OG SER A 20 -4.847 -11.133 6.453 1.00 0.00 O ATOM 0 H SER A 20 -4.436 -13.015 6.888 1.00 0.00 H new ATOM 0 HA SER A 20 -4.007 -13.017 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.075 -10.578 5.566 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.424 -10.796 4.468 1.00 0.00 H new ATOM 0 HG SER A 20 -5.621 -10.586 6.204 1.00 0.00 H new ATOM 358 N GLN A 21 -1.106 -12.558 5.760 1.00 0.00 N ATOM 359 CA GLN A 21 0.334 -12.660 5.537 1.00 0.00 C ATOM 360 C GLN A 21 0.704 -13.963 4.836 1.00 0.00 C ATOM 361 O GLN A 21 1.654 -13.986 4.072 1.00 0.00 O ATOM 362 CB GLN A 21 1.192 -12.634 6.809 1.00 0.00 C ATOM 363 CG GLN A 21 0.934 -11.576 7.877 1.00 0.00 C ATOM 364 CD GLN A 21 0.802 -10.145 7.367 1.00 0.00 C ATOM 365 OE1 GLN A 21 0.084 -9.334 7.944 1.00 0.00 O ATOM 366 NE2 GLN A 21 1.510 -9.788 6.302 1.00 0.00 N ATOM 0 H GLN A 21 -1.375 -12.372 6.726 1.00 0.00 H new ATOM 0 HA GLN A 21 0.546 -11.776 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.094 -13.609 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.232 -12.535 6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.020 -11.839 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.747 -11.611 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.103 -10.471 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.461 -8.830 5.955 1.00 0.00 H new ATOM 375 N GLN A 22 0.021 -15.058 5.144 1.00 0.00 N ATOM 376 CA GLN A 22 0.369 -16.375 4.645 1.00 0.00 C ATOM 377 C GLN A 22 -0.074 -16.555 3.196 1.00 0.00 C ATOM 378 O GLN A 22 0.209 -17.585 2.597 1.00 0.00 O ATOM 379 CB GLN A 22 -0.219 -17.415 5.613 1.00 0.00 C ATOM 380 CG GLN A 22 0.117 -18.867 5.273 1.00 0.00 C ATOM 381 CD GLN A 22 -0.115 -19.765 6.478 1.00 0.00 C ATOM 382 OE1 GLN A 22 0.805 -20.037 7.240 1.00 0.00 O ATOM 383 NE2 GLN A 22 -1.348 -20.209 6.687 1.00 0.00 N ATOM 0 H GLN A 22 -0.797 -15.053 5.753 1.00 0.00 H new ATOM 0 HA GLN A 22 1.450 -16.509 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.141 -17.199 6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.303 -17.302 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.498 -19.203 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.156 -18.940 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.095 -19.967 6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.549 -20.793 7.499 1.00 0.00 H new ATOM 392 N ILE A 23 -0.737 -15.566 2.602 1.00 0.00 N ATOM 393 CA ILE A 23 -0.895 -15.513 1.161 1.00 0.00 C ATOM 394 C ILE A 23 0.247 -14.643 0.643 1.00 0.00 C ATOM 395 O ILE A 23 1.003 -15.059 -0.233 1.00 0.00 O ATOM 396 CB ILE A 23 -2.283 -14.972 0.806 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.381 -16.003 1.099 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.357 -14.621 -0.685 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.577 -16.332 2.573 1.00 0.00 C ATOM 0 H ILE A 23 -1.172 -14.791 3.102 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.840 -16.496 0.693 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.442 -14.084 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.324 -15.632 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.146 -16.924 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.350 -14.238 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.611 -13.861 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.163 -15.514 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.373 -17.069 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.651 -16.737 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.847 -15.426 3.115 1.00 0.00 H new ATOM 411 N LEU A 24 0.388 -13.448 1.226 1.00 0.00 N ATOM 412 CA LEU A 24 1.408 -12.478 0.854 1.00 0.00 C ATOM 413 C LEU A 24 2.773 -13.155 0.718 1.00 0.00 C ATOM 414 O LEU A 24 3.407 -13.120 -0.336 1.00 0.00 O ATOM 415 CB LEU A 24 1.515 -11.408 1.945 1.00 0.00 C ATOM 416 CG LEU A 24 0.379 -10.390 2.018 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.794 -9.295 3.010 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.085 -9.798 0.641 1.00 0.00 C ATOM 0 H LEU A 24 -0.217 -13.128 1.982 1.00 0.00 H new ATOM 0 HA LEU A 24 1.124 -12.033 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.584 -11.911 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.449 -10.866 1.800 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.537 -10.874 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.001 -8.551 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.968 -9.739 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.709 -8.816 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.728 -9.076 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.977 -9.299 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.204 -10.595 -0.044 1.00 0.00 H new ATOM 430 N PHE A 25 3.232 -13.745 1.820 1.00 0.00 N ATOM 431 CA PHE A 25 4.521 -14.391 1.906 1.00 0.00 C ATOM 432 C PHE A 25 4.587 -15.502 0.905 1.00 0.00 C ATOM 433 O PHE A 25 5.586 -15.629 0.207 1.00 0.00 O ATOM 434 CB PHE A 25 4.866 -14.859 3.328 1.00 0.00 C ATOM 435 CG PHE A 25 4.239 -16.051 4.031 1.00 0.00 C ATOM 436 CD1 PHE A 25 4.586 -17.354 3.629 1.00 0.00 C ATOM 437 CD2 PHE A 25 3.749 -15.859 5.342 1.00 0.00 C ATOM 438 CE1 PHE A 25 4.275 -18.457 4.442 1.00 0.00 C ATOM 439 CE2 PHE A 25 3.479 -16.957 6.177 1.00 0.00 C ATOM 440 CZ PHE A 25 3.720 -18.261 5.716 1.00 0.00 C ATOM 0 H PHE A 25 2.701 -13.783 2.690 1.00 0.00 H new ATOM 0 HA PHE A 25 5.287 -13.655 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.941 -15.042 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.687 -14.001 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.095 -17.507 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.580 -14.857 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.464 -19.459 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.087 -16.798 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.479 -19.110 6.339 1.00 0.00 H new ATOM 450 N GLN A 26 3.530 -16.309 0.862 1.00 0.00 N ATOM 451 CA GLN A 26 3.665 -17.559 0.172 1.00 0.00 C ATOM 452 C GLN A 26 3.860 -17.307 -1.327 1.00 0.00 C ATOM 453 O GLN A 26 4.485 -18.097 -2.024 1.00 0.00 O ATOM 454 CB GLN A 26 2.546 -18.546 0.533 1.00 0.00 C ATOM 455 CG GLN A 26 1.375 -18.559 -0.444 1.00 0.00 C ATOM 456 CD GLN A 26 0.493 -19.773 -0.195 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.593 -20.764 -0.915 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.337 -19.738 0.836 1.00 0.00 N ATOM 0 H GLN A 26 2.618 -16.122 1.279 1.00 0.00 H new ATOM 0 HA GLN A 26 4.567 -18.068 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.968 -19.550 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.171 -18.303 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.789 -17.647 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.747 -18.575 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.397 -18.900 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.917 -20.549 1.052 1.00 0.00 H new ATOM 467 N ALA A 27 3.290 -16.215 -1.839 1.00 0.00 N ATOM 468 CA ALA A 27 3.549 -15.779 -3.201 1.00 0.00 C ATOM 469 C ALA A 27 4.919 -15.106 -3.288 1.00 0.00 C ATOM 470 O ALA A 27 5.711 -15.473 -4.145 1.00 0.00 O ATOM 471 CB ALA A 27 2.445 -14.832 -3.660 1.00 0.00 C ATOM 0 H ALA A 27 2.644 -15.618 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 27 3.556 -16.646 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.645 -14.508 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.485 -15.347 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.415 -13.962 -3.003 1.00 0.00 H new ATOM 477 N TYR A 28 5.218 -14.132 -2.422 1.00 0.00 N ATOM 478 CA TYR A 28 6.486 -13.401 -2.458 1.00 0.00 C ATOM 479 C TYR A 28 7.706 -14.325 -2.426 1.00 0.00 C ATOM 480 O TYR A 28 8.742 -13.990 -2.995 1.00 0.00 O ATOM 481 CB TYR A 28 6.503 -12.394 -1.304 1.00 0.00 C ATOM 482 CG TYR A 28 7.817 -11.706 -0.977 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.544 -11.022 -1.969 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.262 -11.669 0.358 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.698 -10.296 -1.625 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.414 -10.943 0.700 1.00 0.00 C ATOM 487 CZ TYR A 28 10.124 -10.245 -0.287 1.00 0.00 C ATOM 488 OH TYR A 28 11.218 -9.516 0.067 1.00 0.00 O ATOM 0 H TYR A 28 4.588 -13.830 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 28 6.555 -12.871 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.767 -11.621 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.164 -12.910 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.215 -11.055 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.715 -12.201 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.257 -9.777 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.754 -10.922 1.725 1.00 0.00 H new ATOM 0 HH TYR A 28 11.679 -9.205 -0.740 1.00 0.00 H new ATOM 498 N GLU A 29 7.578 -15.460 -1.747 1.00 0.00 N ATOM 499 CA GLU A 29 8.459 -16.608 -1.849 1.00 0.00 C ATOM 500 C GLU A 29 8.646 -16.969 -3.332 1.00 0.00 C ATOM 501 O GLU A 29 9.698 -16.704 -3.912 1.00 0.00 O ATOM 502 CB GLU A 29 7.791 -17.720 -1.020 1.00 0.00 C ATOM 503 CG GLU A 29 8.343 -19.145 -1.131 1.00 0.00 C ATOM 504 CD GLU A 29 7.194 -20.132 -1.017 1.00 0.00 C ATOM 505 OE1 GLU A 29 6.439 -20.068 -0.026 1.00 0.00 O ATOM 506 OE2 GLU A 29 6.941 -20.864 -1.992 1.00 0.00 O ATOM 0 H GLU A 29 6.820 -15.607 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 29 9.462 -16.427 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.839 -17.426 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.737 -17.750 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.858 -19.276 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.075 -19.327 -0.344 1.00 0.00 H new ATOM 513 N ARG A 30 7.631 -17.593 -3.932 1.00 0.00 N ATOM 514 CA ARG A 30 7.723 -18.201 -5.249 1.00 0.00 C ATOM 515 C ARG A 30 7.572 -17.161 -6.365 1.00 0.00 C ATOM 516 O ARG A 30 8.500 -16.885 -7.126 1.00 0.00 O ATOM 517 CB ARG A 30 6.727 -19.373 -5.342 