USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1137 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 132 SER OG : rot 160:sc= -1.15 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.16 K(o=-2.3,f=-2.9) USER MOD Set 2.1: A 125 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 128 SER OG : rot 180:sc= -1.26 USER MOD Set 3.1: A 113 SER OG : rot 180:sc= -0.178 USER MOD Set 3.2: A 117 GLN : amide:sc= -1.14 X(o=-1.3,f=-1.6) USER MOD Set 4.1: A 3 ASN : amide:sc= -2.45 K(o=-5.9,f=-3.6!) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 63 ASN : amide:sc= -3.48 K(o=-5.9,f=-3.6) USER MOD Set 5.1: A 21 MET CE :methyl -153:sc= -8.39! (180deg=-10!) USER MOD Set 5.2: A 24 CYS SG : rot -13:sc= -4.01! USER MOD Set 5.3: A 28 CYS SG : rot 104:sc= -3.29 USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -0.295 (180deg=-1.35!) USER MOD Single : A 6 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-0.094) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.82! K(o=-4.8!,f=-2) USER MOD Single : A 15 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -32:sc= -3.01! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 130:sc= -0.183 (180deg=-0.909) USER MOD Single : A 27 GLN : amide:sc= -3.99 K(o=-4,f=-5.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -9.15! C(o=-9.1!,f=-13!) USER MOD Single : A 55 SER OG : rot 137:sc= -0.634! USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.837) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 150:sc= -5.46 (180deg=-10.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.41 K(o=-2.4,f=-6.3!) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 0.512 (180deg=0.293) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.624 K(o=-0.62,f=-1.2!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 60:sc= -0.679 USER MOD Single : A 93 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0533 (180deg=-0.37) USER MOD Single : A 102 ASN : amide:sc= -9.35! C(o=-9.4!,f=-14!) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= -0.0038 (180deg=-0.103) USER MOD Single : A 106 SER OG : rot 72:sc= 0.934! USER MOD Single : A 110 LYS NZ :NH3+ -134:sc= -1.11 (180deg=-3.08!) USER MOD Single : A 120 GLN : amide:sc= -4.13! C(o=-4.1!,f=-4!) USER MOD Single : A 122 MET CE :methyl 145:sc= -7.56! (180deg=-10.8!) USER MOD Single : A 129 GLN : amide:sc= -6.39! C(o=-6.4!,f=-6.1!) USER MOD Single : A 138 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.094) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.158 -0.421 -6.012 1.00 0.00 N ATOM 21 CA GLU A 2 -17.547 -1.270 -7.028 1.00 0.00 C ATOM 22 C GLU A 2 -16.028 -1.290 -6.881 1.00 0.00 C ATOM 23 O GLU A 2 -15.373 -2.265 -7.248 1.00 0.00 O ATOM 24 CB GLU A 2 -17.929 -0.782 -8.427 1.00 0.00 C ATOM 25 CG GLU A 2 -19.371 -1.086 -8.805 1.00 0.00 C ATOM 26 CD GLU A 2 -20.214 0.166 -8.945 1.00 0.00 C ATOM 27 OE1 GLU A 2 -20.071 0.866 -9.971 1.00 0.00 O ATOM 28 OE2 GLU A 2 -21.018 0.446 -8.032 1.00 0.00 O ATOM 0 HA GLU A 2 -17.920 -2.285 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.766 0.294 -8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.265 -1.244 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.388 -1.638 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.812 -1.734 -8.048 1.00 0.00 H new ATOM 35 N ASN A 3 -15.474 -0.208 -6.343 1.00 0.00 N ATOM 36 CA ASN A 3 -14.035 -0.103 -6.150 1.00 0.00 C ATOM 37 C ASN A 3 -13.614 -0.741 -4.831 1.00 0.00 C ATOM 38 O ASN A 3 -12.542 -1.337 -4.732 1.00 0.00 O ATOM 39 CB ASN A 3 -13.611 1.364 -6.157 1.00 0.00 C ATOM 40 CG ASN A 3 -14.186 2.136 -7.325 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.843 1.570 -8.200 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.937 3.440 -7.342 1.00 0.00 N ATOM 0 H ASN A 3 -16.002 0.608 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.546 -0.631 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.928 1.833 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.523 1.423 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.295 4.018 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.388 3.864 -6.595 1.00 0.00 H new ATOM 49 N LEU A 4 -14.466 -0.607 -3.819 1.00 0.00 N ATOM 50 CA LEU A 4 -14.185 -1.161 -2.502 1.00 0.00 C ATOM 51 C LEU A 4 -13.837 -2.639 -2.599 1.00 0.00 C ATOM 52 O LEU A 4 -12.840 -3.091 -2.041 1.00 0.00 O ATOM 53 CB LEU A 4 -15.388 -0.961 -1.577 1.00 0.00 C ATOM 54 CG LEU A 4 -15.325 0.289 -0.699 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.724 0.757 -0.334 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.508 0.015 0.555 1.00 0.00 C ATOM 0 H LEU A 4 -15.358 -0.118 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.326 -0.634 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.291 -0.915 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.482 -1.835 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.836 1.083 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.658 1.648 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.278 0.992 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.241 -0.032 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.472 0.914 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.971 -0.793 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.495 -0.272 0.274 1.00 0.00 H new ATOM 68 N LYS A 5 -14.658 -3.385 -3.319 1.00 0.00 N ATOM 69 CA LYS A 5 -14.423 -4.813 -3.489 1.00 0.00 C ATOM 70 C LYS A 5 -13.145 -5.061 -4.283 1.00 0.00 C ATOM 71 O LYS A 5 -12.557 -6.139 -4.209 1.00 0.00 O ATOM 72 CB LYS A 5 -15.615 -5.478 -4.184 1.00 0.00 C ATOM 73 CG LYS A 5 -16.965 -5.038 -3.640 1.00 0.00 C ATOM 74 CD LYS A 5 -17.054 -5.241 -2.137 1.00 0.00 C ATOM 75 CE LYS A 5 -18.500 -5.293 -1.667 1.00 0.00 C ATOM 76 NZ LYS A 5 -19.318 -6.225 -2.490 1.00 0.00 N ATOM 0 H LYS A 5 -15.489 -3.031 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.306 -5.255 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.573 -5.255 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.527 -6.560 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.128 -3.986 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.758 -5.602 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.548 -6.167 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.534 -4.430 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.532 -5.607 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.933 -4.294 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.058 -6.653 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.760 -5.701 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.708 -6.973 -2.877 1.00 0.00 H new ATOM 90 N HIS A 6 -12.711 -4.051 -5.028 1.00 0.00 N ATOM 91 CA HIS A 6 -11.491 -4.156 -5.816 1.00 0.00 C ATOM 92 C HIS A 6 -10.293 -3.755 -4.968 1.00 0.00 C ATOM 93 O HIS A 6 -9.185 -4.261 -5.152 1.00 0.00 O ATOM 94 CB HIS A 6 -11.576 -3.271 -7.061 1.00 0.00 C ATOM 95 CG HIS A 6 -10.989 -3.904 -8.284 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.507 -5.043 -8.865 1.00 0.00 N ATOM 97 CD2 HIS A 6 -9.919 -3.554 -9.037 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.782 -5.365 -9.921 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.814 -4.478 -10.047 1.00 0.00 N ATOM 0 H HIS A 6 -13.186 -3.151 -5.102 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.371 -5.190 -6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.621 -3.027 -7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.060 -2.331 -6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.270 -2.707 -8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.953 -6.211 -10.571 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.102 -4.478 -10.777 1.00 0.00 H new ATOM 108 N ILE A 7 -10.533 -2.846 -4.030 1.00 0.00 N ATOM 109 CA ILE A 7 -9.493 -2.371 -3.133 1.00 0.00 C ATOM 110 C ILE A 7 -9.294 -3.346 -1.982 1.00 0.00 C ATOM 111 O ILE A 7 -8.164 -3.682 -1.631 1.00 0.00 O ATOM 112 CB ILE A 7 -9.843 -0.975 -2.577 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.687 0.073 -3.682 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.963 -0.620 -1.379 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.973 0.767 -4.071 1.00 0.00 C ATOM 0 H ILE A 7 -11.447 -2.422 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.567 -2.299 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.878 -0.989 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.968 0.824 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.266 -0.408 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.233 0.369 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.111 -1.356 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.916 -0.620 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.771 1.492 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.690 0.029 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.387 1.280 -3.203 1.00 0.00 H new ATOM 127 N ILE A 8 -10.397 -3.803 -1.398 1.00 0.00 N ATOM 128 CA ILE A 8 -10.330 -4.745 -0.294 1.00 0.00 C ATOM 129 C ILE A 8 -9.706 -6.045 -0.762 1.00 0.00 C ATOM 130 O ILE A 8 -8.772 -6.563 -0.150 1.00 0.00 O ATOM 131 CB ILE A 8 -11.726 -5.041 0.270 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.433 -3.742 0.654 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.635 -5.979 1.463 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.939 -3.869 0.705 1.00 0.00 C ATOM 0 H ILE A 8 -11.343 -3.536 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.721 -4.295 0.490 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.313 -5.535 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.070 -3.414 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.166 -2.966 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.636 -6.176 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.174 -6.917 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.030 -5.517 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.376 -2.910 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.312 -4.167 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.216 -4.622 1.443 1.00 0.00 H new ATOM 146 N THR A 9 -10.229 -6.559 -1.867 1.00 0.00 N ATOM 147 CA THR A 9 -9.721 -7.797 -2.443 1.00 0.00 C ATOM 148 C THR A 9 -8.250 -7.630 -2.794 1.00 0.00 C ATOM 149 O THR A 9 -7.416 -8.469 -2.452 1.00 0.00 O ATOM 150 CB THR A 9 -10.527 -8.186 -3.686 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.355 -9.560 -3.984 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.146 -7.399 -4.920 1.00 0.00 C ATOM 0 H THR A 9 -11.003 -6.139 -2.382 1.00 0.00 H new ATOM 0 HA THR A 9 -9.825 -8.597 -1.710 1.00 0.00 H new ATOM 0 HB THR A 9 -11.564 -7.960 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.879 -9.790 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.756 -7.726 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.314 -6.337 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.093 -7.566 -5.148 1.00 0.00 H new ATOM 160 N LEU A 10 -7.935 -6.521 -3.461 1.00 0.00 N ATOM 161 CA LEU A 10 -6.563 -6.231 -3.831 1.00 0.00 C ATOM 162 C LEU A 10 -5.745 -5.998 -2.579 1.00 0.00 C ATOM 163 O LEU A 10 -4.562 -6.335 -2.523 1.00 0.00 O ATOM 164 CB LEU A 10 -6.482 -5.013 -4.751 1.00 0.00 C ATOM 165 CG LEU A 10 -5.077 -4.693 -5.271 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.304 -5.972 -5.569 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.160 -3.817 -6.513 1.00 0.00 C ATOM 0 H LEU A 10 -8.612 -5.816 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.162 -7.085 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.142 -5.175 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.862 -4.144 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.541 -4.147 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.310 -5.719 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.214 -6.563 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.835 -6.550 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.154 -3.598 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.716 -4.340 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.669 -2.885 -6.267 1.00 0.00 H new ATOM 179 N GLY A 11 -6.391 -5.451 -1.553 1.00 0.00 N ATOM 180 CA GLY A 11 -5.702 -5.227 -0.307 1.00 0.00 C ATOM 181 C GLY A 11 -5.247 -6.543 0.278 1.00 0.00 C ATOM 182 O GLY A 11 -4.229 -6.612 0.963 1.00 0.00 O ATOM 0 H GLY A 11 -7.370 -5.163 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.843 -4.576 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.361 -4.716 0.395 1.00 0.00 H new ATOM 186 N GLN A 12 -6.005 -7.599 -0.025 1.00 0.00 N ATOM 187 CA GLN A 12 -5.680 -8.938 0.447 1.00 0.00 C ATOM 188 C GLN A 12 -4.581 -9.546 -0.411 1.00 0.00 C ATOM 189 O GLN A 12 -3.711 -10.257 0.093 1.00 0.00 O ATOM 190 CB GLN A 12 -6.920 -9.833 0.416 1.00 0.00 C ATOM 191 CG GLN A 12 -8.001 -9.414 1.399 1.00 0.00 C ATOM 192 CD GLN A 12 -7.475 -9.261 2.811 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.610 -10.017 3.251 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.999 -8.276 3.529 1.00 0.00 N ATOM 0 H GLN A 12 -6.848 -7.548 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.327 -8.864 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.336 -9.828 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.622 -10.859 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.437 -8.470 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.801 -10.154 1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.715 -7.673 3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.686 -8.121 4.487 1.00 0.00 H new ATOM 203 N VAL A 13 -4.612 -9.248 -1.705 1.00 0.00 N ATOM 204 CA VAL A 13 -3.600 -9.752 -2.617 1.00 0.00 C ATOM 205 C VAL A 13 -2.285 -9.060 -2.331 1.00 0.00 C ATOM 206 O VAL A 13 -1.297 -9.696 -1.971 1.00 0.00 O ATOM 207 CB VAL A 13 -4.000 -9.523 -4.081 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.811 -9.718 -5.011 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.140 -10.450 -4.454 1.00 0.00 C ATOM 0 H VAL A 13 -5.324 -8.663 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.500 -10.826 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.336 -8.492 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.124 -9.550 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.025 -9.010 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.432 -10.735 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.419 -10.283 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.824 -11.485 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.997 -10.249 -3.811 1.00 0.00 H new ATOM 219 N ILE A 14 -2.294 -7.740 -2.456 1.00 0.00 N ATOM 220 CA ILE A 14 -1.116 -6.940 -2.171 1.00 0.00 C ATOM 221 C ILE A 14 -0.492 -7.409 -0.859 1.00 0.00 C ATOM 222 O ILE A 14 0.724 -7.357 -0.674 1.00 0.00 O ATOM 223 CB ILE A 14 -1.494 -5.442 -2.074 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.981 -4.676 -3.292 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.972 -4.813 -0.790 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.770 -3.423 -3.569 1.00 0.00 C ATOM 0 H ILE A 14 -3.107 -7.201 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.395 -7.062 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.582 -5.380 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.065 -4.414 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.020 -5.325 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.257 -3.761 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.399 -5.331 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.114 -4.895 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.360 -2.921 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.812 -3.683 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.710 -2.757 -2.708 1.00 0.00 H new ATOM 238 N HIS A 15 -1.354 -7.878 0.042 1.00 0.00 N ATOM 239 CA HIS A 15 -0.924 -8.372 1.336 1.00 0.00 C ATOM 240 C HIS A 15 -0.477 -9.831 1.239 1.00 0.00 C ATOM 241 O HIS A 15 0.493 -10.231 1.883 1.00 0.00 O ATOM 242 CB HIS A 15 -2.064 -8.210 2.348 1.00 0.00 C ATOM 243 CG HIS A 15 -2.213 -9.348 3.304 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.222 -10.278 3.199 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.482 -9.707 4.385 1.00 0.00 C ATOM 246 CE1 HIS A 15 -3.109 -11.158 4.171 1.00 0.00 C ATOM 247 NE2 HIS A 15 -2.059 -10.837 4.907 1.00 0.00 N ATOM 0 H HIS A 15 -2.362 -7.923 -0.109 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.067 -7.790 1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.900 -7.294 2.916 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.000 -8.085 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.608 -9.199 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.764 -12.000 4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.732 -11.346 5.728 1.00 0.00 H new ATOM 256 N LYS A 16 -1.184 -10.628 0.434 1.00 0.00 N ATOM 257 CA LYS A 16 -0.833 -12.035 0.277 1.00 0.00 C ATOM 258 C LYS A 16 0.435 -12.190 -0.561 1.00 0.00 C ATOM 259 O LYS A 16 1.308 -12.997 -0.240 1.00 0.00 O ATOM 260 CB LYS A 16 -1.998 -12.819 -0.343 1.00 0.00 C ATOM 261 CG LYS A 16 -2.043 -12.788 -1.864 1.00 0.00 C ATOM 262 CD LYS A 16 -3.404 -13.219 -2.382 1.00 0.00 C ATOM 263 CE LYS A 16 -3.453 -14.714 -2.656 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.669 -15.346 -2.074 1.00 0.00 N ATOM 0 H LYS A 16 -1.991 -10.326 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.634 -12.448 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.936 -13.857 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.935 -12.418 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.819 -11.781 