USER MOD reduce.3.24.130724 H: found=0, std=0, add=1424, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1420 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: B 25 LYS NZ :NH3+ -137:sc= 0.0892! (180deg=-0.0356) USER MOD Set 1.2: B 26 TYR OH : rot 65:sc= 1.44 USER MOD Set 2.1: A 82 THR OG1 : rot 58:sc= 0.337! USER MOD Set 2.2: B 8 MET CE :methyl -138:sc= -5.11! (180deg=-8.04!) USER MOD Set 3.1: A 8 MET CE :methyl -146:sc= -5.19! (180deg=-6.67!) USER MOD Set 3.2: B 82 THR OG1 : rot 67:sc= 0.428 USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.00858 (180deg=-0.206) USER MOD Single : A 2 SER OG : rot 92:sc= 1.18 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 10 THR OG1 : rot 80:sc= 0.404 USER MOD Single : A 13 ASN : amide:sc= 0.96 K(o=0.96,f=-0.53) USER MOD Single : A 16 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-2.2) USER MOD Single : A 18 HIS : no HE2:sc= -2.05 K(o=-2,f=-8.8!) USER MOD Single : A 19 SER OG : rot -36:sc= 0.132 USER MOD Single : A 21 LYS NZ :NH3+ 129:sc= -0.0534 (180deg=-0.48) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00254) USER MOD Single : A 26 TYR OH : rot 29:sc= 1.05 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -6.22! (180deg=-8.93!) USER MOD Single : A 29 SER OG : rot -130:sc= -0.104 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.724! (180deg=-0.343!) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0.958 (180deg=0.591) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0.985 (180deg=0.636) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.57! C(o=-2.2!,f=-1.6!) USER MOD Single : A 39 THR OG1 : rot 100:sc= 0.909 USER MOD Single : A 42 SER OG : rot -29:sc= 0.929 USER MOD Single : A 48 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0.851 (180deg=0.647) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= -0.975 (180deg=-3.32!) USER MOD Single : A 58 MET CE :methyl -112:sc= -0.0781 (180deg=-0.413) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0.424 (180deg=-0.474) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.112 F(o=-1.6!,f=-0.11) USER MOD Single : A 72 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.3!) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.686 USER MOD Single : A 85 MET CE :methyl -100:sc= -0.299 (180deg=-2.08) USER MOD Single : A 86 ASN : amide:sc= -7.57! C(o=-7.6!,f=-8.2!) USER MOD Single : A 87 ASN : amide:sc= -0.766! X(o=-0.77!,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= 1.68 K(o=1.7,f=-2.6!) USER MOD Single : A 93 SER OG : rot 87:sc= 1.64 USER MOD Single : B 1 GLY N :NH3+ -115:sc= -3.01! (180deg=-4.37!) USER MOD Single : B 2 SER OG : rot -156:sc= -1.11 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 79:sc= 0.835 USER MOD Single : B 13 ASN : amide:sc= -0.747! X(o=-0.75!,f=-0.79) USER MOD Single : B 16 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-8.2!) USER MOD Single : B 18 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-13!) USER MOD Single : B 19 SER OG : rot -32:sc= 0.951 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 138:sc= -1.38! (180deg=-5.75!) USER MOD Single : B 29 SER OG : rot -91:sc= -0.648 USER MOD Single : B 30 LYS NZ :NH3+ -143:sc= -1.39! (180deg=-7.54!) USER MOD Single : B 31 LYS NZ :NH3+ -144:sc= 0.756 (180deg=-0.064!) USER MOD Single : B 34 LYS NZ :NH3+ -178:sc= 0.549 (180deg=0.463) USER MOD Single : B 38 GLN : amide:sc= 0.52 K(o=0.52,f=-0.66) USER MOD Single : B 39 THR OG1 : rot 73:sc= 0.778 USER MOD Single : B 42 SER OG : rot -42:sc= 0.957 USER MOD Single : B 48 GLN : amide:sc= -0.318 K(o=-0.32,f=-3.2) USER MOD Single : B 49 LYS NZ :NH3+ -158:sc= -0.209 (180deg=-1.15) USER MOD Single : B 56 LYS NZ :NH3+ 167:sc= -0.115 (180deg=-0.901!) USER MOD Single : B 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 LYS NZ :NH3+ 174:sc= -0.739 (180deg=-0.962) USER MOD Single : B 64 ASN : amide:sc= 0.59 K(o=0.59,f=-0.53) USER MOD Single : B 72 GLN : amide:sc= -2.41 K(o=-2.4,f=-8.5!) USER MOD Single : B 74 TYR OH : rot 150:sc= -1.13 USER MOD Single : B 85 MET CE :methyl -107:sc= -0.313 (180deg=-3.26!) USER MOD Single : B 86 ASN : amide:sc= -4.95 K(o=-4.9,f=-8!) USER MOD Single : B 87 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.6!) USER MOD Single : B 92 ASN : amide:sc= -4.81! X(o=-4.8!,f=-4.4) USER MOD Single : B 93 SER OG : rot 13:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.488 2.123 9.322 1.00 0.00 N ATOM 2 CA GLY A 1 -12.408 3.086 9.134 1.00 0.00 C ATOM 3 C GLY A 1 -11.428 3.033 10.299 1.00 0.00 C ATOM 4 O GLY A 1 -11.237 4.023 11.010 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.306 1.280 8.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.538 1.849 10.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.390 2.553 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.884 2.874 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.822 4.091 9.046 1.00 0.00 H new ATOM 8 N SER A 2 -10.858 1.865 10.524 1.00 0.00 N ATOM 9 CA SER A 2 -9.951 1.635 11.642 1.00 0.00 C ATOM 10 C SER A 2 -8.578 2.255 11.389 1.00 0.00 C ATOM 11 O SER A 2 -8.372 2.955 10.387 1.00 0.00 O ATOM 12 CB SER A 2 -9.812 0.134 11.888 1.00 0.00 C ATOM 13 OG SER A 2 -10.898 -0.551 11.255 1.00 0.00 O ATOM 0 H SER A 2 -11.008 1.044 9.938 1.00 0.00 H new ATOM 0 HA SER A 2 -10.372 2.115 12.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.861 -0.224 11.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.811 -0.072 12.958 1.00 0.00 H new ATOM 0 HG SER A 2 -10.635 -0.814 10.348 1.00 0.00 H new ATOM 19 N GLU A 3 -7.628 1.958 12.287 1.00 0.00 N ATOM 20 CA GLU A 3 -6.248 2.438 12.184 1.00 0.00 C ATOM 21 C GLU A 3 -5.775 2.345 10.754 1.00 0.00 C ATOM 22 O GLU A 3 -4.809 2.993 10.363 1.00 0.00 O ATOM 23 CB GLU A 3 -5.317 1.544 13.018 1.00 0.00 C ATOM 24 CG GLU A 3 -5.835 1.388 14.441 1.00 0.00 C ATOM 25 CD GLU A 3 -6.786 0.211 14.511 1.00 0.00 C ATOM 26 OE1 GLU A 3 -7.943 0.398 14.221 1.00 0.00 O ATOM 27 OE2 GLU A 3 -6.346 -0.863 14.842 1.00 0.00 O ATOM 0 H GLU A 3 -7.799 1.376 13.107 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.224 3.468 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.233 0.564 12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.316 1.975 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.002 1.236 15.127 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.345 2.299 14.755 1.00 0.00 H new ATOM 34 N LEU A 4 -6.396 1.457 10.015 1.00 0.00 N ATOM 35 CA LEU A 4 -5.989 1.160 8.670 1.00 0.00 C ATOM 36 C LEU A 4 -6.096 2.401 7.817 1.00 0.00 C ATOM 37 O LEU A 4 -5.159 2.743 7.096 1.00 0.00 O ATOM 38 CB LEU A 4 -6.881 0.048 8.097 1.00 0.00 C ATOM 39 CG LEU A 4 -6.418 -1.336 8.604 1.00 0.00 C ATOM 40 CD1 LEU A 4 -5.190 -1.801 7.828 1.00 0.00 C ATOM 41 CD2 LEU A 4 -6.089 -1.288 10.106 1.00 0.00 C ATOM 0 H LEU A 4 -7.202 0.919 10.335 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.953 0.822 8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.917 0.220 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.847 0.072 7.008 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.234 -2.042 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.875 -2.777 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.435 -1.875 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.381 -1.084 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.765 -2.274 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.291 -0.566 10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.977 -0.990 10.664 1.00 0.00 H new ATOM 53 N GLU A 5 -7.177 3.145 7.991 1.00 0.00 N ATOM 54 CA GLU A 5 -7.313 4.389 7.272 1.00 0.00 C ATOM 55 C GLU A 5 -6.253 5.370 7.741 1.00 0.00 C ATOM 56 O GLU A 5 -5.525 5.945 6.935 1.00 0.00 O ATOM 57 CB GLU A 5 -8.712 4.989 7.457 1.00 0.00 C ATOM 58 CG GLU A 5 -9.752 4.088 6.776 1.00 0.00 C ATOM 59 CD GLU A 5 -11.130 4.753 6.757 1.00 0.00 C ATOM 60 OE1 GLU A 5 -11.271 5.825 7.320 1.00 0.00 O ATOM 61 OE2 GLU A 5 -12.018 4.199 6.158 1.00 0.00 O ATOM 0 H GLU A 5 -7.953 2.912 8.610 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.176 4.188 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.940 5.086 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.749 5.991 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.436 3.870 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.812 3.135 7.302 1.00 0.00 H new ATOM 68 N THR A 6 -6.067 5.438 9.045 1.00 0.00 N ATOM 69 CA THR A 6 -5.037 6.282 9.613 1.00 0.00 C ATOM 70 C THR A 6 -3.668 5.835 9.112 1.00 0.00 C ATOM 71 O THR A 6 -2.855 6.654 8.670 1.00 0.00 O ATOM 72 CB THR A 6 -5.099 6.210 11.139 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.449 6.386 11.557 1.00 0.00 O ATOM 74 CG2 THR A 6 -4.232 7.313 11.751 1.00 0.00 C ATOM 0 H THR A 6 -6.616 4.919 9.730 1.00 0.00 H new ATOM 0 HA THR A 6 -5.200 7.314 9.303 1.00 0.00 H new ATOM 0 HB THR A 6 -4.728 5.240 11.471 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.497 6.339 12.535 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.282 7.254 12.838 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.199 7.185 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.597 8.286 11.423 1.00 0.00 H new ATOM 82 N ALA A 7 -3.431 4.532 9.133 1.00 0.00 N ATOM 83 CA ALA A 7 -2.175 3.989 8.654 1.00 0.00 C ATOM 84 C ALA A 7 -1.926 4.444 7.227 1.00 0.00 C ATOM 85 O ALA A 7 -0.854 4.968 6.912 1.00 0.00 O ATOM 86 CB ALA A 7 -2.195 2.457 8.724 1.00 0.00 C ATOM 0 H ALA A 7 -4.092 3.835 9.476 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.369 4.355 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.245 2.064 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.348 2.142 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.006 2.075 8.104 1.00 0.00 H new ATOM 92 N MET A 8 -2.941 4.315 6.379 1.00 0.00 N ATOM 93 CA MET A 8 -2.820 4.772 4.999 1.00 0.00 C ATOM 94 C MET A 8 -2.642 6.281 4.947 1.00 0.00 C ATOM 95 O MET A 8 -1.775 6.787 4.220 1.00 0.00 O ATOM 96 CB MET A 8 -4.043 4.355 4.168 1.00 0.00 C ATOM 97 CG MET A 8 -4.146 2.827 4.123 1.00 0.00 C ATOM 98 SD MET A 8 -2.589 2.125 3.514 1.00 0.00 S ATOM 99 CE MET A 8 -2.641 2.836 1.861 1.00 0.00 C ATOM 0 H MET A 8 -3.844 3.904 6.617 1.00 0.00 H new ATOM 0 HA MET A 8 -1.937 4.299 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.950 4.777 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.959 4.753 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.366 2.439 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.969 2.528 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.193 2.140 1.151 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.677 3.026 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.084 3.773 1.850 1.00 0.00 H new ATOM 109 N GLU A 9 -3.380 6.992 5.785 1.00 0.00 N ATOM 110 CA GLU A 9 -3.251 8.446 5.853 1.00 0.00 C ATOM 111 C GLU A 9 -1.841 8.798 6.297 1.00 0.00 C ATOM 112 O GLU A 9 -1.236 9.763 5.812 1.00 0.00 O ATOM 113 CB GLU A 9 -4.251 9.035 6.852 1.00 0.00 C ATOM 114 CG GLU A 9 -5.692 8.882 6.336 1.00 0.00 C ATOM 115 CD GLU A 9 -6.684 9.362 7.389 1.00 0.00 C ATOM 116 OE1 GLU A 9 -6.265 10.004 8.333 1.00 0.00 O ATOM 117 OE2 GLU A 9 -7.856 9.094 7.237 1.00 0.00 O ATOM 0 H GLU A 9 -4.069 6.594 6.423 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.456 8.862 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.149 8.533 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.029 10.089 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.820 9.456 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.889 7.839 6.090 1.00 0.00 H new ATOM 124 N THR A 10 -1.310 7.999 7.206 1.00 0.00 N ATOM 125 CA THR A 10 0.034 8.209 7.698 1.00 0.00 C ATOM 126 C THR A 10 0.999 8.128 6.516 1.00 0.00 C ATOM 127 O THR A 10 1.836 9.013 6.309 1.00 0.00 O ATOM 128 CB THR A 10 0.380 7.140 8.753 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.714 6.997 9.659 1.00 0.00 O ATOM 130 CG2 THR A 10 1.613 7.579 9.549 1.00 0.00 C ATOM 0 H THR A 10 -1.792 7.199 7.617 1.00 0.00 H new ATOM 0 HA THR A 10 0.114 9.189 8.169 1.00 0.00 H new ATOM 0 HB THR A 10 0.580 6.195 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.404 6.433 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.854 6.821 10.294 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.458 7.704 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.406 8.525 10.049 1.00 0.00 H new ATOM 138 N LEU A 11 0.793 7.121 5.676 1.00 0.00 N ATOM 139 CA LEU A 11 1.580 6.973 4.460 1.00 0.00 C ATOM 140 C LEU A 11 1.350 8.164 3.534 1.00 0.00 C ATOM 141 O LEU A 11 2.293 8.671 2.916 1.00 0.00 O ATOM 142 CB LEU A 11 1.224 5.670 3.737 1.00 0.00 C ATOM 143 CG LEU A 11 1.694 4.452 4.555 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.081 3.184 3.964 1.00 0.00 C ATOM 145 CD2 LEU A 11 3.225 4.331 4.492 1.00 0.00 C ATOM 0 H LEU A 11 0.089 6.396 5.815 1.00 0.00 H new ATOM 0 HA LEU A 11 2.633 6.937 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.147 5.617 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.690 5.655 2.752 1.00 0.00 H new ATOM 0 HG LEU A 11 1.381 4.580 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.410 2.319 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.006 3.253 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.401 3.074 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.546 3.467 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.538 4.207 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.678 5.233 4.902 1.00 0.00 H new ATOM 157 N ILE A 12 0.099 8.612 3.435 1.00 0.00 N ATOM 158 CA ILE A 12 -0.220 9.739 2.562 1.00 0.00 C ATOM 159 C ILE A 12 0.518 10.975 3.021 1.00 0.00 C ATOM 160 O ILE A 12 1.106 11.681 2.216 1.00 0.00 O ATOM 161 CB ILE A 12 -1.737 10.035 2.583 1.00 0.00 C ATOM 162 CG1 ILE A 12 -2.543 8.910 1.907 1.00 0.00 C ATOM 163 CG2 ILE A 12 -2.029 11.376 1.897 1.00 0.00 C ATOM 164 CD1 ILE A 12 -2.302 8.909 0.389 1.00 0.00 C ATOM 0 H ILE A 12 -0.697 8.220 3.939 1.00 0.00 H new ATOM 0 HA ILE A 12 0.084 9.475 1.549 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.048 10.091 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.255 7.946 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.605 9.043 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.101 11.570 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.504 12.175 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.689 11.337 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.880 8.107 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.613 9.866 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.242 8.753 0.189 1.00 0.00 H new ATOM 176 N ASN A 13 0.496 11.225 4.313 1.00 0.00 N ATOM 177 CA ASN A 13 1.128 12.416 4.849 1.00 0.00 C ATOM 178 C ASN A 13 2.610 12.405 4.559 1.00 0.00 C ATOM 179 O ASN A 13 3.166 13.392 4.075 1.00 0.00 O ATOM 180 CB ASN A 13 0.909 12.487 6.355 1.00 0.00 C ATOM 181 CG ASN A 13 -0.493 12.979 6.656 1.00 0.00 C ATOM 182 OD1 ASN A 13 -0.733 14.188 6.716 1.00 0.00 O ATOM 183 ND2 ASN A 13 -1.451 12.120 6.819 1.00 0.00 N ATOM 0 H ASN A 13 0.051 10.626 5.009 1.00 0.00 H new ATOM 0 HA ASN A 13 0.680 13.288 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.060 11.503 6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.642 13.156 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.402 12.444 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.254 11.120 6.770 1.00 0.00 H new ATOM 190 N VAL A 14 3.239 11.262 4.775 1.00 0.00 N ATOM 191 CA VAL A 14 4.650 11.130 4.476 1.00 0.00 C ATOM 192 C VAL A 14 4.884 11.294 2.982 1.00 0.00 C ATOM 193 O VAL A 14 5.729 12.084 2.556 1.00 0.00 O ATOM 194 CB VAL A 14 5.177 9.776 4.972 1.00 0.00 C ATOM 195 CG1 VAL A 14 6.630 9.584 4.519 1.00 0.00 C ATOM 196 CG2 VAL A 14 5.113 9.736 6.506 1.00 0.00 C ATOM 0 H VAL A 14 2.799 10.423 5.152 1.00 0.00 H new ATOM 0 HA VAL A 14 5.198 11.915 4.996 1.00 0.00 H new ATOM 0 HB VAL A 14 4.563 8.977 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.998 8.621 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.678 9.612 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.248 10.382 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.487 