1.00 0.00 C ATOM 518 CG ARG A 30 5.241 -19.016 -5.195 1.00 0.00 C ATOM 519 CD ARG A 30 4.386 -20.225 -4.797 1.00 0.00 C ATOM 520 NE ARG A 30 4.693 -20.667 -3.424 1.00 0.00 N ATOM 521 CZ ARG A 30 3.821 -21.031 -2.474 1.00 0.00 C ATOM 522 NH1 ARG A 30 2.531 -21.197 -2.788 1.00 0.00 N ATOM 523 NH2 ARG A 30 4.235 -21.223 -1.222 1.00 0.00 N ATOM 0 H ARG A 30 6.710 -17.689 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 30 8.720 -18.616 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.867 -19.865 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.982 -20.101 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.131 -18.233 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.873 -18.608 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.330 -19.967 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.563 -21.044 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 30 5.680 -20.699 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.216 -21.047 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.863 -21.474 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.218 -21.093 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.569 -21.500 -0.501 1.00 0.00 H new ATOM 537 N GLN A 31 6.387 -16.568 -6.477 1.00 0.00 N ATOM 538 CA GLN A 31 6.074 -15.518 -7.423 1.00 0.00 C ATOM 539 C GLN A 31 6.644 -14.202 -6.884 1.00 0.00 C ATOM 540 O GLN A 31 5.919 -13.292 -6.493 1.00 0.00 O ATOM 541 CB GLN A 31 4.555 -15.469 -7.639 1.00 0.00 C ATOM 542 CG GLN A 31 4.041 -16.644 -8.487 1.00 0.00 C ATOM 543 CD GLN A 31 2.532 -16.848 -8.346 1.00 0.00 C ATOM 544 OE1 GLN A 31 2.070 -17.262 -7.289 1.00 0.00 O ATOM 545 NE2 GLN A 31 1.762 -16.601 -9.403 1.00 0.00 N ATOM 0 H GLN A 31 5.594 -16.819 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 31 6.526 -15.704 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.054 -15.477 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.291 -14.531 -8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.285 -16.467 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.558 -17.557 -8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.179 -16.257 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.755 -16.756 -9.348 1.00 0.00 H new ATOM 554 N LYS A 32 7.972 -14.092 -6.895 1.00 0.00 N ATOM 555 CA LYS A 32 8.685 -12.899 -6.465 1.00 0.00 C ATOM 556 C LYS A 32 8.201 -11.634 -7.184 1.00 0.00 C ATOM 557 O LYS A 32 8.262 -10.552 -6.601 1.00 0.00 O ATOM 558 CB LYS A 32 10.196 -13.101 -6.683 1.00 0.00 C ATOM 559 CG LYS A 32 10.892 -13.696 -5.449 1.00 0.00 C ATOM 560 CD LYS A 32 11.300 -12.571 -4.481 1.00 0.00 C ATOM 561 CE LYS A 32 11.942 -13.115 -3.193 1.00 0.00 C ATOM 562 NZ LYS A 32 12.758 -12.087 -2.505 1.00 0.00 N ATOM 0 H LYS A 32 8.588 -14.842 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 32 8.480 -12.751 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.352 -13.759 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.656 -12.144 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.224 -14.395 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.773 -14.261 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.001 -11.902 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.422 -11.979 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.161 -13.469 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.568 -13.974 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.777 -12.285 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.728 -12.106 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.342 -11.148 -2.668 1.00 0.00 H new ATOM 576 N ASN A 33 7.807 -11.741 -8.458 1.00 0.00 N ATOM 577 CA ASN A 33 7.435 -10.620 -9.310 1.00 0.00 C ATOM 578 C ASN A 33 6.025 -10.828 -9.887 1.00 0.00 C ATOM 579 O ASN A 33 5.675 -11.969 -10.193 1.00 0.00 O ATOM 580 CB ASN A 33 8.459 -10.490 -10.437 1.00 0.00 C ATOM 581 CG ASN A 33 8.107 -11.363 -11.633 1.00 0.00 C ATOM 582 OD1 ASN A 33 7.409 -10.918 -12.541 1.00 0.00 O ATOM 583 ND2 ASN A 33 8.534 -12.618 -11.640 1.00 0.00 N ATOM 0 H ASN A 33 7.738 -12.641 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 33 7.426 -9.703 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.519 -9.449 -10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.445 -10.767 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.284 -13.237 -12.411 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.112 -12.964 -10.875 1.00 0.00 H new ATOM 590 N PRO A 34 5.235 -9.760 -10.082 1.00 0.00 N ATOM 591 CA PRO A 34 3.822 -9.880 -10.379 1.00 0.00 C ATOM 592 C PRO A 34 3.545 -9.952 -11.873 1.00 0.00 C ATOM 593 O PRO A 34 3.359 -8.914 -12.513 1.00 0.00 O ATOM 594 CB PRO A 34 3.200 -8.626 -9.763 1.00 0.00 C ATOM 595 CG PRO A 34 4.282 -7.565 -9.955 1.00 0.00 C ATOM 596 CD PRO A 34 5.564 -8.377 -9.769 1.00 0.00 C ATOM 0 HA PRO A 34 3.405 -10.803 -9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.272 -8.350 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.962 -8.771 -8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.231 -7.105 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.199 -6.761 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.353 -8.009 -10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.932 -8.289 -8.747 1.00 0.00 H new ATOM 604 N SER A 35 3.475 -11.152 -12.452 1.00 0.00 N ATOM 605 CA SER A 35 3.024 -11.259 -13.828 1.00 0.00 C ATOM 606 C SER A 35 1.525 -10.951 -13.923 1.00 0.00 C ATOM 607 O SER A 35 1.120 -9.824 -14.217 1.00 0.00 O ATOM 608 CB SER A 35 3.399 -12.617 -14.436 1.00 0.00 C ATOM 609 OG SER A 35 3.441 -13.643 -13.456 1.00 0.00 O ATOM 0 H SER A 35 3.718 -12.034 -12.001 1.00 0.00 H new ATOM 0 HA SER A 35 3.542 -10.511 -14.428 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.676 -12.881 -15.207 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.371 -12.541 -14.923 1.00 0.00 H new ATOM 0 HG SER A 35 3.681 -14.492 -13.882 1.00 0.00 H new ATOM 615 N LYS A 36 0.690 -11.973 -13.770 1.00 0.00 N ATOM 616 CA LYS A 36 -0.730 -11.916 -14.085 1.00 0.00 C ATOM 617 C LYS A 36 -1.507 -12.438 -12.879 1.00 0.00 C ATOM 618 O LYS A 36 -1.598 -11.730 -11.877 1.00 0.00 O ATOM 619 CB LYS A 36 -0.992 -12.710 -15.383 1.00 0.00 C ATOM 620 CG LYS A 36 -0.993 -11.858 -16.661 1.00 0.00 C ATOM 621 CD LYS A 36 0.376 -11.345 -17.138 1.00 0.00 C ATOM 622 CE LYS A 36 0.406 -9.855 -17.526 1.00 0.00 C ATOM 623 NZ LYS A 36 -0.114 -8.953 -16.479 1.00 0.00 N ATOM 0 H LYS A 36 0.989 -12.882 -13.416 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.068 -10.897 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.232 -13.486 -15.479 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.954 -13.215 -15.297 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.437 -12.446 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.643 -10.998 -16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.108 -11.515 -16.348 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.691 -11.937 -17.998 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.432 -9.571 -17.759 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.178 -9.715 -18.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.328 -8.017 -16.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.145 -8.862 -16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.108 -9.345 -15.542 1.00 0.00 H new ATOM 637 N GLU A 37 -2.014 -13.671 -12.977 1.00 0.00 N ATOM 638 CA GLU A 37 -2.890 -14.287 -12.002 1.00 0.00 C ATOM 639 C GLU A 37 -2.302 -14.132 -10.613 1.00 0.00 C ATOM 640 O GLU A 37 -3.068 -13.819 -9.727 1.00 0.00 O ATOM 641 CB GLU A 37 -3.165 -15.746 -12.397 1.00 0.00 C ATOM 642 CG GLU A 37 -4.661 -16.072 -12.298 1.00 0.00 C ATOM 643 CD GLU A 37 -4.987 -17.250 -13.180 1.00 0.00 C ATOM 644 OE1 GLU A 37 -5.082 -17.010 -14.401 1.00 0.00 O ATOM 645 OE2 GLU A 37 -5.077 -18.378 -12.657 1.00 0.00 O ATOM 0 H GLU A 37 -1.812 -14.281 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.857 -13.785 -11.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.818 -15.922 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.600 -16.415 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.926 -16.296 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.252 -15.207 -12.599 1.00 0.00 H new ATOM 652 N GLU A 38 -0.981 -14.254 -10.447 1.00 0.00 N ATOM 653 CA GLU A 38 -0.239 -13.885 -9.241 1.00 0.00 C ATOM 654 C GLU A 38 -0.987 -12.853 -8.401 1.00 0.00 C ATOM 655 O GLU A 38 -1.373 -13.114 -7.263 1.00 0.00 O ATOM 656 CB GLU A 38 1.145 -13.349 -9.678 1.00 0.00 C ATOM 657 CG GLU A 38 2.142 -12.991 -8.554 1.00 0.00 C ATOM 658 CD GLU A 38 2.043 -11.575 -8.002 1.00 0.00 C ATOM 659 OE1 GLU A 38 1.371 -10.746 -8.644 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.725 -11.248 -7.006 1.00 0.00 O ATOM 0 H GLU A 38 -0.377 -14.628 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.122 -14.764 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.611 -14.097 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.987 -12.459 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.999 -13.692 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.154 -13.144 -8.930 1.00 0.00 H new ATOM 667 N ARG A 39 -1.208 -11.677 -8.972 1.00 0.00 N ATOM 668 CA ARG A 39 -1.635 -10.542 -8.194 1.00 0.00 C ATOM 669 C ARG A 39 -3.108 -10.689 -7.851 1.00 0.00 C ATOM 670 O ARG A 39 -3.510 -10.561 -6.700 1.00 0.00 O ATOM 671 CB ARG A 39 -1.347 -9.273 -9.013 1.00 0.00 C ATOM 672 CG ARG A 39 -1.494 -7.988 -8.199 1.00 0.00 C ATOM 673 CD ARG A 39 -0.795 -6.809 -8.884 1.00 0.00 C ATOM 674 NE ARG A 39 -0.861 -6.861 -10.355 1.00 0.00 N ATOM 675 CZ ARG A 39 -1.841 -6.365 -11.120 1.00 0.00 C ATOM 676 NH1 ARG A 39 -3.031 -6.091 -10.587 1.00 0.00 N ATOM 677 NH2 ARG A 39 -1.580 -6.167 -12.407 1.00 0.00 N ATOM 0 H ARG A 39 -1.097 -11.493 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.094 -10.476 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.335 -9.328 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.026 -9.236 