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.273 -13.446 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.171 -12.957 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.635 -12.673 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.434 -14.887 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.564 -15.188 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.665 -16.365 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.675 -15.204 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.518 -14.911 -2.488 1.00 0.00 H new ATOM 278 N ARG A 17 0.535 -11.403 -1.628 1.00 0.00 N ATOM 279 CA ARG A 17 1.702 -11.446 -2.500 1.00 0.00 C ATOM 280 C ARG A 17 2.940 -10.962 -1.754 1.00 0.00 C ATOM 281 O ARG A 17 4.035 -11.492 -1.938 1.00 0.00 O ATOM 282 CB ARG A 17 1.472 -10.585 -3.743 1.00 0.00 C ATOM 283 CG ARG A 17 0.409 -11.140 -4.679 1.00 0.00 C ATOM 284 CD ARG A 17 1.004 -11.576 -6.009 1.00 0.00 C ATOM 285 NE ARG A 17 1.226 -13.019 -6.061 1.00 0.00 N ATOM 286 CZ ARG A 17 0.264 -13.910 -6.297 1.00 0.00 C ATOM 287 NH1 ARG A 17 -0.984 -13.509 -6.504 1.00 0.00 N ATOM 288 NH2 ARG A 17 0.552 -15.204 -6.326 1.00 0.00 N ATOM 0 H ARG A 17 -0.177 -10.729 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 17 1.860 -12.478 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.182 -9.582 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.411 -10.490 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.086 -11.988 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.355 -10.382 -4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.336 -11.282 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.949 -11.057 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 17 2.173 -13.365 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.210 -12.515 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.717 -14.195 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.510 -15.517 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.184 -15.886 -6.507 1.00 0.00 H new ATOM 302 N CYS A 18 2.754 -9.957 -0.903 1.00 0.00 N ATOM 303 CA CYS A 18 3.854 -9.410 -0.121 1.00 0.00 C ATOM 304 C CYS A 18 4.228 -10.368 1.005 1.00 0.00 C ATOM 305 O CYS A 18 5.398 -10.512 1.354 1.00 0.00 O ATOM 306 CB CYS A 18 3.481 -8.035 0.444 1.00 0.00 C ATOM 307 SG CYS A 18 2.463 -8.082 1.940 1.00 0.00 S ATOM 0 H CYS A 18 1.853 -9.507 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 18 4.718 -9.288 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.397 -7.486 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.948 -7.474 -0.324 1.00 0.00 H new ATOM 0 HG CYS A 18 1.695 -9.131 1.910 1.00 0.00 H new ATOM 313 N GLU A 19 3.220 -11.031 1.560 1.00 0.00 N ATOM 314 CA GLU A 19 3.442 -11.989 2.634 1.00 0.00 C ATOM 315 C GLU A 19 4.233 -13.181 2.111 1.00 0.00 C ATOM 316 O GLU A 19 4.984 -13.818 2.851 1.00 0.00 O ATOM 317 CB GLU A 19 2.107 -12.458 3.220 1.00 0.00 C ATOM 318 CG GLU A 19 1.794 -11.853 4.579 1.00 0.00 C ATOM 319 CD GLU A 19 1.296 -12.882 5.575 1.00 0.00 C ATOM 320 OE1 GLU A 19 2.018 -13.874 5.815 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.186 -12.698 6.116 1.00 0.00 O ATOM 0 H GLU A 19 2.244 -10.923 1.284 1.00 0.00 H new ATOM 0 HA GLU A 19 4.013 -11.501 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.306 -12.205 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.120 -13.544 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.690 -11.374 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.041 -11.073 4.461 1.00 0.00 H new ATOM 328 N GLU A 20 4.056 -13.477 0.826 1.00 0.00 N ATOM 329 CA GLU A 20 4.753 -14.592 0.195 1.00 0.00 C ATOM 330 C GLU A 20 5.993 -14.121 -0.568 1.00 0.00 C ATOM 331 O GLU A 20 6.687 -14.927 -1.188 1.00 0.00 O ATOM 332 CB GLU A 20 3.810 -15.339 -0.751 1.00 0.00 C ATOM 333 CG GLU A 20 3.336 -14.502 -1.927 1.00 0.00 C ATOM 334 CD GLU A 20 4.354 -14.441 -3.049 1.00 0.00 C ATOM 335 OE1 GLU A 20 4.374 -15.369 -3.885 1.00 0.00 O ATOM 336 OE2 GLU A 20 5.132 -13.465 -3.092 1.00 0.00 O ATOM 0 H GLU A 20 3.436 -12.960 0.202 1.00 0.00 H new ATOM 0 HA GLU A 20 5.081 -15.267 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.317 -16.227 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.942 -15.683 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.403 -14.916 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.118 -13.491 -1.584 1.00 0.00 H new ATOM 343 N MET A 21 6.269 -12.818 -0.523 1.00 0.00 N ATOM 344 CA MET A 21 7.427 -12.258 -1.215 1.00 0.00 C ATOM 345 C MET A 21 8.719 -12.899 -0.728 1.00 0.00 C ATOM 346 O MET A 21 8.956 -13.015 0.475 1.00 0.00 O ATOM 347 CB MET A 21 7.490 -10.744 -1.013 1.00 0.00 C ATOM 348 CG MET A 21 6.908 -9.955 -2.173 1.00 0.00 C ATOM 349 SD MET A 21 7.880 -10.129 -3.681 1.00 0.00 S ATOM 350 CE MET A 21 8.143 -8.412 -4.115 1.00 0.00 C ATOM 0 H MET A 21 5.708 -12.133 -0.016 1.00 0.00 H new ATOM 0 HA MET A 21 7.315 -12.471 -2.278 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.953 -10.484 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.529 -10.448 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.888 -10.290 -2.361 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.852 -8.901 -1.900 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.281 -8.326 -5.193 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.277 -7.823 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.031 -8.040 -3.605 1.00 0.00 H new ATOM 360 N LYS A 22 9.556 -13.304 -1.674 1.00 0.00 N ATOM 361 CA LYS A 22 10.834 -13.924 -1.350 1.00 0.00 C ATOM 362 C LYS A 22 11.928 -12.868 -1.200 1.00 0.00 C ATOM 363 O LYS A 22 13.064 -13.187 -0.852 1.00 0.00 O ATOM 364 CB LYS A 22 11.222 -14.934 -2.433 1.00 0.00 C ATOM 365 CG LYS A 22 11.247 -16.373 -1.942 1.00 0.00 C ATOM 366 CD LYS A 22 10.775 -17.337 -3.018 1.00 0.00 C ATOM 367 CE LYS A 22 11.033 -18.782 -2.624 1.00 0.00 C ATOM 368 NZ LYS A 22 9.905 -19.673 -3.010 1.00 0.00 N ATOM 0 H LYS A 22 9.373 -13.214 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 22 10.728 -14.446 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.519 -14.854 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.206 -14.675 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.259 -16.636 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.612 -16.469 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.709 -17.192 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.287 -17.117 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.950 -19.130 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.191 -18.842 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.120 -20.649 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.035 -19.357 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.770 -19.636 -4.041 1.00 0.00 H new ATOM 382 N TYR A 23 11.583 -11.610 -1.468 1.00 0.00 N ATOM 383 CA TYR A 23 12.544 -10.519 -1.363 1.00 0.00 C ATOM 384 C TYR A 23 11.875 -9.237 -0.883 1.00 0.00 C ATOM 385 O TYR A 23 10.651 -9.111 -0.923 1.00 0.00 O ATOM 386 CB TYR A 23 13.217 -10.275 -2.713 1.00 0.00 C ATOM 387 CG TYR A 23 14.463 -11.101 -2.928 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.382 -12.465 -3.173 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.721 -10.514 -2.887 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.521 -13.223 -3.369 1.00 0.00 C ATOM 391 CE2 TYR A 23 16.865 -11.265 -3.083 1.00 0.00 C ATOM 392 CZ TYR A 23 16.760 -12.618 -3.323 1.00 0.00 C ATOM 393 OH TYR A 23 17.896 -13.370 -3.517 1.00 0.00 O ATOM 0 H TYR A 23 10.648 -11.324 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 23 13.297 -10.808 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.505 -10.494 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.473 -9.219 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.414 -12.941 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.807 -9.454 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.441 -14.283 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.836 -10.794 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 23 18.685 -12.793 -3.454 1.00 0.00 H new ATOM 403 N CYS A 24 12.696 -8.286 -0.435 1.00 0.00 N ATOM 404 CA CYS A 24 12.211 -6.995 0.051 1.00 0.00 C ATOM 405 C CYS A 24 10.943 -7.135 0.888 1.00 0.00 C ATOM 406 O CYS A 24 10.105 -6.233 0.909 1.00 0.00 O ATOM 407 CB CYS A 24 11.944 -6.059 -1.129 1.00 0.00 C ATOM 408 SG CYS A 24 10.487 -6.502 -2.102 1.00 0.00 S ATOM 0 H CYS A 24 13.710 -8.389 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 24 12.988 -6.577 0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.823 -5.043 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.817 -6.055 -1.782 1.00 0.00 H new ATOM 0 HG CYS A 24 10.101 -7.702 -1.784 1.00 0.00 H new ATOM 414 N LYS A 25 10.797 -8.263 1.571 1.00 0.00 N ATOM 415 CA LYS A 25 9.619 -8.493 2.395 1.00 0.00 C ATOM 416 C LYS A 25 9.457 -7.386 3.429 1.00 0.00 C ATOM 417 O LYS A 25 8.346 -7.069 3.842 1.00 0.00 O ATOM 418 CB LYS A 25 9.703 -9.844 3.095 1.00 0.00 C ATOM 419 CG LYS A 25 9.888 -11.015 2.144 1.00 0.00 C ATOM 420 CD LYS A 25 11.353 -11.404 2.012 1.00 0.00 C ATOM 421 CE LYS A 25 11.558 -12.896 2.224 1.00 0.00 C ATOM 422 NZ LYS A 25 11.698 -13.238 3.667 1.00 0.00 N ATOM 0 H LYS A 25 11.473 -9.026 1.571 1.00 0.00 H new ATOM 0 HA LYS A 25 8.749 -8.491 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.533 -9.826 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.794 -9.999 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.315 -11.870 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.491 -10.754 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.717 -11.123 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.945 -10.848 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.714 -13.442 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.449 -13.220 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.836 -14.264 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.518 -12.737 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.838 -12.952 4.177 1.00 0.00 H new ATOM 436 N LYS A 26 10.571 -6.792 3.841 1.00 0.00 N ATOM 437 CA LYS A 26 10.533 -5.715 4.822 1.00 0.00 C ATOM 438 C LYS A 26 9.568 -4.623 4.372 1.00 0.00 C ATOM 439 O LYS A 26 8.604 -4.300 5.071 1.00 0.00 O ATOM 440 CB LYS A 26 11.931 -5.129 5.027 1.00 0.00 C ATOM 441 CG LYS A 26 12.992 -6.175 5.327 1.00 0.00 C ATOM 442 CD LYS A 26 14.263 -5.927 4.533 1.00 0.00 C ATOM 443 CE LYS A 26 15.103 -7.189 4.415 1.00 0.00 C ATOM 444 NZ LYS A 26 14.362 -8.289 3.736 1.00 0.00 N ATOM 0 H LYS A 26 11.506 -7.036 3.513 1.00 0.00 H new ATOM 0 HA LYS A 26 10.184 -6.124 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.219 -4.578 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.898 -4.411 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.221 -6.167 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.603 -7.166 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.006 -5.565 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.847 -5.144 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.014 -6.968 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.408 -7.516 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.951 -8.687 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.137 -9.034 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.480 -7.915 3.331 1.00 0.00 H new ATOM 458 N GLN A 27 9.822 -4.068 3.191 1.00 0.00 N ATOM 459 CA GLN A 27 8.972 -3.026 2.644 1.00 0.00 C ATOM 460 C GLN A 27 7.672 -3.619 2.117 1.00 0.00 C ATOM 461 O GLN A 27 6.591 -3.085 2.362 1.00 0.00 O ATOM 462 CB GLN A 27 9.705 -2.281 1.528 1.00 0.00 C ATOM 463 CG GLN A 27 10.703 -1.253 2.036 1.00 0.00 C ATOM 464 CD GLN A 27 11.957 -1.181 1.184 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.386 -0.099 0.784 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.550 -2.335 0.902 1.00 0.00 N ATOM 0 H GLN A 27 10.611 -4.325 2.597 1.00 0.00 H new ATOM 0 HA GLN A 27 8.732 -2.321 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.228 -3.004 0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.972 -1.782 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.228 -0.272 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.979 -1.497 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.159 -3.209 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.396 -2.348 0.333 1.00 0.00 H new ATOM 475 N CYS A 28 7.779 -4.727 1.392 1.00 0.00 N ATOM 476 CA CYS A 28 6.602 -5.381 0.835 1.00 0.00 C ATOM 477 C CYS A 28 5.608 -5.763 1.928 1.00 0.00 C ATOM 478 O CYS A 28 4.445 -5.361 1.883 1.00 0.00 O ATOM 479 CB CYS A 28 7.010 -6.611 0.026 1.00 0.00 C ATOM 480 SG CYS A 28 7.222 -6.272 -1.733 1.00 0.00 S ATOM 0 H CYS A 28 8.663 -5.188 1.177 1.00 0.00 H new ATOM 0 HA CYS A 28 6.107 -4.672 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.943 -7.008 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.254 -7.386 0.151 1.00 0.00 H new ATOM 0 HG CYS A 28 8.490 -6.221 -2.015 1.00 0.00 H new ATOM 486 N ARG A 29 6.062 -6.536 2.912 1.00 0.00 N ATOM 487 CA ARG A 29 5.194 -6.957 4.010 1.00 0.00 C ATOM 488 C ARG A 29 4.445 -5.767 4.599 1.00 0.00 C ATOM 489 O ARG A 29 3.241 -5.837 4.841 1.00 0.00 O ATOM 490 CB ARG A 29 6.004 -7.649 5.105 1.00 0.00 C ATOM 491 CG ARG A 29 6.572 -8.992 4.680 1.00 0.00 C ATOM 492 CD ARG A 29 7.545 -9.539 5.712 1.00 0.00 C ATOM 493 NE ARG A 29 6.935 -9.652 7.034 1.00 0.00 N ATOM 494 CZ ARG A 29 7.531 -10.222 8.079 1.00 0.00 C ATOM 495 NH1 ARG A 29 8.751 -10.732 7.960 1.00 0.00 N ATOM 496 NH2 ARG A 29 6.905 -10.281 9.247 1.00 0.00 N ATOM 0 H ARG A 29 7.020 -6.882 2.972 1.00 0.00 H new ATOM 0 HA ARG A 29 4.468 -7.663 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.823 -6.996 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.370 -7.792 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.758 -9.702 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.079 -8.886 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.900 -10.519 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.417 -8.887 5.770 1.00 0.00 H new ATOM 0 HE ARG A 29 5.997 -9.272 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.237 -10.688 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.202 -11.167 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.968 -9.890 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.361 -10.718 10.048 1.00 0.00 H new ATOM 510 N ARG A 30 5.166 -4.674 4.823 1.00 0.00 N ATOM 511 CA ARG A 30 4.562 -3.471 5.379 1.00 0.00 C ATOM 512 C ARG A 30 3.508 -2.913 4.433 1.00 0.00 C ATOM 513 O ARG A 30 2.401 -2.582 4.850 1.00 0.00 O ATOM 514 CB ARG A 30 5.624 -2.405 5.644 1.00 0.00 C ATOM 515 CG ARG A 30 6.109 -2.372 7.085 1.00 0.00 C ATOM 516 CD ARG A 30 6.727 -3.698 7.498 1.00 0.00 C ATOM 517 NE ARG A 30 6.315 -4.098 8.842 1.00 0.00 N ATOM 518 CZ ARG A 30 6.979 -4.974 9.592 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.085 -5.548 9.134 1.00 0.00 N ATOM 520 NH2 ARG A 30 6.535 -5.279 10.804 1.00 0.00 N ATOM 0 H ARG A 30 6.164 -4.597 4.629 1.00 0.00 H new ATOM 0 HA ARG A 30 4.088 -3.742 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.476 -2.582 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.218 -1.427 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.843 -1.575 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.274 -2.138 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.438 -4.470 6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.813 -3.619 7.460 1.00 0.00 H new ATOM 0 HE ARG A 30 5.468 -3.681 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.430 -5.318 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.589 -6.219 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.685 -4.842 11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.043 -5.950 11.379 1.00 0.00 H new ATOM 534 N LEU A 31 3.858 -2.812 3.155 1.00 0.00 N ATOM 535 CA LEU A 31 2.932 -2.289 2.156 1.00 0.00 C ATOM 536 C LEU A 31 1.587 -2.997 2.248 1.00 0.00 C ATOM 537 O LEU A 31 0.540 -2.358 2.344 1.00 0.00 O ATOM 538 CB LEU A 31 3.509 -2.448 0.746 1.00 0.00 C ATOM 539 CG LEU A 31 2.540 -2.121 -0.396 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.856 -0.780 -0.156 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.273 -2.119 -1.731 1.00 0.00 C ATOM 0 H LEU A 31 4.770 -3.083 2.788 1.00 0.00 H new ATOM 0 HA LEU A 31 2.785 -1.228 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.384 -1.805 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.854 -3.475 0.626 1.00 0.00 H new ATOM 0 HG LEU A 31 1.771 -2.893 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.173 -0.568 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.297 -0.819 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.608 0.007 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.571 -1.885 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.063 -1.369 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.710 -3.102 -1.908 1.00 0.00 H new ATOM 553 N GLY A 32 1.626 -4.322 2.222 1.00 0.00 N ATOM 554 CA GLY A 32 0.409 -5.100 2.305 1.00 0.00 C ATOM 555 C GLY A 32 -0.256 -4.993 3.661 1.00 0.00 C ATOM 556 O GLY A 32 -1.450 -4.712 3.753 1.00 0.00 O ATOM 0 H GLY A 32 2.482 -4.872 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.286 -4.764 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.635 -6.146 2.096 1.00 0.00 H new ATOM 560 N HIS A 33 0.518 -5.218 4.717 1.00 0.00 N ATOM 561 CA HIS A 33 -0.010 -5.145 6.072 1.00 0.00 C ATOM 562 C HIS A 33 -0.562 -3.754 6.361 1.00 0.00 C ATOM 563 O HIS A 33 -1.551 -3.608 7.079 1.00 0.00 O ATOM 564 CB HIS A 33 1.075 -5.503 7.089 1.00 0.00 C ATOM 565 