8.775 6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.726 10.538 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.081 9.866 6.831 1.00 0.00 H new ATOM 206 N PHE A 15 4.090 10.595 2.187 1.00 0.00 N ATOM 207 CA PHE A 15 4.191 10.706 0.739 1.00 0.00 C ATOM 208 C PHE A 15 3.905 12.138 0.308 1.00 0.00 C ATOM 209 O PHE A 15 4.638 12.728 -0.489 1.00 0.00 O ATOM 210 CB PHE A 15 3.163 9.775 0.086 1.00 0.00 C ATOM 211 CG PHE A 15 3.320 9.807 -1.415 1.00 0.00 C ATOM 212 CD1 PHE A 15 2.640 10.766 -2.165 1.00 0.00 C ATOM 213 CD2 PHE A 15 4.148 8.881 -2.051 1.00 0.00 C ATOM 214 CE1 PHE A 15 2.782 10.799 -3.553 1.00 0.00 C ATOM 215 CE2 PHE A 15 4.290 8.913 -3.439 1.00 0.00 C ATOM 216 CZ PHE A 15 3.607 9.871 -4.189 1.00 0.00 C ATOM 0 H PHE A 15 3.373 9.949 2.516 1.00 0.00 H new ATOM 0 HA PHE A 15 5.198 10.427 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.297 8.757 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.154 10.083 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.002 11.484 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.678 8.141 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.254 11.541 -4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.929 8.196 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.717 9.894 -5.263 1.00 0.00 H new ATOM 226 N HIS A 16 2.818 12.670 0.831 1.00 0.00 N ATOM 227 CA HIS A 16 2.335 13.990 0.473 1.00 0.00 C ATOM 228 C HIS A 16 3.361 15.058 0.802 1.00 0.00 C ATOM 229 O HIS A 16 3.635 15.945 -0.024 1.00 0.00 O ATOM 230 CB HIS A 16 1.016 14.265 1.202 1.00 0.00 C ATOM 231 CG HIS A 16 0.372 15.518 0.697 1.00 0.00 C ATOM 232 ND1 HIS A 16 0.839 16.206 -0.411 1.00 0.00 N ATOM 233 CD2 HIS A 16 -0.738 16.197 1.125 1.00 0.00 C ATOM 234 CE1 HIS A 16 0.012 17.249 -0.614 1.00 0.00 C ATOM 235 NE2 HIS A 16 -0.967 17.293 0.297 1.00 0.00 N ATOM 0 H HIS A 16 2.239 12.194 1.523 1.00 0.00 H new ATOM 0 HA HIS A 16 2.165 14.020 -0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.338 13.423 1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.200 14.353 2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.344 15.924 1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.125 17.964 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.718 17.980 0.369 1.00 0.00 H new ATOM 244 N ALA A 17 3.941 14.970 1.994 1.00 0.00 N ATOM 245 CA ALA A 17 4.937 15.943 2.415 1.00 0.00 C ATOM 246 C ALA A 17 6.071 15.996 1.404 1.00 0.00 C ATOM 247 O ALA A 17 6.445 17.073 0.934 1.00 0.00 O ATOM 248 CB ALA A 17 5.484 15.594 3.804 1.00 0.00 C ATOM 0 H ALA A 17 3.740 14.241 2.679 1.00 0.00 H new ATOM 0 HA ALA A 17 4.462 16.922 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.227 16.335 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.668 15.591 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.946 14.607 3.776 1.00 0.00 H new ATOM 254 N HIS A 18 6.552 14.827 1.006 1.00 0.00 N ATOM 255 CA HIS A 18 7.589 14.743 -0.015 1.00 0.00 C ATOM 256 C HIS A 18 7.058 15.200 -1.374 1.00 0.00 C ATOM 257 O HIS A 18 7.755 15.899 -2.114 1.00 0.00 O ATOM 258 CB HIS A 18 8.189 13.335 -0.098 1.00 0.00 C ATOM 259 CG HIS A 18 9.073 13.086 1.104 1.00 0.00 C ATOM 260 ND1 HIS A 18 10.401 13.508 1.158 1.00 0.00 N ATOM 261 CD2 HIS A 18 8.832 12.470 2.309 1.00 0.00 C ATOM 262 CE1 HIS A 18 10.891 13.143 2.358 1.00 0.00 C ATOM 263 NE2 HIS A 18 9.980 12.508 3.096 1.00 0.00 N ATOM 0 H HIS A 18 6.243 13.926 1.372 1.00 0.00 H new ATOM 0 HA HIS A 18 8.392 15.420 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.393 12.592 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.768 13.229 -1.015 1.00 0.00 H new ATOM 0 HD1 HIS A 18 10.908 14.002 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.893 12.024 2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.901 13.341 2.684 1.00 0.00 H new ATOM 272 N SER A 19 5.806 14.867 -1.681 1.00 0.00 N ATOM 273 CA SER A 19 5.210 15.326 -2.936 1.00 0.00 C ATOM 274 C SER A 19 5.284 16.834 -3.007 1.00 0.00 C ATOM 275 O SER A 19 5.641 17.405 -4.040 1.00 0.00 O ATOM 276 CB SER A 19 3.749 14.890 -3.051 1.00 0.00 C ATOM 277 OG SER A 19 3.657 13.483 -2.902 1.00 0.00 O ATOM 0 H SER A 19 5.197 14.296 -1.096 1.00 0.00 H new ATOM 0 HA SER A 19 5.769 14.880 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.150 15.386 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.345 15.190 -4.018 1.00 0.00 H new ATOM 0 HG SER A 19 4.440 13.059 -3.311 1.00 0.00 H new ATOM 283 N GLY A 20 5.017 17.469 -1.885 1.00 0.00 N ATOM 284 CA GLY A 20 5.092 18.910 -1.809 1.00 0.00 C ATOM 285 C GLY A 20 6.487 19.390 -2.175 1.00 0.00 C ATOM 286 O GLY A 20 6.649 20.456 -2.765 1.00 0.00 O ATOM 0 H GLY A 20 4.747 17.010 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.360 19.354 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.840 19.241 -0.801 1.00 0.00 H new ATOM 290 N LYS A 21 7.497 18.618 -1.783 1.00 0.00 N ATOM 291 CA LYS A 21 8.886 19.015 -1.998 1.00 0.00 C ATOM 292 C LYS A 21 9.240 19.086 -3.485 1.00 0.00 C ATOM 293 O LYS A 21 9.853 20.060 -3.929 1.00 0.00 O ATOM 294 CB LYS A 21 9.836 18.034 -1.299 1.00 0.00 C ATOM 295 CG LYS A 21 9.565 18.015 0.216 1.00 0.00 C ATOM 296 CD LYS A 21 9.872 19.382 0.837 1.00 0.00 C ATOM 297 CE LYS A 21 9.604 19.318 2.346 1.00 0.00 C ATOM 298 NZ LYS A 21 10.577 18.392 2.978 1.00 0.00 N ATOM 0 H LYS A 21 7.381 17.718 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 21 9.002 20.012 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.704 17.034 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.870 18.323 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.524 17.751 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.177 17.248 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.911 19.655 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.252 20.152 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.692 20.312 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.586 18.976 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.030 18.863 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.081 17.539 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.303 18.124 2.283 1.00 0.00 H new ATOM 312 N GLU A 22 8.871 18.055 -4.251 1.00 0.00 N ATOM 313 CA GLU A 22 9.199 18.030 -5.688 1.00 0.00 C ATOM 314 C GLU A 22 8.206 17.203 -6.503 1.00 0.00 C ATOM 315 O GLU A 22 8.006 17.464 -7.696 1.00 0.00 O ATOM 316 CB GLU A 22 10.622 17.478 -5.931 1.00 0.00 C ATOM 317 CG GLU A 22 11.677 18.368 -5.252 1.00 0.00 C ATOM 318 CD GLU A 22 13.067 17.937 -5.678 1.00 0.00 C ATOM 319 OE1 GLU A 22 13.355 18.033 -6.856 1.00 0.00 O ATOM 320 OE2 GLU A 22 13.828 17.519 -4.833 1.00 0.00 O ATOM 0 H GLU A 22 8.356 17.241 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 22 9.142 19.066 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.694 16.462 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.819 17.426 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.512 19.412 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.581 18.298 -4.168 1.00 0.00 H new ATOM 327 N GLY A 23 7.715 16.126 -5.918 1.00 0.00 N ATOM 328 CA GLY A 23 6.883 15.168 -6.649 1.00 0.00 C ATOM 329 C GLY A 23 5.541 15.756 -7.074 1.00 0.00 C ATOM 330 O GLY A 23 4.537 15.586 -6.375 1.00 0.00 O ATOM 0 H GLY A 23 7.874 15.886 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.421 14.826 -7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.709 14.293 -6.023 1.00 0.00 H new ATOM 334 N ASP A 24 5.503 16.323 -8.295 1.00 0.00 N ATOM 335 CA ASP A 24 4.257 16.841 -8.903 1.00 0.00 C ATOM 336 C ASP A 24 3.384 17.503 -7.839 1.00 0.00 C ATOM 337 O ASP A 24 3.903 17.990 -6.829 1.00 0.00 O ATOM 338 CB ASP A 24 3.495 15.675 -9.572 1.00 0.00 C ATOM 339 CG ASP A 24 2.413 16.187 -10.490 1.00 0.00 C ATOM 340 OD1 ASP A 24 2.732 16.598 -11.581 1.00 0.00 O ATOM 341 OD2 ASP A 24 1.273 16.164 -10.093 1.00 0.00 O ATOM 0 H ASP A 24 6.327 16.436 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 24 4.506 17.590 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.193 15.057 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.054 15.038 -8.805 1.00 0.00 H new ATOM 346 N LYS A 25 2.062 17.434 -8.001 1.00 0.00 N ATOM 347 CA LYS A 25 1.173 17.842 -6.930 1.00 0.00 C ATOM 348 C LYS A 25 0.813 16.634 -6.089 1.00 0.00 C ATOM 349 O LYS A 25 0.885 16.694 -4.856 1.00 0.00 O ATOM 350 CB LYS A 25 -0.067 18.626 -7.404 1.00 0.00 C ATOM 351 CG LYS A 25 -0.704 18.019 -8.658 1.00 0.00 C ATOM 352 CD LYS A 25 -2.019 18.764 -8.915 1.00 0.00 C ATOM 353 CE LYS A 25 -2.739 18.181 -10.128 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.079 18.635 -11.380 1.00 0.00 N ATOM 0 H LYS A 25 1.597 17.106 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 25 1.713 18.559 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.805 18.651 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.217 19.658 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.035 18.116 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.888 16.954 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.660 18.694 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.817 19.823 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.730 17.092 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.784 18.492 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.597 18.261 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.079 19.674 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.099 18.288 -11.401 1.00 0.00 H new ATOM 368 N TYR A 26 0.703 15.479 -6.754 1.00 0.00 N ATOM 369 CA TYR A 26 0.682 14.206 -6.045 1.00 0.00 C ATOM 370 C TYR A 26 1.653 13.250 -6.705 1.00 0.00 C ATOM 371 O TYR A 26 1.277 12.464 -7.578 1.00 0.00 O ATOM 372 CB TYR A 26 -0.719 13.556 -5.999 1.00 0.00 C ATOM 373 CG TYR A 26 -1.791 14.413 -6.641 1.00 0.00 C ATOM 374 CD1 TYR A 26 -2.112 15.679 -6.125 1.00 0.00 C ATOM 375 CD2 TYR A 26 -2.478 13.919 -7.750 1.00 0.00 C ATOM 376 CE1 TYR A 26 -3.127 16.440 -6.730 1.00 0.00 C ATOM 377 CE2 TYR A 26 -3.481 14.673 -8.350 1.00 0.00 C ATOM 378 CZ TYR A 26 -3.812 15.932 -7.846 1.00 0.00 C ATOM 379 OH TYR A 26 -4.816 16.667 -8.454 1.00 0.00 O ATOM 0 H TYR A 26 0.628 15.404 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 26 0.972 14.412 -5.015 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.682 12.591 -6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.990 13.362 -4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.582 16.066 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.230 12.945 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.380 17.414 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.006 14.283 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.641 17.623 -8.332 1.00 0.00 H new ATOM 389 N LYS A 27 2.865 13.244 -6.203 1.00 0.00 N ATOM 390 CA LYS A 27 3.910 12.335 -6.636 1.00 0.00 C ATOM 391 C LYS A 27 5.025 12.311 -5.638 1.00 0.00 C ATOM 392 O LYS A 27 5.169 13.220 -4.838 1.00 0.00 O ATOM 393 CB LYS A 27 4.498 12.700 -8.011 1.00 0.00 C ATOM 394 CG LYS A 27 3.634 12.182 -9.160 1.00 0.00 C ATOM 395 CD LYS A 27 3.491 10.656 -9.024 1.00 0.00 C ATOM 396 CE LYS A 27 3.371 10.030 -10.418 1.00 0.00 C ATOM 397 NZ LYS A 27 3.327 8.546 -10.331 1.00 0.00 N ATOM 0 H LYS A 27 3.163 13.883 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 27 3.440 11.355 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.593 13.783 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.502 12.285 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.653 12.656 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.089 12.435 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.354 10.244 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.611 10.414 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.470 10.396 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.217 10.337 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.744 8.135 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.867 8.231 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.339 8.233 -10.242 1.00 0.00 H new ATOM 411 N LEU A 28 5.873 11.340 -5.774 1.00 0.00 N ATOM 412 CA LEU A 28 7.087 11.274 -5.016 1.00 0.00 C ATOM 413 C LEU A 28 8.247 11.129 -5.988 1.00 0.00 C ATOM 414 O LEU A 28 8.175 10.336 -6.927 1.00 0.00 O ATOM 415 CB LEU A 28 7.021 10.096 -4.050 1.00 0.00 C ATOM 416 CG LEU A 28 8.355 9.893 -3.346 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.626 11.062 -2.400 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.285 8.597 -2.550 1.00 0.00 C ATOM 0 H LEU A 28 5.742 10.562 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 28 7.228 12.180 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.239 10.270 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.751 9.190 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 28 9.160 9.842 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.582 10.911 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.658 11.991 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.832 11.119 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.233 8.433 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.482 8.664 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.090 7.765 -3.226 1.00 0.00 H new ATOM 430 N SER A 29 9.268 11.946 -5.841 1.00 0.00 N ATOM 431 CA SER A 29 10.377 11.881 -6.768 1.00 0.00 C ATOM 432 C SER A 29 11.317 10.754 -6.360 1.00 0.00 C ATOM 433 O SER A 29 11.414 10.412 -5.174 1.00 0.00 O ATOM 434 CB SER A 29 11.123 13.217 -6.789 1.00 0.00 C ATOM 435 OG SER A 29 10.194 14.275 -6.555 1.00 0.00 O ATOM 0 H SER A 29 9.354 12.648 -5.106 1.00 0.00 H new ATOM 0 HA SER A 29 9.998 11.682 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.902 13.225 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.617 13.357 -7.750 1.00 0.00 H new ATOM 0 HG SER A 29 10.308 14.968 -7.239 1.00 0.00 H new ATOM 441 N LYS A 30 12.080 10.246 -7.312 1.00 0.00 N ATOM 442 CA LYS A 30 13.055 9.204 -7.028 1.00 0.00 C ATOM 443 C LYS A 30 14.194 9.791 -6.209 1.00 0.00 C ATOM 444 O LYS A 30 15.112 9.076 -5.791 1.00 0.00 O ATOM 445 CB LYS A 30 13.591 8.584 -8.331 1.00 0.00 C ATOM 446 CG LYS A 30 12.421 8.044 -9.181 1.00 0.00 C ATOM 447 CD LYS A 30 11.797 6.801 -8.507 1.00 0.00 C ATOM 448 CE LYS A 30 12.561 5.515 -8.901 1.00 0.00 C ATOM 449 NZ LYS A 30 13.223 5.673 -10.235 1.00 0.00 N ATOM 0 H LYS A 30 12.044 10.537 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 30 12.571 8.411 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.147 9.331 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.286 7.777 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.664 8.818 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.776 7.785 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.816 6.922 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.751 6.711 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.311 5.286 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.871 4.672 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.539 4.743 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.547 6.081 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.044 6.305 -10.143 1.00 0.00 H new ATOM 463 N LYS A 31 14.123 11.098 -6.007 1.00 0.00 N ATOM 464 CA LYS A 31 15.104 11.826 -5.222 1.00 0.00 C ATOM 465 C LYS A 31 14.775 11.613 -3.752 1.00 0.00 C ATOM 466 O LYS A 31 15.567 11.076 -2.977 1.00 0.00 O ATOM 467 CB LYS A 31 14.953 13.333 -5.496 1.00 0.00 C ATOM 468 CG LYS A 31 14.509 13.582 -6.941 1.00 0.00 C ATOM 469 CD LYS A 31 14.235 15.072 -7.129 1.00 0.00 C ATOM 470 CE LYS A 31 13.608 15.302 -8.500 1.00 0.00 C ATOM 471 NZ LYS A 31 13.756 16.726 -8.876 1.00 0.00 N ATOM 0 H LYS A 31 13.379 11.685 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 31 16.108 11.483 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.224 13.761 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.901 13.838 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.282 13.251 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.612 13.004 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.567 15.432 