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.551 -7.759 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.072 -8.135 -7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.248 -5.879 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.250 -6.787 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.086 -7.318 -10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.196 -6.259 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.777 -5.713 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.658 -6.392 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.302 -5.790 -13.022 1.00 0.00 H new ATOM 691 N GLU A 40 -3.913 -10.943 -8.876 1.00 0.00 N ATOM 692 CA GLU A 40 -5.311 -11.307 -8.763 1.00 0.00 C ATOM 693 C GLU A 40 -5.601 -12.380 -7.697 1.00 0.00 C ATOM 694 O GLU A 40 -6.312 -12.117 -6.729 1.00 0.00 O ATOM 695 CB GLU A 40 -5.921 -11.451 -10.163 1.00 0.00 C ATOM 696 CG GLU A 40 -5.025 -11.031 -11.346 1.00 0.00 C ATOM 697 CD GLU A 40 -5.803 -10.828 -12.627 1.00 0.00 C ATOM 698 OE1 GLU A 40 -6.917 -10.262 -12.552 1.00 0.00 O ATOM 699 OE2 GLU A 40 -5.223 -11.099 -13.695 1.00 0.00 O ATOM 0 H GLU A 40 -3.593 -10.898 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.882 -10.494 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.209 -12.493 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.836 -10.859 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.505 -10.107 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.262 -11.793 -11.506 1.00 0.00 H new ATOM 706 N THR A 41 -4.928 -13.519 -7.808 1.00 0.00 N ATOM 707 CA THR A 41 -4.789 -14.563 -6.806 1.00 0.00 C ATOM 708 C THR A 41 -4.517 -13.919 -5.458 1.00 0.00 C ATOM 709 O THR A 41 -5.254 -14.129 -4.506 1.00 0.00 O ATOM 710 CB THR A 41 -3.627 -15.501 -7.194 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.073 -16.515 -8.074 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.875 -16.125 -6.015 1.00 0.00 C ATOM 0 H THR A 41 -4.429 -13.752 -8.666 1.00 0.00 H new ATOM 0 HA THR A 41 -5.706 -15.149 -6.748 1.00 0.00 H new ATOM 0 HB THR A 41 -2.905 -14.855 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.321 -17.098 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.078 -16.767 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.445 -15.335 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.566 -16.717 -5.415 1.00 0.00 H new ATOM 720 N LEU A 42 -3.444 -13.148 -5.360 1.00 0.00 N ATOM 721 CA LEU A 42 -3.031 -12.578 -4.097 1.00 0.00 C ATOM 722 C LEU A 42 -4.173 -11.783 -3.478 1.00 0.00 C ATOM 723 O LEU A 42 -4.341 -11.845 -2.261 1.00 0.00 O ATOM 724 CB LEU A 42 -1.762 -11.744 -4.291 1.00 0.00 C ATOM 725 CG LEU A 42 -0.484 -12.519 -3.929 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.628 -12.244 -4.945 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.014 -12.114 -2.529 1.00 0.00 C ATOM 0 H LEU A 42 -2.844 -12.905 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.786 -13.374 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.702 -11.416 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.824 -10.846 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.711 -13.585 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.521 -12.803 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.299 -12.554 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.856 -11.178 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.892 -12.665 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.195 -11.044 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.794 -12.344 -1.803 1.00 0.00 H new ATOM 739 N VAL A 43 -4.946 -11.031 -4.269 1.00 0.00 N ATOM 740 CA VAL A 43 -6.149 -10.391 -3.756 1.00 0.00 C ATOM 741 C VAL A 43 -7.152 -11.436 -3.281 1.00 0.00 C ATOM 742 O VAL A 43 -7.522 -11.413 -2.114 1.00 0.00 O ATOM 743 CB VAL A 43 -6.821 -9.435 -4.754 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.740 -8.503 -3.957 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.834 -8.561 -5.516 1.00 0.00 C ATOM 0 H VAL A 43 -4.758 -10.855 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.821 -9.779 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.351 -10.046 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.234 -7.810 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.491 -9.094 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.150 -7.942 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.378 -7.912 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.268 -7.952 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.149 -9.193 -6.081 1.00 0.00 H new ATOM 755 N GLU A 44 -7.600 -12.317 -4.173 1.00 0.00 N ATOM 756 CA GLU A 44 -8.580 -13.353 -3.932 1.00 0.00 C ATOM 757 C GLU A 44 -8.289 -14.071 -2.628 1.00 0.00 C ATOM 758 O GLU A 44 -9.074 -14.042 -1.686 1.00 0.00 O ATOM 759 CB GLU A 44 -8.520 -14.312 -5.120 1.00 0.00 C ATOM 760 CG GLU A 44 -9.754 -14.245 -6.011 1.00 0.00 C ATOM 761 CD GLU A 44 -10.978 -14.891 -5.411 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.033 -15.041 -4.176 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.843 -15.305 -6.211 1.00 0.00 O ATOM 0 H GLU A 44 -7.264 -12.320 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.580 -12.930 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.637 -14.085 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.402 -15.331 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.976 -13.200 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.530 -14.728 -6.962 1.00 0.00 H new ATOM 770 N GLU A 45 -7.130 -14.706 -2.578 1.00 0.00 N ATOM 771 CA GLU A 45 -6.799 -15.640 -1.536 1.00 0.00 C ATOM 772 C GLU A 45 -6.622 -14.876 -0.219 1.00 0.00 C ATOM 773 O GLU A 45 -6.984 -15.361 0.852 1.00 0.00 O ATOM 774 CB GLU A 45 -5.561 -16.438 -1.972 1.00 0.00 C ATOM 775 CG GLU A 45 -5.887 -17.912 -2.204 1.00 0.00 C ATOM 776 CD GLU A 45 -6.962 -18.058 -3.264 1.00 0.00 C ATOM 777 OE1 GLU A 45 -6.650 -17.827 -4.449 1.00 0.00 O ATOM 778 OE2 GLU A 45 -8.109 -18.353 -2.867 1.00 0.00 O ATOM 0 H GLU A 45 -6.391 -14.581 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.595 -16.364 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.155 -16.007 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.787 -16.353 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.988 -18.445 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.223 -18.367 -1.272 1.00 0.00 H new ATOM 785 N CYS A 46 -6.073 -13.661 -0.279 1.00 0.00 N ATOM 786 CA CYS A 46 -6.023 -12.810 0.906 1.00 0.00 C ATOM 787 C CYS A 46 -7.446 -12.522 1.367 1.00 0.00 C ATOM 788 O CYS A 46 -7.751 -12.676 2.541 1.00 0.00 O ATOM 789 CB CYS A 46 -5.337 -11.471 0.626 1.00 0.00 C ATOM 790 SG CYS A 46 -3.558 -11.621 0.824 1.00 0.00 S ATOM 0 H CYS A 46 -5.665 -13.252 -1.120 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.451 -13.339 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.569 -11.141 -0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.721 -10.710 1.305 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.004 -11.788 -0.340 1.00 0.00 H new ATOM 796 N ASN A 47 -8.319 -12.088 0.455 1.00 0.00 N ATOM 797 CA ASN A 47 -9.723 -11.804 0.732 1.00 0.00 C ATOM 798 C ASN A 47 -10.385 -13.039 1.347 1.00 0.00 C ATOM 799 O ASN A 47 -11.129 -12.890 2.306 1.00 0.00 O ATOM 800 CB ASN A 47 -10.479 -11.288 -0.520 1.00 0.00 C ATOM 801 CG ASN A 47 -10.610 -9.761 -0.615 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.684 -9.044 0.384 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.597 -9.209 -1.822 1.00 0.00 N ATOM 0 H ASN A 47 -8.060 -11.922 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.774 -10.991 1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.965 -11.650 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.478 -11.725 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.648 -8.195 -1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.536 -9.799 -2.652 1.00 0.00 H new ATOM 810 N ARG A 48 -10.115 -14.253 0.853 1.00 0.00 N ATOM 811 CA ARG A 48 -10.579 -15.512 1.441 1.00 0.00 C ATOM 812 C ARG A 48 -10.135 -15.578 2.901 1.00 0.00 C ATOM 813 O ARG A 48 -10.941 -15.746 3.814 1.00 0.00 O ATOM 814 CB ARG A 48 -10.011 -16.709 0.654 1.00 0.00 C ATOM 815 CG ARG A 48 -10.424 -18.084 1.211 1.00 0.00 C ATOM 816 CD ARG A 48 -9.437 -19.177 0.782 1.00 0.00 C ATOM 817 NE ARG A 48 -9.390 -19.348 -0.680 1.00 0.00 N ATOM 818 CZ ARG A 48 -10.115 -20.211 -1.409 1.00 0.00 C ATOM 819 NH1 ARG A 48 -11.076 -20.935 -0.832 1.00 0.00 N ATOM 820 NH2 ARG A 48 -9.851 -20.335 -2.706 1.00 0.00 N ATOM 0 H ARG A 48 -9.554 -14.389 0.012 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.667 -15.556 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.339 -16.636 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.923 -16.643 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.470 -18.039 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.425 -18.336 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.441 -18.928 1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.720 -20.121 1.247 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.740 -18.750 -1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.261 -20.834 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.625 -21.590 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.108 -19.780 -3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.391 -20.986 -3.276 1.00 0.00 H new ATOM 834 N ALA A 49 -8.830 -15.470 3.125 1.00 0.00 N ATOM 835 CA ALA A 49 -8.271 -15.532 4.466 1.00 0.00 C ATOM 836 C ALA A 49 -8.914 -14.480 5.372 1.00 0.00 C ATOM 837 O ALA A 49 -9.262 -14.768 6.513 1.00 0.00 O ATOM 838 CB ALA A 49 -6.754 -15.374 4.400 1.00 0.00 C ATOM 0 H ALA A 49 -8.137 -15.338 2.388 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.492 -16.506 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.339 -15.421 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.331 -16.176 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.508 -14.412 3.951 1.00 0.00 H