CG HIS A 33 0.575 -6.338 8.227 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.310 -5.824 9.479 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.292 -7.660 8.297 1.00 0.00 C ATOM 568 CE1 HIS A 33 -0.115 -6.793 10.269 1.00 0.00 C ATOM 569 NE2 HIS A 33 -0.135 -7.917 9.577 1.00 0.00 N ATOM 0 H HIS A 33 1.509 -5.452 4.660 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.823 -5.865 6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.876 -6.039 6.580 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.508 -4.584 7.485 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.385 -8.378 7.496 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.398 -6.684 11.306 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.421 -8.828 9.935 1.00 0.00 H new ATOM 578 N ARG A 34 0.065 -2.733 5.779 1.00 0.00 N ATOM 579 CA ARG A 34 -0.395 -1.367 5.968 1.00 0.00 C ATOM 580 C ARG A 34 -1.578 -1.118 5.052 1.00 0.00 C ATOM 581 O ARG A 34 -2.598 -0.555 5.462 1.00 0.00 O ATOM 582 CB ARG A 34 0.733 -0.370 5.692 1.00 0.00 C ATOM 583 CG ARG A 34 1.710 -0.236 6.852 1.00 0.00 C ATOM 584 CD ARG A 34 3.147 -0.479 6.412 1.00 0.00 C ATOM 585 NE ARG A 34 4.105 0.274 7.218 1.00 0.00 N ATOM 586 CZ ARG A 34 4.347 0.029 8.503 1.00 0.00 C ATOM 587 NH1 ARG A 34 3.714 -0.953 9.132 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.231 0.768 9.163 1.00 0.00 N ATOM 0 H ARG A 34 0.884 -2.828 5.179 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.705 -1.226 7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.277 -0.684 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.301 0.607 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.626 0.761 7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.444 -0.947 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.372 -1.543 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.257 -0.199 5.364 1.00 0.00 H new ATOM 0 HE ARG A 34 4.619 1.032 6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.036 -1.527 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.905 -1.134 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.723 1.522 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.418 0.581 10.148 1.00 0.00 H new ATOM 602 N VAL A 35 -1.457 -1.588 3.814 1.00 0.00 N ATOM 603 CA VAL A 35 -2.539 -1.462 2.849 1.00 0.00 C ATOM 604 C VAL A 35 -3.811 -2.041 3.459 1.00 0.00 C ATOM 605 O VAL A 35 -4.876 -1.427 3.413 1.00 0.00 O ATOM 606 CB VAL A 35 -2.206 -2.196 1.528 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.472 -2.587 0.777 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.310 -1.332 0.653 1.00 0.00 C ATOM 0 H VAL A 35 -0.624 -2.057 3.459 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.679 -0.407 2.614 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.672 -3.113 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.203 -3.101 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.074 -3.250 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.046 -1.691 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.085 -1.862 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.820 -0.397 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.382 -1.117 1.183 1.00 0.00 H new ATOM 618 N LEU A 36 -3.672 -3.222 4.061 1.00 0.00 N ATOM 619 CA LEU A 36 -4.792 -3.884 4.719 1.00 0.00 C ATOM 620 C LEU A 36 -5.422 -2.943 5.738 1.00 0.00 C ATOM 621 O LEU A 36 -6.643 -2.844 5.840 1.00 0.00 O ATOM 622 CB LEU A 36 -4.322 -5.161 5.429 1.00 0.00 C ATOM 623 CG LEU A 36 -4.039 -6.363 4.524 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.890 -7.630 5.353 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.145 -6.534 3.498 1.00 0.00 C ATOM 0 H LEU A 36 -2.793 -3.738 4.105 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.528 -4.151 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.415 -4.930 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.081 -5.449 6.157 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.103 -6.179 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.689 -8.475 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.063 -7.512 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.811 -7.813 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.924 -7.394 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.094 -6.694 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.212 -5.637 2.882 1.00 0.00 H new ATOM 637 N GLY A 37 -4.567 -2.247 6.484 1.00 0.00 N ATOM 638 CA GLY A 37 -5.042 -1.311 7.487 1.00 0.00 C ATOM 639 C GLY A 37 -5.956 -0.253 6.900 1.00 0.00 C ATOM 640 O GLY A 37 -6.795 0.307 7.600 1.00 0.00 O ATOM 0 H GLY A 37 -3.552 -2.316 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.575 -1.856 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.189 -0.827 7.963 1.00 0.00 H new ATOM 644 N LEU A 38 -5.796 0.012 5.610 1.00 0.00 N ATOM 645 CA LEU A 38 -6.622 1.002 4.927 1.00 0.00 C ATOM 646 C LEU A 38 -7.971 0.398 4.561 1.00 0.00 C ATOM 647 O LEU A 38 -8.993 1.083 4.557 1.00 0.00 O ATOM 648 CB LEU A 38 -5.918 1.508 3.669 1.00 0.00 C ATOM 649 CG LEU A 38 -4.470 1.953 3.869 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.852 2.343 2.539 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.393 3.112 4.852 1.00 0.00 C ATOM 0 H LEU A 38 -5.103 -0.443 5.015 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.781 1.844 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.938 0.718 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.487 2.346 3.266 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.907 1.117 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.820 2.658 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.872 1.487 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.420 3.164 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.353 3.413 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.970 3.954 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.801 2.801 5.814 1.00 0.00 H new ATOM 663 N ILE A 39 -7.960 -0.897 4.266 1.00 0.00 N ATOM 664 CA ILE A 39 -9.172 -1.615 3.909 1.00 0.00 C ATOM 665 C ILE A 39 -9.855 -2.162 5.161 1.00 0.00 C ATOM 666 O ILE A 39 -11.035 -2.514 5.137 1.00 0.00 O ATOM 667 CB ILE A 39 -8.874 -2.768 2.909 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.965 -4.143 3.582 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.500 -2.589 2.279 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.559 -5.290 2.676 1.00 0.00 C ATOM 0 H ILE A 39 -7.118 -1.472 4.268 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.844 -0.911 3.418 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.635 -2.724 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.329 -4.148 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.988 -4.305 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.310 -3.406 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.466 -1.640 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.739 -2.593 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.648 -6.231 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.210 -5.312 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.526 -5.152 2.355 1.00 0.00 H new ATOM 682 N LYS A 40 -9.096 -2.236 6.252 1.00 0.00 N ATOM 683 CA LYS A 40 -9.616 -2.748 7.518 1.00 0.00 C ATOM 684 C LYS A 40 -10.881 -2.001 7.957 1.00 0.00 C ATOM 685 O LYS A 40 -11.893 -2.627 8.271 1.00 0.00 O ATOM 686 CB LYS A 40 -8.545 -2.660 8.611 1.00 0.00 C ATOM 687 CG LYS A 40 -7.613 -3.863 8.659 1.00 0.00 C ATOM 688 CD LYS A 40 -8.382 -5.173 8.737 1.00 0.00 C ATOM 689 CE LYS A 40 -7.519 -6.291 9.302 1.00 0.00 C ATOM 690 NZ LYS A 40 -8.088 -7.635 9.007 1.00 0.00 N ATOM 0 H LYS A 40 -8.118 -1.948 6.285 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.884 -3.793 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.952 -1.759 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.035 -2.554 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.979 -3.867 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.953 -3.777 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.265 -5.042 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.734 -5.450 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.515 -6.222 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.423 -6.166 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.471 -8.369 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.036 -7.711 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.156 -7.765 7.977 1.00 0.00 H new ATOM 704 N PRO A 41 -10.850 -0.653 7.990 1.00 0.00 N ATOM 705 CA PRO A 41 -12.009 0.149 8.399 1.00 0.00 C ATOM 706 C PRO A 41 -13.162 0.028 7.413 1.00 0.00 C ATOM 707 O PRO A 41 -14.329 0.013 7.807 1.00 0.00 O ATOM 708 CB PRO A 41 -11.474 1.593 8.436 1.00 0.00 C ATOM 709 CG PRO A 41 -9.988 1.469 8.375 1.00 0.00 C ATOM 710 CD PRO A 41 -9.701 0.189 7.642 1.00 0.00 C ATOM 0 HA PRO A 41 -12.412 -0.181 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.854 2.174 7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.788 2.105 9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.548 2.321 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.558 1.448 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.627 0.347 6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.760 -0.258 7.963 1.00 0.00 H new ATOM 718 N LEU A 42 -12.835 -0.071 6.131 1.00 0.00 N ATOM 719 CA LEU A 42 -13.855 -0.208 5.102 1.00 0.00 C ATOM 720 C LEU A 42 -14.642 -1.489 5.317 1.00 0.00 C ATOM 721 O LEU A 42 -15.851 -1.534 5.098 1.00 0.00 O ATOM 722 CB LEU A 42 -13.230 -0.220 3.712 1.00 0.00 C ATOM 723 CG LEU A 42 -12.246 0.911 3.429 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.366 0.547 2.247 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.989 2.213 3.169 1.00 0.00 C ATOM 0 H LEU A 42 -11.877 -0.059 5.781 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.525 0.648 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.715 -1.171 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.029 -0.178 2.972 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.612 1.055 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.666 1.359 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.811 -0.364 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.988 0.384 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.271 3.008 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.645 2.092 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.584 2.473 4.044 1.00 0.00 H new ATOM 737 N GLU A 43 -13.946 -2.532 5.759 1.00 0.00 N ATOM 738 CA GLU A 43 -14.581 -3.815 6.013 1.00 0.00 C ATOM 739 C GLU A 43 -15.794 -3.631 6.920 1.00 0.00 C ATOM 740 O GLU A 43 -16.775 -4.363 6.821 1.00 0.00 O ATOM 741 CB GLU A 43 -13.590 -4.792 6.649 1.00 0.00 C ATOM 742 CG GLU A 43 -12.559 -5.332 5.673 1.00 0.00 C ATOM 743 CD GLU A 43 -11.886 -6.594 6.175 1.00 0.00 C ATOM 744 OE1 GLU A 43 -11.146 -6.514 7.178 1.00 0.00 O ATOM 745 OE2 GLU A 43 -12.102 -7.664 5.568 1.00 0.00 O ATOM 0 H GLU A 43 -12.944 -2.511 5.948 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.911 -4.230 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.075 -4.292 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.142 -5.627 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.041 -5.537 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.802 -4.569 5.491 1.00 0.00 H new ATOM 752 N MET A 44 -15.725 -2.635 7.796 1.00 0.00 N ATOM 753 CA MET A 44 -16.828 -2.348 8.702 1.00 0.00 C ATOM 754 C MET A 44 -17.852 -1.438 8.026 1.00 0.00 C ATOM 755 O MET A 44 -19.015 -1.384 8.425 1.00 0.00 O ATOM 756 CB MET A 44 -16.307 -1.688 9.979 1.00 0.00 C ATOM 757 CG MET A 44 -15.224 -2.492 10.680 1.00 0.00 C ATOM 758 SD MET A 44 -14.232 -1.490 11.804 1.00 0.00 S ATOM 759 CE MET A 44 -12.933 -2.646 12.231 1.00 0.00 C ATOM 0 H MET A 44 -14.921 -2.016 7.897 1.00 0.00 H new ATOM 0 HA MET A 44 -17.313 -3.289 8.962 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.914 -0.701 9.734 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.139 -1.538 10.667 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.686 -3.307 11.237 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.573 -2.945 9.933 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.237 -2.172 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.370 -3.526 12.702 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.400 -2.945 11.328 1.00 0.00 H new ATOM 769 N LEU A 45 -17.400 -0.711 7.007 1.00 0.00 N ATOM 770 CA LEU A 45 -18.255 0.216 6.273 1.00 0.00 C ATOM 771 C LEU A 45 -18.938 -0.445 5.073 1.00 0.00 C ATOM 772 O LEU A 45 -20.165 -0.452 4.975 1.00 0.00 O ATOM 773 CB LEU A 45 -17.427 1.409 5.791 1.00 0.00 C ATOM 774 CG LEU A 45 -17.578 2.684 6.616 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.613 2.675 7.792 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.347 3.906 5.740 1.00 0.00 C ATOM 0 H LEU A 45 -16.438 -0.748 6.669 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.037 0.546 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.376 1.122 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.703 1.629 4.760 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.593 2.728 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.734 3.592 8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.823 1.815 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.590 2.612 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.457 4.810 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.341 3.869 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.077 3.916 4.930 1.00 0.00 H new ATOM 788 N GLN A 46 -18.138 -0.962 4.143 1.00 0.00 N ATOM 789 CA GLN A 46 -18.674 -1.580 2.931 1.00 0.00 C ATOM 790 C GLN A 46 -19.222 -2.988 3.172 1.00 0.00 C ATOM 791 O GLN A 46 -20.318 -3.312 2.713 1.00 0.00 O ATOM 792 CB GLN A 46 -17.602 -1.614 1.838 1.00 0.00 C ATOM 793 CG GLN A 46 -16.461 -2.576 2.119 1.00 0.00 C ATOM 794 CD GLN A 46 -16.760 -3.987 1.651 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.357 -4.188 0.594 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.343 -4.972 2.438 1.00 0.00 N ATOM 0 H GLN A 46 -17.120 -0.966 4.204 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.513 -0.964 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.070 -1.889 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.195 -0.611 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.558 -2.217 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.256 -2.588 3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.852 -4.758 3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.514 -5.942 2.175 1.00 0.00 H new ATOM 805 N ASP A 47 -18.464 -3.831 3.868 1.00 0.00 N ATOM 806 CA ASP A 47 -18.902 -5.204 4.124 1.00 0.00 C ATOM 807 C ASP A 47 -20.306 -5.241 4.724 1.00 0.00 C ATOM 808 O ASP A 47 -21.134 -6.063 4.331 1.00 0.00 O ATOM 809 CB ASP A 47 -17.921 -5.925 5.047 1.00 0.00 C ATOM 810 CG ASP A 47 -17.820 -7.405 4.738 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.993 -7.780 3.559 1.00 0.00 O ATOM 812 OD2 ASP A 47 -17.566 -8.191 5.675 1.00 0.00 O ATOM 0 H ASP A 47 -17.554 -3.594 4.262 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.928 -5.720 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.936 -5.469 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.236 -5.793 6.082 1.00 0.00 H new ATOM 928 N SER A 55 -20.858 8.389 -3.773 1.00 0.00 N ATOM 929 CA SER A 55 -20.763 9.756 -4.272 1.00 0.00 C ATOM 930 C SER A 55 -19.674 9.874 -5.333 1.00 0.00 C ATOM 931 O SER A 55 -18.790 9.023 -5.427 1.00 0.00 O ATOM 932 CB SER A 55 -20.477 10.722 -3.121 1.00 0.00 C ATOM 933 OG SER A 55 -21.647 10.969 -2.360 1.00 0.00 O ATOM 0 HA SER A 55 -21.718 10.017 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.702 10.306 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.092 11.662 -3.518 1.00 0.00 H new ATOM 0 HG SER A 55 -21.426 10.950 -1.405 1.00 0.00 H new ATOM 939 N GLU A 56 -19.745 10.934 -6.131 1.00 0.00 N ATOM 940 CA GLU A 56 -18.765 11.163 -7.187 1.00 0.00 C ATOM 941 C GLU A 56 -17.366 11.329 -6.605 1.00 0.00 C ATOM 942 O GLU A 56 -16.376 10.938 -7.223 1.00 0.00 O ATOM 943 CB GLU A 56 -19.141 12.403 -8.000 1.00 0.00 C ATOM 944 CG GLU A 56 -18.286 12.597 -9.242 1.00 0.00 C ATOM 945 CD GLU A 56 -17.925 14.051 -9.480 1.00 0.00 C ATOM 946 OE1 GLU A 56 -16.992 14.548 -8.814 1.00 0.00 O ATOM 947 OE2 GLU A 56 -18.576 14.692 -10.331 1.00 0.00 O ATOM 0 H GLU A 56 -20.471 11.648 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.765 10.292 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.187 12.329 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.051 13.285 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.372 12.011 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.821 12.212 -10.110 1.00 0.00 H new ATOM 954 N LYS A 57 -17.290 11.910 -5.412 1.00 0.00 N ATOM 955 CA LYS A 57 -16.010 12.129 -4.748 1.00 0.00 C ATOM 956 C LYS A 57 -15.495 10.839 -4.117 1.00 0.00 C ATOM 957 O LYS A 57 -14.316 10.506 -4.236 1.00 0.00 O ATOM 958 CB LYS A 57 -16.145 13.214 -3.678 1.00 0.00 C ATOM 959 CG LYS A 57 -15.828 14.612 -4.187 1.00 0.00 C ATOM 960 CD LYS A 57 -16.862 15.625 -3.723 1.00 0.00 C ATOM 961 CE LYS A 57 -16.918 15.709 -2.205 1.00 0.00 C ATOM 962 NZ LYS A 57 -18.317 15.820 -1.707 1.00 0.00 N ATOM 0 H LYS A 57 -18.100 12.238 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.292 12.456 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.162 13.201 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.479 12.979 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.841 14.912 