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.163 15.638 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.089 14.666 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.553 15.027 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.944 17.018 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.795 17.310 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.633 16.852 -9.420 1.00 0.00 H new ATOM 485 N GLU A 32 13.561 12.030 -3.411 1.00 0.00 N ATOM 486 CA GLU A 32 13.016 11.947 -2.070 1.00 0.00 C ATOM 487 C GLU A 32 12.814 10.502 -1.677 1.00 0.00 C ATOM 488 O GLU A 32 12.958 10.133 -0.510 1.00 0.00 O ATOM 489 CB GLU A 32 11.650 12.649 -2.062 1.00 0.00 C ATOM 490 CG GLU A 32 11.811 14.160 -2.313 1.00 0.00 C ATOM 491 CD GLU A 32 12.498 14.835 -1.134 1.00 0.00 C ATOM 492 OE1 GLU A 32 12.456 14.291 -0.053 1.00 0.00 O ATOM 493 OE2 GLU A 32 13.046 15.891 -1.323 1.00 0.00 O ATOM 0 H GLU A 32 12.915 12.446 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 32 13.705 12.417 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.008 12.215 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.157 12.485 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.393 14.322 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.833 14.612 -2.477 1.00 0.00 H new ATOM 500 N LEU A 33 12.369 9.711 -2.633 1.00 0.00 N ATOM 501 CA LEU A 33 11.962 8.348 -2.356 1.00 0.00 C ATOM 502 C LEU A 33 13.104 7.544 -1.763 1.00 0.00 C ATOM 503 O LEU A 33 12.913 6.818 -0.785 1.00 0.00 O ATOM 504 CB LEU A 33 11.425 7.686 -3.648 1.00 0.00 C ATOM 505 CG LEU A 33 11.001 6.212 -3.419 1.00 0.00 C ATOM 506 CD1 LEU A 33 12.226 5.294 -3.433 1.00 0.00 C ATOM 507 CD2 LEU A 33 10.232 6.043 -2.097 1.00 0.00 C ATOM 0 H LEU A 33 12.280 9.989 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 33 11.162 8.368 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.572 8.254 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.193 7.725 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 33 10.334 5.932 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.910 4.263 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.728 5.372 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.913 5.592 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.951 4.997 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.866 6.352 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.334 6.660 -2.117 1.00 0.00 H new ATOM 519 N LYS A 34 14.293 7.691 -2.319 1.00 0.00 N ATOM 520 CA LYS A 34 15.426 6.929 -1.817 1.00 0.00 C ATOM 521 C LYS A 34 15.699 7.308 -0.373 1.00 0.00 C ATOM 522 O LYS A 34 15.927 6.447 0.480 1.00 0.00 O ATOM 523 CB LYS A 34 16.678 7.262 -2.627 1.00 0.00 C ATOM 524 CG LYS A 34 16.522 6.810 -4.078 1.00 0.00 C ATOM 525 CD LYS A 34 17.793 7.187 -4.844 1.00 0.00 C ATOM 526 CE LYS A 34 17.647 6.810 -6.318 1.00 0.00 C ATOM 527 NZ LYS A 34 16.929 7.904 -7.026 1.00 0.00 N ATOM 0 H LYS A 34 14.499 8.315 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 34 15.190 5.868 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.863 8.336 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.545 6.775 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.358 5.733 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.652 7.285 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.980 8.257 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.653 6.675 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.628 6.652 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.097 5.874 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.615 7.567 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.102 8.195 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.567 8.716 -7.148 1.00 0.00 H new ATOM 541 N GLU A 35 15.693 8.603 -0.110 1.00 0.00 N ATOM 542 CA GLU A 35 15.998 9.100 1.210 1.00 0.00 C ATOM 543 C GLU A 35 14.868 8.816 2.172 1.00 0.00 C ATOM 544 O GLU A 35 15.083 8.286 3.271 1.00 0.00 O ATOM 545 CB GLU A 35 16.280 10.602 1.154 1.00 0.00 C ATOM 546 CG GLU A 35 17.513 10.847 0.277 1.00 0.00 C ATOM 547 CD GLU A 35 18.714 10.133 0.857 1.00 0.00 C ATOM 548 OE1 GLU A 35 18.979 10.305 2.023 1.00 0.00 O ATOM 549 OE2 GLU A 35 19.344 9.412 0.136 1.00 0.00 O ATOM 0 H GLU A 35 15.479 9.326 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 35 16.887 8.584 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.418 11.132 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.449 10.991 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.324 10.493 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.714 11.916 0.209 1.00 0.00 H new ATOM 556 N LEU A 36 13.667 9.157 1.761 1.00 0.00 N ATOM 557 CA LEU A 36 12.509 8.944 2.592 1.00 0.00 C ATOM 558 C LEU A 36 12.276 7.464 2.854 1.00 0.00 C ATOM 559 O LEU A 36 12.032 7.065 3.988 1.00 0.00 O ATOM 560 CB LEU A 36 11.270 9.652 1.990 1.00 0.00 C ATOM 561 CG LEU A 36 10.173 8.655 1.575 1.00 0.00 C ATOM 562 CD1 LEU A 36 9.345 8.246 2.786 1.00 0.00 C ATOM 563 CD2 LEU A 36 9.261 9.325 0.560 1.00 0.00 C ATOM 0 H LEU A 36 13.469 9.583 0.856 1.00 0.00 H new ATOM 0 HA LEU A 36 12.693 9.396 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.864 10.353 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.574 10.237 1.122 1.00 0.00 H new ATOM 0 HG LEU A 36 10.639 7.768 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.573 7.541 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.992 7.775 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.877 9.129 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.479 8.628 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.806 10.209 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.843 9.619 -0.314 1.00 0.00 H new ATOM 575 N LEU A 37 12.386 6.643 1.820 1.00 0.00 N ATOM 576 CA LEU A 37 12.131 5.221 1.991 1.00 0.00 C ATOM 577 C LEU A 37 13.116 4.609 2.977 1.00 0.00 C ATOM 578 O LEU A 37 12.713 3.937 3.934 1.00 0.00 O ATOM 579 CB LEU A 37 12.161 4.485 0.630 1.00 0.00 C ATOM 580 CG LEU A 37 11.861 2.978 0.788 1.00 0.00 C ATOM 581 CD1 LEU A 37 13.114 2.220 1.234 1.00 0.00 C ATOM 582 CD2 LEU A 37 10.735 2.754 1.799 1.00 0.00 C ATOM 0 H LEU A 37 12.644 6.928 0.875 1.00 0.00 H new ATOM 0 HA LEU A 37 11.130 5.102 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.429 4.933 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.140 4.615 0.168 1.00 0.00 H new ATOM 0 HG LEU A 37 11.545 2.596 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.880 1.161 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.900 2.346 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.455 2.613 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.540 1.686 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.030 3.158 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.832 3.259 1.456 1.00 0.00 H new ATOM 594 N GLN A 38 14.395 4.925 2.820 1.00 0.00 N ATOM 595 CA GLN A 38 15.377 4.431 3.767 1.00 0.00 C ATOM 596 C GLN A 38 15.139 5.034 5.138 1.00 0.00 C ATOM 597 O GLN A 38 15.241 4.347 6.158 1.00 0.00 O ATOM 598 CB GLN A 38 16.819 4.671 3.290 1.00 0.00 C ATOM 599 CG GLN A 38 17.196 6.159 3.345 1.00 0.00 C ATOM 600 CD GLN A 38 18.669 6.318 2.974 1.00 0.00 C ATOM 601 OE1 GLN A 38 19.085 7.409 2.409 1.00 0.00 O flip ATOM 602 NE2 GLN A 38 19.468 5.409 3.222 1.00 0.00 N flip ATOM 0 H GLN A 38 14.766 5.505 2.067 1.00 0.00 H new ATOM 0 HA GLN A 38 15.251 3.351 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.508 4.098 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 38 16.930 4.305 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.572 6.730 2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 38 17.015 6.556 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 38 19.142 4.551 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 38 20.454 5.517 2.983 1.00 0.00 H new ATOM 611 N THR A 39 14.810 6.311 5.156 1.00 0.00 N ATOM 612 CA THR A 39 14.538 6.999 6.395 1.00 0.00 C ATOM 613 C THR A 39 13.325 6.400 7.099 1.00 0.00 C ATOM 614 O THR A 39 13.360 6.142 8.306 1.00 0.00 O ATOM 615 CB THR A 39 14.292 8.484 6.105 1.00 0.00 C ATOM 616 OG1 THR A 39 15.454 9.055 5.508 1.00 0.00 O ATOM 617 CG2 THR A 39 13.961 9.232 7.393 1.00 0.00 C ATOM 0 H THR A 39 14.725 6.891 4.322 1.00 0.00 H new ATOM 0 HA THR A 39 15.400 6.888 7.053 1.00 0.00 H new ATOM 0 HB THR A 39 13.448 8.571 5.421 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.326 9.119 4.538 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.789 10.285 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.064 8.805 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.793 9.141 8.091 1.00 0.00 H new ATOM 625 N GLU A 40 12.229 6.262 6.374 1.00 0.00 N ATOM 626 CA GLU A 40 10.997 5.810 6.987 1.00 0.00 C ATOM 627 C GLU A 40 11.039 4.327 7.335 1.00 0.00 C ATOM 628 O GLU A 40 10.489 3.913 8.354 1.00 0.00 O ATOM 629 CB GLU A 40 9.792 6.132 6.106 1.00 0.00 C ATOM 630 CG GLU A 40 9.726 7.650 5.861 1.00 0.00 C ATOM 631 CD GLU A 40 9.643 8.421 7.158 1.00 0.00 C ATOM 632 OE1 GLU A 40 8.748 8.164 7.924 1.00 0.00 O ATOM 633 OE2 GLU A 40 10.483 9.266 7.371 1.00 0.00 O ATOM 0 H GLU A 40 12.168 6.454 5.374 1.00 0.00 H new ATOM 0 HA GLU A 40 10.889 6.357 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.871 5.603 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.875 5.790 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.608 7.968 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.858 7.882 5.243 1.00 0.00 H new ATOM 640 N LEU A 41 11.632 3.521 6.455 1.00 0.00 N ATOM 641 CA LEU A 41 11.668 2.063 6.641 1.00 0.00 C ATOM 642 C LEU A 41 13.045 1.580 7.071 1.00 0.00 C ATOM 643 O LEU A 41 13.464 0.479 6.705 1.00 0.00 O ATOM 644 CB LEU A 41 11.242 1.333 5.358 1.00 0.00 C ATOM 645 CG LEU A 41 9.710 1.177 5.322 1.00 0.00 C ATOM 646 CD1 LEU A 41 9.036 2.553 5.272 1.00 0.00 C ATOM 647 CD2 LEU A 41 9.308 0.365 4.090 1.00 0.00 C ATOM 0 H LEU A 41 12.094 3.848 5.607 1.00 0.00 H new ATOM 0 HA LEU A 41 10.961 1.830 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.579 1.890 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.716 0.353 5.313 1.00 0.00 H new ATOM 0 HG LEU A 41 9.386 0.659 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.954 2.427 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.314 3.127 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.360 3.085 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.224 0.255 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.641 0.881 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.772 -0.620 4.136 1.00 0.00 H new ATOM 659 N SER A 42 13.763 2.400 7.813 1.00 0.00 N ATOM 660 CA SER A 42 15.104 2.031 8.235 1.00 0.00 C ATOM 661 C SER A 42 15.105 0.659 8.913 1.00 0.00 C ATOM 662 O SER A 42 15.974 -0.171 8.645 1.00 0.00 O ATOM 663 CB SER A 42 15.677 3.095 9.178 1.00 0.00 C ATOM 664 OG SER A 42 15.725 4.355 8.503 1.00 0.00 O ATOM 0 H SER A 42 13.448 3.315 8.134 1.00 0.00 H new ATOM 0 HA SER A 42 15.736 1.972 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.060 3.173 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.676 2.807 9.504 1.00 0.00 H new ATOM 0 HG SER A 42 15.832 4.206 7.540 1.00 0.00 H new ATOM 670 N GLY A 43 14.103 0.401 9.736 1.00 0.00 N ATOM 671 CA GLY A 43 13.996 -0.878 10.417 1.00 0.00 C ATOM 672 C GLY A 43 13.818 -2.022 9.428 1.00 0.00 C ATOM 673 O GLY A 43 14.532 -3.033 9.503 1.00 0.00 O ATOM 0 H GLY A 43 13.353 1.059 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.891 -1.049 11.016 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.151 -0.856 11.105 1.00 0.00 H new ATOM 677 N PHE A 44 12.915 -1.855 8.465 1.00 0.00 N ATOM 678 CA PHE A 44 12.734 -2.874 7.433 1.00 0.00 C ATOM 679 C PHE A 44 13.926 -2.897 6.523 1.00 0.00 C ATOM 680 O PHE A 44 14.459 -3.956 6.191 1.00 0.00 O ATOM 681 CB PHE A 44 11.455 -2.651 6.600 1.00 0.00 C ATOM 682 CG PHE A 44 10.223 -3.118 7.359 1.00 0.00 C ATOM 683 CD1 PHE A 44 10.176 -4.405 7.906 1.00 0.00 C ATOM 684 CD2 PHE A 44 9.133 -2.263 7.508 1.00 0.00 C ATOM 685 CE1 PHE A 44 9.040 -4.833 8.599 1.00 0.00 C ATOM 686 CE2 PHE A 44 7.993 -2.691 8.203 1.00 0.00 C ATOM 687 CZ PHE A 44 7.948 -3.978 8.747 1.00 0.00 C ATOM 0 H PHE A 44 12.307 -1.040 8.377 1.00 0.00 H new ATOM 0 HA PHE A 44 12.630 -3.831 7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.356 -1.594 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.532 -3.192 5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.020 -5.070 7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.166 -1.269 7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.008 -5.827 9.020 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.150 -2.026 8.318 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.070 -4.310 9.281 1.00 0.00 H new ATOM 697 N LEU A 45 14.376 -1.716 6.163 1.00 0.00 N ATOM 698 CA LEU A 45 15.504 -1.580 5.286 1.00 0.00 C ATOM 699 C LEU A 45 16.745 -2.197 5.892 1.00 0.00 C ATOM 700 O LEU A 45 17.427 -2.976 5.242 1.00 0.00 O ATOM 701 CB LEU A 45 15.737 -0.099 4.955 1.00 0.00 C ATOM 702 CG LEU A 45 17.045 0.057 4.183 1.00 0.00 C ATOM 703 CD1 LEU A 45 17.003 -0.735 2.872 1.00 0.00 C ATOM 704 CD2 LEU A 45 17.315 1.533 3.892 1.00 0.00 C ATOM 0 H LEU A 45 13.970 -0.832 6.470 1.00 0.00 H new ATOM 0 HA LEU A 45 15.288 -2.116 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.906 0.286 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.773 0.487 5.873 1.00 0.00 H new ATOM 0 HG LEU A 45 17.852 -0.338 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.946 -0.608 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.849 -1.792 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.184 -0.369 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.251 1.630 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.499 1.942 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.388 2.082 4.831 1.00 0.00 H new ATOM 716 N ASP A 46 17.013 -1.899 7.148 1.00 0.00 N ATOM 717 CA ASP A 46 18.169 -2.486 7.811 1.00 0.00 C ATOM 718 C ASP A 46 18.008 -3.987 7.918 1.00 0.00 C ATOM 719 O ASP A 46 18.969 -4.746 7.751 1.00 0.00 O ATOM 720 CB ASP A 46 18.366 -1.897 9.199 1.00 0.00 C ATOM 721 CG ASP A 46 19.602 -2.495 9.828 1.00 0.00 C ATOM 722 OD1 ASP A 46 20.677 -2.253 9.321 1.00 0.00 O ATOM 723 OD2 ASP A 46 19.464 -3.193 10.809 1.00 0.00 O ATOM 0 H ASP A 46 16.459 -1.266 7.725 1.00 0.00 H new ATOM 0 HA ASP A 46 19.048 -2.256 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.465 -0.813 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.494 -2.101 9.820 1.00 0.00 H new ATOM 728 N ALA A 47 16.787 -4.417 8.201 1.00 0.00 N ATOM 729 CA ALA A 47 16.496 -5.833 8.351 1.00 0.00 C ATOM 730 C ALA A 47 16.797 -6.580 7.066 1.00 0.00 C ATOM 731 O ALA A 47 17.217 -7.735 7.104 1.00 0.00 O ATOM 732 CB ALA A 47 15.040 -6.058 8.770 1.00 0.00 C ATOM 0 H ALA A 47 15.982 -3.804 8.331 1.00 0.00 H new ATOM 0 HA ALA A 47 17.139 -6.223 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.852 -7.127 8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.855 -5.562 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.375 -5.645 8.011 1.00 0.00 H new ATOM 738 N GLN A 48 16.559 -5.937 5.929 1.00 0.00 N ATOM 739 CA GLN A 48 16.834 -6.565 4.637 1.00 0.00 C ATOM 740 C GLN A 48 17.627 -5.639 3.720 1.00 0.00 C ATOM 741 O GLN A 48 17.337 -5.544 2.524 1.00 0.00 O ATOM 742 CB GLN A 48 15.540 -7.054 3.936 1.00 0.00 C ATOM 743 CG GLN A 48 14.294 -6.353 4.502 1.00 0.00 C ATOM 744 CD GLN A 48 13.973 -5.086 3.710 1.00 0.00 C ATOM 745 OE1 GLN A 48 12.870 -4.559 3.814 1.00 0.00 O ATOM 746 NE2 GLN A 48 14.866 -4.565 2.917 1.00 0.00 N ATOM 0 H GLN A 48 16.180 -4.992 5.872 1.00 0.00 H new ATOM 0 HA GLN A 48 17.446 -7.443 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.611 -6.864 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.441 -8.132 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.443 -7.033 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.459 -6.100 5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.784 -5.000 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.647 -3.722 2.386 1.00 0.00 H new ATOM 755 N LYS A 49 18.610 -4.950 4.276 1.00 