new ATOM 844 N GLU A 50 -9.111 -13.270 4.857 1.00 0.00 N ATOM 845 CA GLU A 50 -9.683 -12.164 5.601 1.00 0.00 C ATOM 846 C GLU A 50 -11.160 -12.484 5.888 1.00 0.00 C ATOM 847 O GLU A 50 -11.677 -12.227 6.975 1.00 0.00 O ATOM 848 CB GLU A 50 -9.467 -10.878 4.789 1.00 0.00 C ATOM 849 CG GLU A 50 -9.503 -9.585 5.613 1.00 0.00 C ATOM 850 CD GLU A 50 -8.328 -9.315 6.543 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.210 -9.827 6.333 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.544 -8.517 7.486 1.00 0.00 O ATOM 0 H GLU A 50 -8.872 -13.032 3.894 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.202 -12.013 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.504 -10.942 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.232 -10.821 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.585 -8.747 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.413 -9.593 6.213 1.00 0.00 H new ATOM 859 N CYS A 51 -11.841 -13.083 4.912 1.00 0.00 N ATOM 860 CA CYS A 51 -13.192 -13.612 5.049 1.00 0.00 C ATOM 861 C CYS A 51 -13.271 -14.563 6.229 1.00 0.00 C ATOM 862 O CYS A 51 -14.140 -14.402 7.083 1.00 0.00 O ATOM 863 CB CYS A 51 -13.747 -14.186 3.757 1.00 0.00 C ATOM 864 SG CYS A 51 -14.904 -15.532 4.064 1.00 0.00 S ATOM 0 H CYS A 51 -11.454 -13.216 3.978 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.856 -12.776 5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.248 -13.398 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -12.926 -14.547 3.138 1.00 0.00 H new ATOM 0 HG CYS A 51 -14.867 -16.371 3.072 1.00 0.00 H new ATOM 870 N ILE A 52 -12.324 -15.490 6.341 1.00 0.00 N ATOM 871 CA ILE A 52 -12.280 -16.412 7.460 1.00 0.00 C ATOM 872 C ILE A 52 -12.044 -15.588 8.729 1.00 0.00 C ATOM 873 O ILE A 52 -12.788 -15.720 9.701 1.00 0.00 O ATOM 874 CB ILE A 52 -11.220 -17.501 7.200 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.688 -18.384 6.026 1.00 0.00 C ATOM 876 CG2 ILE A 52 -10.970 -18.356 8.449 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.616 -19.360 5.531 1.00 0.00 C ATOM 0 H ILE A 52 -11.574 -15.619 5.662 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.218 -16.952 7.589 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.276 -17.018 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.568 -18.949 6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -11.994 -17.743 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.217 -19.113 8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.617 -17.720 9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.898 -18.844 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.014 -19.949 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.744 -18.801 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.326 -20.025 6.344 1.00 0.00 H new ATOM 889 N GLN A 53 -11.071 -14.675 8.695 1.00 0.00 N ATOM 890 CA GLN A 53 -10.734 -13.807 9.823 1.00 0.00 C ATOM 891 C GLN A 53 -11.935 -13.020 10.365 1.00 0.00 C ATOM 892 O GLN A 53 -11.854 -12.503 11.486 1.00 0.00 O ATOM 893 CB GLN A 53 -9.597 -12.837 9.467 1.00 0.00 C ATOM 894 CG GLN A 53 -8.242 -13.544 9.276 1.00 0.00 C ATOM 895 CD GLN A 53 -7.243 -12.731 8.453 1.00 0.00 C ATOM 896 OE1 GLN A 53 -6.461 -13.269 7.679 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.237 -11.421 8.608 1.00 0.00 N ATOM 0 H GLN A 53 -10.488 -14.517 7.873 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.401 -14.478 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.855 -12.304 8.552 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.503 -12.090 10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.809 -13.754 10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.407 -14.504 8.787 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.892 -10.981 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.578 -10.848 8.081 1.00 0.00 H new ATOM 906 N ARG A 54 -13.036 -12.890 9.618 1.00 0.00 N ATOM 907 CA ARG A 54 -14.231 -12.245 10.140 1.00 0.00 C ATOM 908 C ARG A 54 -15.514 -12.964 9.737 1.00 0.00 C ATOM 909 O ARG A 54 -16.563 -12.331 9.622 1.00 0.00 O ATOM 910 CB ARG A 54 -14.220 -10.776 9.710 1.00 0.00 C ATOM 911 CG ARG A 54 -14.893 -9.932 10.796 1.00 0.00 C ATOM 912 CD ARG A 54 -14.612 -8.437 10.646 1.00 0.00 C ATOM 913 NE ARG A 54 -14.686 -7.977 9.254 1.00 0.00 N ATOM 914 CZ ARG A 54 -15.815 -7.864 8.537 1.00 0.00 C ATOM 915 NH1 ARG A 54 -16.980 -8.263 9.052 1.00 0.00 N ATOM 916 NH2 ARG A 54 -15.773 -7.352 7.308 1.00 0.00 N ATOM 0 H ARG A 54 -13.118 -13.222 8.657 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.216 -12.299 11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.196 -10.438 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.745 -10.658 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.970 -10.099 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.547 -10.265 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.328 -7.876 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.621 -8.217 11.043 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.811 -7.723 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.014 -8.655 9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.836 -8.176 8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.884 -7.046 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.630 -7.266 6.762 1.00 0.00 H new ATOM 930 N GLY A 55 -15.428 -14.280 9.542 1.00 0.00 N ATOM 931 CA GLY A 55 -16.543 -15.122 9.146 1.00 0.00 C ATOM 932 C GLY A 55 -17.470 -14.447 8.135 1.00 0.00 C ATOM 933 O GLY A 55 -18.686 -14.430 8.331 1.00 0.00 O ATOM 0 H GLY A 55 -14.557 -14.797 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.158 -16.047 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.117 -15.396 10.031 1.00 0.00 H new ATOM 937 N VAL A 56 -16.927 -13.878 7.058 1.00 0.00 N ATOM 938 CA VAL A 56 -17.768 -13.420 5.959 1.00 0.00 C ATOM 939 C VAL A 56 -18.263 -14.653 5.200 1.00 0.00 C ATOM 940 O VAL A 56 -17.746 -15.757 5.355 1.00 0.00 O ATOM 941 CB VAL A 56 -17.016 -12.435 5.040 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.863 -11.930 3.861 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.586 -11.189 5.810 1.00 0.00 C ATOM 0 H VAL A 56 -15.927 -13.726 6.926 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.622 -12.865 6.348 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.165 -13.004 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.272 -11.242 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.174 -12.776 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.745 -11.414 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.058 -10.511 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.466 -10.688 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.926 -11.477 6.628 1.00 0.00 H new ATOM 953 N SER A 57 -19.305 -14.455 4.405 1.00 0.00 N ATOM 954 CA SER A 57 -19.866 -15.446 3.506 1.00 0.00 C ATOM 955 C SER A 57 -18.763 -15.906 2.535 1.00 0.00 C ATOM 956 O SER A 57 -18.054 -15.057 1.989 1.00 0.00 O ATOM 957 CB SER A 57 -21.001 -14.766 2.744 1.00 0.00 C ATOM 958 OG SER A 57 -22.240 -15.336 3.109 1.00 0.00 O ATOM 0 H SER A 57 -19.800 -13.564 4.369 1.00 0.00 H new ATOM 0 HA SER A 57 -20.244 -16.317 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.006 -13.698 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.844 -14.873 1.671 1.00 0.00 H new ATOM 0 HG SER A 57 -22.962 -14.892 2.617 1.00 0.00 H new ATOM 964 N PRO A 58 -18.608 -17.208 2.268 1.00 0.00 N ATOM 965 CA PRO A 58 -17.463 -17.723 1.535 1.00 0.00 C ATOM 966 C PRO A 58 -17.398 -17.212 0.099 1.00 0.00 C ATOM 967 O PRO A 58 -16.322 -16.875 -0.392 1.00 0.00 O ATOM 968 CB PRO A 58 -17.574 -19.246 1.605 1.00 0.00 C ATOM 969 CG PRO A 58 -19.068 -19.483 1.831 1.00 0.00 C ATOM 970 CD PRO A 58 -19.480 -18.289 2.690 1.00 0.00 C ATOM 0 HA PRO A 58 -16.532 -17.373 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.227 -19.717 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.975 -19.656 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.619 -19.513 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.254 -20.429 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.529 -18.034 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.357 -18.505 3.751 1.00 0.00 H new ATOM 978 N SER A 59 -18.529 -17.135 -0.597 1.00 0.00 N ATOM 979 CA SER A 59 -18.539 -16.637 -1.970 1.00 0.00 C ATOM 980 C SER A 59 -18.513 -15.108 -2.004 1.00 0.00 C ATOM 981 O SER A 59 -18.618 -14.507 -3.074 1.00 0.00 O ATOM 982 CB SER A 59 -19.755 -17.185 -2.719 1.00 0.00 C ATOM 983 OG SER A 59 -20.957 -16.713 -2.134 1.00 0.00 O ATOM 0 H SER A 59 -19.443 -17.408 -0.237 1.00 0.00 H new ATOM 0 HA SER A 59 -17.637 -16.988 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.711 -16.883 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.739 -18.275 -2.701 1.00 0.00 H new ATOM 0 HG SER A 59 -21.724 -17.072 -2.627 1.00 0.00 H new ATOM 989 N GLN A 60 -18.471 -14.460 -0.840 1.00 0.00 N ATOM 990 CA GLN A 60 -18.547 -13.022 -0.695 1.00 0.00 C ATOM 991 C GLN A 60 -17.267 -12.565 -0.005 1.00 0.00 C ATOM 992 O GLN A 60 -17.309 -11.690 0.855 1.00 0.00 O ATOM 993 CB GLN A 60 -19.790 -12.684 0.137 1.00 0.00 C ATOM 994 CG GLN A 60 -20.227 -11.215 0.037 1.00 0.00 C ATOM 995 CD GLN A 60 -20.934 -10.803 1.321 1.00 0.00 C ATOM 996 OE1 GLN A 60 -20.512 -9.887 2.023 1.00 0.00 O ATOM 997 NE2 GLN A 60 -21.975 -11.534 1.684 1.00 0.00 N ATOM 0 H GLN A 60 -18.380 -14.946 0.052 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.635 -12.514 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.614 -13.320 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.592 -12.923 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -19.359 -10.578 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -20.893 -11.080 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -22.304 -12.288 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -22.449 -11.343 2.567 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.109 -13.109 -0.385 1.00 