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.790 14.603 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.622 16.606 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.843 15.348 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.448 14.824 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.343 16.571 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.323 16.330 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.892 16.339 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.714 14.868 -1.571 1.00 0.00 H new ATOM 976 N LEU A 58 -16.387 10.115 -3.447 1.00 0.00 N ATOM 977 CA LEU A 58 -16.022 8.862 -2.798 1.00 0.00 C ATOM 978 C LEU A 58 -15.474 7.864 -3.812 1.00 0.00 C ATOM 979 O LEU A 58 -14.402 7.289 -3.616 1.00 0.00 O ATOM 980 CB LEU A 58 -17.234 8.266 -2.078 1.00 0.00 C ATOM 981 CG LEU A 58 -17.017 6.878 -1.468 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.737 6.847 -0.646 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.211 6.480 -0.612 1.00 0.00 C ATOM 0 H LEU A 58 -17.367 10.375 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.242 9.073 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.537 8.950 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.063 8.209 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.919 6.158 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.601 5.852 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.888 7.087 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.804 7.579 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.040 5.491 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.339 7.204 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.110 6.459 -1.228 1.00 0.00 H new ATOM 995 N THR A 59 -16.214 7.664 -4.898 1.00 0.00 N ATOM 996 CA THR A 59 -15.796 6.738 -5.944 1.00 0.00 C ATOM 997 C THR A 59 -14.448 7.154 -6.523 1.00 0.00 C ATOM 998 O THR A 59 -13.584 6.314 -6.773 1.00 0.00 O ATOM 999 CB THR A 59 -16.852 6.675 -7.052 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.666 5.522 -7.854 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.837 7.878 -7.971 1.00 0.00 C ATOM 0 H THR A 59 -17.104 8.130 -5.076 1.00 0.00 H new ATOM 0 HA THR A 59 -15.691 5.747 -5.503 1.00 0.00 H new ATOM 0 HB THR A 59 -17.810 6.650 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.350 5.498 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.610 7.765 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.027 8.781 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.863 7.955 -8.454 1.00 0.00 H new ATOM 1009 N THR A 60 -14.273 8.456 -6.731 1.00 0.00 N ATOM 1010 CA THR A 60 -13.026 8.981 -7.277 1.00 0.00 C ATOM 1011 C THR A 60 -11.864 8.650 -6.348 1.00 0.00 C ATOM 1012 O THR A 60 -10.751 8.380 -6.800 1.00 0.00 O ATOM 1013 CB THR A 60 -13.136 10.497 -7.502 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.676 10.842 -8.796 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.354 11.328 -6.505 1.00 0.00 C ATOM 0 H THR A 60 -14.978 9.165 -6.530 1.00 0.00 H new ATOM 0 HA THR A 60 -12.837 8.509 -8.241 1.00 0.00 H new ATOM 0 HB THR A 60 -14.195 10.723 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.754 11.810 -8.924 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.484 12.386 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.718 11.126 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.297 11.071 -6.567 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.135 8.653 -5.046 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.115 8.329 -4.060 1.00 0.00 C ATOM 1025 C ALA A 61 -10.813 6.847 -4.121 1.00 0.00 C ATOM 1026 O ALA A 61 -9.669 6.437 -4.313 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.568 8.722 -2.665 1.00 0.00 C ATOM 0 H ALA A 61 -13.049 8.876 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.210 8.892 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.789 8.470 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.759 9.795 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.482 8.184 -2.414 1.00 0.00 H new ATOM 1033 N MET A 62 -11.863 6.043 -3.988 1.00 0.00 N ATOM 1034 CA MET A 62 -11.730 4.603 -4.062 1.00 0.00 C ATOM 1035 C MET A 62 -11.130 4.223 -5.407 1.00 0.00 C ATOM 1036 O MET A 62 -10.409 3.233 -5.523 1.00 0.00 O ATOM 1037 CB MET A 62 -13.093 3.940 -3.870 1.00 0.00 C ATOM 1038 CG MET A 62 -13.777 4.339 -2.572 1.00 0.00 C ATOM 1039 SD MET A 62 -15.525 3.898 -2.538 1.00 0.00 S ATOM 1040 CE MET A 62 -15.478 2.299 -3.337 1.00 0.00 C ATOM 0 H MET A 62 -12.815 6.371 -3.828 1.00 0.00 H new ATOM 0 HA MET A 62 -11.069 4.255 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.738 4.202 -4.708 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.969 2.857 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.269 3.857 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.676 5.415 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.285 1.676 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.600 2.426 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.520 1.819 -3.135 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.405 5.044 -6.423 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.857 4.812 -7.750 1.00 0.00 C ATOM 1052 C ASN A 63 -9.347 4.955 -7.682 1.00 0.00 C ATOM 1053 O ASN A 63 -8.603 4.063 -8.088 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.438 5.802 -8.762 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.701 5.285 -9.421 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.718 4.192 -9.989 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.769 6.071 -9.349 1.00 0.00 N ATOM 0 H ASN A 63 -12.001 5.869 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.122 3.808 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.654 6.745 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.692 6.013 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.648 5.777 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.710 6.969 -8.868 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.904 6.075 -7.117 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.484 6.325 -6.936 1.00 0.00 C ATOM 1066 C ARG A 64 -6.908 5.238 -6.041 1.00 0.00 C ATOM 1067 O ARG A 64 -5.759 4.830 -6.189 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.267 7.696 -6.291 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.894 8.787 -7.276 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.125 9.506 -7.805 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.814 10.853 -8.277 1.00 0.00 N ATOM 1072 CZ ARG A 64 -7.672 11.906 -7.475 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -7.809 11.772 -6.161 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -7.393 13.096 -7.987 1.00 0.00 N ATOM 0 H ARG A 64 -9.511 6.821 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.984 6.315 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.177 7.988 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.481 7.613 -5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.232 9.505 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.339 8.353 -8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.560 8.928 -8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.877 9.563 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.699 10.995 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.024 10.859 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.699 12.582 -5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.287 13.205 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.284 13.903 -7.372 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.743 4.778 -5.113 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.373 3.732 -4.173 1.00 0.00 C ATOM 1090 C PHE A 65 -7.131 2.420 -4.902 1.00 0.00 C ATOM 1091 O PHE A 65 -6.023 1.882 -4.891 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.502 3.564 -3.158 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.105 2.935 -1.854 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.777 2.852 -1.455 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.084 2.437 -1.017 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.443 2.277 -0.243 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.759 1.866 0.192 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.435 1.783 0.582 1.00 0.00 C ATOM 0 H PHE A 65 -8.696 5.123 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.451 4.012 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.933 4.544 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.288 2.959 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.999 3.240 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.120 2.497 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.408 2.214 0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.537 1.483 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.177 1.333 1.529 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.179 1.916 -5.540 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.099 0.671 -6.288 1.00 0.00 C ATOM 1110 C LYS A 66 -6.958 0.723 -7.300 1.00 0.00 C ATOM 1111 O LYS A 66 -6.255 -0.266 -7.509 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.455 0.406 -6.959 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.382 -0.286 -8.303 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.433 0.715 -9.448 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.130 0.740 -10.230 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.286 0.148 -11.588 1.00 0.00 N ATOM 0 H LYS A 66 -9.100 2.355 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.880 -0.156 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.063 -0.201 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.973 1.357 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.461 -0.866 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.209 -0.990 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.255 0.461 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.640 1.710 -9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.780 1.768 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.366 0.191 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.375 0.184 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.595 -0.841 -11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.997 0.688 -12.122 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.766 1.886 -7.908 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.695 2.067 -8.878 1.00 0.00 C ATOM 1132 C ALA A 67 -4.348 2.167 -8.169 1.00 0.00 C ATOM 1133 O ALA A 67 -3.374 1.517 -8.558 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.945 3.307 -9.723 1.00 0.00 C ATOM 0 H ALA A 67 -7.336 2.716 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.676 1.200 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.135 3.427 -10.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.890 3.200 -10.255 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.990 4.184 -9.078 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.304 2.975 -7.112 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.084 3.151 -6.334 1.00 0.00 C ATOM 1142 C ALA A 68 -2.566 1.805 -5.852 1.00 0.00 C ATOM 1143 O ALA A 68 -1.358 1.589 -5.752 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.333 4.084 -5.156 1.00 0.00 C ATOM 0 H ALA A 68 -5.100 3.517 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.326 3.603 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.412 4.204 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.661 5.056 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.105 3.660 -4.513 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.493 0.896 -5.573 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.137 -0.439 -5.122 1.00 0.00 C ATOM 1152 C LEU A 69 -2.362 -1.163 -6.208 1.00 0.00 C ATOM 1153 O LEU A 69 -1.266 -1.670 -5.968 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.390 -1.228 -4.757 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.927 -0.946 -3.360 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.435 -1.132 -3.317 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.238 -1.842 -2.345 1.00 0.00 C ATOM 0 H LEU A 69 -4.496 1.062 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.510 -0.353 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.170 -1.004 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.171 -2.293 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.712 0.092 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.798 -0.926 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.906 -0.446 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.683 -2.158 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.629 -1.632 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.425 -2.886 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.165 -1.651 -2.361 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.929 -1.190 -7.412 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.281 -1.831 -8.550 1.00 0.00 C ATOM 1171 C GLU A 70 -0.808 -1.452 -8.581 1.00 0.00 C ATOM 1172 O GLU A 70 0.044 -2.248 -8.972 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.960 -1.421 -9.858 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.028 -2.398 -10.321 1.00 0.00 C ATOM 1175 CD GLU A 70 -3.504 -3.400 -11.332 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -2.469 -4.042 -11.050 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -4.127 -3.544 -12.404 1.00 0.00 O ATOM 0 H GLU A 70 -3.836 -0.775 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.371 -2.912 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.410 -0.437 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.203 -1.327 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.425 -2.932 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.857 -1.843 -10.761 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.515 -0.233 -8.135 1.00 0.00 N ATOM 1185 CA GLU A 71 0.858 0.241 -8.079 1.00 0.00 C ATOM 1186 C GLU A 71 1.636 -0.593 -7.066 1.00 0.00 C ATOM 1187 O GLU A 71 2.683 -1.157 -7.388 1.00 0.00 O ATOM 1188 CB GLU A 71 0.897 1.724 -7.706 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.180 2.550 -8.396 1.00 0.00 C ATOM 1190 CD GLU A 71 -0.284 2.256 -9.880 1.00 0.00 C ATOM 1191 OE1 GLU A 71 -0.915 1.241 -10.242 1.00 0.00 O ATOM 1192 OE2 GLU A 71 0.266 3.042 -10.681 1.00 0.00 O ATOM 0 H GLU A 71 -1.209 0.439 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 71 1.320 0.132 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.784 1.822 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.876 2.130 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.142 2.353 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.034 3.609 -8.254 1.00 0.00 H new ATOM 1199 N ALA A 72 1.102 -0.695 -5.848 1.00 0.00 N ATOM 1200 CA ALA A 72 1.734 -1.494 -4.808 1.00 0.00 C ATOM 1201 C ALA A 72 1.807 -2.950 -5.249 1.00 0.00 C ATOM 1202 O ALA A 72 2.873 -3.565 -5.223 1.00 0.00 O ATOM 1203 CB ALA A 72 0.969 -1.371 -3.499 1.00 0.00 C ATOM 0 H ALA A 72 0.237 -0.235 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 72 2.746 -1.123 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.457 -1.975 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.954 -0.328 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.053 -1.721 -3.641 1.00 0.00 H new ATOM 1209 N ASN A 73 0.665 -3.492 -5.673 1.00 0.00 N ATOM 1210 CA ASN A 73 0.604 -4.872 -6.142 1.00 0.00 C ATOM 1211 C ASN A 73 1.577 -5.075 -7.296 1.00 0.00 C ATOM 1212 O ASN A 73 2.293 -6.074 -7.354 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.814 -5.227 -6.592 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.104 -6.710 -6.467 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.594 -7.382 -5.571 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.927 -7.230 -7.371 1.00 0.00 N ATOM 0 H ASN A 73 -0.226 -2.997 -5.700 1.00 0.00 H new ATOM 0 HA ASN A 73 0.882 -5.528 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.533 -4.667 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.952 -4.918 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.158 -8.223 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.328 -6.636 -8.097 1.00 0.00 H new ATOM 1223 N GLY A 74 1.604 -4.106 -8.206 1.00 0.00 N ATOM 1224 CA GLY A 74 2.501 -4.181 -9.340 1.00 0.00 C ATOM 1225 C GLY A 74 3.946 -4.095 -8.904 1.00 0.00 C ATOM 1226 O GLY A 74 4.810 -4.791 -9.438 1.00 0.00 O ATOM 0 H GLY A 74 1.019 -3.271 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.336 -5.116 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.280 -3.371 -10.035 1.00 0.00 H new ATOM 1230 N GLU A 75 4.203 -3.247 -7.913 1.00 0.00 N ATOM 1231 CA GLU A 75 5.545 -3.080 -7.381 1.00 0.00 C ATOM 1232 C GLU A 75 5.975 -4.350 -6.658 1.00 0.00 C ATOM 1233 O GLU A 75 7.130 -4.766 -6.736 1.00 0.00 O ATOM 1234 CB GLU A 75 5.594 -1.880 -6.428 1.00 0.00 C ATOM 1235 CG GLU A 75 5.619 -0.537 -7.137 1.00 0.00 C ATOM 1236 CD GLU A 75 7.025 -0.083 -7.478 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.651 -0.702 -8.365 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.500 0.894 -6.861 1.00 0.00 O ATOM 0 H GLU A 75 3.496 -2.665 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 75 6.233 -2.893 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.727 -1.916 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.479 -1.964 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.031 -0.603 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.143 0.212 -6.505 1.00 0.00 H new ATOM 1245 N ILE A 76 5.024 -4.969 -5.967 1.00 0.00 N ATOM 1246 CA