0.00 N ATOM 756 CA LYS A 49 19.433 -4.040 3.488 1.00 0.00 C ATOM 757 C LYS A 49 20.246 -4.809 2.460 1.00 0.00 C ATOM 758 O LYS A 49 20.534 -4.301 1.371 1.00 0.00 O ATOM 759 CB LYS A 49 20.372 -3.208 4.372 1.00 0.00 C ATOM 760 CG LYS A 49 21.093 -2.168 3.490 1.00 0.00 C ATOM 761 CD LYS A 49 22.618 -2.339 3.590 1.00 0.00 C ATOM 762 CE LYS A 49 23.229 -2.248 2.184 1.00 0.00 C ATOM 763 NZ LYS A 49 22.833 -3.447 1.401 1.00 0.00 N ATOM 0 H LYS A 49 18.859 -5.001 5.264 1.00 0.00 H new ATOM 0 HA LYS A 49 18.756 -3.356 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 49 19.806 -2.709 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.099 -3.855 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.776 -2.280 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.813 -1.162 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.041 -1.568 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 49 22.859 -3.301 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 22.886 -1.342 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 24.315 -2.184 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.363 -3.468 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.044 -4.305 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.814 -3.408 1.198 1.00 0.00 H new ATOM 777 N ASP A 50 20.740 -5.973 2.866 1.00 0.00 N ATOM 778 CA ASP A 50 21.614 -6.783 2.011 1.00 0.00 C ATOM 779 C ASP A 50 20.864 -7.885 1.300 1.00 0.00 C ATOM 780 O ASP A 50 21.472 -8.702 0.603 1.00 0.00 O ATOM 781 CB ASP A 50 22.803 -7.361 2.791 1.00 0.00 C ATOM 782 CG ASP A 50 24.034 -6.498 2.596 1.00 0.00 C ATOM 783 OD1 ASP A 50 23.899 -5.291 2.581 1.00 0.00 O ATOM 784 OD2 ASP A 50 25.103 -7.056 2.464 1.00 0.00 O ATOM 0 H ASP A 50 20.553 -6.381 3.782 1.00 0.00 H new ATOM 0 HA ASP A 50 22.003 -6.105 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 22.557 -7.419 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 50 23.007 -8.378 2.455 1.00 0.00 H new ATOM 789 N VAL A 51 19.555 -7.907 1.445 1.00 0.00 N ATOM 790 CA VAL A 51 18.752 -8.890 0.745 1.00 0.00 C ATOM 791 C VAL A 51 18.479 -8.389 -0.664 1.00 0.00 C ATOM 792 O VAL A 51 17.901 -7.319 -0.844 1.00 0.00 O ATOM 793 CB VAL A 51 17.438 -9.156 1.503 1.00 0.00 C ATOM 794 CG1 VAL A 51 16.718 -10.365 0.897 1.00 0.00 C ATOM 795 CG2 VAL A 51 17.755 -9.465 2.971 1.00 0.00 C ATOM 0 H VAL A 51 19.028 -7.263 2.035 1.00 0.00 H new ATOM 0 HA VAL A 51 19.294 -9.834 0.690 1.00 0.00 H new ATOM 0 HB VAL A 51 16.802 -8.274 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.790 -10.545 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.493 -10.167 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.358 -11.244 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.828 -9.654 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.394 -10.346 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.269 -8.615 3.419 1.00 0.00 H new ATOM 805 N ASP A 52 18.907 -9.156 -1.656 1.00 0.00 N ATOM 806 CA ASP A 52 18.780 -8.752 -3.059 1.00 0.00 C ATOM 807 C ASP A 52 17.380 -8.270 -3.364 1.00 0.00 C ATOM 808 O ASP A 52 17.181 -7.359 -4.174 1.00 0.00 O ATOM 809 CB ASP A 52 19.147 -9.911 -3.987 1.00 0.00 C ATOM 810 CG ASP A 52 18.881 -9.530 -5.422 1.00 0.00 C ATOM 811 OD1 ASP A 52 19.480 -8.587 -5.891 1.00 0.00 O ATOM 812 OD2 ASP A 52 18.072 -10.191 -6.048 1.00 0.00 O ATOM 0 H ASP A 52 19.348 -10.066 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 52 19.472 -7.927 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 52 20.198 -10.170 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.567 -10.796 -3.724 1.00 0.00 H new ATOM 817 N ALA A 53 16.415 -8.869 -2.706 1.00 0.00 N ATOM 818 CA ALA A 53 15.028 -8.507 -2.899 1.00 0.00 C ATOM 819 C ALA A 53 14.848 -6.997 -2.797 1.00 0.00 C ATOM 820 O ALA A 53 13.999 -6.422 -3.482 1.00 0.00 O ATOM 821 CB ALA A 53 14.145 -9.203 -1.855 1.00 0.00 C ATOM 0 H ALA A 53 16.566 -9.615 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 53 14.728 -8.831 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.104 -8.921 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.247 -10.284 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.456 -8.899 -0.855 1.00 0.00 H new ATOM 827 N VAL A 54 15.651 -6.352 -1.947 1.00 0.00 N ATOM 828 CA VAL A 54 15.529 -4.914 -1.759 1.00 0.00 C ATOM 829 C VAL A 54 15.786 -4.176 -3.074 1.00 0.00 C ATOM 830 O VAL A 54 14.967 -3.371 -3.507 1.00 0.00 O ATOM 831 CB VAL A 54 16.478 -4.412 -0.635 1.00 0.00 C ATOM 832 CG1 VAL A 54 17.949 -4.450 -1.079 1.00 0.00 C ATOM 833 CG2 VAL A 54 16.104 -2.982 -0.215 1.00 0.00 C ATOM 0 H VAL A 54 16.379 -6.798 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 54 14.508 -4.698 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 54 16.359 -5.083 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.583 -4.092 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.226 -5.473 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 54 18.082 -3.812 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.778 -2.646 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.189 -2.316 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 54 15.079 -2.968 0.155 1.00 0.00 H new ATOM 843 N ASP A 55 16.851 -4.555 -3.773 1.00 0.00 N ATOM 844 CA ASP A 55 17.149 -3.958 -5.075 1.00 0.00 C ATOM 845 C ASP A 55 16.030 -4.261 -6.027 1.00 0.00 C ATOM 846 O ASP A 55 15.636 -3.422 -6.844 1.00 0.00 O ATOM 847 CB ASP A 55 18.443 -4.540 -5.654 1.00 0.00 C ATOM 848 CG ASP A 55 18.876 -3.736 -6.868 1.00 0.00 C ATOM 849 OD1 ASP A 55 19.090 -2.553 -6.729 1.00 0.00 O ATOM 850 OD2 ASP A 55 18.999 -4.314 -7.920 1.00 0.00 O ATOM 0 H ASP A 55 17.517 -5.264 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 55 17.263 -2.882 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.228 -4.525 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.290 -5.582 -5.934 1.00 0.00 H new ATOM 855 N LYS A 56 15.541 -5.477 -5.947 1.00 0.00 N ATOM 856 CA LYS A 56 14.484 -5.908 -6.823 1.00 0.00 C ATOM 857 C LYS A 56 13.221 -5.107 -6.541 1.00 0.00 C ATOM 858 O LYS A 56 12.603 -4.566 -7.456 1.00 0.00 O ATOM 859 CB LYS A 56 14.234 -7.408 -6.670 1.00 0.00 C ATOM 860 CG LYS A 56 15.521 -8.182 -7.003 1.00 0.00 C ATOM 861 CD LYS A 56 16.017 -7.779 -8.393 1.00 0.00 C ATOM 862 CE LYS A 56 16.930 -8.869 -8.958 1.00 0.00 C ATOM 863 NZ LYS A 56 18.161 -8.967 -8.139 1.00 0.00 N ATOM 0 H LYS A 56 15.860 -6.183 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 56 14.783 -5.728 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.916 -7.632 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.427 -7.722 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.287 -7.971 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.331 -9.255 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.169 -7.622 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.557 -6.834 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.409 -9.826 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.188 -8.641 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.992 -8.995 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.227 -8.140 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.129 -9.835 -7.566 1.00 0.00 H new ATOM 877 N VAL A 57 12.952 -4.883 -5.267 1.00 0.00 N ATOM 878 CA VAL A 57 11.853 -4.021 -4.870 1.00 0.00 C ATOM 879 C VAL A 57 12.095 -2.618 -5.425 1.00 0.00 C ATOM 880 O VAL A 57 11.210 -2.002 -6.028 1.00 0.00 O ATOM 881 CB VAL A 57 11.735 -3.995 -3.332 1.00 0.00 C ATOM 882 CG1 VAL A 57 10.743 -2.921 -2.893 1.00 0.00 C ATOM 883 CG2 VAL A 57 11.266 -5.365 -2.818 1.00 0.00 C ATOM 0 H VAL A 57 13.478 -5.285 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 57 10.915 -4.403 -5.273 1.00 0.00 H new ATOM 0 HB VAL A 57 12.715 -3.766 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.671 -2.915 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.086 -1.946 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.763 -3.134 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.185 -5.338 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.293 -5.601 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.987 -6.129 -3.109 1.00 0.00 H new ATOM 893 N MET A 58 13.321 -2.154 -5.289 1.00 0.00 N ATOM 894 CA MET A 58 13.724 -0.864 -5.830 1.00 0.00 C ATOM 895 C MET A 58 13.535 -0.860 -7.330 1.00 0.00 C ATOM 896 O MET A 58 13.057 0.112 -7.919 1.00 0.00 O ATOM 897 CB MET A 58 15.205 -0.636 -5.516 1.00 0.00 C ATOM 898 CG MET A 58 15.420 -0.615 -4.012 1.00 0.00 C ATOM 899 SD MET A 58 15.025 1.023 -3.376 1.00 0.00 S ATOM 900 CE MET A 58 16.609 1.771 -3.828 1.00 0.00 C ATOM 0 H MET A 58 14.065 -2.655 -4.804 1.00 0.00 H new ATOM 0 HA MET A 58 13.117 -0.076 -5.384 1.00 0.00 H new ATOM 0 HB2 MET A 58 15.807 -1.425 -5.967 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.537 0.306 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.791 -1.365 -3.533 1.00 0.00 H new ATOM 0 HG3 MET A 58 16.454 -0.869 -3.777 1.00 0.00 H new ATOM 0 HE1 MET A 58 17.168 2.014 -2.924 1.00 0.00 H new ATOM 0 HE2 MET A 58 17.184 1.069 -4.432 1.00 0.00 H new ATOM 0 HE3 MET A 58 16.431 2.681 -4.401 1.00 0.00 H new ATOM 910 N LYS A 59 13.908 -1.976 -7.937 1.00 0.00 N ATOM 911 CA LYS A 59 13.805 -2.164 -9.367 1.00 0.00 C ATOM 912 C LYS A 59 12.364 -2.130 -9.822 1.00 0.00 C ATOM 913 O LYS A 59 12.017 -1.405 -10.752 1.00 0.00 O ATOM 914 CB LYS A 59 14.463 -3.492 -9.745 1.00 0.00 C ATOM 915 CG LYS A 59 14.319 -3.776 -11.243 1.00 0.00 C ATOM 916 CD LYS A 59 15.040 -2.699 -12.053 1.00 0.00 C ATOM 917 CE LYS A 59 15.360 -3.230 -13.453 1.00 0.00 C ATOM 918 NZ LYS A 59 14.338 -4.228 -13.882 1.00 0.00 N ATOM 0 H LYS A 59 14.293 -2.781 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 59 14.321 -1.347 -9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.519 -3.467 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.009 -4.301 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.734 -4.757 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.264 -3.803 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.417 -1.808 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.959 -2.405 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.390 -2.404 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.349 -3.689 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.394 -4.362 -14.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.517 -5.135 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.390 -3.885 -13.629 1.00 0.00 H new ATOM 932 N GLU A 60 11.513 -2.853 -9.121 1.00 0.00 N ATOM 933 CA GLU A 60 10.107 -2.875 -9.468 1.00 0.00 C ATOM 934 C GLU A 60 9.558 -1.460 -9.439 1.00 0.00 C ATOM 935 O GLU A 60 8.888 -1.011 -10.386 1.00 0.00 O ATOM 936 CB GLU A 60 9.346 -3.748 -8.470 1.00 0.00 C ATOM 937 CG GLU A 60 9.754 -5.218 -8.647 1.00 0.00 C ATOM 938 CD GLU A 60 9.329 -5.726 -10.009 1.00 0.00 C ATOM 939 OE1 GLU A 60 8.167 -5.608 -10.327 1.00 0.00 O ATOM 940 OE2 GLU A 60 10.166 -6.227 -10.720 1.00 0.00 O ATOM 0 H GLU A 60 11.767 -3.427 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 60 9.985 -3.288 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.559 -3.422 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.272 -3.638 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.834 -5.318 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.296 -5.825 -7.867 1.00 0.00 H new ATOM 947 N LEU A 61 9.907 -0.734 -8.395 1.00 0.00 N ATOM 948 CA LEU A 61 9.546 0.668 -8.291 1.00 0.00 C ATOM 949 C LEU A 61 10.242 1.507 -9.341 1.00 0.00 C ATOM 950 O LEU A 61 9.667 2.464 -9.860 1.00 0.00 O ATOM 951 CB LEU A 61 9.842 1.218 -6.901 1.00 0.00 C ATOM 952 CG LEU A 61 8.681 0.908 -5.951 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.492 1.832 -6.250 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.241 -0.559 -6.073 1.00 0.00 C ATOM 0 H LEU A 61 10.442 -1.092 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 61 8.472 0.728 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.763 0.779 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.000 2.295 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 61 9.026 1.080 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.673 1.603 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.795 2.870 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.163 1.680 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.416 -0.750 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.917 -0.758 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.078 -1.212 -5.824 1.00 0.00 H new ATOM 966 N ASP A 62 11.514 1.218 -9.578 1.00 0.00 N ATOM 967 CA ASP A 62 12.315 2.042 -10.472 1.00 0.00 C ATOM 968 C ASP A 62 11.729 2.047 -11.861 1.00 0.00 C ATOM 969 O ASP A 62 11.757 3.070 -12.549 1.00 0.00 O ATOM 970 CB ASP A 62 13.772 1.576 -10.520 1.00 0.00 C ATOM 971 CG ASP A 62 14.619 2.646 -11.172 1.00 0.00 C ATOM 972 OD1 ASP A 62 14.668 3.743 -10.642 1.00 0.00 O ATOM 973 OD2 ASP A 62 15.214 2.369 -12.189 1.00 0.00 O ATOM 0 H ASP A 62 12.010 0.427 -9.168 1.00 0.00 H new ATOM 0 HA ASP A 62 12.300 3.057 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.134 1.374 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.849 0.644 -11.080 1.00 0.00 H new ATOM 978 N GLU A 63 11.204 0.908 -12.276 1.00 0.00 N ATOM 979 CA GLU A 63 10.606 0.791 -13.594 1.00 0.00 C ATOM 980 C GLU A 63 9.409 1.720 -13.687 1.00 0.00 C ATOM 981 O GLU A 63 9.329 2.564 -14.583 1.00 0.00 O ATOM 982 CB GLU A 63 10.158 -0.650 -13.813 1.00 0.00 C ATOM 983 CG GLU A 63 11.399 -1.541 -13.876 1.00 0.00 C ATOM 984 CD GLU A 63 11.024 -3.010 -13.960 1.00 0.00 C ATOM 985 OE1 GLU A 63 9.848 -3.328 -13.917 1.00 0.00 O ATOM 986 OE2 GLU A 63 11.927 -3.809 -14.066 1.00 0.00 O ATOM 0 H GLU A 63 11.179 0.053 -11.721 1.00 0.00 H new ATOM 0 HA GLU A 63 11.334 1.065 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.503 -0.970 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.586 -0.732 -14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.001 -1.268 -14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.015 -1.371 -12.993 1.00 0.00 H new ATOM 993 N ASN A 64 8.558 1.667 -12.673 1.00 0.00 N ATOM 994 CA ASN A 64 7.455 2.615 -12.571 1.00 0.00 C ATOM 995 C ASN A 64 7.995 4.006 -12.377 1.00 0.00 C ATOM 996 O ASN A 64 7.565 4.960 -13.033 1.00 0.00 O ATOM 997 CB ASN A 64 6.587 2.292 -11.363 1.00 0.00 C ATOM 998 CG ASN A 64 5.555 1.207 -11.661 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.163 0.989 -12.882 1.00 0.00 O flip ATOM 1000 ND2 ASN A 64 5.077 0.542 -10.740 1.00 0.00 N flip ATOM 0 H ASN A 64 8.607 0.986 -11.916 1.00 0.00 H new ATOM 0 HA ASN A 64 6.869 2.548 -13.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.222 1.969 -10.539 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.075 3.196 -11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.380 0.708 -9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.378 -0.174 -10.937 1.00 0.00 H new ATOM 1007 N GLY A 65 8.952 4.112 -11.478 1.00 0.00 N ATOM 1008 CA GLY A 65 9.556 5.376 -11.146 1.00 0.00 C ATOM 1009 C GLY A 65 10.498 5.799 -12.224 1.00 0.00 C ATOM 1010 O GLY A 65 11.650 6.129 -11.950 1.00 0.00 O ATOM 0 H GLY A 65 9.330 3.320 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.783 6.132 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.089 5.294 -10.199 1.00 0.00 H new ATOM 1014 N ASP A 66 10.004 5.835 -13.443 1.00 0.00 N ATOM 1015 CA ASP A 66 10.809 6.275 -14.555 1.00 0.00 C ATOM 1016 C ASP A 66 11.239 7.696 -14.300 1.00 0.00 C ATOM 1017 O ASP A 66 12.406 8.051 -14.487 1.00 0.00 O ATOM 1018 CB ASP A 66 10.010 6.205 -15.856 1.00 0.00 C ATOM 1019 CG ASP A 66 10.912 6.530 -17.022 1.00 0.00 C ATOM 1020 OD1 ASP A 66 11.856 5.803 -17.228 1.00 0.00 O ATOM 1021 OD2 ASP A 66 10.655 7.505 -17.693 1.00 0.00 O ATOM 0 H ASP A 66 9.051 5.565 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 66 11.680 5.627 -14.