0.00 N ATOM 1007 CA ALA A 61 -14.863 -12.535 0.102 1.00 0.00 C ATOM 1008 C ALA A 61 -14.686 -11.110 -0.441 1.00 0.00 C ATOM 1009 O ALA A 61 -13.976 -10.300 0.146 1.00 0.00 O ATOM 1010 CB ALA A 61 -13.665 -13.442 -0.167 1.00 0.00 C ATOM 0 H ALA A 61 -16.012 -13.914 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.918 -12.459 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.759 -12.971 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.814 -14.399 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.565 -13.604 -1.240 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.423 -10.763 -1.500 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.560 -9.390 -1.956 1.00 0.00 C ATOM 1018 C GLN A 62 -16.600 -8.605 -1.144 1.00 0.00 C ATOM 1019 O GLN A 62 -16.986 -7.500 -1.533 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.819 -9.367 -3.473 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.746 -8.553 -4.208 1.00 0.00 C ATOM 1022 CD GLN A 62 -13.340 -9.133 -4.063 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -13.111 -10.089 -3.331 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -12.369 -8.571 -4.770 1.00 0.00 N ATOM 0 H GLN A 62 -15.942 -11.436 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.621 -8.867 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.832 -10.387 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.802 -8.939 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.002 -8.500 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.751 -7.532 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.573 -7.776 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.418 -8.934 -4.709 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.042 -9.122 0.003 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.694 -8.341 1.025 1.00 0.00 C ATOM 1035 C GLY A 63 -16.579 -7.574 1.700 1.00 0.00 C ATOM 1036 O GLY A 63 -15.993 -6.698 1.070 1.00 0.00 O ATOM 0 H GLY A 63 -16.950 -10.110 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.434 -7.666 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.220 -8.980 1.735 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.256 -7.967 2.933 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.149 -7.528 3.787 1.00 0.00 C ATOM 1042 C LEU A 64 -15.103 -6.030 4.132 1.00 0.00 C ATOM 1043 O LEU A 64 -14.821 -5.672 5.280 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.796 -8.079 3.309 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.460 -9.502 3.794 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -13.415 -9.688 5.312 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -14.246 -10.605 3.094 1.00 0.00 C ATOM 0 H LEU A 64 -16.820 -8.672 3.407 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.372 -7.983 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.783 -8.071 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.008 -7.403 3.642 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.425 -9.618 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.170 -10.724 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.655 -9.032 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.387 -9.440 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.949 -11.574 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.312 -10.455 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.040 -10.576 2.024 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.325 -5.155 3.158 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.572 -3.736 3.279 1.00 0.00 C ATOM 1061 C GLY A 65 -14.393 -3.011 3.899 1.00 0.00 C ATOM 1062 O GLY A 65 -13.441 -2.657 3.199 1.00 0.00 O ATOM 0 H GLY A 65 -15.336 -5.453 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.779 -3.318 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.461 -3.572 3.888 1.00 0.00 H new ATOM 1066 N SER A 66 -14.440 -2.789 5.210 1.00 0.00 N ATOM 1067 CA SER A 66 -13.335 -2.321 6.013 1.00 0.00 C ATOM 1068 C SER A 66 -12.076 -3.097 5.642 1.00 0.00 C ATOM 1069 O SER A 66 -11.049 -2.520 5.295 1.00 0.00 O ATOM 1070 CB SER A 66 -13.705 -2.567 7.477 1.00 0.00 C ATOM 1071 OG SER A 66 -14.082 -1.355 8.095 1.00 0.00 O ATOM 0 H SER A 66 -15.288 -2.939 5.756 1.00 0.00 H new ATOM 0 HA SER A 66 -13.142 -1.262 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.524 -3.284 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.858 -3.005 8.005 1.00 0.00 H new ATOM 0 HG SER A 66 -14.318 -1.525 9.031 1.00 0.00 H new ATOM 1077 N ASN A 67 -12.199 -4.417 5.716 1.00 0.00 N ATOM 1078 CA ASN A 67 -11.076 -5.331 5.645 1.00 0.00 C ATOM 1079 C ASN A 67 -10.633 -5.586 4.207 1.00 0.00 C ATOM 1080 O ASN A 67 -9.550 -6.116 3.996 1.00 0.00 O ATOM 1081 CB ASN A 67 -11.494 -6.668 6.248 1.00 0.00 C ATOM 1082 CG ASN A 67 -11.701 -6.656 7.750 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -12.756 -6.236 8.225 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -10.757 -7.175 8.519 1.00 0.00 N ATOM 0 H ASN A 67 -13.098 -4.885 5.829 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.247 -4.879 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.419 -6.991 5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.735 -7.412 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.896 -7.233 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.891 -7.517 8.103 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.492 -5.296 3.223 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.315 -5.780 1.858 1.00 0.00 C ATOM 1093 C LEU A 68 -9.938 -5.391 1.316 1.00 0.00 C ATOM 1094 O LEU A 68 -9.573 -4.211 1.349 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.424 -5.218 0.963 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.298 -5.708 -0.489 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -13.297 -6.821 -0.783 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.454 -4.546 -1.472 1.00 0.00 C ATOM 0 H LEU A 68 -12.324 -4.721 3.354 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.377 -6.868 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.395 -5.512 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.388 -4.129 0.982 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.298 -6.122 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.184 -7.147 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.112 -7.662 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.310 -6.451 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.361 -4.918 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.434 -4.087 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.678 -3.804 -1.284 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.212 -6.373 0.786 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.961 -6.161 0.082 1.00 0.00 C ATOM 1112 C VAL A 69 -8.248 -5.921 -1.406 1.00 0.00 C ATOM 1113 O VAL A 69 -9.293 -6.312 -1.921 1.00 0.00 O ATOM 1114 CB VAL A 69 -7.026 -7.352 0.336 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -7.605 -8.683 -0.134 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.654 -7.134 -0.297 1.00 0.00 C ATOM 0 H VAL A 69 -9.486 -7.354 0.838 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.450 -5.272 0.453 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.917 -7.408 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.895 -9.483 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.539 -8.880 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.796 -8.638 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.019 -7.997 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.766 -7.008 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.196 -6.241 0.127 1.00 0.00 H new ATOM 1126 N THR A 70 -7.330 -5.249 -2.098 1.00 0.00 N ATOM 1127 CA THR A 70 -7.426 -4.951 -3.519 1.00 0.00 C ATOM 1128 C THR A 70 -6.054 -5.153 -4.175 1.00 0.00 C ATOM 1129 O THR A 70 -5.029 -5.129 -3.495 1.00 0.00 O ATOM 1130 CB THR A 70 -7.940 -3.513 -3.690 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.062 -2.583 -3.077 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.306 -3.329 -3.031 1.00 0.00 C ATOM 0 H THR A 70 -6.477 -4.888 -1.671 1.00 0.00 H new ATOM 0 HA THR A 70 -8.129 -5.624 -4.010 1.00 0.00 H new ATOM 0 HB THR A 70 -8.005 -3.337 -4.764 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.227 -2.537 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.641 -2.301 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.025 -4.010 -3.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.228 -3.544 -1.965 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.008 -5.272 -5.496 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.767 -5.465 -6.239 1.00 0.00 C ATOM 1142 C GLU A 71 -3.762 -4.348 -5.969 1.00 0.00 C ATOM 1143 O GLU A 71 -2.622 -4.614 -5.601 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.063 -5.661 -7.726 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.249 -4.851 -8.250 1.00 0.00 C ATOM 1146 CD GLU A 71 -6.424 -4.985 -9.743 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -5.430 -4.831 -10.483 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -7.589 -5.202 -10.135 1.00 0.00 O ATOM 0 H GLU A 71 -6.838 -5.237 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.289 -6.378 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.175 -5.393 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.253 -6.719 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.160 -5.180 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.108 -3.800 -7.997 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.179 -3.087 -6.076 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.299 -1.970 -5.749 1.00 0.00 C ATOM 1157 C VAL A 72 -2.707 -2.117 -4.338 1.00 0.00 C ATOM 1158 O VAL A 72 -1.573 -1.716 -4.080 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.034 -0.634 -5.945 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.271 -0.477 -5.048 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.074 0.542 -5.729 1.00 0.00 C ATOM 0 H VAL A 72 -5.113 -2.816 