ILE A 76 5.281 -6.203 -5.239 1.00 0.00 C ATOM 1247 C ILE A 76 5.387 -7.384 -6.199 1.00 0.00 C ATOM 1248 O ILE A 76 6.086 -8.360 -5.927 1.00 0.00 O ATOM 1249 CB ILE A 76 4.166 -6.486 -4.210 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.084 -5.349 -3.192 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.406 -7.816 -3.507 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.735 -5.241 -2.515 1.00 0.00 C ATOM 0 H ILE A 76 4.064 -4.633 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 76 6.227 -6.078 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 76 3.216 -6.548 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.852 -5.496 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.307 -4.407 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.608 -7.996 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.418 -8.620 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.364 -7.786 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.749 -4.413 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.965 -5.063 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.518 -6.169 -1.986 1.00 0.00 H new ATOM 1264 N GLU A 77 4.684 -7.289 -7.322 1.00 0.00 N ATOM 1265 CA GLU A 77 4.697 -8.348 -8.322 1.00 0.00 C ATOM 1266 C GLU A 77 5.957 -8.274 -9.178 1.00 0.00 C ATOM 1267 O GLU A 77 6.534 -9.301 -9.539 1.00 0.00 O ATOM 1268 CB GLU A 77 3.453 -8.252 -9.210 1.00 0.00 C ATOM 1269 CG GLU A 77 3.446 -9.248 -10.358 1.00 0.00 C ATOM 1270 CD GLU A 77 2.329 -8.987 -11.350 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.187 -9.417 -11.084 1.00 0.00 O ATOM 1272 OE2 GLU A 77 2.597 -8.354 -12.392 1.00 0.00 O ATOM 0 H GLU A 77 4.098 -6.489 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 77 4.691 -9.306 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.566 -8.411 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.383 -7.243 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.404 -9.206 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.343 -10.257 -9.958 1.00 0.00 H new ATOM 1279 N LYS A 78 6.379 -7.057 -9.504 1.00 0.00 N ATOM 1280 CA LYS A 78 7.569 -6.857 -10.322 1.00 0.00 C ATOM 1281 C LYS A 78 8.843 -7.098 -9.515 1.00 0.00 C ATOM 1282 O LYS A 78 9.911 -7.325 -10.084 1.00 0.00 O ATOM 1283 CB LYS A 78 7.579 -5.442 -10.906 1.00 0.00 C ATOM 1284 CG LYS A 78 7.319 -5.402 -12.404 1.00 0.00 C ATOM 1285 CD LYS A 78 5.848 -5.166 -12.708 1.00 0.00 C ATOM 1286 CE LYS A 78 5.025 -6.425 -12.481 1.00 0.00 C ATOM 1287 NZ LYS A 78 4.912 -7.245 -13.719 1.00 0.00 N ATOM 0 H LYS A 78 5.915 -6.196 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 78 7.541 -7.581 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.824 -4.843 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.544 -4.979 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.917 -4.611 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.639 -6.341 -12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.469 -4.363 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.737 -4.838 -13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.483 -7.021 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.028 -6.150 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.098 -7.887 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.778 -6.619 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.781 -7.802 -13.847 1.00 0.00 H new ATOM 1301 N PHE A 79 8.730 -7.040 -8.191 1.00 0.00 N ATOM 1302 CA PHE A 79 9.881 -7.243 -7.322 1.00 0.00 C ATOM 1303 C PHE A 79 9.923 -8.663 -6.766 1.00 0.00 C ATOM 1304 O PHE A 79 10.586 -8.923 -5.761 1.00 0.00 O ATOM 1305 CB PHE A 79 9.848 -6.228 -6.181 1.00 0.00 C ATOM 1306 CG PHE A 79 10.367 -4.879 -6.582 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.541 -4.766 -7.307 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.679 -3.727 -6.243 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.019 -3.531 -7.686 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.154 -2.484 -6.619 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.326 -2.386 -7.341 1.00 0.00 C ATOM 0 H PHE A 79 7.856 -6.855 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 79 10.784 -7.097 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.824 -6.125 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.441 -6.606 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.088 -5.657 -7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.761 -3.800 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.935 -3.457 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.609 -1.592 -6.348 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.701 -1.417 -7.636 1.00 0.00 H new ATOM 1321 N SER A 80 9.217 -9.580 -7.419 1.00 0.00 N ATOM 1322 CA SER A 80 9.183 -10.969 -6.980 1.00 0.00 C ATOM 1323 C SER A 80 10.482 -11.684 -7.339 1.00 0.00 C ATOM 1324 O SER A 80 10.916 -12.593 -6.632 1.00 0.00 O ATOM 1325 CB SER A 80 7.995 -11.697 -7.610 1.00 0.00 C ATOM 1326 OG SER A 80 7.492 -12.700 -6.745 1.00 0.00 O ATOM 0 H SER A 80 8.662 -9.386 -8.252 1.00 0.00 H new ATOM 0 HA SER A 80 9.071 -10.979 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.206 -10.981 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.300 -12.147 -8.555 1.00 0.00 H new ATOM 0 HG SER A 80 6.732 -13.149 -7.171 1.00 0.00 H new ATOM 1332 N ASN A 81 11.099 -11.265 -8.438 1.00 0.00 N ATOM 1333 CA ASN A 81 12.350 -11.864 -8.888 1.00 0.00 C ATOM 1334 C ASN A 81 13.545 -11.172 -8.242 1.00 0.00 C ATOM 1335 O ASN A 81 13.630 -9.944 -8.226 1.00 0.00 O ATOM 1336 CB ASN A 81 12.459 -11.784 -10.411 1.00 0.00 C ATOM 1337 CG ASN A 81 11.692 -12.893 -11.105 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.530 -13.149 -10.791 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.341 -13.557 -12.054 1.00 0.00 N ATOM 0 H ASN A 81 10.753 -10.513 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 81 12.353 -12.912 -8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 81 12.082 -10.819 -10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.509 -11.836 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.876 -14.314 -12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.304 -13.310 -12.281 1.00 0.00 H new ATOM 1346 N ARG A 82 14.468 -11.967 -7.708 1.00 0.00 N ATOM 1347 CA ARG A 82 15.659 -11.429 -7.060 1.00 0.00 C ATOM 1348 C ARG A 82 16.442 -10.533 -8.014 1.00 0.00 C ATOM 1349 O ARG A 82 17.089 -9.574 -7.591 1.00 0.00 O ATOM 1350 CB ARG A 82 16.552 -12.567 -6.560 1.00 0.00 C ATOM 1351 CG ARG A 82 16.988 -13.525 -7.656 1.00 0.00 C ATOM 1352 CD ARG A 82 17.968 -14.561 -7.132 1.00 0.00 C ATOM 1353 NE ARG A 82 19.357 -14.133 -7.290 1.00 0.00 N ATOM 1354 CZ ARG A 82 20.019 -14.179 -8.443 1.00 0.00 C ATOM 1355 NH1 ARG A 82 19.424 -14.631 -9.541 1.00 0.00 N ATOM 1356 NH2 ARG A 82 21.279 -13.771 -8.501 1.00 0.00 N ATOM 0 H ARG A 82 14.414 -12.986 -7.711 1.00 0.00 H new ATOM 0 HA ARG A 82 15.338 -10.828 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.437 -12.142 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.018 -13.126 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.114 -14.027 -8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.450 -12.964 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.765 -14.751 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.817 -15.502 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 82 19.847 -13.779 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.454 -14.945 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.937 -14.664 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.741 -13.422 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 82 21.786 -13.806 -9.385 1.00 0.00 H new ATOM 1370 N SER A 83 16.379 -10.850 -9.302 1.00 0.00 N ATOM 1371 CA SER A 83 17.079 -10.072 -10.316 1.00 0.00 C ATOM 1372 C SER A 83 16.576 -8.632 -10.335 1.00 0.00 C ATOM 1373 O SER A 83 17.352 -7.694 -10.515 1.00 0.00 O ATOM 1374 CB SER A 83 16.896 -10.708 -11.695 1.00 0.00 C ATOM 1375 OG SER A 83 17.989 -10.407 -12.546 1.00 0.00 O ATOM 0 H SER A 83 15.850 -11.641 -9.669 1.00 0.00 H new ATOM 0 HA SER A 83 18.140 -10.065 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.800 -11.789 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.971 -10.348 -12.145 1.00 0.00 H new ATOM 0 HG SER A 83 17.848 -10.827 -13.420 1.00 0.00 H new ATOM 1381 N ASN A 84 15.272 -8.467 -10.145 1.00 0.00 N ATOM 1382 CA ASN A 84 14.662 -7.142 -10.137 1.00 0.00 C ATOM 1383 C ASN A 84 15.009 -6.395 -8.854 1.00 0.00 C ATOM 1384 O ASN A 84 15.310 -5.201 -8.881 1.00 0.00 O ATOM 1385 CB ASN A 84 13.143 -7.256 -10.282 1.00 0.00 C ATOM 1386 CG ASN A 84 12.684 -7.079 -11.716 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.249 -6.286 -12.468 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.652 -7.820 -12.102 1.00 0.00 N ATOM 0 H ASN A 84 14.617 -9.234 -9.994 1.00 0.00 H new ATOM 0 HA ASN A 84 15.058 -6.580 -10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.818 -8.230 -9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.664 -6.505 -9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.298 -7.744 -13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.213 -8.465 -11.445 1.00 0.00 H new ATOM 1395 N ILE A 85 14.970 -7.106 -7.732 1.00 0.00 N ATOM 1396 CA ILE A 85 15.283 -6.511 -6.439 1.00 0.00 C ATOM 1397 C ILE A 85 16.727 -6.024 -6.406 1.00 0.00 C ATOM 1398 O ILE A 85 16.986 -4.825 -6.321 1.00 0.00 O ATOM 1399 CB ILE A 85 15.058 -7.518 -5.294 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.577 -7.900 -5.215 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.550 -6.952 -3.965 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.704 -6.858 -4.543 1.00 0.00 C ATOM 0 H ILE A 85 14.725 -8.095 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 85 14.613 -5.663 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 85 15.637 -8.418 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.204 -8.075 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.484 -8.841 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.380 -7.682 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.616 -6.734 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.006 -6.035 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.671 -7.204 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.049 -6.699 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.764 -5.921 -5.097 1.00 0.00 H new ATOM 1414 N CYS A 86 17.662 -6.967 -6.479 1.00 0.00 N ATOM 1415 CA CYS A 86 19.086 -6.642 -6.462 1.00 0.00 C ATOM 1416 C CYS A 86 19.397 -5.496 -7.421 1.00 0.00 C ATOM 1417 O CYS A 86 20.337 -4.731 -7.208 1.00 0.00 O ATOM 1418 CB CYS A 86 19.917 -7.871 -6.831 1.00 0.00 C ATOM 1419 SG CYS A 86 20.420 -8.875 -5.414 1.00 0.00 S ATOM 0 H CYS A 86 17.459 -7.964 -6.551 1.00 0.00 H new ATOM 0 HA CYS A 86 19.347 -6.326 -5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.342 -8.493 -7.517 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.809 -7.546 -7.367 1.00 0.00 H new ATOM 0 HG CYS A 86 21.116 -9.892 -5.828 1.00 0.00 H new ATOM 1425 N ARG A 87 18.596 -5.384 -8.476 1.00 0.00 N ATOM 1426 CA ARG A 87 18.781 -4.332 -9.465 1.00 0.00 C ATOM 1427 C ARG A 87 18.224 -3.005 -8.958 1.00 0.00 C ATOM 1428 O ARG A 87 18.919 -1.991 -8.960 1.00 0.00 O ATOM 1429 CB ARG A 87 18.102 -4.715 -10.781 1.00 0.00 C ATOM 1430 CG ARG A 87 19.012 -5.468 -11.736 1.00 0.00 C ATOM 1431 CD ARG A 87 19.977 -4.529 -12.442 1.00 0.00 C ATOM 1432 NE ARG A 87 21.059 -5.254 -13.106 1.00 0.00 N ATOM 1433 CZ ARG A 87 22.130 -5.730 -12.475 1.00 0.00 C ATOM 1434 NH1 ARG A 87 22.267 -5.561 -11.165 1.00 0.00 N ATOM 1435 NH2 ARG A 87 23.068 -6.375 -13.154 1.00 0.00 N ATOM 0 H ARG A 87 17.813 -6.010 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 87 19.851 -4.214 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.228 -5.329 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.742 -3.811 -11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.574 -6.223 -11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.409 -5.995 -12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.433 -3.936 -13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.399 -3.831 -11.719 1.00 0.00 H new ATOM 0 HE ARG A 87 20.989 -5.404 -14.112 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.549 -5.064 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 87 23.090 -5.928 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 87 22.969 -6.507 -14.161 1.00 0.00 H new ATOM 0 HH22 ARG A 87 23.888 -6.739 -12.670 1.00 0.00 H new ATOM 1449 N PHE A 88 16.967 -3.017 -8.522 1.00 0.00 N ATOM 1450 CA PHE A 88 16.322 -1.809 -8.016 1.00 0.00 C ATOM 1451 C PHE A 88 17.129 -1.197 -6.871 1.00 0.00 C ATOM 1452 O PHE A 88 17.092 0.012 -6.655 1.00 0.00 O ATOM 1453 CB PHE A 88 14.880 -2.122 -7.569 1.00 0.00 C ATOM 1454 CG PHE A 88 14.594 -1.841 -6.115 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.623 -0.545 -5.622 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.318 -2.877 -5.239 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.379 -0.293 -4.285 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.081 -2.632 -3.908 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.108 -1.338 -3.427 1.00 0.00 C ATOM 0 H PHE A 88 16.376 -3.848 -8.509 1.00 0.00 H new ATOM 0 HA PHE A 88 16.282 -1.076 -8.822 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.191 -1.539 -8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.672 -3.173 -7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.839 0.276 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.289 -3.892 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.401 0.721 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.873 -3.453 -3.237 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.917 -1.145 -2.382 1.00 0.00 H new ATOM 1469 N LEU A 89 17.845 -2.038 -6.130 1.00 0.00 N ATOM 1470 CA LEU A 89 18.639 -1.560 -5.004 1.00 0.00 C ATOM 1471 C LEU A 89 19.856 -0.769 -5.478 1.00 0.00 C ATOM 1472 O LEU A 89 19.972 0.426 -5.204 1.00 0.00 O ATOM 1473 CB LEU A 89 19.089 -2.731 -4.124 1.00 0.00 C ATOM 1474 CG LEU A 89 17.965 -3.606 -3.552 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.497 -4.491 -2.437 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.811 -2.751 -3.045 1.00 0.00 C ATOM 0 H LEU A 89 17.892 -3.045 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 89 18.006 -0.895 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.756 -3.365 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.673 -2.334 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 89 17.590 -4.241 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.688 -5.105 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.284 -5.136 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.902 -3.868 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.029 -3.396 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.169 -2.085 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.408 -2.159 -3.867 1.00 0.00 H new ATOM 1488 N THR A 90 20.761 -1.437 -6.186 1.00 0.00 N ATOM 1489 CA THR A 90 21.966 -0.783 -6.691 1.00 0.00 C ATOM 1490 C THR A 90 21.617 0.236 -7.770 1.00 0.00 C ATOM 1491 O THR A 90 22.257 1.282 -7.881 1.00 0.00 O ATOM 1492 CB THR A 90 22.944 -1.817 -7.251 1.00 0.00 C ATOM 1493 OG1 THR A 90 23.955 -1.186 -8.016 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.282 -2.853 -8.135 1.00 0.00 C ATOM 0 H THR A 90 20.685 -2.426 -6.423 1.00 0.00 H new ATOM 0 HA THR A 90 22.439 -0.263 -5.859 1.00 0.00 H new ATOM 0 HB THR A 90 23.361 -2.320 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.572 -1.863 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.033 -3.555 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.528 -3.392 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.808 -2.358 -8.983 1.00 0.00 H new ATOM 1502 N ALA A 91 20.600 -0.079 -8.561 1.00 0.00 N ATOM 1503 CA ALA A 91 20.161 0.803 -9.634 1.00 0.00 C ATOM 1504 C ALA A 91 19.256 1.909 -9.104 1.00 0.00 C ATOM 1505 O ALA A 91 19.167 2.986 -9.692 1.00 0.00 O ATOM 1506 CB ALA A 91 19.434 0.003 -10.701 1.00 0.00 C ATOM 0 H ALA A 91 20.062 -0.942 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 91 21.044 1.269 -10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.110 0.671 -11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.105 -0.752 -11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.565 -0.485 -10.261 1.00 0.00 H new ATOM 1512 N SER A 92 18.578 1.632 -7.993 1.00 0.00 N ATOM 1513 CA SER A 92 17.672 2.602 -7.391 1.00 0.00 C ATOM 1514 C SER A 92 16.483 2.863 -8.309 1.00 0.00 C ATOM 1515 O SER A 92 16.288 3.981 -8.786 1.00 0.00 O ATOM 1516 CB SER A 92 18.407 3.913 -7.099 1.00 0.00 C ATOM 1517 OG SER A 92 17.875 4.553 -5.952 1.00 0.00 O ATOM 0 H SER A 92 18.640 0.745 -7.493 1.00 0.00 H new ATOM 0 HA SER A 92 17.305 2.189 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.468 3.713 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.327 4.577 -7.959 1.00 0.00 H new ATOM 0 HG SER A 92 17.967 3.962 -5.176 1.00 0.00 H new ATOM 1523 N GLN A 93 15.690 1.820 -8.559 1.00 0.00 N ATOM 1524 CA GLN A 93 14.519 1.939 -9.426 1.00 0.00 C ATOM 1525 C GLN A 93 13.704 3.175 -9.062 1.00 0.00 C ATOM 1526 O GLN A 93 13.414 4.012 -9.917 1.00 0.00 O ATOM 1527 CB GLN A 93 13.647 0.687 -9.319 1.00 0.00 C ATOM 1528 CG GLN A 93 12.412 0.730 -10.204 1.00 0.00 C ATOM 1529 CD GLN A 93 12.734 0.503 -11.667 1.00 0.00 C ATOM 1530 OE1 GLN A 93 13.518 1.240 -12.264 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.128 -0.523 -12.255 1.00 0.00 N ATOM 0 H