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.583 5.210 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.177 6.907 -15.821 1.00 0.00 H new ATOM 1026 N GLY A 67 10.321 8.466 -13.751 1.00 0.00 N ATOM 1027 CA GLY A 67 10.602 9.836 -13.341 1.00 0.00 C ATOM 1028 C GLY A 67 10.207 10.040 -11.895 1.00 0.00 C ATOM 1029 O GLY A 67 11.060 10.150 -11.014 1.00 0.00 O ATOM 0 H GLY A 67 9.362 8.166 -13.575 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.663 10.052 -13.470 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.056 10.533 -13.977 1.00 0.00 H new ATOM 1033 N GLU A 68 8.917 10.015 -11.651 1.00 0.00 N ATOM 1034 CA GLU A 68 8.366 10.139 -10.312 1.00 0.00 C ATOM 1035 C GLU A 68 7.775 8.824 -9.874 1.00 0.00 C ATOM 1036 O GLU A 68 7.437 7.986 -10.704 1.00 0.00 O ATOM 1037 CB GLU A 68 7.280 11.215 -10.295 1.00 0.00 C ATOM 1038 CG GLU A 68 7.928 12.601 -10.454 1.00 0.00 C ATOM 1039 CD GLU A 68 6.864 13.655 -10.665 1.00 0.00 C ATOM 1040 OE1 GLU A 68 6.020 13.446 -11.510 1.00 0.00 O ATOM 1041 OE2 GLU A 68 6.904 14.656 -9.988 1.00 0.00 O ATOM 0 H GLU A 68 8.211 9.907 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 68 9.166 10.420 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.568 11.040 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.721 11.168 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.515 12.840 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.616 12.594 -11.300 1.00 0.00 H new ATOM 1048 N VAL A 69 7.578 8.683 -8.592 1.00 0.00 N ATOM 1049 CA VAL A 69 6.942 7.518 -8.042 1.00 0.00 C ATOM 1050 C VAL A 69 5.691 7.966 -7.292 1.00 0.00 C ATOM 1051 O VAL A 69 5.708 8.995 -6.613 1.00 0.00 O ATOM 1052 CB VAL A 69 7.932 6.738 -7.137 1.00 0.00 C ATOM 1053 CG1 VAL A 69 8.670 7.689 -6.196 1.00 0.00 C ATOM 1054 CG2 VAL A 69 7.199 5.674 -6.320 1.00 0.00 C ATOM 0 H VAL A 69 7.855 9.376 -7.897 1.00 0.00 H new ATOM 0 HA VAL A 69 6.644 6.830 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 69 8.658 6.247 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.359 7.121 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.229 8.419 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.949 8.207 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.913 5.140 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.449 6.152 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.711 4.970 -6.994 1.00 0.00 H new ATOM 1064 N ASP A 70 4.575 7.319 -7.565 1.00 0.00 N ATOM 1065 CA ASP A 70 3.298 7.761 -7.007 1.00 0.00 C ATOM 1066 C ASP A 70 2.970 7.064 -5.699 1.00 0.00 C ATOM 1067 O ASP A 70 3.700 6.182 -5.246 1.00 0.00 O ATOM 1068 CB ASP A 70 2.163 7.620 -8.038 1.00 0.00 C ATOM 1069 CG ASP A 70 0.829 7.331 -7.379 1.00 0.00 C ATOM 1070 OD1 ASP A 70 0.181 8.268 -6.966 1.00 0.00 O ATOM 1071 OD2 ASP A 70 0.475 6.183 -7.287 1.00 0.00 O ATOM 0 H ASP A 70 4.519 6.494 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 70 3.397 8.821 -6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.088 8.537 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.404 6.818 -8.735 1.00 0.00 H new ATOM 1076 N PHE A 71 1.886 7.483 -5.088 1.00 0.00 N ATOM 1077 CA PHE A 71 1.470 6.933 -3.805 1.00 0.00 C ATOM 1078 C PHE A 71 1.212 5.439 -3.912 1.00 0.00 C ATOM 1079 O PHE A 71 1.691 4.655 -3.086 1.00 0.00 O ATOM 1080 CB PHE A 71 0.208 7.636 -3.285 1.00 0.00 C ATOM 1081 CG PHE A 71 -0.117 7.125 -1.899 1.00 0.00 C ATOM 1082 CD1 PHE A 71 0.761 7.395 -0.843 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -1.291 6.392 -1.665 1.00 0.00 C ATOM 1084 CE1 PHE A 71 0.475 6.938 0.444 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -1.576 5.933 -0.366 1.00 0.00 C ATOM 1086 CZ PHE A 71 -0.694 6.209 0.685 1.00 0.00 C ATOM 0 H PHE A 71 1.269 8.207 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 71 2.283 7.103 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.364 8.715 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.629 7.450 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.664 7.959 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.971 6.182 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.157 7.147 1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.477 5.367 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.916 5.859 1.682 1.00 0.00 H new ATOM 1096 N GLN A 72 0.506 5.043 -4.962 1.00 0.00 N ATOM 1097 CA GLN A 72 0.207 3.638 -5.192 1.00 0.00 C ATOM 1098 C GLN A 72 1.507 2.875 -5.346 1.00 0.00 C ATOM 1099 O GLN A 72 1.665 1.767 -4.836 1.00 0.00 O ATOM 1100 CB GLN A 72 -0.657 3.481 -6.453 1.00 0.00 C ATOM 1101 CG GLN A 72 -2.035 4.117 -6.209 1.00 0.00 C ATOM 1102 CD GLN A 72 -2.913 4.005 -7.453 1.00 0.00 C ATOM 1103 OE1 GLN A 72 -4.141 4.041 -7.348 1.00 0.00 O ATOM 1104 NE2 GLN A 72 -2.365 3.889 -8.625 1.00 0.00 N ATOM 0 H GLN A 72 0.130 5.676 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.349 3.238 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.169 3.958 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.770 2.426 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.524 3.625 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.913 5.166 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.349 3.859 -8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.951 3.828 -9.458 1.00 0.00 H new ATOM 1113 N GLU A 73 2.446 3.502 -6.010 1.00 0.00 N ATOM 1114 CA GLU A 73 3.772 2.952 -6.175 1.00 0.00 C ATOM 1115 C GLU A 73 4.530 2.971 -4.829 1.00 0.00 C ATOM 1116 O GLU A 73 5.153 1.987 -4.430 1.00 0.00 O ATOM 1117 CB GLU A 73 4.502 3.783 -7.222 1.00 0.00 C ATOM 1118 CG GLU A 73 3.824 3.574 -8.591 1.00 0.00 C ATOM 1119 CD GLU A 73 4.364 4.554 -9.621 1.00 0.00 C ATOM 1120 OE1 GLU A 73 5.085 5.446 -9.249 1.00 0.00 O ATOM 1121 OE2 GLU A 73 4.039 4.395 -10.777 1.00 0.00 O ATOM 0 H GLU A 73 2.314 4.411 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 73 3.714 1.915 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.480 4.838 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.550 3.489 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.992 2.553 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.746 3.703 -8.491 1.00 0.00 H new ATOM 1128 N TYR A 74 4.440 4.094 -4.121 1.00 0.00 N ATOM 1129 CA TYR A 74 5.112 4.249 -2.824 1.00 0.00 C ATOM 1130 C TYR A 74 4.622 3.230 -1.806 1.00 0.00 C ATOM 1131 O TYR A 74 5.426 2.585 -1.123 1.00 0.00 O ATOM 1132 CB TYR A 74 4.922 5.681 -2.291 1.00 0.00 C ATOM 1133 CG TYR A 74 5.442 5.797 -0.866 1.00 0.00 C ATOM 1134 CD1 TYR A 74 6.799 5.591 -0.587 1.00 0.00 C ATOM 1135 CD2 TYR A 74 4.559 6.122 0.176 1.00 0.00 C ATOM 1136 CE1 TYR A 74 7.268 5.706 0.728 1.00 0.00 C ATOM 1137 CE2 TYR A 74 5.031 6.239 1.487 1.00 0.00 C ATOM 1138 CZ TYR A 74 6.383 6.032 1.763 1.00 0.00 C ATOM 1139 OH TYR A 74 6.844 6.139 3.057 1.00 0.00 O ATOM 0 H TYR A 74 3.910 4.913 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 74 6.175 4.067 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.448 6.387 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.866 5.949 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.483 5.344 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.512 6.282 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.314 5.543 0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.349 6.490 2.286 1.00 0.00 H new ATOM 0 HH TYR A 74 6.538 6.985 3.445 1.00 0.00 H new ATOM 1149 N VAL A 75 3.313 3.089 -1.687 1.00 0.00 N ATOM 1150 CA VAL A 75 2.761 2.165 -0.707 1.00 0.00 C ATOM 1151 C VAL A 75 3.204 0.729 -0.978 1.00 0.00 C ATOM 1152 O VAL A 75 3.612 0.012 -0.058 1.00 0.00 O ATOM 1153 CB VAL A 75 1.232 2.262 -0.641 1.00 0.00 C ATOM 1154 CG1 VAL A 75 0.830 3.615 -0.043 1.00 0.00 C ATOM 1155 CG2 VAL A 75 0.643 2.139 -2.046 1.00 0.00 C ATOM 0 H VAL A 75 2.622 3.591 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 75 3.156 2.457 0.266 1.00 0.00 H new ATOM 0 HB VAL A 75 0.850 1.455 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.257 3.684 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.243 3.706 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.218 4.419 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.443 2.209 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.028 2.943 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.924 1.177 -2.475 1.00 0.00 H new ATOM 1165 N VAL A 76 3.176 0.312 -2.242 1.00 0.00 N ATOM 1166 CA VAL A 76 3.619 -1.022 -2.573 1.00 0.00 C ATOM 1167 C VAL A 76 5.111 -1.153 -2.320 1.00 0.00 C ATOM 1168 O VAL A 76 5.577 -2.193 -1.885 1.00 0.00 O ATOM 1169 CB VAL A 76 3.234 -1.428 -4.013 1.00 0.00 C ATOM 1170 CG1 VAL A 76 3.965 -0.565 -5.039 1.00 0.00 C ATOM 1171 CG2 VAL A 76 3.571 -2.906 -4.250 1.00 0.00 C ATOM 0 H VAL A 76 2.857 0.872 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 76 3.099 -1.723 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 76 2.161 -1.275 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.676 -0.872 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.700 0.482 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.041 -0.688 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.296 -3.183 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.640 -3.063 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.016 -3.523 -3.543 1.00 0.00 H new ATOM 1181 N LEU A 77 5.851 -0.073 -2.554 1.00 0.00 N ATOM 1182 CA LEU A 77 7.293 -0.086 -2.320 1.00 0.00 C ATOM 1183 C LEU A 77 7.589 -0.356 -0.862 1.00 0.00 C ATOM 1184 O LEU A 77 8.348 -1.272 -0.532 1.00 0.00 O ATOM 1185 CB LEU A 77 7.893 1.272 -2.722 1.00 0.00 C ATOM 1186 CG LEU A 77 9.408 1.340 -2.398 1.00 0.00 C ATOM 1187 CD1 LEU A 77 10.179 0.209 -3.080 1.00 0.00 C ATOM 1188 CD2 LEU A 77 9.972 2.689 -2.862 1.00 0.00 C ATOM 0 H LEU A 77 5.483 0.812 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 77 7.738 -0.878 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.740 1.438 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.371 2.072 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 77 9.526 1.232 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.237 0.288 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.796 -0.752 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.054 0.283 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.037 2.736 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.826 2.794 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.454 3.497 -2.345 1.00 0.00 H new ATOM 1200 N VAL A 78 6.921 0.366 0.015 1.00 0.00 N ATOM 1201 CA VAL A 78 7.087 0.117 1.426 1.00 0.00 C ATOM 1202 C VAL A 78 6.490 -1.231 1.798 1.00 0.00 C ATOM 1203 O VAL A 78 7.119 -2.036 2.494 1.00 0.00 O ATOM 1204 CB VAL A 78 6.516 1.268 2.279 1.00 0.00 C ATOM 1205 CG1 VAL A 78 7.169 2.589 1.852 1.00 0.00 C ATOM 1206 CG2 VAL A 78 5.008 1.386 2.080 1.00 0.00 C ATOM 0 H VAL A 78 6.271 1.115 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 78 8.154 0.078 1.645 1.00 0.00 H new ATOM 0 HB VAL A 78 6.726 1.059 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.767 3.405 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.247 2.526 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.957 2.776 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.623 2.203 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.794 1.585 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.528 0.454 2.378 1.00 0.00 H new ATOM 1216 N ALA A 79 5.315 -1.520 1.250 1.00 0.00 N ATOM 1217 CA ALA A 79 4.666 -2.796 1.495 1.00 0.00 C ATOM 1218 C ALA A 79 5.519 -3.929 0.988 1.00 0.00 C ATOM 1219 O ALA A 79 5.612 -4.976 1.629 1.00 0.00 O ATOM 1220 CB ALA A 79 3.308 -2.852 0.812 1.00 0.00 C ATOM 0 H ALA A 79 4.797 -0.890 0.637 1.00 0.00 H new ATOM 0 HA ALA A 79 4.530 -2.897 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.841 -3.817 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.673 -2.055 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.436 -2.724 -0.263 1.00 0.00 H new ATOM 1226 N ALA A 80 6.113 -3.730 -0.175 1.00 0.00 N ATOM 1227 CA ALA A 80 6.936 -4.745 -0.789 1.00 0.00 C ATOM 1228 C ALA A 80 8.056 -5.129 0.154 1.00 0.00 C ATOM 1229 O ALA A 80 8.196 -6.289 0.534 1.00 0.00 O ATOM 1230 CB ALA A 80 7.516 -4.235 -2.109 1.00 0.00 C ATOM 0 H ALA A 80 6.037 -2.867 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 80 6.321 -5.621 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.134 -5.012 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.703 -3.978 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.125 -3.351 -1.921 1.00 0.00 H new ATOM 1236 N LEU A 81 8.757 -4.121 0.652 1.00 0.00 N ATOM 1237 CA LEU A 81 9.780 -4.348 1.659 1.00 0.00 C ATOM 1238 C LEU A 81 9.142 -4.907 2.914 1.00 0.00 C ATOM 1239 O LEU A 81 9.669 -5.836 3.533 1.00 0.00 O ATOM 1240 CB LEU A 81 10.540 -3.056 1.985 1.00 0.00 C ATOM 1241 CG LEU A 81 11.382 -2.624 0.776 1.00 0.00 C ATOM 1242 CD1 LEU A 81 12.032 -1.270 1.059 1.00 0.00 C ATOM 1243 CD2 LEU A 81 12.471 -3.665 0.492 1.00 0.00 C ATOM 0 H LEU A 81 8.637 -3.146 0.377 1.00 0.00 H new ATOM 0 HA LEU A 81 10.498 -5.066 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.836 -2.267 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.184 -3.211 2.850 1.00 0.00 H new ATOM 0 HG LEU A 81 10.732 -2.542 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.629 -0.966 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.257 -0.526 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.674 -1.351 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.062 -3.348 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.119 -3.760 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.007 -4.628 0.278 1.00 0.00 H new ATOM 1255 N THR A 82 7.984 -4.369 3.266 1.00 0.00 N ATOM 1256 CA THR A 82 7.287 -4.842 4.440 1.00 0.00 C ATOM 1257 C THR A 82 6.970 -6.331 4.299 1.00 0.00 C ATOM 1258 O THR A 82 7.350 -7.122 5.156 1.00 0.00 O ATOM 1259 CB THR A 82 5.990 -4.039 4.657 1.00 0.00 C ATOM 1260 OG1 THR A 82 6.260 -2.642 4.600 1.00 0.00 O ATOM 1261 CG2 THR A 82 5.377 -4.378 6.018 1.00 0.00 C ATOM 0 H THR A 82 7.517 -3.616 2.761 1.00 0.00 H new ATOM 0 HA THR A 82 7.931 -4.700 5.308 1.00 0.00 H new ATOM 0 HB THR A 82 5.287 -4.305 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.662 -2.422 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.461 -3.803 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.147 -5.443 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.085 -4.130 6.808 1.00 0.00 H new ATOM 1269 N VAL A 83 6.372 -6.734 3.175 1.00 0.00 N ATOM 1270 CA VAL A 83 6.109 -8.152 2.963 1.00 0.00 C ATOM 1271 C VAL A 83 7.415 -8.919 2.842 1.00 0.00 C ATOM 1272 O VAL A 83 7.583 -9.972 3.463 1.00 0.00 O ATOM 1273 CB VAL A 83 5.169 -8.409 1.753 1.00 0.00 C ATOM 1274 CG1 VAL A 83 5.815 -7.979 0.440 1.00 0.00 C ATOM 1275 CG2 VAL A 83 4.790 -9.892 1.673 1.00 0.00 C ATOM 0 H VAL A 83 6.070 -6.117 2.421 1.00 0.00 H new ATOM 0 HA VAL A 83 5.575 -8.523 3.838 1.00 0.00 H new ATOM 0 HB VAL A 83 4.271 -7.811 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.129 -8.174 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.043 -6.914 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.736 -8.542 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.131 -10.054 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.692 -10.492 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.277 -10.186 2.588 1.00 0.00 H new ATOM 1285 N ALA A 84 8.366 -8.358 2.099 1.00 0.00 N ATOM 1286 CA ALA A 84 9.659 -9.003 1.938 1.00 0.00 C ATOM 1287 C ALA A 84 10.309 -9.234 3.290 1.00 0.00 C ATOM 1288 O ALA A 84 10.670 -10.365 3.628 1.00 0.00 O ATOM 1289 CB ALA A 84 10.583 -8.156 1.054 1.00 0.00 C ATOM 0 H ALA A 84 8.265 -7.470 1.607 1.00 0.00 H new ATOM 0 HA ALA A 84 9.498 -9.966 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.545 -8.658 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.129 -8.028 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.732 -7.179 1.515 1.00 0.00 H new ATOM 1295 N MET A 85 10.408 -8.178 4.091 1.00 0.00 N ATOM 1296 CA MET A 85 10.963 -8.316 5.430 1.00 0.00 C ATOM 1297 C MET A 85 10.027 -9.118 6.313 1.00 0.00 C ATOM 1298 O MET A 85 10.457 -10.004 7.046 1.00 0.00 O ATOM 1299 CB MET A 85 11.239 -6.957 6.076 1.00 0.00 C ATOM 1300 CG MET A 85 12.293 -7.124 7.184 1.00 0.00 C ATOM 1301 SD MET A 85 11.480 -7.206 8.801 1.00 0.00 S ATOM 1302 CE MET A 85 12.354 -8.662 9.435 1.00 0.00 C ATOM 0 H MET A 85 10.116 -7.233 3.841 1.00 0.00 H new ATOM 0 HA MET A 85 11.912 -8.843 5.331 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.593 -6.250 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.319 -6.546 6.492 1.00 0.00 H new ATOM 0 HG2 MET A 85 12.873 -8.031 7.012 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.993 -6.289 7.161 1.00 0.00 H new ATOM 0 HE1 MET A 85 11.722 -9.543 9.324 1.00 0.00 H new ATOM 0 HE2 MET A 85 13.277 -8.805 8.874 1.00 0.00 H new ATOM 0 HE3 MET A 85 12.590 -8.515 10.489 1.00 0.00 H new ATOM 1312 N ASN A 86 8.739 -8.825 6.230 1.00 0.00 N ATOM 1313 CA ASN A 86 7.772 -9.531 7.053 1.00 0.00 C ATOM 1314 C ASN A 86 7.759 -10.988 6.745 1.00 0.00 C ATOM 1315 O ASN A 86 7.610 -11.789 7.643 1.00 0.00 O ATOM 1316 CB ASN A 86 6.358 -8.924 7.030 1.00 0.00 C ATOM 1317 CG ASN A 86 6.317 -7.707 7.949 1.00 0.00 C ATOM 1318 OD1 ASN A 86 7.239 -7.488 8.729 1.00 0.00 O ATOM 1319 ND2 ASN A 86 5.301 -6.929 7.934 1.00 0.00 N ATOM 0 H ASN A 86 8.344 -8.116 5.612 1.00 0.00 H new ATOM 0 HA ASN A 86 8.113 -9.403 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.090 -8.636 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.627 -9.664 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.260 -6.131 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.532 -7.107 7.288 1.00 0.00 H new ATOM 1326 N ASN A 87 7.979 -11.339 5.479 1.00 0.00 N ATOM 1327 CA ASN A 87 8.032 -12.748 5.080 1.00 0.00 C ATOM 1328 C ASN A 87 8.880 -13.511 6.081 1.00 0.00 C ATOM 1329 O ASN A 87 8.509 -14.599 6.524 1.00 0.00 O ATOM 1330 CB ASN A 87 8.664 -12.877 3.687 1.00 0.00 C ATOM 1331 CG ASN A 87 8.730 -14.343 3.237 1.00 0.00 C ATOM 1332 OD1 ASN A 87 9.106 -14.616 2.089 1.00 0.00 O ATOM 1333 ND2 ASN A 87 8.401 -15.308 4.053 1.00 0.00 N ATOM 0 H ASN A 87 8.122 -10.676 4.717 1.00 0.00 H new ATOM 0 HA ASN A 87 7.021 -13.154 5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.084 -12.299 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.668 -12.453 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.455 -16.278 3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.090 -15.091 5.000 1.00 0.00 H new ATOM 1340 N PHE A 88 9.939 -12.871 6.529 1.00 0.00 N ATOM 1341 CA PHE A 88 10.778 -13.405 7.584 1.00 0.00 C ATOM 1342 C PHE A 88 9.976 -13.575 8.883 1.00 0.00 C ATOM 1343 O PHE A 88 10.071 -14.609 9.555 1.00 0.00 O ATOM 1344 CB PHE A 88 11.983 -12.480 7.800 1.00 0.00 C ATOM 1345 CG PHE A 88 12.850 -12.994 8.915 1.00 0.00 C ATOM 1346 CD1 PHE A 88 13.681 -14.098 8.710 1.00 0.00 C ATOM 1347 CD2 PHE A 88 12.825 -12.358 10.156 1.00 0.00 C ATOM 1348 CE1 PHE A 88 14.487 -14.565 9.752 1.00 0.00 C ATOM 1349 CE2 PHE A 88 13.628 -12.822 11.193 1.00 0.00 C ATOM 1350 CZ PHE A 88 14.462 -13.928 10.993 1.00 0.00 C ATOM 0 H PHE A 88 10.244 -11.965 6.173 1.00 0.00 H new ATOM 0 HA PHE A 88 11.139 -14.390 7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.565 -12.411 6.881 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.638 -11.473 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.701 -14.590 7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.182 -11.505 10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.129 -15.419 9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.608 -12.328 12.153 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.085 -14.288 11.798 1.00 0.00 H new ATOM 1360 N PHE A 89 9.195 -12.552 9.226 1.00 0.00 N ATOM 1361 CA PHE A 89 8.393 -12.542 10.456 1.00 0.00 C ATOM 1362 C PHE A 89 7.357 -13.659 10.520 1.00 0.00 C ATOM 1363 O PHE A 89 7.198 -14.281 11.556 1.00 0.00 O ATOM 1364 CB PHE A 89 7.687 -11.190 10.660 1.00 0.00 C ATOM 1365 CG PHE A 89 8.585 -10.222 11.410 1.00 0.00 C ATOM 1366 CD1 PHE A 89 9.039 -10.544 12.697 1.00 0.00 C ATOM 1367 CD2 PHE A 89 8.951 -8.999 10.830 1.00 0.00 C ATOM 1368 CE1 PHE A 89 9.854 -9.651 13.397 1.00 0.00 C ATOM 1369 CE2 PHE A 89 9.768 -8.108 11.532 1.00 0.00 C ATOM 1370 CZ PHE A 89 10.221 -8.433 12.816 1.00 0.00 C ATOM 0 H PHE A 89 9.098 -11.707 8.663 1.00 0.00 H new ATOM 0 HA PHE A 89 9.110 -12.711 11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.415 -10.767 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.760 -11.338 11.215 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.758 -11.484 13.148 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.601 -8.745 9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.201 -9.902 14.388 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.050 -7.167 11.083 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.853 -7.744 13.357 1.00 0.00 H new ATOM 1380 N TRP A 90 6.601 -13.879 9.453 1.00 0.00 N ATOM 1381 CA TRP A 90 5.548 -14.908 9.533 1.00 0.00 C ATOM 1382 C TRP A 90 6.206 -16.221 9.874 1.00 0.00 C ATOM 1383 O TRP A 90 5.750 -16.965 10.739 1.00 0.00 O ATOM 1384 CB TRP A 90 4.811 -15.104 8.191 1.00 0.00 C ATOM 1385 CG TRP A 90 4.595 -13.821 7.479 1.00 0.00 C ATOM 1386 CD1 TRP A 90 5.561 -13.124 6.902 1.00 0.00 C ATOM 1387 CD2 TRP A 90 3.366 -13.099 7.227 1.00 0.00 C ATOM 1388 NE1 TRP A 90 5.031 -11.995 6.315 1.00 0.00 N ATOM 1389 CE2 TRP A 90 3.674 -11.935 6.487 1.00 0.00 C ATOM 1390 CE3 TRP A 90 2.033 -13.330 7.565 1.00 0.00 C ATOM 1391 CZ2 TRP A 90 2.695 -11.032 6.099 1.00 0.00 C ATOM 1392 CZ3 TRP A 90 1.041 -12.424 7.175 1.00 0.00 C ATOM 1393 CH2 TRP A 90 1.372 -11.277 6.441 1.00 0.00 C ATOM 0 H TRP A 90 6.680 -13.392 8.560 1.00 0.00 H new ATOM 0 HA TRP A 90 4.825 -14.586 10.282 1.00 0.00 H new ATOM 0 HB2 TRP A 90 5.387 -15.777 7.557 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.849 -15.583 8.373 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.606 -13.398 6.893 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.579 -11.294 5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 90 1.766 -14.211 8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 2.959 -10.148 5.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 0.011 -12.610 7.442 1.00 0.00 H new ATOM 0 HH2 TRP A 90 0.599 -10.585 6.142 1.00 0.00 H new ATOM 1404 N GLU A 91 7.274 -16.500 9.157 1.00 0.00 N ATOM 1405 CA GLU A 91 8.018 -17.723 9.319 1.00 0.00 C ATOM 1406 C GLU A 91 8.767 -17.721 10.648 1.00 0.00 C ATOM 1407 O GLU A 91 8.642 -18.660 11.443 1.00 0.00 O ATOM 1408 CB GLU A 91 8.987 -17.846 8.156 1.00 0.00 C ATOM 1409 CG GLU A 91 8.162 -17.989 6.858 1.00 0.00 C ATOM 1410 CD GLU A 91 9.053 -18.040 5.629 1.00 0.00 C ATOM 1411 OE1 GLU A 91 10.250 -18.140 5.777 1.00 0.00 O ATOM 1412 OE2 GLU A 91 8.517 -17.976 4.544 1.00 0.00 O ATOM 0 H GLU A 91 7.650 -15.878 8.441 1.00 0.00 H new ATOM 0 HA GLU A 91 7.339 -18.576 9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.631 -16.968 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.637 -18.711 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.559 -18.896 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.471 -17.151 6.772 1.00 0.00 H new ATOM 1419 N ASN A 92 9.436 -16.609 10.944 1.00 0.00 N ATOM 1420 CA ASN A 92 10.100 -16.451 12.234 1.00 0.00 C ATOM 1421 C ASN A 92 9.207 -15.680 13.173 1.00 0.00 C ATOM 1422 O ASN A 92 9.144 -14.447 13.108 1.00 0.00 O ATOM 1423 CB ASN A 92 11.431 -15.707 12.084 1.00 0.00 C ATOM 1424 CG ASN A 92 12.111 -15.598 13.447 1.00 0.00 C ATOM 1425 OD1 ASN A 92 11.680 -16.237 14.413 1.00 0.00 O ATOM 1426 ND2 ASN A 92 13.132 -14.820 13.598 1.00 0.00 N ATOM 0 H ASN A 92 9.532 -15.812 10.315 1.00 0.00 H new ATOM 0 HA ASN A 92 10.300 -17.445 12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.078 -16.236 11.384 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.259 -14.713 11.671 1.00 0.00 H new ATOM 0 HD21 ASN A 92 13.578 -14.736 14.511 1.00 0.00 H new ATOM 0 HD22 ASN A 92 13.492 -14.290 12.804 1.00 0.00 H new ATOM 1433 N SER A 93 8.533 -16.401 14.049 1.00 0.00 N ATOM 1434 CA SER A 93 7.604 -15.817 14.999 1.00 0.00 C ATOM 1435 C SER A 93 6.905 -16.925 15.779 1.00 0.00 C ATOM 1436 O SER A 93 6.180 -16.612 16.691 1.00 0.00 O ATOM 1437 CB SER A 93 6.564 -14.963 14.258 1.00 0.00 C ATOM 1438 OG SER A 93 7.106 -13.670 14.011 1.00 0.00 O ATOM 1439 OXT SER A 93 7.106 -18.076 15.444 1.00 0.00 O ATOM 0 H SER A 93 8.615 -17.415 14.122 1.00 0.00 H new ATOM 0 HA SER A 93 8.154 -15.181 15.693 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.288 -15.440 13.317 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.654 -14.881 14.852 1.00 0.00 H new ATOM 0 HG SER A 93 7.605 -13.680 13.168 1.00 0.00 H new TER 1445 SER A 93 ATOM 1446 N GLY B 1 11.995 1.499 11.727 1.00 0.00 N ATOM 1447 CA GLY B 1 11.760 2.669 10.893 1.00 0.00 C ATOM 1448 C GLY B 1 10.755 3.603 11.532 1.00 0.00 C ATOM 1449 O GLY B 1 10.535 3.557 12.749 1.00 0.00 O ATOM 0 H1 GLY B 1 12.980 1.502 12.060 1.00 0.00 H new ATOM 0 H2 GLY B 1 11.353 1.521 12.545 1.00 0.00 H new ATOM 0 H3 GLY B 1 11.820 0.637 11.173 1.00 0.00 H new ATOM 0 HA2 GLY B 1 12.699 3.197 10.730 1.00 0.00 H new ATOM 0 HA3 GLY B 1 11.397 2.355 9.914 1.00 0.00 H new ATOM 1453 N SER B 2 10.115 4.409 10.712 1.00 0.00 N ATOM 1454 CA SER B 2 9.109 5.341 11.175 1.00 0.00 C ATOM 1455 C SER B 2 7.836 4.617 11.566 1.00 0.00 C ATOM 1456 O SER B 2 7.679 3.417 11.301 1.00 0.00 O ATOM 1457 CB SER B 2 8.801 6.357 10.084 1.00 0.00 C ATOM 1458 OG SER B 2 9.972 7.109 9.793 1.00 0.00 O ATOM 0 H SER B 2 10.277 4.437 9.705 1.00 0.00 H new ATOM 0 HA SER B 2 9.501 5.853 12.054 1.00 0.00 H new ATOM 0 HB2 SER B 2 8.450 5.848 9.186 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.000 7.022 10.407 1.00 0.00 H new ATOM 0 HG SER B 2 9.718 7.976 9.413 1.00 0.00 H new ATOM 1464 N GLU B 3 6.882 5.379 12.070 1.00 0.00 N ATOM 1465 CA GLU B 3 5.573 4.858 12.407 1.00 0.00 C ATOM 1466 C GLU B 3 4.989 4.185 11.186 1.00 0.00 C ATOM 1467 O GLU B 3 4.063 3.381 11.280 1.00 0.00 O ATOM 1468 CB GLU B 3 4.657 6.003 12.833 1.00 0.00 C ATOM 1469 CG GLU B 3 5.269 6.751 14.029 1.00 0.00 C ATOM 1470 CD GLU B 3 6.285 7.791 13.563 1.00 0.00 C ATOM 1471 OE1 GLU B 3 6.572 7.844 12.383 1.00 0.00 O ATOM 1472 OE2 GLU B 3 6.770 8.515 14.394 1.00 0.00 O ATOM 0 H GLU B 3 6.994 6.375 12.256 1.00 0.00 H new ATOM 0 HA GLU B 3 5.662 4.144 13.226 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.510 6.691 12.000 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.675 5.613 13.101 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.479 7.239 14.600 1.00 0.00 H new ATOM 0 HG3 GLU B 3 5.753 6.040 14.698 1.00 0.00 H new ATOM 1479 N LEU B 4 5.551 4.507 10.036 1.00 0.00 N ATOM 1480 CA LEU B 4 5.095 3.942 8.795 1.00 0.00 C ATOM 1481 C LEU B 4 5.265 2.444 8.840 1.00 0.00 C ATOM 1482 O LEU B 4 4.357 1.707 8.470 1.00 0.00 O ATOM 1483 CB LEU B 4 5.882 4.504 7.613 1.00 0.00 C ATOM 1484 CG LEU B 4 5.612 6.004 7.468 1.00 0.00 C ATOM 1485 CD1 LEU B 4 6.268 6.511 6.194 1.00 0.00 C ATOM 1486 CD2 LEU B 4 4.105 6.274 7.425 1.00 0.00 C ATOM 0 H LEU B 4 6.328 5.161 9.943 1.00 0.00 H new ATOM 0 HA LEU B 4 4.044 4.200 8.663 1.00 0.00 H new ATOM 0 HB2 LEU B 4 6.948 4.331 7.760 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.598 3.985 6.697 1.00 0.00 H new ATOM 0 HG LEU B 4 6.031 6.527 8.327 1.00 0.00 H new ATOM 0 HD11 LEU B 4 6.078 7.579 6.087 1.00 0.00 H new ATOM 0 HD12 LEU B 4 7.343 6.337 6.244 1.00 0.00 H new ATOM 0 HD13 LEU B 4 5.854 5.981 5.336 1.00 0.00 H new ATOM 0 HD21 LEU B 4 3.930 7.345 7.322 1.00 0.00 H new ATOM 0 HD22 LEU B 4 3.666 5.751 6.576 1.00 0.00 H new ATOM 0 HD23 LEU B 4 3.645 5.919 8.347 1.00 0.00 H new ATOM 1498 N GLU B 5 6.375 1.984 9.410 1.00 0.00 N ATOM 1499 CA GLU B 5 6.553 0.558 9.562 1.00 0.00 C ATOM 1500 C GLU B 5 5.442 0.016 10.445 1.00 0.00 C ATOM 1501 O GLU B 5 4.791 -0.966 10.100 1.00 0.00 O ATOM 1502 CB GLU B 5 7.910 0.217 10.183 1.00 0.00 C ATOM 1503 CG GLU B 5 9.055 0.562 9.224 1.00 0.00 C ATOM 1504 CD GLU B 5 10.386 0.082 9.802 1.00 0.00 C ATOM 1505 OE1 GLU B 5 10.394 -0.394 10.933 1.00 0.00 O ATOM 1506 OE2 GLU B 5 11.377 0.190 9.120 1.00 0.00 O ATOM 0 H GLU B 5 7.138 2.562 9.762 1.00 0.00 H new ATOM 0 HA GLU B 5 6.517 0.101 8.573 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.035 0.766 11.117 1.00 0.00 H new ATOM 0 HB3 GLU B 5 7.945 -0.844 10.430 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.881 0.095 8.255 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.089 1.639 9.058 1.00 0.00 H new ATOM 1513 N THR B 6 5.127 0.751 11.505 1.00 0.00 N ATOM 1514 CA THR B 6 4.012 0.393 12.360 1.00 0.00 C ATOM 1515 C THR B 6 2.719 0.436 11.541 1.00 0.00 C ATOM 1516 O THR B 6 1.914 -0.505 11.565 1.00 0.00 O ATOM 1517 CB THR B 6 3.926 1.365 13.545 1.00 0.00 C ATOM 1518 OG1 THR B 6 5.231 1.549 14.088 1.00 0.00 O ATOM 1519 CG2 THR B 6 3.015 0.775 14.629 1.00 0.00 C ATOM 0 H THR B 6 5.628 1.593 11.788 1.00 0.00 H new ATOM 0 HA THR B 6 4.158 -0.614 12.751 1.00 0.00 H new ATOM 0 HB THR B 6 3.521 2.319 13.206 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.186 2.170 14.845 1.00 0.00 H new ATOM 0 HG21 THR B 6 2.955 1.466 15.470 1.00 0.00 H new ATOM 0 HG22 THR B 6 2.018 0.615 14.219 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.424 -0.176 14.970 1.00 0.00 H new ATOM 1527 N ALA B 7 2.553 1.504 10.764 1.00 0.00 N ATOM 1528 CA ALA B 7 1.393 1.637 9.903 1.00 0.00 C ATOM 1529 C ALA B 7 1.330 0.463 8.934 1.00 0.00 C ATOM 1530 O ALA B 7 0.299 -0.206 8.821 1.00 0.00 O ATOM 1531 CB ALA B 7 1.453 2.963 9.132 1.00 0.00 C ATOM 0 H ALA B 7 3.208 2.285 10.717 1.00 0.00 H new ATOM 0 HA ALA B 7 0.493 1.635 10.518 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.577 3.050 8.490 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.470 3.794 9.838 1.00 0.00 H new ATOM 0 HB3 ALA B 7 2.355 2.988 8.521 1.00 0.00 H new ATOM 1537 N MET B 8 2.458 0.162 8.304 1.00 0.00 N ATOM 1538 CA MET B 8 2.535 -0.984 7.404 1.00 0.00 C ATOM 1539 C MET B 8 2.319 -2.275 8.167 1.00 0.00 C ATOM 1540 O MET B 8 1.531 -3.127 7.748 1.00 0.00 O ATOM 1541 CB MET B 8 3.888 -1.020 6.675 1.00 0.00 C ATOM 1542 CG MET B 8 4.046 0.234 5.808 1.00 0.00 C ATOM 1543 SD MET B 8 2.664 0.338 4.644 1.00 0.00 S ATOM 1544 CE MET B 8 3.049 -1.141 3.686 1.00 0.00 C ATOM 0 H MET B 8 3.326 0.690 8.397 1.00 0.00 H new ATOM 0 HA MET B 8 1.746 -0.880 6.659 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.700 -1.077 7.400 1.00 0.00 H new ATOM 0 HB3 MET B 8 3.953 -1.913 6.054 1.00 0.00 H new ATOM 0 HG2 MET B 8 4.074 1.124 6.437 1.00 0.00 H new ATOM 0 HG3 MET B 8 4.991 0.198 5.266 1.00 0.00 H new ATOM 0 HE1 MET B 8 2.904 -0.936 2.625 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.086 -1.428 3.861 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.390 -1.954 3.991 1.00 0.00 H new ATOM 1554 N GLU B 9 2.909 -2.366 9.342 1.00 0.00 N ATOM 1555 CA GLU B 9 2.679 -3.512 10.203 1.00 0.00 C ATOM 1556 C GLU B 9 1.203 -3.600 10.552 1.00 0.00 C ATOM 1557 O GLU B 9 0.621 -4.683 10.572 1.00 0.00 O ATOM 1558 CB GLU B 9 3.530 -3.419 11.476 1.00 0.00 C ATOM 1559 CG GLU B 9 4.970 -3.887 11.194 1.00 0.00 C ATOM 1560 CD GLU B 9 5.044 -5.401 11.221 1.00 0.00 C ATOM 1561 OE1 GLU B 9 4.444 -6.026 10.372 1.00 0.00 O ATOM 1562 OE2 GLU B 9 5.685 -5.922 12.105 1.00 0.00 O ATOM 0 H GLU B 9 3.547 -1.667 9.722 1.00 0.00 H new ATOM 0 HA GLU B 9 2.974 -4.416 9.671 1.00 0.00 H new ATOM 0 HB2 GLU B 9 3.539 -2.392 11.841 1.00 0.00 H new ATOM 0 HB3 GLU B 9 3.089 -4.032 12.262 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.296 -3.517 10.222 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.648 -3.469 11.938 1.00 0.00 H new ATOM 1569 N THR B 10 0.580 -2.454 10.747 1.00 0.00 N ATOM 1570 CA THR B 10 -0.845 -2.419 11.008 1.00 0.00 C ATOM 1571 C THR B 10 -1.575 -3.031 9.813 1.00 0.00 C ATOM 1572 O THR B 10 -2.421 -3.921 9.972 1.00 0.00 O ATOM 1573 CB THR B 10 -1.310 -0.974 11.259 1.00 0.00 C ATOM 1574 OG1 THR B 10 -0.417 -0.345 12.178 1.00 0.00 O ATOM 1575 CG2 THR B 10 -2.718 -0.982 11.865 1.00 0.00 C ATOM 0 H THR B 10 1.035 -1.541 10.730 1.00 0.00 H new ATOM 0 HA THR B 10 -1.073 -2.996 11.904 1.00 0.00 H new ATOM 0 HB THR B 10 -1.320 -0.431 10.314 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.396 -0.067 11.706 1.00 0.00 H new ATOM 0 HG21 THR B 10 -3.044 0.043 12.041 1.00 0.00 H new ATOM 0 HG22 THR B 10 -3.408 -1.469 11.176 