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.454 -1.980 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.395 -0.634 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.739 0.488 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.982 -1.275 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.971 -0.533 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.610 1.480 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.673 0.503 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.255 0.480 -6.446 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.469 -2.704 -3.412 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.018 -2.934 -2.052 1.00 0.00 C ATOM 1173 C ARG A 73 -1.770 -3.807 -2.093 1.00 0.00 C ATOM 1174 O ARG A 73 -0.731 -3.448 -1.540 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.144 -3.607 -1.247 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.376 -3.027 0.143 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.877 -1.581 0.119 1.00 0.00 C ATOM 1178 NE ARG A 73 -6.034 -1.397 -0.773 1.00 0.00 N ATOM 1179 CZ ARG A 73 -6.559 -0.214 -1.117 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -6.022 0.904 -0.627 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -7.596 -0.191 -1.949 1.00 0.00 N ATOM 0 H ARG A 73 -4.418 -3.031 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.771 -1.991 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.071 -3.532 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.915 -4.668 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.100 -3.647 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.445 -3.072 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.151 -1.278 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.068 -0.925 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.469 -2.235 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.221 0.852 0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.412 1.811 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.977 -1.064 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.010 0.700 -2.223 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.866 -4.953 -2.759 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.749 -5.873 -2.815 1.00 0.00 C ATOM 1197 C VAL A 74 0.389 -5.249 -3.617 1.00 0.00 C ATOM 1198 O VAL A 74 1.537 -5.291 -3.192 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.214 -7.271 -3.250 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -1.138 -7.551 -4.748 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -0.418 -8.337 -2.496 1.00 0.00 C ATOM 0 H VAL A 74 -2.699 -5.260 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.327 -6.046 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.274 -7.307 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.489 -8.564 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.765 -6.838 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.106 -7.452 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.751 -9.327 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.643 -8.224 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.578 -8.221 -1.424 1.00 0.00 H new ATOM 1211 N TYR A 75 0.083 -4.558 -4.711 1.00 0.00 N ATOM 1212 CA TYR A 75 1.080 -3.789 -5.443 1.00 0.00 C ATOM 1213 C TYR A 75 1.875 -2.884 -4.487 1.00 0.00 C ATOM 1214 O TYR A 75 3.093 -2.749 -4.619 1.00 0.00 O ATOM 1215 CB TYR A 75 0.400 -2.981 -6.554 1.00 0.00 C ATOM 1216 CG TYR A 75 1.339 -2.572 -7.669 1.00 0.00 C ATOM 1217 CD1 TYR A 75 2.049 -1.360 -7.590 1.00 0.00 C ATOM 1218 CD2 TYR A 75 1.486 -3.396 -8.800 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.877 -0.961 -8.653 1.00 0.00 C ATOM 1220 CE2 TYR A 75 2.318 -2.995 -9.859 1.00 0.00 C ATOM 1221 CZ TYR A 75 3.008 -1.776 -9.787 1.00 0.00 C ATOM 1222 OH TYR A 75 3.899 -1.458 -10.765 1.00 0.00 O ATOM 0 H TYR A 75 -0.854 -4.516 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 75 1.791 -4.472 -5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.414 -3.571 -6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.046 -2.086 -6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.958 -0.737 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.959 -4.337 -8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.413 -0.025 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.426 -3.626 -10.729 1.00 0.00 H new ATOM 0 HH TYR A 75 3.859 -2.132 -11.476 1.00 0.00 H new ATOM 1232 N ASN A 76 1.185 -2.279 -3.513 1.00 0.00 N ATOM 1233 CA ASN A 76 1.778 -1.409 -2.501 1.00 0.00 C ATOM 1234 C ASN A 76 2.573 -2.195 -1.446 1.00 0.00 C ATOM 1235 O ASN A 76 3.631 -1.724 -1.021 1.00 0.00 O ATOM 1236 CB ASN A 76 0.723 -0.504 -1.838 1.00 0.00 C ATOM 1237 CG ASN A 76 0.416 0.770 -2.624 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.646 1.873 -2.142 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.117 0.656 -3.830 1.00 0.00 N ATOM 0 H ASN A 76 0.176 -2.386 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 76 2.487 -0.767 -3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.199 -1.071 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.069 -0.230 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.341 1.492 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.304 -0.268 -4.220 1.00 0.00 H new ATOM 1246 N TRP A 77 2.116 -3.363 -0.973 1.00 0.00 N ATOM 1247 CA TRP A 77 2.949 -4.152 -0.053 1.00 0.00 C ATOM 1248 C TRP A 77 4.212 -4.617 -0.779 1.00 0.00 C ATOM 1249 O TRP A 77 5.303 -4.508 -0.233 1.00 0.00 O ATOM 1250 CB TRP A 77 2.212 -5.313 0.652 1.00 0.00 C ATOM 1251 CG TRP A 77 2.683 -6.705 0.326 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.385 -7.330 -0.827 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.507 -7.664 1.074 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.063 -8.518 -0.921 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.734 -8.800 0.238 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.074 -7.728 2.369 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.482 -9.908 0.644 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.634 -8.929 2.850 1.00 0.00 C ATOM 1259 CH2 TRP A 77 4.917 -9.988 1.970 1.00 0.00 C ATOM 0 H TRP A 77 1.209 -3.771 -1.200 1.00 0.00 H new ATOM 0 HA TRP A 77 3.226 -3.491 0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.298 -5.167 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.153 -5.245 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.706 -6.949 -1.575 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.067 -9.115 -1.748 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.078 -6.848 2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.721 -10.693 -0.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 4.847 -9.036 3.903 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.464 -10.853 2.314 1.00 0.00 H new ATOM 1270 N PHE A 78 4.084 -5.110 -2.009 1.00 0.00 N ATOM 1271 CA PHE A 78 5.224 -5.548 -2.794 1.00 0.00 C ATOM 1272 C PHE A 78 6.154 -4.365 -3.034 1.00 0.00 C ATOM 1273 O PHE A 78 7.361 -4.500 -2.856 1.00 0.00 O ATOM 1274 CB PHE A 78 4.780 -6.228 -4.095 1.00 0.00 C ATOM 1275 CG PHE A 78 4.463 -7.703 -3.922 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.518 -8.607 -3.702 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.151 -8.187 -4.060 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.273 -9.988 -3.705 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.903 -9.569 -4.006 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.964 -10.474 -3.839 1.00 0.00 C ATOM 0 H PHE A 78 3.187 -5.215 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 78 5.778 -6.305 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.899 -5.717 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.566 -6.117 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.518 -8.237 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.333 -7.497 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.096 -10.680 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.891 -9.937 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.773 -11.537 -3.814 1.00 0.00 H new ATOM 1290 N ALA A 79 5.599 -3.192 -3.357 1.00 0.00 N ATOM 1291 CA ALA A 79 6.363 -1.950 -3.408 1.00 0.00 C ATOM 1292 C ALA A 79 7.218 -1.788 -2.153 1.00 0.00 C ATOM 1293 O ALA A 79 8.351 -1.324 -2.230 1.00 0.00 O ATOM 1294 CB ALA A 79 5.444 -0.733 -3.547 1.00 0.00 C ATOM 0 H ALA A 79 4.612 -3.081 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 79 7.008 -2.007 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.046 0.175 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.863 -0.819 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.768 -0.688 -2.693 1.00 0.00 H new ATOM 1300 N ASN A 80 6.673 -2.152 -0.991 1.00 0.00 N ATOM 1301 CA ASN A 80 7.412 -2.033 0.252 1.00 0.00 C ATOM 1302 C ASN A 80 8.468 -3.114 0.370 1.00 0.00 C ATOM 1303 O ASN A 80 9.619 -2.815 0.662 1.00 0.00 O ATOM 1304 CB ASN A 80 6.496 -2.073 1.479 1.00 0.00 C ATOM 1305 CG ASN A 80 7.323 -1.836 2.732 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.580 -0.688 3.080 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.747 -2.894 3.405 1.00 0.00 N ATOM 0 H ASN A 80 5.730 -2.528 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 80 7.899 -1.058 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.720 -1.313 1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.992 -3.038 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.310 -2.771 4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.511 -3.832 3.082 1.00 0.00 H new ATOM 1314 N ARG A 81 8.080 -4.370 0.172 1.00 0.00 N ATOM 1315 CA ARG A 81 8.981 -5.498 0.313 1.00 0.00 C ATOM 1316 C ARG A 81 10.184 -5.359 -0.617 1.00 0.00 C ATOM 1317 O ARG A 81 11.289 -5.715 -0.223 1.00 0.00 O ATOM 1318 CB ARG A 81 8.223 -6.815 0.111 1.00 0.00 C ATOM 1319 CG ARG A 81 7.346 -7.164 1.326 1.00 0.00 C ATOM 1320 CD ARG A 81 8.213 -7.687 2.483 1.00 0.00 C ATOM 1321 NE ARG A 81 7.443 -8.115 3.655 1.00 0.00 N ATOM 1322 CZ ARG