GLN A 93 15.837 0.887 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 93 14.865 2.041 -10.454 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.244 -0.186 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.337 0.558 -8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.704 -0.028 -9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.921 1.697 -10.090 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.485 -1.109 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.306 -0.725 -13.239 1.00 0.00 H new ATOM 1540 N ASP A 94 13.350 3.291 -7.788 1.00 0.00 N ATOM 1541 CA ASP A 94 12.586 4.434 -7.314 1.00 0.00 C ATOM 1542 C ASP A 94 13.171 4.970 -6.012 1.00 0.00 C ATOM 1543 O ASP A 94 12.551 5.794 -5.339 1.00 0.00 O ATOM 1544 CB ASP A 94 11.126 4.034 -7.106 1.00 0.00 C ATOM 1545 CG ASP A 94 10.272 4.299 -8.331 1.00 0.00 C ATOM 1546 OD1 ASP A 94 9.973 5.482 -8.601 1.00 0.00 O ATOM 1547 OD2 ASP A 94 9.904 3.325 -9.020 1.00 0.00 O ATOM 0 H ASP A 94 13.580 2.608 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 94 12.639 5.222 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.075 2.975 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.719 4.584 -6.257 1.00 0.00 H new ATOM 1552 N LYS A 95 14.361 4.474 -5.645 1.00 0.00 N ATOM 1553 CA LYS A 95 15.026 4.874 -4.410 1.00 0.00 C ATOM 1554 C LYS A 95 14.483 4.061 -3.241 1.00 0.00 C ATOM 1555 O LYS A 95 15.086 4.019 -2.168 1.00 0.00 O ATOM 1556 CB LYS A 95 14.845 6.374 -4.144 1.00 0.00 C ATOM 1557 CG LYS A 95 15.913 6.966 -3.239 1.00 0.00 C ATOM 1558 CD LYS A 95 15.396 8.186 -2.493 1.00 0.00 C ATOM 1559 CE LYS A 95 16.002 8.288 -1.103 1.00 0.00 C ATOM 1560 NZ LYS A 95 15.629 9.559 -0.425 1.00 0.00 N ATOM 0 H LYS A 95 14.881 3.790 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 95 16.093 4.679 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.851 6.906 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.867 6.539 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.243 6.213 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.783 7.243 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.631 9.087 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.310 8.132 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.669 7.444 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.088 8.220 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.063 9.589 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.969 10.365 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.594 9.613 -0.333 1.00 0.00 H new ATOM 1574 N ILE A 96 13.338 3.414 -3.461 1.00 0.00 N ATOM 1575 CA ILE A 96 12.696 2.601 -2.444 1.00 0.00 C ATOM 1576 C ILE A 96 11.726 1.604 -3.079 1.00 0.00 C ATOM 1577 O ILE A 96 11.075 1.906 -4.079 1.00 0.00 O ATOM 1578 CB ILE A 96 11.917 3.477 -1.448 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.828 4.546 -0.837 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.269 2.620 -0.370 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.176 5.339 0.268 1.00 0.00 C ATOM 0 H ILE A 96 12.836 3.443 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 96 13.483 2.063 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 96 11.121 3.989 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.726 4.066 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.148 5.230 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.723 3.259 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.579 1.914 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.040 2.072 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.881 6.076 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.294 5.848 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.881 4.666 1.073 1.00 0.00 H new ATOM 1593 N LEU A 97 11.644 0.419 -2.486 1.00 0.00 N ATOM 1594 CA LEU A 97 10.763 -0.648 -2.968 1.00 0.00 C ATOM 1595 C LEU A 97 9.399 -0.114 -3.428 1.00 0.00 C ATOM 1596 O LEU A 97 9.097 -0.131 -4.622 1.00 0.00 O ATOM 1597 CB LEU A 97 10.573 -1.703 -1.872 1.00 0.00 C ATOM 1598 CG LEU A 97 10.328 -3.131 -2.370 1.00 0.00 C ATOM 1599 CD1 LEU A 97 9.176 -3.159 -3.348 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.568 -3.697 -3.033 1.00 0.00 C ATOM 0 H LEU A 97 12.184 0.167 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 97 11.242 -1.100 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.458 -1.705 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.732 -1.405 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 97 10.082 -3.746 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.015 -4.181 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.273 -2.795 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.407 -2.521 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.366 -4.711 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.843 -3.073 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.389 -3.714 -2.316 1.00 0.00 H new ATOM 1612 N PHE A 98 8.572 0.346 -2.487 1.00 0.00 N ATOM 1613 CA PHE A 98 7.243 0.862 -2.829 1.00 0.00 C ATOM 1614 C PHE A 98 7.028 2.287 -2.315 1.00 0.00 C ATOM 1615 O PHE A 98 5.988 2.597 -1.732 1.00 0.00 O ATOM 1616 CB PHE A 98 6.150 -0.065 -2.292 1.00 0.00 C ATOM 1617 CG PHE A 98 5.997 -0.034 -0.801 1.00 0.00 C ATOM 1618 CD1 PHE A 98 6.937 -0.636 0.017 1.00 0.00 C ATOM 1619 CD2 PHE A 98 4.907 0.586 -0.219 1.00 0.00 C ATOM 1620 CE1 PHE A 98 6.792 -0.616 1.391 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.754 0.607 1.155 1.00 0.00 C ATOM 1622 CZ PHE A 98 5.699 0.005 1.961 1.00 0.00 C ATOM 0 H PHE A 98 8.795 0.372 -1.492 1.00 0.00 H new ATOM 0 HA PHE A 98 7.182 0.893 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.199 0.209 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.370 -1.086 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.793 -1.126 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.166 1.060 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.534 -1.086 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.897 1.093 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.584 0.020 3.035 1.00 0.00 H new ATOM 1632 N LYS A 99 8.007 3.153 -2.552 1.00 0.00 N ATOM 1633 CA LYS A 99 7.921 4.546 -2.133 1.00 0.00 C ATOM 1634 C LYS A 99 6.850 5.272 -2.937 1.00 0.00 C ATOM 1635 O LYS A 99 5.991 5.954 -2.382 1.00 0.00 O ATOM 1636 CB LYS A 99 9.280 5.232 -2.322 1.00 0.00 C ATOM 1637 CG LYS A 99 9.196 6.652 -2.859 1.00 0.00 C ATOM 1638 CD LYS A 99 10.482 7.422 -2.614 1.00 0.00 C ATOM 1639 CE LYS A 99 10.394 8.839 -3.159 1.00 0.00 C ATOM 1640 NZ LYS A 99 10.026 8.858 -4.601 1.00 0.00 N ATOM 0 H LYS A 99 8.873 2.913 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 99 7.649 4.582 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.802 5.248 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.884 4.633 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.986 6.625 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.364 7.172 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.690 7.454 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.315 6.901 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.655 9.402 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.352 9.341 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.221 9.800 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.585 8.145 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.014 8.642 -4.704 1.00 0.00 H new ATOM 1654 N ASP A 100 6.916 5.117 -4.252 1.00 0.00 N ATOM 1655 CA ASP A 100 5.959 5.752 -5.146 1.00 0.00 C ATOM 1656 C ASP A 100 4.535 5.360 -4.777 1.00 0.00 C ATOM 1657 O ASP A 100 3.585 6.071 -5.095 1.00 0.00 O ATOM 1658 CB ASP A 100 6.249 5.359 -6.595 1.00 0.00 C ATOM 1659 CG ASP A 100 7.545 5.956 -7.107 1.00 0.00 C ATOM 1660 OD1 ASP A 100 8.605 5.677 -6.509 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.499 6.704 -8.107 1.00 0.00 O ATOM 0 H ASP A 100 7.625 4.555 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 100 6.059 6.832 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.297 4.273 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.425 5.687 -7.229 1.00 0.00 H new ATOM 1666 N VAL A 101 4.395 4.221 -4.108 1.00 0.00 N ATOM 1667 CA VAL A 101 3.086 3.730 -3.702 1.00 0.00 C ATOM 1668 C VAL A 101 2.712 4.229 -2.322 1.00 0.00 C ATOM 1669 O VAL A 101 1.717 4.925 -2.167 1.00 0.00 O ATOM 1670 CB VAL A 101 3.042 2.200 -3.744 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.639 1.685 -3.460 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.525 1.745 -5.100 1.00 0.00 C ATOM 0 H VAL A 101 5.173 3.621 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 101 2.355 4.120 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 101 3.692 1.793 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.637 0.596 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.323 2.016 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.950 2.074 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.501 0.656 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.878 2.157 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.546 2.092 -5.258 1.00 0.00 H new ATOM 1682 N ASN A 102 3.516 3.910 -1.313 1.00 0.00 N ATOM 1683 CA ASN A 102 3.221 4.394 0.029 1.00 0.00 C ATOM 1684 C ASN A 102 3.029 5.905 -0.016 1.00 0.00 C ATOM 1685 O ASN A 102 2.338 6.482 0.820 1.00 0.00 O ATOM 1686 CB ASN A 102 4.332 4.028 1.016 1.00 0.00 C ATOM 1687 CG ASN A 102 5.720 4.338 0.499 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.973 5.421 -0.025 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.628 3.382 0.658 1.00 0.00 N ATOM 0 H ASN A 102 4.354 3.335 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 102 2.306 3.915 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.171 4.567 1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.267 2.965 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.585 3.530 0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.368 2.500 1.099 1.00 0.00 H new ATOM 1696 N ARG A 103 3.631 6.534 -1.028 1.00 0.00 N ATOM 1697 CA ARG A 103 3.517 7.969 -1.221 1.00 0.00 C ATOM 1698 C ARG A 103 2.209 8.311 -1.930 1.00 0.00 C ATOM 1699 O ARG A 103 1.477 9.204 -1.491 1.00 0.00 O ATOM 1700 CB ARG A 103 4.700 8.497 -2.032 1.00 0.00 C ATOM 1701 CG ARG A 103 5.973 8.659 -1.217 1.00 0.00 C ATOM 1702 CD ARG A 103 6.247 10.119 -0.891 1.00 0.00 C ATOM 1703 NE ARG A 103 5.230 10.682 -0.006 1.00 0.00 N ATOM 1704 CZ ARG A 103 4.997 11.987 0.124 1.00 0.00 C ATOM 1705 NH1 ARG A 103 5.708 12.867 -0.571 1.00 0.00 N ATOM 1706 NH2 ARG A 103 4.051 12.412 0.949 1.00 0.00 N ATOM 0 H ARG A 103 4.205 6.062 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 103 3.522 8.445 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.894 7.817 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.431 9.460 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.889 8.089 -0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.816 8.245 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.226 10.208 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.283 10.696 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 103 4.664 10.037 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.437 12.545 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.526 13.865 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.501 11.740 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.872 13.411 1.049 1.00 0.00 H new ATOM 1720 N LYS A 104 1.893 7.596 -3.019 1.00 0.00 N ATOM 1721 CA LYS A 104 0.655 7.862 -3.735 1.00 0.00 C ATOM 1722 C LYS A 104 -0.502 7.215 -2.988 1.00 0.00 C ATOM 1723 O LYS A 104 -1.515 7.854 -2.711 1.00 0.00 O ATOM 1724 CB LYS A 104 0.769 7.363 -5.187 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.304 6.375 -5.639 1.00 0.00 C ATOM 1726 CD LYS A 104 0.307 5.126 -6.257 1.00 0.00 C ATOM 1727 CE LYS A 104 1.334 5.469 -7.327 1.00 0.00 C ATOM 1728 NZ LYS A 104 0.769 6.368 -8.372 1.00 0.00 N ATOM 0 H LYS A 104 2.467 6.849 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 104 0.466 8.934 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.743 8.227 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.744 6.893 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.923 6.094 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.960 6.856 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.780 4.529 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.482 4.513 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.196 5.949 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.693 4.551 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.445 6.455 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.124 5.970 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.591 7.307 -7.963 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.313 5.947 -2.650 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.298 5.171 -1.914 1.00 0.00 C ATOM 1744 C LEU A 105 -1.712 5.896 -0.631 1.00 0.00 C ATOM 1745 O LEU A 105 -2.868 5.826 -0.211 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.709 3.794 -1.591 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.674 2.789 -0.968 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.128 1.375 -1.088 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.929 3.142 0.484 1.00 0.00 C ATOM 0 H LEU A 105 0.533 5.426 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.191 5.048 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.311 3.365 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.133 3.930 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.619 2.833 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.831 0.674 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.991 1.126 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.170 1.310 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.619 2.419 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.988 3.122 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.364 4.140 0.545 1.00 0.00 H new ATOM 1761 N SER A 106 -0.760 6.602 -0.018 1.00 0.00 N ATOM 1762 CA SER A 106 -1.031 7.348 1.208 1.00 0.00 C ATOM 1763 C SER A 106 -2.037 8.462 0.952 1.00 0.00 C ATOM 1764 O SER A 106 -3.100 8.512 1.571 1.00 0.00 O ATOM 1765 CB SER A 106 0.260 7.954 1.766 1.00 0.00 C ATOM 1766 OG SER A 106 0.870 7.092 2.707 1.00 0.00 O ATOM 0 H SER A 106 0.202 6.672 -0.351 1.00 0.00 H new ATOM 0 HA SER A 106 -1.447 6.651 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.954 8.152 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.040 8.912 2.237 1.00 0.00 H new ATOM 0 HG SER A 106 1.259 6.322 2.242 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.685 9.358 0.036 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.544 10.488 -0.309 1.00 0.00 C ATOM 1774 C ASP A 107 -3.966 10.036 -0.627 1.00 0.00 C ATOM 1775 O ASP A 107 -4.928 10.764 -0.384 1.00 0.00 O ATOM 1776 CB ASP A 107 -1.968 11.232 -1.510 1.00 0.00 C ATOM 1777 CG ASP A 107 -1.133 12.431 -1.105 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -0.168 12.250 -0.334 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.446 13.552 -1.560 1.00 0.00 O ATOM 0 H ASP A 107 -0.808 9.324 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.582 11.151 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.355 10.548 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.783 11.562 -2.154 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.087 8.837 -1.179 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.386 8.292 -1.541 1.00 0.00 C ATOM 1786 C VAL A 108 -6.266 8.127 -0.318 1.00 0.00 C ATOM 1787 O VAL A 108 -7.420 8.553 -0.318 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.260 6.932 -2.244 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.485 6.649 -3.091 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.005 6.872 -3.091 1.00 0.00 C ATOM 0 H VAL A 108 -3.299 8.223 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.840 9.005 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.188 6.164 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.374 5.681 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.371 6.636 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.592 7.427 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.940 5.899 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.040 7.655 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.131 7.019 -2.457 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.727 7.513 0.733 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.512 7.323 1.949 1.00 0.00 C ATOM 1802 C TRP A 109 -6.868 8.674 2.549 1.00 0.00 C ATOM 1803 O TRP A 109 -7.943 8.848 3.121 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.789 6.465 2.993 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.636 6.251 4.215 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.275 6.443 5.519 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.005 5.830 4.237 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.341 6.167 6.348 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.415 5.790 5.583 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.925 5.486 3.244 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.709 5.420 5.957 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.202 5.119 3.615 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.584 5.091 4.960 1.00 0.00 C ATOM 0 H TRP A 109 -4.775 7.147 0.769 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.418 6.787 1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.530 5.501 2.556 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.854 6.948 