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.705 -1.526 12.809 1.00 0.00 H new ATOM 1583 N LEU B 11 -1.148 -2.648 8.612 1.00 0.00 N ATOM 1584 CA LEU B 11 -1.689 -3.245 7.398 1.00 0.00 C ATOM 1585 C LEU B 11 -1.375 -4.735 7.373 1.00 0.00 C ATOM 1586 O LEU B 11 -2.235 -5.557 7.032 1.00 0.00 O ATOM 1587 CB LEU B 11 -1.090 -2.574 6.146 1.00 0.00 C ATOM 1588 CG LEU B 11 -1.600 -1.134 6.000 1.00 0.00 C ATOM 1589 CD1 LEU B 11 -0.765 -0.407 4.943 1.00 0.00 C ATOM 1590 CD2 LEU B 11 -3.066 -1.141 5.546 1.00 0.00 C ATOM 0 H LEU B 11 -0.436 -1.934 8.456 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.769 -3.096 7.393 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.002 -2.574 6.214 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.354 -3.149 5.259 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.516 -0.629 6.962 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.124 0.617 4.836 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.281 -0.394 5.251 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.856 -0.925 3.988 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.420 -0.115 5.445 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.147 -1.649 4.585 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.673 -1.663 6.285 1.00 0.00 H new ATOM 1602 N ILE B 12 -0.149 -5.086 7.756 1.00 0.00 N ATOM 1603 CA ILE B 12 0.265 -6.483 7.780 1.00 0.00 C ATOM 1604 C ILE B 12 -0.581 -7.242 8.777 1.00 0.00 C ATOM 1605 O ILE B 12 -1.062 -8.321 8.483 1.00 0.00 O ATOM 1606 CB ILE B 12 1.746 -6.591 8.185 1.00 0.00 C ATOM 1607 CG1 ILE B 12 2.634 -5.983 7.085 1.00 0.00 C ATOM 1608 CG2 ILE B 12 2.125 -8.075 8.402 1.00 0.00 C ATOM 1609 CD1 ILE B 12 2.772 -6.948 5.898 1.00 0.00 C ATOM 0 H ILE B 12 0.570 -4.425 8.052 1.00 0.00 H new ATOM 0 HA ILE B 12 0.135 -6.908 6.785 1.00 0.00 H new ATOM 0 HB ILE B 12 1.901 -6.043 9.114 1.00 0.00 H new ATOM 0 HG12 ILE B 12 2.205 -5.040 6.745 1.00 0.00 H new ATOM 0 HG13 ILE B 12 3.620 -5.756 7.491 1.00 0.00 H new ATOM 0 HG21 ILE B 12 3.174 -8.144 8.688 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.504 -8.497 9.192 1.00 0.00 H new ATOM 0 HG23 ILE B 12 1.964 -8.631 7.478 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.404 -6.496 5.133 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.223 -7.880 6.238 1.00 0.00 H new ATOM 0 HD13 ILE B 12 1.787 -7.153 5.480 1.00 0.00 H new ATOM 1621 N ASN B 13 -0.786 -6.658 9.950 1.00 0.00 N ATOM 1622 CA ASN B 13 -1.544 -7.328 10.998 1.00 0.00 C ATOM 1623 C ASN B 13 -2.954 -7.617 10.528 1.00 0.00 C ATOM 1624 O ASN B 13 -3.435 -8.742 10.642 1.00 0.00 O ATOM 1625 CB ASN B 13 -1.611 -6.442 12.250 1.00 0.00 C ATOM 1626 CG ASN B 13 -0.320 -6.534 13.051 1.00 0.00 C ATOM 1627 OD1 ASN B 13 -0.132 -7.478 13.821 1.00 0.00 O ATOM 1628 ND2 ASN B 13 0.589 -5.621 12.909 1.00 0.00 N ATOM 0 H ASN B 13 -0.442 -5.731 10.198 1.00 0.00 H new ATOM 0 HA ASN B 13 -1.041 -8.265 11.235 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -1.790 -5.407 11.959 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -2.452 -6.748 12.872 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.461 -5.683 13.435 1.00 0.00 H new ATOM 0 HD22 ASN B 13 0.432 -4.840 12.272 1.00 0.00 H new ATOM 1635 N VAL B 14 -3.582 -6.630 9.907 1.00 0.00 N ATOM 1636 CA VAL B 14 -4.912 -6.831 9.361 1.00 0.00 C ATOM 1637 C VAL B 14 -4.889 -7.863 8.253 1.00 0.00 C ATOM 1638 O VAL B 14 -5.651 -8.834 8.274 1.00 0.00 O ATOM 1639 CB VAL B 14 -5.482 -5.502 8.857 1.00 0.00 C ATOM 1640 CG1 VAL B 14 -6.709 -5.750 7.976 1.00 0.00 C ATOM 1641 CG2 VAL B 14 -5.897 -4.654 10.059 1.00 0.00 C ATOM 0 H VAL B 14 -3.198 -5.695 9.771 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.559 -7.207 10.153 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.721 -4.986 8.271 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -7.104 -4.796 7.625 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -6.425 -6.362 7.120 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -7.474 -6.268 8.555 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -6.305 -3.705 9.711 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -6.655 -5.185 10.635 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -5.028 -4.466 10.689 1.00 0.00 H new ATOM 1651 N PHE B 15 -3.969 -7.695 7.332 1.00 0.00 N ATOM 1652 CA PHE B 15 -3.813 -8.636 6.247 1.00 0.00 C ATOM 1653 C PHE B 15 -3.490 -10.008 6.814 1.00 0.00 C ATOM 1654 O PHE B 15 -4.112 -11.017 6.463 1.00 0.00 O ATOM 1655 CB PHE B 15 -2.671 -8.171 5.345 1.00 0.00 C ATOM 1656 CG PHE B 15 -2.517 -9.114 4.183 1.00 0.00 C ATOM 1657 CD1 PHE B 15 -3.227 -8.891 3.002 1.00 0.00 C ATOM 1658 CD2 PHE B 15 -1.663 -10.210 4.290 1.00 0.00 C ATOM 1659 CE1 PHE B 15 -3.079 -9.766 1.928 1.00 0.00 C ATOM 1660 CE2 PHE B 15 -1.518 -11.086 3.217 1.00 0.00 C ATOM 1661 CZ PHE B 15 -2.225 -10.863 2.037 1.00 0.00 C ATOM 0 H PHE B 15 -3.315 -6.913 7.312 1.00 0.00 H new ATOM 0 HA PHE B 15 -4.735 -8.693 5.669 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -2.871 -7.163 4.982 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -1.742 -8.127 5.914 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -3.890 -8.042 2.921 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -1.114 -10.380 5.204 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -3.625 -9.595 1.012 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -0.858 -11.937 3.299 1.00 0.00 H new ATOM 0 HZ PHE B 15 -2.111 -11.542 1.205 1.00 0.00 H new ATOM 1671 N HIS B 16 -2.544 -10.017 7.731 1.00 0.00 N ATOM 1672 CA HIS B 16 -2.079 -11.228 8.369 1.00 0.00 C ATOM 1673 C HIS B 16 -3.215 -11.929 9.064 1.00 0.00 C ATOM 1674 O HIS B 16 -3.339 -13.162 8.980 1.00 0.00 O ATOM 1675 CB HIS B 16 -0.976 -10.894 9.377 1.00 0.00 C ATOM 1676 CG HIS B 16 -0.315 -12.138 9.865 1.00 0.00 C ATOM 1677 ND1 HIS B 16 -0.813 -13.403 9.594 1.00 0.00 N ATOM 1678 CD2 HIS B 16 0.838 -12.327 10.574 1.00 0.00 C ATOM 1679 CE1 HIS B 16 0.044 -14.288 10.127 1.00 0.00 C ATOM 1680 NE2 HIS B 16 1.068 -13.685 10.740 1.00 0.00 N ATOM 0 H HIS B 16 -2.072 -9.173 8.057 1.00 0.00 H new ATOM 0 HA HIS B 16 -1.678 -11.893 7.604 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -0.237 -10.242 8.912 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -1.399 -10.347 10.219 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -1.670 -13.620 9.085 1.00 0.00 H new ATOM 0 HD2 HIS B 16 1.474 -11.538 10.948 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.079 -15.359 10.068 1.00 0.00 H new ATOM 1689 N ALA B 17 -4.030 -11.161 9.766 1.00 0.00 N ATOM 1690 CA ALA B 17 -5.145 -11.726 10.489 1.00 0.00 C ATOM 1691 C ALA B 17 -6.003 -12.542 9.547 1.00 0.00 C ATOM 1692 O ALA B 17 -6.273 -13.714 9.799 1.00 0.00 O ATOM 1693 CB ALA B 17 -5.988 -10.617 11.121 1.00 0.00 C ATOM 0 H ALA B 17 -3.937 -10.149 9.848 1.00 0.00 H new ATOM 0 HA ALA B 17 -4.759 -12.369 11.280 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.824 -11.059 11.662 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.372 -10.041 11.812 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -6.369 -9.959 10.340 1.00 0.00 H new ATOM 1699 N HIS B 18 -6.361 -11.946 8.423 1.00 0.00 N ATOM 1700 CA HIS B 18 -7.160 -12.636 7.422 1.00 0.00 C ATOM 1701 C HIS B 18 -6.381 -13.787 6.797 1.00 0.00 C ATOM 1702 O HIS B 18 -6.920 -14.890 6.629 1.00 0.00 O ATOM 1703 CB HIS B 18 -7.659 -11.665 6.362 1.00 0.00 C ATOM 1704 CG HIS B 18 -8.652 -10.715 6.984 1.00 0.00 C ATOM 1705 ND1 HIS B 18 -9.973 -11.076 7.245 1.00 0.00 N ATOM 1706 CD2 HIS B 18 -8.530 -9.419 7.414 1.00 0.00 C ATOM 1707 CE1 HIS B 18 -10.573 -10.012 7.807 1.00 0.00 C ATOM 1708 NE2 HIS B 18 -9.739 -8.978 7.934 1.00 0.00 N ATOM 0 H HIS B 18 -6.112 -10.987 8.180 1.00 0.00 H new ATOM 0 HA HIS B 18 -8.031 -13.061 7.920 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -6.822 -11.109 5.939 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.125 -12.212 5.542 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -10.404 -11.979 7.047 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -7.627 -8.829 7.357 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -11.607 -9.996 8.119 1.00 0.00 H new ATOM 1717 N SER B 19 -5.087 -13.582 6.555 1.00 0.00 N ATOM 1718 CA SER B 19 -4.254 -14.683 6.079 1.00 0.00 C ATOM 1719 C SER B 19 -4.310 -15.806 7.092 1.00 0.00 C ATOM 1720 O SER B 19 -4.490 -16.973 6.741 1.00 0.00 O ATOM 1721 CB SER B 19 -2.803 -14.238 5.890 1.00 0.00 C ATOM 1722 OG SER B 19 -2.763 -13.099 5.045 1.00 0.00 O ATOM 0 H SER B 19 -4.605 -12.692 6.676 1.00 0.00 H new ATOM 0 HA SER B 19 -4.632 -15.019 5.113 1.00 0.00 H new ATOM 0 HB2 SER B 19 -2.355 -14.003 6.856 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.217 -15.048 5.455 1.00 0.00 H new ATOM 0 HG SER B 19 -3.493 -13.150 4.393 1.00 0.00 H new ATOM 1728 N GLY B 20 -4.255 -15.429 8.357 1.00 0.00 N ATOM 1729 CA GLY B 20 -4.361 -16.380 9.441 1.00 0.00 C ATOM 1730 C GLY B 20 -5.702 -17.092 9.406 1.00 0.00 C ATOM 1731 O GLY B 20 -5.803 -18.264 9.790 1.00 0.00 O ATOM 0 H GLY B 20 -4.136 -14.461 8.657 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.555 -17.110 9.370 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.242 -15.866 10.395 1.00 0.00 H new ATOM 1735 N LYS B 21 -6.750 -16.381 8.987 1.00 0.00 N ATOM 1736 CA LYS B 21 -8.076 -16.986 8.946 1.00 0.00 C ATOM 1737 C LYS B 21 -8.115 -18.112 7.925 1.00 0.00 C ATOM 1738 O LYS B 21 -8.533 -19.229 8.243 1.00 0.00 O ATOM 1739 CB LYS B 21 -9.143 -15.949 8.558 1.00 0.00 C ATOM 1740 CG LYS B 21 -9.229 -14.824 9.593 1.00 0.00 C ATOM 1741 CD LYS B 21 -9.669 -15.371 10.951 1.00 0.00 C ATOM 1742 CE LYS B 21 -9.830 -14.200 11.928 1.00 0.00 C ATOM 1743 NZ LYS B 21 -11.219 -13.670 11.820 1.00 0.00 N ATOM 0 H LYS B 21 -6.707 -15.410 8.679 1.00 0.00 H new ATOM 0 HA LYS B 21 -8.287 -17.374 9.942 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -8.906 -15.529 7.580 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -10.113 -16.438 8.468 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -8.259 -14.336 9.689 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -9.935 -14.065 9.255 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -10.610 -15.912 10.853 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -8.932 -16.079 11.329 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -9.630 -14.529 12.948 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -9.108 -13.416 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -11.339 -12.875 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -11.391 -13.343 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -11.897 -14.422 12.058 1.00 0.00 H new ATOM 1757 N GLU B 22 -7.635 -17.829 6.713 1.00 0.00 N ATOM 1758 CA GLU B 22 -7.639 -18.836 5.641 1.00 0.00 C ATOM 1759 C GLU B 22 -6.576 -18.546 4.586 1.00 0.00 C ATOM 1760 O GLU B 22 -6.190 -19.440 3.832 1.00 0.00 O ATOM 1761 CB GLU B 22 -9.014 -18.878 4.939 1.00 0.00 C ATOM 1762 CG GLU B 22 -10.127 -19.228 5.939 1.00 0.00 C ATOM 1763 CD GLU B 22 -11.470 -19.309 5.234 1.00 0.00 C ATOM 1764 OE1 GLU B 22 -11.485 -19.426 4.029 1.00 0.00 O ATOM 1765 OE2 GLU B 22 -12.464 -19.231 5.904 1.00 0.00 O ATOM 0 H GLU B 22 -7.243 -16.926 6.447 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.423 -19.795 6.113 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -9.222 -17.912 4.480 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.995 -19.615 4.136 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -9.905 -20.180 6.421 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -10.167 -18.474 6.725 1.00 0.00 H new ATOM 1772 N GLY B 23 -6.256 -17.274 4.409 1.00 0.00 N ATOM 1773 CA GLY B 23 -5.392 -16.846 3.308 1.00 0.00 C ATOM 1774 C GLY B 23 -4.001 -17.474 3.371 1.00 0.00 C ATOM 1775 O GLY B 23 -3.009 -16.777 3.601 1.00 0.00 O ATOM 0 H GLY B 23 -6.579 -16.516 5.011 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.862 -17.108 2.360 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.297 -15.760 3.327 1.00 0.00 H new ATOM 1779 N ASP B 24 -3.946 -18.784 3.109 1.00 0.00 N ATOM 1780 CA ASP B 24 -2.699 -19.568 3.095 1.00 0.00 C ATOM 1781 C ASP B 24 -1.720 -19.096 4.170 1.00 0.00 C ATOM 1782 O ASP B 24 -2.141 -18.605 5.219 1.00 0.00 O ATOM 1783 CB ASP B 24 -2.047 -19.554 1.704 1.00 0.00 C ATOM 1784 CG ASP B 24 -1.011 -20.659 1.608 1.00 0.00 C ATOM 1785 OD1 ASP B 24 -1.386 -21.810 1.723 1.00 0.00 O ATOM 1786 OD2 ASP B 24 0.145 -20.342 1.441 1.00 0.00 O ATOM 0 H ASP B 24 -4.775 -19.340 2.898 1.00 0.00 H new ATOM 0 HA ASP B 24 -2.964 -20.599 3.329 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -2.808 -19.689 0.935 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -1.578 -18.587 1.522 1.00 0.00 H new ATOM 1791 N LYS B 25 -0.420 -19.324 3.963 1.00 0.00 N ATOM 1792 CA LYS B 25 0.560 -18.922 4.962 1.00 0.00 C ATOM 1793 C LYS B 25 0.534 -17.433 5.074 1.00 0.00 C ATOM 1794 O LYS B 25 0.351 -16.880 6.160 1.00 0.00 O ATOM 1795 CB LYS B 25 1.960 -19.353 4.553 1.00 0.00 C ATOM 1796 CG LYS B 25 1.938 -20.825 4.178 1.00 0.00 C ATOM 1797 CD LYS B 25 3.179 -21.547 4.722 1.00 0.00 C ATOM 1798 CE LYS B 25 4.464 -20.884 4.204 1.00 0.00 C ATOM 1799 NZ LYS B 25 5.271 -20.412 5.351 1.00 0.00 N ATOM 0 H LYS B 25 -0.034 -19.774 3.133 1.00 0.00 H new ATOM 0 HA LYS B 25 0.312 -19.394 5.912 1.00 0.00 H new ATOM 0 HB2 LYS B 25 2.306 -18.755 3.710 1.00 0.00 H new ATOM 0 HB3 LYS B 25 2.660 -19.184 5.372 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.037 -21.292 4.575 1.00 0.00 H new ATOM 0 HG3 LYS B 25 1.899 -20.928 3.094 1.00 0.00 H new ATOM 0 HD2 LYS B 25 3.168 -21.528 5.812 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.158 -22.594 4.421 1.00 0.00 H new ATOM 0 HE2 LYS B 25 5.038 -21.594 3.609 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.217 -20.047 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.645 -19.464 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.675 -20.372 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.061 -21.068 5.513 1.00 0.00 H new ATOM 1813 N TYR B 26 0.553 -16.787 3.923 1.00 0.00 N ATOM 1814 CA TYR B 26 0.377 -15.369 3.873 1.00 0.00 C ATOM 1815 C TYR B 26 -0.242 -14.954 2.544 1.00 0.00 C ATOM 1816 O TYR B 26 0.469 -14.615 1.590 1.00 0.00 O ATOM 1817 CB TYR B 26 1.709 -14.619 4.115 1.00 0.00 C ATOM 1818 CG TYR B 26 2.855 -15.604 4.257 1.00 0.00 C ATOM 1819 CD1 TYR B 26 3.553 -16.035 3.123 1.00 0.00 C ATOM 1820 CD2 TYR B 26 3.215 -16.088 5.522 1.00 0.00 C ATOM 1821 CE1 TYR B 26 4.608 -16.944 3.253 1.00 0.00 C ATOM 1822 CE2 TYR B 26 4.271 -16.996 5.647 1.00 0.00 C ATOM 1823 CZ TYR B 26 4.967 -17.421 4.514 1.00 0.00 C ATOM 1824 OH TYR B 26 6.007 -18.317 4.644 1.00 0.00 O ATOM 0 H TYR B 26 0.689 -17.233 3.016 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.305 -15.092 4.677 1.00 0.00 H new ATOM 0 HB2 TYR B 26 1.906 -13.939 3.286 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.632 -14.010 5.015 1.00 0.00 H new ATOM 0 HD1 TYR B 26 3.277 -15.665 2.147 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.677 -15.760 6.399 1.00 0.00 H new ATOM 0 HE1 TYR B 26 5.145 -17.277 2.377 1.00 0.00 H new ATOM 0 HE2 TYR B 26 4.549 -17.369 6.622 1.00 0.00 H new ATOM 0 HH TYR B 26 6.846 -17.885 4.378 1.00 0.00 H new ATOM 1834 N LYS B 27 -1.555 -14.858 2.542 1.00 0.00 N ATOM 1835 CA LYS B 27 -2.349 -14.362 1.418 1.00 0.00 C ATOM 1836 C LYS B 27 -3.697 -13.900 1.956 1.00 0.00 C ATOM 1837 O LYS B 27 -4.000 -14.110 3.131 1.00 0.00 O ATOM 1838 CB LYS B 27 -2.567 -15.438 0.323 1.00 0.00 C ATOM 1839 CG LYS B 27 -1.305 -15.655 -0.549 1.00 0.00 C ATOM 1840 CD LYS B 27 -1.007 -14.413 -1.438 1.00 0.00 C ATOM 1841 CE LYS B 27 -1.899 -14.415 -2.708 1.00 0.00 C ATOM 1842 NZ LYS B 27 -1.310 -13.522 -3.760 1.00 0.00 N ATOM 0 H LYS B 27 -2.125 -15.129 3.344 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.806 -13.541 0.951 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.847 -16.380 0.794 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -3.400 -15.141 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -0.448 -15.858 0.093 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.445 -16.532 