A 81 7.979 -8.756 4.708 1.00 0.00 C ATOM 1323 NH1 ARG A 81 9.291 -8.967 4.781 1.00 0.00 N ATOM 1324 NH2 ARG A 81 7.210 -9.217 5.692 1.00 0.00 N ATOM 0 H ARG A 81 7.129 -4.630 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 81 9.378 -5.510 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.598 -6.741 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.936 -7.621 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.793 -6.282 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.610 -7.917 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.810 -8.526 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.910 -6.905 2.784 1.00 0.00 H new ATOM 0 HE ARG A 81 6.443 -7.915 3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.902 -8.641 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.685 -9.455 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.199 -9.086 5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.632 -9.701 6.484 1.00 0.00 H new ATOM 1338 N ARG A 82 9.997 -4.790 -1.811 1.00 0.00 N ATOM 1339 CA ARG A 82 11.109 -4.364 -2.651 1.00 0.00 C ATOM 1340 C ARG A 82 12.123 -3.596 -1.813 1.00 0.00 C ATOM 1341 O ARG A 82 13.294 -3.958 -1.736 1.00 0.00 O ATOM 1342 CB ARG A 82 10.626 -3.419 -3.755 1.00 0.00 C ATOM 1343 CG ARG A 82 9.732 -4.100 -4.790 1.00 0.00 C ATOM 1344 CD ARG A 82 10.396 -4.120 -6.181 1.00 0.00 C ATOM 1345 NE ARG A 82 9.854 -3.082 -7.079 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.997 -1.754 -6.949 1.00 0.00 C ATOM 1347 NH1 ARG A 82 10.919 -1.252 -6.133 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.204 -0.932 -7.636 1.00 0.00 N ATOM 0 H ARG A 82 9.077 -4.615 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 82 11.554 -5.258 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.079 -2.592 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.492 -2.990 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.518 -5.121 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.777 -3.577 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.471 -3.975 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.252 -5.100 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 82 9.315 -3.408 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.524 -1.877 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.022 -0.241 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.491 -1.313 -8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.310 0.078 -7.539 1.00 0.00 H new ATOM 1362 N LYS A 83 11.658 -2.513 -1.196 1.00 0.00 N ATOM 1363 CA LYS A 83 12.520 -1.609 -0.473 1.00 0.00 C ATOM 1364 C LYS A 83 13.108 -2.313 0.741 1.00 0.00 C ATOM 1365 O LYS A 83 14.296 -2.168 0.990 1.00 0.00 O ATOM 1366 CB LYS A 83 11.769 -0.309 -0.126 1.00 0.00 C ATOM 1367 CG LYS A 83 12.613 0.971 -0.240 1.00 0.00 C ATOM 1368 CD LYS A 83 13.913 0.903 0.576 1.00 0.00 C ATOM 1369 CE LYS A 83 14.609 2.267 0.731 1.00 0.00 C ATOM 1370 NZ LYS A 83 13.844 3.227 1.554 1.00 0.00 N ATOM 0 H LYS A 83 10.674 -2.246 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 83 13.360 -1.314 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.905 -0.218 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.387 -0.387 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.856 1.148 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.021 1.822 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.692 0.502 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.599 0.206 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.591 2.117 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.773 2.697 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.405 4.093 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.953 3.463 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.636 2.802 2.480 1.00 0.00 H new ATOM 1384 N GLU A 84 12.313 -3.096 1.469 1.00 0.00 N ATOM 1385 CA GLU A 84 12.791 -3.903 2.582 1.00 0.00 C ATOM 1386 C GLU A 84 13.928 -4.830 2.117 1.00 0.00 C ATOM 1387 O GLU A 84 14.901 -5.052 2.838 1.00 0.00 O ATOM 1388 CB GLU A 84 11.611 -4.686 3.190 1.00 0.00 C ATOM 1389 CG GLU A 84 11.890 -5.116 4.637 1.00 0.00 C ATOM 1390 CD GLU A 84 10.753 -5.928 5.224 1.00 0.00 C ATOM 1391 OE1 GLU A 84 9.594 -5.468 5.154 1.00 0.00 O ATOM 1392 OE2 GLU A 84 11.043 -6.996 5.799 1.00 0.00 O ATOM 0 H GLU A 84 11.311 -3.186 1.298 1.00 0.00 H new ATOM 0 HA GLU A 84 13.202 -3.260 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.713 -4.068 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.410 -5.568 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.808 -5.704 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.057 -4.231 5.251 1.00 0.00 H new ATOM 1399 N GLU A 85 13.822 -5.372 0.905 1.00 0.00 N ATOM 1400 CA GLU A 85 14.748 -6.384 0.421 1.00 0.00 C ATOM 1401 C GLU A 85 16.039 -5.690 -0.009 1.00 0.00 C ATOM 1402 O GLU A 85 17.135 -6.054 0.419 1.00 0.00 O ATOM 1403 CB GLU A 85 14.057 -7.208 -0.678 1.00 0.00 C ATOM 1404 CG GLU A 85 14.872 -8.406 -1.193 1.00 0.00 C ATOM 1405 CD GLU A 85 14.002 -9.637 -1.396 1.00 0.00 C ATOM 1406 OE1 GLU A 85 12.915 -9.533 -2.003 1.00 0.00 O ATOM 1407 OE2 GLU A 85 14.376 -10.721 -0.903 1.00 0.00 O ATOM 0 H GLU A 85 13.094 -5.121 0.236 1.00 0.00 H new ATOM 0 HA GLU A 85 15.029 -7.099 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.104 -7.573 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.832 -6.551 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.352 -8.141 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.667 -8.636 -0.484 1.00 0.00 H new ATOM 1414 N ALA A 86 15.902 -4.649 -0.823 1.00 0.00 N ATOM 1415 CA ALA A 86 17.013 -3.827 -1.261 1.00 0.00 C ATOM 1416 C ALA A 86 17.748 -3.238 -0.047 1.00 0.00 C ATOM 1417 O ALA A 86 18.977 -3.271 0.009 1.00 0.00 O ATOM 1418 CB ALA A 86 16.480 -2.763 -2.222 1.00 0.00 C ATOM 0 H ALA A 86 15.002 -4.352 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 86 17.752 -4.421 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.303 -2.135 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.015 -3.248 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.741 -2.147 -1.709 1.00 0.00 H new ATOM 1424 N PHE A 87 16.993 -2.751 0.942 1.00 0.00 N ATOM 1425 CA PHE A 87 17.482 -2.337 2.255 1.00 0.00 C ATOM 1426 C PHE A 87 18.346 -3.446 2.836 1.00 0.00 C ATOM 1427 O PHE A 87 19.536 -3.224 3.046 1.00 0.00 O ATOM 1428 CB PHE A 87 16.303 -1.957 3.170 1.00 0.00 C ATOM 1429 CG PHE A 87 16.491 -2.026 4.676 1.00 0.00 C ATOM 1430 CD1 PHE A 87 17.216 -1.021 5.337 1.00 0.00 C ATOM 1431 CD2 PHE A 87 15.714 -2.926 5.433 1.00 0.00 C ATOM 1432 CE1 PHE A 87 17.129 -0.881 6.733 1.00 0.00 C ATOM 1433 CE2 PHE A 87 15.629 -2.789 6.827 1.00 0.00 C ATOM 1434 CZ PHE A 87 16.338 -1.768 7.480 1.00 0.00 C ATOM 0 H PHE A 87 15.985 -2.631 0.843 1.00 0.00 H new ATOM 0 HA PHE A 87 18.102 -1.445 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.008 -0.938 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.464 -2.604 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.845 -0.351 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.182 -3.725 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.671 -0.091 7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.017 -3.471 7.399 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.275 -1.665 8.553 1.00 0.00 H new ATOM 1444 N ARG A 88 17.785 -4.644 3.043 1.00 0.00 N ATOM 1445 CA ARG A 88 18.532 -5.784 3.564 1.00 0.00 C ATOM 1446 C ARG A 88 19.859 -5.912 2.829 1.00 0.00 C ATOM 1447 O ARG A 88 20.907 -6.031 3.454 1.00 0.00 O ATOM 1448 CB ARG A 88 17.703 -7.082 3.495 1.00 0.00 C ATOM 1449 CG ARG A 88 18.213 -8.257 4.359 1.00 0.00 C ATOM 1450 CD ARG A 88 19.297 -9.161 3.732 1.00 0.00 C ATOM 1451 NE ARG A 88 20.644 -8.573 3.821 1.00 0.00 N ATOM 1452 CZ ARG A 88 21.740 -8.963 3.149 1.00 0.00 C ATOM 1453 NH1 ARG A 88 21.741 -10.143 2.522 1.00 0.00 N ATOM 1454 NH2 ARG A 88 22.808 -8.164 3.098 1.00 0.00 N ATOM 0 H ARG A 88 16.803 -4.845 2.853 1.00 0.00 H new ATOM 0 HA ARG A 88 18.744 -5.611 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.680 -6.853 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.664 -7.410 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.607 -7.849 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 88 17.359 -8.882 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.293 -10.129 4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.052 -9.343 2.686 1.00 0.00 H new ATOM 0 HE ARG A 88 20.757 -7.786 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.914 -10.739 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 88 22.569 -10.447 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 88 22.791 -7.259 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 88 23.641 -8.458 2.588 1.00 0.00 H new ATOM 1468 N HIS A 89 19.827 -5.897 1.505 1.00 0.00 N ATOM 1469 CA HIS A 89 20.994 -6.099 0.666 1.00 0.00 C ATOM 1470 C HIS A 89 22.082 -5.068 0.976 1.00 0.00 C ATOM 1471 O HIS A 89 23.263 -5.391 0.872 1.00 0.00 O ATOM 1472 CB HIS A 89 20.514 -6.055 -0.793 1.00 0.00 C ATOM 1473 CG HIS A 89 21.360 -6.764 -1.816 1.00 0.00 C ATOM 1474 ND1 HIS A 89 22.696 -6.557 -2.084 1.00 0.00 N ATOM 1475 CD2 HIS A 89 20.856 -7.533 -2.830 1.00 0.00 C ATOM 1476 CE1 HIS A 89 22.985 -7.196 -3.229 1.00 0.00 C ATOM 1477 NE2 HIS A 89 21.889 -7.791 -3.734 1.00 0.00 N ATOM 0 H HIS A 89 18.970 -5.741 0.975 1.00 0.00 H new ATOM 0 HA HIS A 89 21.460 -7.065 0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.511 -6.479 -0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.430 -5.010 -1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.837 -7.880 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 89 23.964 -7.228 -3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.825 -8.323 -4.602 1.00 0.00 H new ATOM 1485 N LYS A 90 21.701 -3.856 1.380 1.00 0.00 N ATOM 1486 CA LYS A 90 22.665 -2.831 1.773 1.00 0.00 C ATOM 1487 C LYS A 90 23.049 -2.949 3.248 1.00 0.00 C ATOM 1488 O LYS A 90 24.152 -2.560 3.634 1.00 0.00 O