3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.299 6.764 5.851 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.332 6.233 7.366 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.641 5.507 2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.007 5.395 6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.919 4.849 2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.593 4.803 5.217 1.00 0.00 H new ATOM 1824 N LYS A 110 -5.965 9.636 2.399 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.195 10.976 2.909 1.00 0.00 C ATOM 1826 C LYS A 110 -7.413 11.583 2.229 1.00 0.00 C ATOM 1827 O LYS A 110 -8.182 12.317 2.842 1.00 0.00 O ATOM 1828 CB LYS A 110 -4.967 11.856 2.664 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.686 11.298 3.262 1.00 0.00 C ATOM 1830 CD LYS A 110 -3.808 11.103 4.765 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.803 11.954 5.524 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.405 11.682 5.091 1.00 0.00 N ATOM 0 H LYS A 110 -5.069 9.510 1.928 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.374 10.919 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.831 11.983 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.151 12.846 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.448 10.345 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.859 11.975 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.818 11.360 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.654 10.052 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.032 13.009 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.896 11.759 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.797 11.577 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.379 10.806 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.061 12.473 4.510 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.576 11.261 0.951 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.695 11.762 0.165 1.00 0.00 C ATOM 1848 C GLU A 111 -9.889 10.815 0.232 1.00 0.00 C ATOM 1849 O GLU A 111 -11.033 11.226 0.047 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.264 11.942 -1.287 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.356 13.381 -1.759 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.443 13.497 -3.269 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -9.563 13.379 -3.810 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.392 13.705 -3.909 1.00 0.00 O ATOM 0 H GLU A 111 -6.942 10.651 0.435 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.999 12.722 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.238 11.593 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.887 11.316 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.232 13.851 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.484 13.931 -1.406 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.612 9.546 0.488 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.660 8.536 0.570 1.00 0.00 C ATOM 1863 C LEU A 112 -11.329 8.573 1.938 1.00 0.00 C ATOM 1864 O LEU A 112 -12.553 8.503 2.045 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.072 7.149 0.291 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.088 6.003 0.215 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.261 6.367 -0.672 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.427 4.744 -0.309 1.00 0.00 C ATOM 0 H LEU A 112 -8.669 9.189 0.643 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.418 8.751 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.525 7.189 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.347 6.917 1.072 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.459 5.824 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.964 5.534 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.761 7.248 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.903 6.581 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.162 3.940 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.028 4.931 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.615 4.454 0.358 1.00 0.00 H new ATOM 1880 N SER A 113 -10.518 8.697 2.981 1.00 0.00 N ATOM 1881 CA SER A 113 -11.025 8.759 4.344 1.00 0.00 C ATOM 1882 C SER A 113 -11.721 10.094 4.598 1.00 0.00 C ATOM 1883 O SER A 113 -12.814 10.136 5.164 1.00 0.00 O ATOM 1884 CB SER A 113 -9.884 8.560 5.345 1.00 0.00 C ATOM 1885 OG SER A 113 -9.391 9.801 5.823 1.00 0.00 O ATOM 0 H SER A 113 -9.502 8.757 2.907 1.00 0.00 H new ATOM 0 HA SER A 113 -11.753 7.958 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.235 7.959 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.075 8.004 4.871 1.00 0.00 H new ATOM 0 HG SER A 113 -8.665 9.641 6.461 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.080 11.185 4.182 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.645 12.516 4.376 1.00 0.00 C ATOM 1893 C LEU A 114 -12.949 12.667 3.592 1.00 0.00 C ATOM 1894 O LEU A 114 -13.857 13.378 4.022 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.600 13.593 4.016 1.00 0.00 C ATOM 1896 CG LEU A 114 -10.877 14.481 2.794 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.053 13.645 1.541 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.091 15.368 3.022 1.00 0.00 C ATOM 0 H LEU A 114 -10.175 11.173 3.712 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.898 12.654 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.478 14.244 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.645 13.093 3.856 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.010 15.126 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.248 14.299 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.145 13.071 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.893 12.963 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.262 15.985 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.967 14.746 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.916 16.010 3.885 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.049 11.978 2.456 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.259 12.024 1.642 1.00 0.00 C ATOM 1912 C LEU A 115 -15.335 11.142 2.257 1.00 0.00 C ATOM 1913 O LEU A 115 -16.511 11.503 2.289 1.00 0.00 O ATOM 1914 CB LEU A 115 -13.968 11.551 0.216 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.336 12.594 -0.701 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.116 12.021 -2.094 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.201 13.846 -0.762 1.00 0.00 C ATOM 0 H LEU A 115 -12.309 11.384 2.081 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.609 13.056 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.306 10.686 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.901 11.213 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.365 12.870 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.665 12.780 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.453 11.158 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.073 11.714 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.735 14.579 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.188 13.588 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.301 14.268 0.238 1.00 0.00 H new ATOM 1929 N LEU A 116 -14.916 9.979 2.743 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.832 9.032 3.360 1.00 0.00 C ATOM 1931 C LEU A 116 -16.539 9.660 4.552 1.00 0.00 C ATOM 1932 O LEU A 116 -17.744 9.483 4.735 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.076 7.775 3.789 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.951 6.709 2.702 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.018 5.593 3.145 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.322 6.157 2.356 1.00 0.00 C ATOM 0 H LEU A 116 -13.944 9.670 2.721 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.589 8.755 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.076 8.061 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.581 7.339 4.651 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.524 7.169 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.944 4.845 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.029 6.005 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.411 5.128 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.223 5.398 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.770 5.712 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.959 6.964 1.994 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.789 10.408 5.354 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.356 11.076 6.517 1.00 0.00 C ATOM 1950 C GLN A 117 -17.504 11.991 6.099 1.00 0.00 C ATOM 1951 O GLN A 117 -18.378 12.316 6.900 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.280 11.889 7.240 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.507 11.092 8.278 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.053 11.513 8.370 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.695 12.378 9.169 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.207 10.901 7.550 1.00 0.00 N ATOM 0 H GLN A 117 -14.790 10.566 5.220 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.741 10.315 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.580 12.285 6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.749 12.744 7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.980 11.216 9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.560 10.032 8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.548 10.189 6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.216 11.142 7.566 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.487 12.408 4.834 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.520 13.291 4.303 1.00 0.00 C ATOM 1967 C VAL A 118 -19.674 12.507 3.688 1.00 0.00 C ATOM 1968 O VAL A 118 -20.829 12.662 4.084 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.953 14.225 3.220 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.916 15.365 2.942 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.587 14.748 3.625 1.00 0.00 C ATOM 0 H VAL A 118 -16.768 12.148 4.159 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.884 13.874 5.149 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.833 13.654 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.498 16.015 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.868 14.961 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.074 15.938 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.204 15.406 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.672 15.303 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.903 13.911 3.761 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.349 11.691 2.693 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.352 10.902 1.982 1.00 0.00 C ATOM 1983 C GLU A 119 -20.937 9.789 2.849 1.00 0.00 C ATOM 1984 O GLU A 119 -22.154 9.611 2.900 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.744 10.300 0.713 1.00 0.00 C ATOM 1986 CG GLU A 119 -18.993 11.310 -0.142 1.00 0.00 C ATOM 1987 CD GLU A 119 -19.897 12.393 -0.700 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.104 12.383 -0.381 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.396 13.251 -1.455 1.00 0.00 O ATOM 0 H GLU A 119 -18.395 11.557 2.358 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.166 11.578 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.063 9.496 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.539 9.852 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.206 11.771 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.505 10.790 -0.966 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.074 9.032 3.513 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.526 7.929 4.355 1.00 0.00 C ATOM 1998 C GLN A 120 -20.763 8.374 5.796 1.00 0.00 C ATOM 1999 O GLN A 120 -21.385 7.656 6.578 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.511 6.788 4.314 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.584 5.966 3.036 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.460 4.479 3.291 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -18.661 3.792 2.656 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -20.253 3.975 4.227 1.00 0.00 N ATOM 0 H GLN A 120 -19.062 9.159 3.487 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.479 7.579 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.507 7.200 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.676 6.133 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -20.530 6.167 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -18.790 6.282 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -20.901 4.583 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -20.215 2.979 4.445 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.272 9.560 6.144 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.445 10.086 7.493 1.00 0.00 C ATOM 2015 C ARG A 121 -19.804 9.172 8.533 1.00 0.00 C ATOM 2016 O ARG A 121 -20.129 9.246 9.718 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.931 10.263 7.805 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.512 11.568 7.285 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.026 11.593 7.413 1.00 0.00 C ATOM 2020 NE ARG A 121 -24.571 12.930 7.194 1.00 0.00 N ATOM 2021 CZ ARG A 121 -24.559 13.896 8.110 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -24.026 13.678 9.306 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -25.079 15.082 7.830 1.00 0.00 N ATOM 0 H ARG A 121 -19.754 10.172 5.514 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.948 11.055 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.486 9.430 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.075 10.216 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.085 12.404 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.232 11.702 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.462 10.901 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.312 11.243 8.405 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.986 13.136 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.623 12.767 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.019 14.421 10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.489 15.255 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.070 15.822 8.532 1.00 0.00 H new ATOM 2037 N MET A 122 -18.890 8.311 8.091 1.00 0.00 N ATOM 2038 CA MET A 122 -18.214 7.393 8.998 1.00 0.00 C ATOM 2039 C MET A 122 -17.075 8.102 9.731 1.00 0.00 C ATOM 2040 O MET A 122 -16.311 8.853 9.126 1.00 0.00 O ATOM 2041 CB MET A 122 -17.685 6.176 8.231 1.00 0.00 C ATOM 2042 CG MET A 122 -16.476 6.466 7.348 1.00 0.00 C ATOM 2043 SD MET A 122 -15.053 5.430 7.752 1.00 0.00 S ATOM 2044 CE MET A 122 -13.891 5.911 6.473 1.00 0.00 C ATOM 0 H MET A 122 -18.603 8.232 7.115 1.00 0.00 H new ATOM 0 HA MET A 122 -18.935 7.048 9.739 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.419 5.398 8.947 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.486 5.777 7.609 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.748 6.311 6.304 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.198 7.515 7.453 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.879 5.896 6.877 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.959 5.213 5.638 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.128 6.917 6.126 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.950 7.880 11.051 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.900 8.511 11.851 1.00 0.00 C ATOM 2056 C PRO A 123 -14.536 7.885 11.605 1.00 0.00 C ATOM 2057 O PRO A 123 -14.370 6.669 11.711 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.356 8.266 13.288 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.152 7.009 13.217 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.818 7.009 11.866 1.00 0.00 C ATOM 0 HA PRO A 123 -15.775 9.566 11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.506 8.160 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.957 9.096 13.661 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.511 6.135 13.335 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.892 6.971 14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.881 6.003 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.836 7.395 11.921 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.565 8.722 11.266 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.217 8.251 10.992 1.00 0.00 C ATOM 2070 C VAL A 124 -11.177 9.089 11.717 1.00 0.00 C ATOM 2071 O VAL A 124 -11.431 10.234 12.091 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.914 8.294 9.487 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.624 7.549 9.177 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.074 7.719 8.694 1.00 0.00 C ATOM 0 H VAL A 124 -13.687 9.731 11.174 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.165 7.223 11.350 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.782 9.335 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.428 7.592 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.798 8.012 9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.721 6.509 9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.842 7.758 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.241 6.684 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.974 8.302 8.890 1.00 0.00 H new ATOM 2084 N SER A 125 -9.996 8.513 11.896 1.00 0.00 N ATOM 2085 CA SER A 125 -8.901 9.208 12.559 1.00 0.00 C ATOM 2086 C SER A 125 -7.791 9.502 11.556 1.00 0.00 C ATOM 2087 O SER A 125 -7.884 9.099 10.398 1.00 0.00 O ATOM 2088 CB SER A 125 -8.356 8.368 13.716 1.00 0.00 C ATOM 2089 OG SER A 125 -9.353 7.506 14.235 1.00 0.00 O ATOM 0 H SER A 125 -9.772 7.566 11.591 1.00 0.00 H new ATOM 0 HA SER A 125 -9.276 10.149 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.505 7.780 13.373 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.992 9.025 14.506 1.00 0.00 H new ATOM 0 HG SER A 125 -8.979 6.979 14.972 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.722 10.199 11.982 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.596 10.523 11.097 1.00 0.00 C ATOM 2097 C PRO A 126 -5.029 9.264 10.452 1.00 0.00 C ATOM 2098 O PRO A 126 -4.023 8.720 10.907 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.569 11.158 12.038 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.367 11.666 13.190 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.521 10.714 13.347 1.00 0.00 C ATOM 0 HA PRO A 126 -5.882 11.178 10.274 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.827 10.429 12.363 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.028 11.966 11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.764 11.701 14.097 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.720 12.680 13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.289 9.913 14.049 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.411 11.219 13.722 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.708 8.790 9.414 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.312 7.573 8.717 1.00 0.00 C ATOM 2111 C ILE A 127 -5.573 6.351 9.601 1.00 0.00 C ATOM 2112 O ILE A 127 -6.331 5.457 9.227 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.831 7.600 8.280 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.581 8.772 7.325 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.451 6.283 7.614 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.173 8.814 6.770 1.00 0.00 C ATOM 0 H ILE A 127 -6.543 9.235 9.034 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.917 7.510 7.812 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.209 7.733 9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.287 8.711 6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -3.784 9.706 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.404 6.317 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.599 5.464 8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.078 6.125 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.070 9.670 6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.461 8.906 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.972 7.896 6.217 1.00 0.00 H new ATOM 2128 N SER A 128 -4.946 6.323 10.777 1.00 0.00 N ATOM 2129 CA SER A 128 -5.119 5.214 11.713 1.00 0.00 C ATOM 2130 C SER A 128 -4.549 3.927 11.131 1.00 0.00 C ATOM 2131 O SER A 128 -5.133 2.853 11.277 1.00 0.00 O ATOM 2132 CB SER A 128 -6.599 5.027 12.053 1.00 0.00 C ATOM 2133 OG SER A 128 -7.342 6.200 11.766 1.00 0.00 O ATOM 0 H SER A 128 -4.315 7.055 11.103 1.00 0.00 H new ATOM 0 HA SER A 128 -4.576 5.452 12.628 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.003 4.189 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.704 4.776 13.108 1.00 0.00 H new ATOM 0 HG SER A 128 -8.285 6.053 11.991 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.408 4.050 10.466 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.751 2.905 9.848 1.00 0.00 C ATOM 2141 C GLN A 129 -1.246 3.141 9.758 1.00 0.00 C ATOM 2142 O GLN A 129 -0.569 2.577 8.898 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.327 2.639 8.448 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.505 3.532 8.080 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.846 2.847 8.253 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.015 2.004 9.133 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.810 3.213 7.413 1.00 0.00 N ATOM 0 H GLN A 129 -2.916 4.935 10.340 1.00 0.00 H new ATOM 0 HA GLN A 129 -2.934 2.030 10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.537 2.776 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -3.642 1.597 8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.480 4.430 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.399 3.855 7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.624 3.917 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.736 2.790 7.483 1.00 0.00 H new ATOM 2156 N GLY A 130 -0.728 3.985 10.651 1.00 0.00 N ATOM 2157 CA GLY A 130 0.693 4.289 10.651 1.00 0.00 C ATOM 2158 C GLY A 130 1.190 4.700 9.281 1.00 0.00 C ATOM 2159 O GLY A 130 1.701 3.873 8.532 1.00 0.00 O ATOM 0 H GLY A 130 -1.268 4.462 11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.891 5.090 11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 130 1.250 3.416 10.991 1.00 0.00 H new ATOM 2163 N ALA A 131 1.033 5.977 8.951 1.00 0.00 N ATOM 2164 CA ALA A 131 1.458 6.495 7.652 1.00 0.00 C ATOM 2165 C ALA A 131 2.973 6.678 7.563 1.00 0.00 C ATOM 2166 O ALA A 131 3.461 7.428 6.718 1.00 0.00 O ATOM 2167 CB ALA A 131 0.752 7.808 7.359 1.00 0.00 C ATOM 0 H ALA A 131 0.614 6.675 9.565 1.00 0.00 H new ATOM 0 HA ALA A 131 1.181 5.754 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 131 1.075 8.186 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.326 7.646 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 131 1.000 8.535 8.133 1.00 0.00 H new ATOM 2173 N SER A 132 3.717 5.987 8.422 1.00 0.00 N ATOM 2174 CA SER A 132 5.171 6.081 8.414 1.00 0.00 C ATOM 2175 C SER A 132 5.783 5.114 7.401 1.00 0.00 C ATOM 2176 O SER A 132 6.993 4.892 7.401 1.00 0.00 O ATOM 2177 CB SER A 132 5.725 5.786 9.807 1.00 0.00 C ATOM 2178 OG SER A 132 5.868 6.975 10.564 1.00 0.00 O ATOM 0 H SER A 132 3.337 5.358 9.130 1.00 0.00 H new ATOM 0 HA SER A 132 5.439 7.097 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.059 5.098 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.691 5.289 9.719 1.00 0.00 H new ATOM 0 HG SER A 132 5.909 6.753 11.518 1.00 0.00 H new ATOM 2184 N TRP A 133 4.947 4.538 6.537 1.00 0.00 N ATOM 2185 CA TRP A 133 5.428 3.596 5.527 1.00 0.00 C ATOM 2186 C TRP A 133 6.650 4.148 4.803 1.00 0.00 C ATOM 2187 O TRP A 133 7.641 3.446 4.613 1.00 0.00 O ATOM 2188 CB TRP A 133 4.346 3.289 4.484 1.00 0.00 C ATOM 2189 CG TRP A 133 2.949 3.234 5.018 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.544 2.770 6.233 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.764 3.652 4.333 1.00 0.00 C ATOM 2192 NE1 TRP A 133 1.177 2.873 6.347 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.676 3.414 5.193 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.517 4.208 3.077 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.636 3.710 4.834 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.217 4.502 2.721 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.846 4.253 3.596 1.00 0.00 C ATOM 0 H TRP A 133 3.941 4.705 6.516 1.00 0.00 H new ATOM 0 HA TRP A 133 5.692 2.680 6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.390 4.048 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.577 2.333 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 133 3.201 2.378 6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.626 2.592 7.158 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.331 4.405 2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.458 3.518 5.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.016 4.932 1.751 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.853 4.494 3.288 1.00 0.00 H new ATOM 2208 N ALA A 134 6.558 5.409 4.390 1.00 0.00 N ATOM 2209 CA ALA A 134 7.638 6.068 3.665 1.00 0.00 C ATOM 2210 C ALA A 134 8.888 6.220 4.524 1.00 0.00 C ATOM 2211 O ALA A 134 9.977 5.810 4.125 1.00 0.00 O ATOM 2212 CB ALA A 134 7.173 7.425 3.162 1.00 0.00 C ATOM 0 H ALA A 134 5.740 5.998 4.547 1.00 0.00 H new ATOM 0 HA ALA A 134 7.902 5.439 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.986 7.911 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.321 7.293 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.878 8.045 4.008 1.00 0.00 H new ATOM 2218 N GLN A 135 8.731 6.816 5.702 1.00 0.00 N ATOM 2219 CA GLN A 135 9.860 7.022 6.606 1.00 0.00 C ATOM 2220 C GLN A 135 10.601 5.708 6.856 1.00 0.00 C ATOM 2221 O GLN A 135 11.832 5.665 6.858 1.00 0.00 O ATOM 2222 CB GLN A 135 9.380 7.643 7.928 1.00 0.00 C ATOM 2223 CG GLN A 135 9.104 6.638 9.037 1.00 0.00 C ATOM 2224 CD GLN A 135 8.638 7.300 10.320 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.399 8.507 10.357 1.00 0.00 O ATOM 2226 NE2 GLN A 135 8.506 6.511 11.379 1.00 0.00 N ATOM 0 H GLN A 135 7.838 7.164 6.053 1.00 0.00 H new ATOM 0 HA GLN A 135 10.558 7.715 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.132 8.351 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 135 8.471 8.213 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.346 5.931 8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 135 10.009 6.064 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.715 5.516 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.195 6.900 12.269 1.00 0.00 H new ATOM 2235 N GLU A 136 9.838 4.640 7.055 1.00 0.00 N ATOM 2236 CA GLU A 136 10.413 3.323 7.296 1.00 0.00 C ATOM 2237 C GLU A 136 10.864 2.685 5.988 1.00 0.00 C ATOM 2238 O GLU A 136 11.840 1.934 5.954 1.00 0.00 O ATOM 2239 CB GLU A 136 9.393 2.419 7.988 1.00 0.00 C ATOM 2240 CG GLU A 136 9.124 2.799 9.435 1.00 0.00 C ATOM 2241 CD GLU A 136 10.048 2.091 10.405 1.00 0.00 C ATOM 2242 OE1 GLU A 136 11.152 1.684 9.984 1.00 0.00 O ATOM 2243 OE2 GLU A 136 9.670 1.944 11.586 1.00 0.00 O ATOM 0 H GLU A 136 8.818 4.661 7.054 1.00 0.00 H new ATOM 0 HA GLU A 136 11.281 3.444 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.456 2.452 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.749 1.390 7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.238 3.877 9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.090 2.560 9.683 1.00 0.00 H new ATOM 2250 N ASP A 137 10.145 2.988 4.912 1.00 0.00 N ATOM 2251 CA ASP A 137 10.465 2.445 3.598 1.00 0.00 C ATOM 2252 C ASP A 137 11.865 2.857 3.166 1.00 0.00 C ATOM 2253 O ASP A 137 12.654 2.028 2.712 1.00 0.00 O ATOM 2254 CB ASP A 137 9.445 2.916 2.562 1.00 0.00 C ATOM 2255 CG ASP A 137 8.456 1.831 2.195 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.789 1.302 3.110 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.350 1.508 0.994 1.00 0.00 O ATOM 0 H ASP A 137 9.335 3.608 4.925 1.00 0.00 H new ATOM 0 HA ASP A 137 10.427 1.358 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.906 3.779 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.968 3.246 1.665 1.00 0.00 H new ATOM 2262 N GLN A 138 12.168 4.142 3.305 1.00 0.00 N ATOM 2263 CA GLN A 138 13.476 4.651 2.922 1.00 0.00 C ATOM 2264 C GLN A 138 14.549 4.121 3.865 1.00 0.00 C ATOM 2265 O GLN A 138 15.673 3.844 3.446 1.00 0.00 O ATOM 2266 CB GLN A 138 13.471 6.185 2.892 1.00 0.00 C ATOM 2267 CG GLN A 138 13.652 6.837 4.251 1.00 0.00 C ATOM 2268 CD GLN A 138 14.997 7.524 4.401 1.00 0.00 C ATOM 2269 OE1 GLN A 138 15.107 8.555 5.067 1.00 0.00 O ATOM 2270 NE2 GLN A 138 16.031 6.960 3.783 1.00 0.00 N ATOM 0 H GLN A 138 11.530 4.845 3.678 1.00 0.00 H new ATOM 0 HA GLN A 138 13.707 4.299 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.266 6.526 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.529 6.525 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.857 7.567 4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.547 6.080 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.898 6.106 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.957 7.381 3.851 1.00 0.00 H new ATOM 2279 N GLN A 139 14.189 3.958 5.136 1.00 0.00 N ATOM 2280 CA GLN A 139 15.121 3.433 6.121 1.00 0.00 C ATOM 2281 C GLN A 139 15.521 2.018 5.729 1.00 0.00 C ATOM 2282 O GLN A 139 16.687 1.638 5.823 1.00 0.00 O ATOM 2283 CB GLN A 139 14.491 3.436 7.515 1.00 0.00 C ATOM 2284 CG GLN A 139 14.704 4.735 8.275 1.00 0.00 C ATOM 2285 CD GLN A 139 15.739 4.605 9.375 1.00 0.00 C ATOM 2286 OE1 GLN A 139 15.468 4.045 10.437 1.00 0.00 O ATOM 2287 NE2 GLN A 139 16.936 5.124 9.125 1.00 0.00 N ATOM 0 H GLN A 139 13.264 4.181 5.503 1.00 0.00 H new ATOM 0 HA GLN A 139 16.006 4.068 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.421 3.250 7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.908 2.613 8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.016 5.512 7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.757 5.057 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 139 17.118 5.580 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 139 17.673 5.067 9.827 1.00 0.00 H new ATOM 2296 N ASP A 140 14.539 1.256 5.261 1.00 0.00 N ATOM 2297 CA ASP A 140 14.769 -0.112 4.822 1.00 0.00 C ATOM 2298 C ASP A 140 15.308 -0.125 3.393 1.00 0.00 C ATOM 2299 O ASP A 140 15.958 -1.080 2.978 1.00 0.00 O ATOM 2300 CB ASP A 140 13.473 -0.922 4.898 1.00 0.00 C ATOM 2301 CG ASP A 140 13.176 -1.405 6.304 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.954 -2.231 6.825 1.00 0.00 O ATOM 2303 OD2 ASP A 140 12.163 -0.958 6.884 1.00 0.00 O ATOM 0 H ASP A 140 13.571 1.566 5.176 1.00 0.00 H new ATOM 0 HA ASP A 140 15.507 -0.567 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.644 -0.310 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.544 -1.780 4.229 1.00 0.00 H new ATOM 2308 N ALA A 141 15.041 0.950 2.653 1.00 0.00 N ATOM 2309 CA ALA A 141 15.507 1.076 1.277 1.00 0.00 C ATOM 2310 C ALA A 141 16.998 1.364 1.255 1.00 0.00 C ATOM 2311 O ALA A 141 17.786 0.582 0.723 1.00 0.00 O ATOM 2312 CB ALA A 141 14.748 2.179 0.549 1.00 0.00 C ATOM 0 H ALA A 141 14.502 1.749 2.987 1.00 0.00 H new ATOM 0 HA ALA A 141 15.320 0.133 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.112 2.256 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.684 1.943 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.905 3.128 1.062 1.00 0.00 H new ATOM 2318 N ASP A 142 17.384 2.483 1.860 1.00 0.00 N ATOM 2319 CA ASP A 142 18.788 2.860 1.930 1.00 0.00 C ATOM 2320 C ASP A 142 19.586 1.744 2.588 1.00 0.00 C ATOM 2321 O ASP A 142 20.751 1.520 2.263 1.00 0.00 O ATOM 2322 CB ASP A 142 18.958 4.162 2.713 1.00 0.00 C ATOM 2323 CG ASP A 142 20.388 4.667 2.692 1.00 0.00 C ATOM 2324 OD1 ASP A 142 21.127 4.316 1.748 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.768 5.413 3.618 1.00 0.00 O ATOM 0 H ASP A 142 16.746 3.141 2.307 1.00 0.00 H new ATOM 0 HA ASP A 142 19.160 3.019 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.300 4.923 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.646 4.005 3.746 1.00 0.00 H new ATOM 2330 N GLU A 143 18.936 1.036 3.509 1.00 0.00 N ATOM 2331 CA GLU A 143 19.568 -0.073 4.208 1.00 0.00 C ATOM 2332 C GLU A 143 19.524 -1.332 3.352 1.00 0.00 C ATOM 2333 O GLU A 143 20.454 -2.133 3.371 1.00 0.00 O ATOM 2334 CB GLU A 143 18.875 -0.328 5.546 1.00 0.00 C ATOM 2335 CG GLU A 143 19.356 0.582 6.665 1.00 0.00 C ATOM 2336 CD GLU A 143 19.293 -0.085 8.024 1.00 0.00 C ATOM 2337 OE1 GLU A 143 19.641 -1.281 8.116 1.00 0.00 O ATOM 2338 OE2 GLU A 143 18.897 0.588 8.999 1.00 0.00 O ATOM 0 H GLU A 143 17.971 1.213 3.787 1.00 0.00 H new ATOM 0 HA GLU A 143 20.609 0.190 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.800 -0.197 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.038 -1.366 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.382 0.890 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.748 1.487 6.680 1.00 0.00 H new ATOM 2345 N ASP A 144 18.438 -1.500 2.599 1.00 0.00 N ATOM 2346 CA ASP A 144 18.292 -2.670 1.736 1.00 0.00 C ATOM 2347 C ASP A 144 19.428 -2.734 0.721 1.00 0.00 C ATOM 2348 O ASP A 144 20.102 -3.756 0.591 1.00 0.00 O ATOM 2349 CB ASP A 144 16.947 -2.643 1.005 1.00 0.00 C ATOM 2350 CG ASP A 144 15.905 -3.511 1.684 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.199 -4.698 1.939 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.798 -3.006 1.959 1.00 0.00 O ATOM 0 H ASP A 144 17.654 -0.848 2.569 1.00 0.00 H new ATOM 0 HA ASP A 144 18.330 -3.558 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.584 -1.616 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.087 -2.983 -0.021 1.00 0.00 H new ATOM 2357 N ARG A 145 19.635 -1.634 0.006 1.00 0.00 N ATOM 2358 CA ARG A 145 20.690 -1.568 -0.996 1.00 0.00 C ATOM 2359 C ARG A 145 22.064 -1.580 -0.335 1.00 0.00 C ATOM 2360 O ARG A 145 22.972 -2.280 -0.786 1.00 0.00 O ATOM 2361 CB ARG A 145 20.533 -0.316 -1.862 1.00 0.00 C ATOM 2362 CG ARG A 145 20.529 0.983 -1.072 1.00 0.00 C ATOM 2363 CD ARG A 145 20.569 2.196 -1.988 1.00 0.00 C ATOM 2364 NE ARG A 145 19.450 3.103 -1.746 1.00 0.00 N ATOM 2365 CZ ARG A 145 19.376 4.337 -2.241 1.00 0.00 C ATOM 2366 NH1 ARG A 145 20.353 4.814 -3.002 1.00 0.00 N ATOM 2367 NH2 ARG A 145 18.321 5.095 -1.973 1.00 0.00 N ATOM 0 H ARG A 145 19.088 -0.779 0.102 1.00 0.00 H new ATOM 0 HA ARG A 145 20.605 -2.447 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.344 -0.285 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.603 -0.390 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.636 1.027 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.388 1.004 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 145 21.507 2.731 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 145 20.550 1.866 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 145 18.681 2.772 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 145 21.166 4.235 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 145 20.291 5.760 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 145 17.568 4.732 -1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 145 18.263 6.040 -2.351 1.00 0.00 H new