ATOM 1489 CB LYS A 90 22.126 -1.437 1.465 1.00 0.00 C ATOM 1490 CG LYS A 90 22.194 -1.125 -0.028 1.00 0.00 C ATOM 1491 CD LYS A 90 21.875 0.352 -0.278 1.00 0.00 C ATOM 1492 CE LYS A 90 22.074 0.710 -1.758 1.00 0.00 C ATOM 1493 NZ LYS A 90 21.768 2.130 -2.008 1.00 0.00 N ATOM 0 H LYS A 90 20.727 -3.560 1.443 1.00 0.00 H new ATOM 0 HA LYS A 90 23.570 -2.991 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.094 -1.362 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.700 -0.694 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 90 23.188 -1.359 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 90 21.487 -1.753 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.847 0.561 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 90 22.518 0.977 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 90 23.103 0.500 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.432 0.082 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.911 2.344 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.779 2.323 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.398 2.727 -1.435 1.00 0.00 H new ATOM 1507 N LEU A 91 22.176 -3.486 4.102 1.00 0.00 N ATOM 1508 CA LEU A 91 22.627 -3.956 5.390 1.00 0.00 C ATOM 1509 C LEU A 91 23.757 -4.945 5.128 1.00 0.00 C ATOM 1510 O LEU A 91 23.570 -5.872 4.340 1.00 0.00 O ATOM 1511 CB LEU A 91 21.519 -4.601 6.231 1.00 0.00 C ATOM 1512 CG LEU A 91 20.254 -3.746 6.361 1.00 0.00 C ATOM 1513 CD1 LEU A 91 19.202 -4.534 7.132 1.00 0.00 C ATOM 1514 CD2 LEU A 91 20.523 -2.431 7.086 1.00 0.00 C ATOM 0 H LEU A 91 21.179 -3.600 3.922 1.00 0.00 H new ATOM 0 HA LEU A 91 22.964 -3.104 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 91 21.252 -5.560 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 91 21.908 -4.808 7.228 1.00 0.00 H new ATOM 0 HG LEU A 91 19.905 -3.507 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 91 18.297 -3.934 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 91 18.971 -5.454 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 91 19.584 -4.778 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.598 -1.858 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 91 20.897 -2.638 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 91 21.266 -1.856 6.533 1.00 0.00 H new ATOM 1526 N ALA A 92 24.905 -4.720 5.766 1.00 0.00 N ATOM 1527 CA ALA A 92 26.202 -5.323 5.500 1.00 0.00 C ATOM 1528 C ALA A 92 27.101 -4.469 4.608 1.00 0.00 C ATOM 1529 O ALA A 92 28.135 -4.945 4.150 1.00 0.00 O ATOM 1530 CB ALA A 92 26.080 -6.755 4.975 1.00 0.00 C ATOM 0 H ALA A 92 24.951 -4.059 6.542 1.00 0.00 H new ATOM 0 HA ALA A 92 26.700 -5.372 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 92 27.075 -7.161 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 92 25.567 -7.371 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 92 25.511 -6.754 4.045 1.00 0.00 H new ATOM 1536 N MET A 93 26.754 -3.198 4.418 1.00 0.00 N ATOM 1537 CA MET A 93 27.615 -2.236 3.738 1.00 0.00 C ATOM 1538 C MET A 93 27.309 -0.779 4.108 1.00 0.00 C ATOM 1539 O MET A 93 27.801 0.134 3.449 1.00 0.00 O ATOM 1540 CB MET A 93 27.520 -2.456 2.217 1.00 0.00 C ATOM 1541 CG MET A 93 28.822 -2.071 1.501 1.00 0.00 C ATOM 1542 SD MET A 93 28.723 -2.016 -0.306 1.00 0.00 S ATOM 1543 CE MET A 93 28.341 -3.741 -0.678 1.00 0.00 C ATOM 0 H MET A 93 25.866 -2.806 4.732 1.00 0.00 H new ATOM 0 HA MET A 93 28.636 -2.413 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 93 27.290 -3.502 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 93 26.696 -1.866 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 93 29.140 -1.093 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 93 29.598 -2.782 1.785 1.00 0.00 H new ATOM 0 HE1 MET A 93 28.336 -3.888 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 93 29.095 -4.386 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 93 27.361 -3.992 -0.273 1.00 0.00 H new ATOM 1553 N ASP A 94 26.539 -0.539 5.169 1.00 0.00 N ATOM 1554 CA ASP A 94 26.210 0.804 5.663 1.00 0.00 C ATOM 1555 C ASP A 94 25.389 0.657 6.937 1.00 0.00 C ATOM 1556 O ASP A 94 25.644 1.295 7.961 1.00 0.00 O ATOM 1557 CB ASP A 94 25.407 1.629 4.640 1.00 0.00 C ATOM 1558 CG ASP A 94 25.749 3.101 4.755 1.00 0.00 C ATOM 1559 OD1 ASP A 94 25.795 3.641 5.881 1.00 0.00 O ATOM 1560 OD2 ASP A 94 26.033 3.702 3.695 1.00 0.00 O ATOM 0 H ASP A 94 26.117 -1.285 5.722 1.00 0.00 H new ATOM 0 HA ASP A 94 27.144 1.335 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 94 25.624 1.278 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 94 24.339 1.484 4.806 1.00 0.00 H new ATOM 1565 N THR A 95 24.416 -0.255 6.862 1.00 0.00 N ATOM 1566 CA THR A 95 23.714 -0.835 7.999 1.00 0.00 C ATOM 1567 C THR A 95 22.627 0.087 8.560 1.00 0.00 C ATOM 1568 O THR A 95 21.551 -0.379 8.924 1.00 0.00 O ATOM 1569 CB THR A 95 24.721 -1.322 9.048 1.00 0.00 C ATOM 1570 OG1 THR A 95 25.744 -2.046 8.375 1.00 0.00 O ATOM 1571 CG2 THR A 95 24.068 -2.255 10.071 1.00 0.00 C ATOM 0 H THR A 95 24.086 -0.621 5.969 1.00 0.00 H new ATOM 0 HA THR A 95 23.164 -1.710 7.653 1.00 0.00 H new ATOM 0 HB THR A 95 25.115 -0.455 9.577 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.401 -2.366 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 95 24.814 -2.578 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.266 -1.726 10.586 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.658 -3.126 9.560 1.00 0.00 H new ATOM 1579 N TYR A 96 22.866 1.390 8.607 1.00 0.00 N ATOM 1580 CA TYR A 96 21.801 2.369 8.754 1.00 0.00 C ATOM 1581 C TYR A 96 21.999 3.351 7.596 1.00 0.00 C ATOM 1582 O TYR A 96 22.688 3.015 6.638 1.00 0.00 O ATOM 1583 CB TYR A 96 21.908 3.003 10.144 1.00 0.00 C ATOM 1584 CG TYR A 96 21.464 2.071 11.258 1.00 0.00 C ATOM 1585 CD1 TYR A 96 20.106 1.954 11.603 1.00 0.00 C ATOM 1586 CD2 TYR A 96 22.421 1.280 11.922 1.00 0.00 C ATOM 1587 CE1 TYR A 96 19.720 1.130 12.676 1.00 0.00 C ATOM 1588 CE2 TYR A 96 22.025 0.413 12.953 1.00 0.00 C ATOM 1589 CZ TYR A 96 20.675 0.335 13.331 1.00 0.00 C ATOM 1590 OH TYR A 96 20.323 -0.467 14.374 1.00 0.00 O ATOM 0 H TYR A 96 23.800 1.796 8.545 1.00 0.00 H new ATOM 0 HA TYR A 96 20.794 1.956 8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 96 22.940 3.305 10.321 1.00 0.00 H new ATOM 0 HB3 TYR A 96 21.301 3.908 10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 96 19.359 2.497 11.044 1.00 0.00 H new ATOM 0 HD2 TYR A 96 23.461 1.340 11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 96 18.689 1.109 12.996 1.00 0.00 H new ATOM 0 HE2 TYR A 96 22.761 -0.196 13.457 1.00 0.00 H new ATOM 0 HH TYR A 96 21.114 -0.944 14.702 1.00 0.00 H new ATOM 1600 N LYS A 97 21.432 4.558 7.673 1.00 0.00 N ATOM 1601 CA LYS A 97 21.647 5.603 6.701 1.00 0.00 C ATOM 1602 C LYS A 97 21.305 5.121 5.282 1.00 0.00 C ATOM 1603 O LYS A 97 22.124 5.190 4.366 1.00 0.00 O ATOM 1604 CB LYS A 97 23.088 6.080 6.839 1.00 0.00 C ATOM 1605 CG LYS A 97 23.570 6.337 8.273 1.00 0.00 C ATOM 1606 CD LYS A 97 25.057 6.706 8.219 1.00 0.00 C ATOM 1607 CE LYS A 97 25.741 6.657 9.589 1.00 0.00 C ATOM 1608 NZ LYS A 97 25.151 7.611 10.547 1.00 0.00 N ATOM 0 H LYS A 97 20.803 4.829 8.429 1.00 0.00 H new ATOM 0 HA LYS A 97 20.980 6.445 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 97 23.742 5.337 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.203 7.000 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.995 7.143 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 97 23.420 5.450 8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 97 25.569 6.025 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.161 7.708 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.666 5.647 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 97 26.802 6.875 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 25.659 7.552 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 25.229 8.576 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 24.148 7.378 10.696 1.00 0.00 H new ATOM 1622 N LEU A 98 20.068 4.667 5.083 1.00 0.00 N ATOM 1623 CA LEU A 98 19.594 4.173 3.804 1.00 0.00 C ATOM 1624 C LEU A 98 18.072 4.079 3.708 1.00 0.00 C ATOM 1625 O LEU A 98 17.553 3.386 2.833 1.00 0.00 O ATOM 1626 CB LEU A 98 20.264 2.836 3.426 1.00 0.00 C ATOM 1627 CG LEU A 98 19.707 1.586 4.140 1.00 0.00 C ATOM 1628 CD1 LEU A 98 20.219 0.359 3.396 1.00 0.00 C ATOM 1629 CD2 LEU A 98 20.160 1.450 5.595 1.00 0.00 C ATOM 0 H LEU A 98 19.363 4.634 5.819 1.00 0.00 H new ATOM 0 HA LEU A 98 19.894 4.923 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.165 2.692 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.330 2.911 3.641 1.00 0.00 H new ATOM 0 HG LEU A 98 18.621 1.678 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 98 19.841 -0.543 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 98 19.874 0.390 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 98 21.309 0.351 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 98 19.727 0.548 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 98 21.247 1.385 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 98 19.828 2.320 6.162 1.00 0.00 H new ATOM 1641 N ASN A 99 17.344 4.765 4.588 1.00 0.00 N ATOM 1642 CA ASN A 99 15.900 4.866 4.481 1.00 0.00 C ATOM 1643 C ASN A 99 15.574 5.876 3.390 1.00 0.00 C ATOM 1644 O ASN A 99 15.295 5.412 2.268 1.00 0.00 O ATOM 1645 CB ASN A 99 15.275 5.315 5.801 1.00 0.00 C ATOM 1646 CG ASN A 99 13.770 5.478 5.635 1.00 0.00 C ATOM 1647 OD1 ASN A 99 13.130 4.771 4.861 1.00 0.00 O ATOM 1648 ND2 ASN A 99 13.166 6.416 6.339 1.00 0.00 N ATOM 1649 OXT ASN A 99 16.089 7.011 3.496 1.00 0.00 O ATOM 0 H ASN A 99 17.740 5.261 5.387 1.00 0.00 H new ATOM 0 HA ASN A 99 15.490 3.886 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.486 4.583 6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 99 15.718 6.258 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.161 6.558 6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.704 6.999 6.980 1.00 0.00 H new TER 1656 ASN A 99