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -1.182 -13.501 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS B 27 0.044 -14.411 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.992 -15.430 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.904 -14.077 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -1.385 -13.984 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.827 -12.620 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -0.309 -13.343 -3.542 1.00 0.00 H new ATOM 1856 N LEU B 28 -4.475 -13.227 1.133 1.00 0.00 N ATOM 1857 CA LEU B 28 -5.781 -12.739 1.549 1.00 0.00 C ATOM 1858 C LEU B 28 -6.869 -13.242 0.596 1.00 0.00 C ATOM 1859 O LEU B 28 -6.801 -13.006 -0.612 1.00 0.00 O ATOM 1860 CB LEU B 28 -5.747 -11.216 1.586 1.00 0.00 C ATOM 1861 CG LEU B 28 -7.123 -10.630 1.872 1.00 0.00 C ATOM 1862 CD1 LEU B 28 -7.533 -10.958 3.301 1.00 0.00 C ATOM 1863 CD2 LEU B 28 -7.047 -9.118 1.708 1.00 0.00 C ATOM 0 H LEU B 28 -4.228 -13.003 0.169 1.00 0.00 H new ATOM 0 HA LEU B 28 -6.017 -13.117 2.544 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -5.044 -10.886 2.351 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -5.381 -10.837 0.632 1.00 0.00 H new ATOM 0 HG LEU B 28 -7.856 -11.050 1.183 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -8.518 -10.537 3.503 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -7.567 -12.040 3.431 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -6.808 -10.532 3.994 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -8.025 -8.681 1.909 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -6.317 -8.712 2.408 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.745 -8.877 0.689 1.00 0.00 H new ATOM 1875 N SER B 29 -7.863 -13.926 1.139 1.00 0.00 N ATOM 1876 CA SER B 29 -8.956 -14.458 0.336 1.00 0.00 C ATOM 1877 C SER B 29 -9.979 -13.380 0.005 1.00 0.00 C ATOM 1878 O SER B 29 -10.095 -12.374 0.723 1.00 0.00 O ATOM 1879 CB SER B 29 -9.616 -15.627 1.073 1.00 0.00 C ATOM 1880 OG SER B 29 -9.869 -15.244 2.423 1.00 0.00 O ATOM 0 H SER B 29 -7.937 -14.127 2.136 1.00 0.00 H new ATOM 0 HA SER B 29 -8.547 -14.817 -0.609 1.00 0.00 H new ATOM 0 HB2 SER B 29 -10.548 -15.905 0.580 1.00 0.00 H new ATOM 0 HB3 SER B 29 -8.968 -16.503 1.046 1.00 0.00 H new ATOM 0 HG SER B 29 -9.101 -15.488 2.981 1.00 0.00 H new ATOM 1886 N LYS B 30 -10.781 -13.619 -1.027 1.00 0.00 N ATOM 1887 CA LYS B 30 -11.842 -12.683 -1.383 1.00 0.00 C ATOM 1888 C LYS B 30 -12.957 -12.812 -0.372 1.00 0.00 C ATOM 1889 O LYS B 30 -13.866 -11.982 -0.310 1.00 0.00 O ATOM 1890 CB LYS B 30 -12.408 -13.034 -2.766 1.00 0.00 C ATOM 1891 CG LYS B 30 -11.278 -13.317 -3.768 1.00 0.00 C ATOM 1892 CD LYS B 30 -10.296 -12.134 -3.812 1.00 0.00 C ATOM 1893 CE LYS B 30 -10.523 -11.306 -5.082 1.00 0.00 C ATOM 1894 NZ LYS B 30 -10.818 -12.202 -6.244 1.00 0.00 N ATOM 0 H LYS B 30 -10.719 -14.443 -1.626 1.00 0.00 H new ATOM 0 HA LYS B 30 -11.440 -11.670 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -13.056 -13.907 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -13.024 -12.212 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.750 -14.227 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -11.696 -13.488 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -10.431 -11.507 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -9.270 -12.502 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.351 -10.614 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.639 -10.704 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -10.376 -11.814 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.436 -13.151 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.847 -12.264 -6.382 1.00 0.00 H new ATOM 1908 N LYS B 31 -12.822 -13.817 0.460 1.00 0.00 N ATOM 1909 CA LYS B 31 -13.741 -14.083 1.539 1.00 0.00 C ATOM 1910 C LYS B 31 -13.628 -12.939 2.497 1.00 0.00 C ATOM 1911 O LYS B 31 -14.582 -12.534 3.163 1.00 0.00 O ATOM 1912 CB LYS B 31 -13.219 -15.304 2.272 1.00 0.00 C ATOM 1913 CG LYS B 31 -13.126 -16.473 1.312 1.00 0.00 C ATOM 1914 CD LYS B 31 -12.542 -17.660 2.042 1.00 0.00 C ATOM 1915 CE LYS B 31 -12.260 -18.765 1.044 1.00 0.00 C ATOM 1916 NZ LYS B 31 -12.140 -20.049 1.771 1.00 0.00 N ATOM 0 H LYS B 31 -12.054 -14.486 0.404 1.00 0.00 H new ATOM 0 HA LYS B 31 -14.760 -14.222 1.177 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.239 -15.093 2.699 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -13.881 -15.553 3.101 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.113 -16.719 0.921 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -12.501 -16.211 0.458 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -11.624 -17.372 2.554 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -13.236 -18.011 2.806 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -13.062 -18.822 0.308 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -11.341 -18.554 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -11.412 -20.638 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -11.872 -19.865 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -13.052 -20.548 1.747 1.00 0.00 H new ATOM 1930 N GLU B 32 -12.383 -12.580 2.696 1.00 0.00 N ATOM 1931 CA GLU B 32 -11.988 -11.644 3.692 1.00 0.00 C ATOM 1932 C GLU B 32 -11.752 -10.284 3.066 1.00 0.00 C ATOM 1933 O GLU B 32 -12.092 -9.263 3.644 1.00 0.00 O ATOM 1934 CB GLU B 32 -10.687 -12.144 4.318 1.00 0.00 C ATOM 1935 CG GLU B 32 -10.893 -13.560 4.892 1.00 0.00 C ATOM 1936 CD GLU B 32 -11.941 -13.544 5.981 1.00 0.00 C ATOM 1937 OE1 GLU B 32 -11.758 -12.823 6.933 1.00 0.00 O ATOM 1938 OE2 GLU B 32 -12.922 -14.246 5.837 1.00 0.00 O ATOM 0 H GLU B 32 -11.604 -12.947 2.149 1.00 0.00 H new ATOM 0 HA GLU B 32 -12.770 -11.550 4.446 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -9.894 -12.157 3.570 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -10.368 -11.464 5.108 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -11.197 -14.240 4.097 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -9.951 -13.937 5.291 1.00 0.00 H new ATOM 1945 N LEU B 33 -11.110 -10.277 1.905 1.00 0.00 N ATOM 1946 CA LEU B 33 -10.675 -9.030 1.280 1.00 0.00 C ATOM 1947 C LEU B 33 -11.847 -8.096 1.047 1.00 0.00 C ATOM 1948 O LEU B 33 -11.786 -6.913 1.401 1.00 0.00 O ATOM 1949 CB LEU B 33 -9.956 -9.343 -0.058 1.00 0.00 C ATOM 1950 CG LEU B 33 -9.511 -8.060 -0.817 1.00 0.00 C ATOM 1951 CD1 LEU B 33 -10.678 -7.471 -1.613 1.00 0.00 C ATOM 1952 CD2 LEU B 33 -8.940 -6.996 0.139 1.00 0.00 C ATOM 0 H LEU B 33 -10.878 -11.118 1.376 1.00 0.00 H new ATOM 0 HA LEU B 33 -9.981 -8.527 1.953 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -9.082 -9.964 0.141 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -10.622 -9.925 -0.696 1.00 0.00 H new ATOM 0 HG LEU B 33 -8.718 -8.353 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -10.346 -6.574 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -11.031 -8.205 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -11.490 -7.214 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -8.641 -6.117 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -9.701 -6.715 0.867 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -8.073 -7.402 0.659 1.00 0.00 H new ATOM 1964 N LYS B 34 -12.936 -8.626 0.520 1.00 0.00 N ATOM 1965 CA LYS B 34 -14.109 -7.802 0.287 1.00 0.00 C ATOM 1966 C LYS B 34 -14.663 -7.281 1.605 1.00 0.00 C ATOM 1967 O LYS B 34 -15.011 -6.106 1.728 1.00 0.00 O ATOM 1968 CB LYS B 34 -15.193 -8.606 -0.431 1.00 0.00 C ATOM 1969 CG LYS B 34 -14.753 -8.949 -1.858 1.00 0.00 C ATOM 1970 CD LYS B 34 -15.862 -9.773 -2.532 1.00 0.00 C ATOM 1971 CE LYS B 34 -15.429 -10.179 -3.944 1.00 0.00 C ATOM 1972 NZ LYS B 34 -15.402 -8.977 -4.819 1.00 0.00 N ATOM 0 H LYS B 34 -13.033 -9.605 0.249 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.811 -6.960 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.400 -9.522 0.122 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -16.120 -8.034 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.563 -8.037 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.821 -9.513 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -16.077 -10.662 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -16.782 -9.190 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.443 -10.643 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.118 -10.921 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.141 -9.257 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.343 -8.534 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.703 -8.298 -4.455 1.00 0.00 H new ATOM 1986 N GLU B 35 -14.730 -8.161 2.587 1.00 0.00 N ATOM 1987 CA GLU B 35 -15.243 -7.806 3.896 1.00 0.00 C ATOM 1988 C GLU B 35 -14.285 -6.863 4.605 1.00 0.00 C ATOM 1989 O GLU B 35 -14.684 -5.813 5.110 1.00 0.00 O ATOM 1990 CB GLU B 35 -15.424 -9.079 4.726 1.00 0.00 C ATOM 1991 CG GLU B 35 -16.538 -9.944 4.113 1.00 0.00 C ATOM 1992 CD GLU B 35 -17.879 -9.266 4.288 1.00 0.00 C ATOM 1993 OE1 GLU B 35 -18.231 -8.996 5.416 1.00 0.00 O ATOM 1994 OE2 GLU B 35 -18.550 -9.040 3.304 1.00 0.00 O ATOM 0 H GLU B 35 -14.433 -9.133 2.501 1.00 0.00 H new ATOM 0 HA GLU B 35 -16.202 -7.301 3.778 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -14.490 -9.640 4.757 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -15.675 -8.821 5.755 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -16.340 -10.108 3.054 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -16.552 -10.924 4.590 1.00 0.00 H new ATOM 2001 N LEU B 36 -13.024 -7.234 4.622 1.00 0.00 N ATOM 2002 CA LEU B 36 -11.999 -6.441 5.273 1.00 0.00 C ATOM 2003 C LEU B 36 -11.839 -5.070 4.642 1.00 0.00 C ATOM 2004 O LEU B 36 -11.745 -4.064 5.347 1.00 0.00 O ATOM 2005 CB LEU B 36 -10.658 -7.232 5.306 1.00 0.00 C ATOM 2006 CG LEU B 36 -9.484 -6.426 4.712 1.00 0.00 C ATOM 2007 CD1 LEU B 36 -9.046 -5.334 5.674 1.00 0.00 C ATOM 2008 CD2 LEU B 36 -8.309 -7.370 4.459 1.00 0.00 C ATOM 0 H LEU B 36 -12.679 -8.090 4.188 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.315 -6.257 6.300 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.425 -7.503 6.336 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.774 -8.162 4.750 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.808 -5.965 3.779 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.217 -4.776 5.238 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.880 -4.658 5.861 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.726 -5.784 6.614 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.475 -6.808 4.039 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.001 -7.828 5.399 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.612 -8.148 3.758 1.00 0.00 H new ATOM 2020 N LEU B 37 -11.776 -5.024 3.323 1.00 0.00 N ATOM 2021 CA LEU B 37 -11.501 -3.759 2.656 1.00 0.00 C ATOM 2022 C LEU B 37 -12.590 -2.732 2.946 1.00 0.00 C ATOM 2023 O LEU B 37 -12.300 -1.613 3.384 1.00 0.00 O ATOM 2024 CB LEU B 37 -11.313 -3.973 1.133 1.00 0.00 C ATOM 2025 CG LEU B 37 -10.985 -2.648 0.405 1.00 0.00 C ATOM 2026 CD1 LEU B 37 -12.265 -1.851 0.129 1.00 0.00 C ATOM 2027 CD2 LEU B 37 -10.019 -1.802 1.237 1.00 0.00 C ATOM 0 H LEU B 37 -11.907 -5.824 2.704 1.00 0.00 H new ATOM 0 HA LEU B 37 -10.568 -3.361 3.055 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -10.510 -4.690 0.963 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -12.221 -4.405 0.711 1.00 0.00 H new ATOM 0 HG LEU B 37 -10.511 -2.894 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -12.012 -0.923 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -12.933 -2.441 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -12.761 -1.621 1.072 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -9.800 -0.874 0.709 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -10.474 -1.572 2.201 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -9.094 -2.356 1.395 1.00 0.00 H new ATOM 2039 N GLN B 38 -13.838 -3.134 2.812 1.00 0.00 N ATOM 2040 CA GLN B 38 -14.933 -2.233 3.125 1.00 0.00 C ATOM 2041 C GLN B 38 -14.943 -1.915 4.607 1.00 0.00 C ATOM 2042 O GLN B 38 -15.177 -0.777 5.014 1.00 0.00 O ATOM 2043 CB GLN B 38 -16.279 -2.822 2.680 1.00 0.00 C ATOM 2044 CG GLN B 38 -16.577 -4.115 3.445 1.00 0.00 C ATOM 2045 CD GLN B 38 -17.748 -4.834 2.798 1.00 0.00 C ATOM 2046 OE1 GLN B 38 -18.906 -4.535 3.093 1.00 0.00 O ATOM 2047 NE2 GLN B 38 -17.521 -5.750 1.918 1.00 0.00 N ATOM 0 H GLN B 38 -14.118 -4.062 2.494 1.00 0.00 H new ATOM 0 HA GLN B 38 -14.782 -1.305 2.573 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -17.075 -2.098 2.854 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -16.259 -3.023 1.609 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -15.698 -4.759 3.446 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -16.807 -3.888 4.486 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -16.562 -5.997 1.674 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -18.301 -6.227 1.466 1.00 0.00 H new ATOM 2056 N THR B 39 -14.702 -2.930 5.410 1.00 0.00 N ATOM 2057 CA THR B 39 -14.691 -2.778 6.843 1.00 0.00 C ATOM 2058 C THR B 39 -13.576 -1.830 7.301 1.00 0.00 C ATOM 2059 O THR B 39 -13.819 -0.916 8.093 1.00 0.00 O ATOM 2060 CB THR B 39 -14.526 -4.160 7.486 1.00 0.00 C ATOM 2061 OG1 THR B 39 -15.618 -4.991 7.106 1.00 0.00 O ATOM 2062 CG2 THR B 39 -14.485 -4.040 8.998 1.00 0.00 C ATOM 0 H THR B 39 -14.509 -3.878 5.086 1.00 0.00 H new ATOM 0 HA THR B 39 -15.635 -2.334 7.158 1.00 0.00 H new ATOM 0 HB THR B 39 -13.589 -4.599 7.143 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.523 -5.246 6.165 1.00 0.00 H new ATOM 0 HG21 THR B 39 -14.368 -5.030 9.439 1.00 0.00 H new ATOM 0 HG22 THR B 39 -13.644 -3.411 9.290 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.414 -3.593 9.353 1.00 0.00 H new ATOM 2070 N GLU B 40 -12.353 -2.071 6.843 1.00 0.00 N ATOM 2071 CA GLU B 40 -11.226 -1.249 7.271 1.00 0.00 C ATOM 2072 C GLU B 40 -11.244 0.139 6.649 1.00 0.00 C ATOM 2073 O GLU B 40 -10.891 1.113 7.302 1.00 0.00 O ATOM 2074 CB GLU B 40 -9.895 -1.940 6.985 1.00 0.00 C ATOM 2075 CG GLU B 40 -9.775 -3.214 7.841 1.00 0.00 C ATOM 2076 CD GLU B 40 -9.768 -2.892 9.331 1.00 0.00 C ATOM 2077 OE1 GLU B 40 -9.487 -1.769 9.685 1.00 0.00 O ATOM 2078 OE2 GLU B 40 -10.041 -3.784 10.101 1.00 0.00 O ATOM 0 H GLU B 40 -12.118 -2.815 6.187 1.00 0.00 H new ATOM 0 HA GLU B 40 -11.332 -1.124 8.349 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -9.826 -2.194 5.927 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -9.069 -1.264 7.205 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.606 -3.883 7.617 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -8.859 -3.744 7.579 1.00 0.00 H new ATOM 2085 N LEU B 41 -11.584 0.212 5.368 1.00 0.00 N ATOM 2086 CA LEU B 41 -11.556 1.481 4.639 1.00 0.00 C ATOM 2087 C LEU B 41 -12.951 2.015 4.412 1.00 0.00 C ATOM 2088 O LEU B 41 -13.230 2.613 3.373 1.00 0.00 O ATOM 2089 CB LEU B 41 -10.835 1.326 3.292 1.00 0.00 C ATOM 2090 CG LEU B 41 -9.324 1.543 3.472 1.00 0.00 C ATOM 2091 CD1 LEU B 41 -8.718 0.384 4.267 1.00 0.00 C ATOM 2092 CD2 LEU B 41 -8.656 1.630 2.098 1.00 0.00 C ATOM 0 H LEU B 41 -11.882 -0.589 4.811 1.00 0.00 H new ATOM 0 HA LEU B 41 -11.007 2.194 5.254 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.021 0.333 2.884 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -11.230 2.045 2.575 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.158 2.471 4.019 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.647 0.547 4.389 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.191 0.329 5.248 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -8.884 -0.551 3.731 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -7.584 1.784 2.224 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -8.828 0.703 1.551 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.079 2.465 1.540 1.00 0.00 H new ATOM 2104 N SER B 42 -13.839 1.781 5.352 1.00 0.00 N ATOM 2105 CA SER B 42 -15.214 2.210 5.189 1.00 0.00 C ATOM 2106 C SER B 42 -15.278 3.692 4.820 1.00 0.00 C ATOM 2107 O SER B 42 -16.048 4.084 3.939 1.00 0.00 O ATOM 2108 CB SER B 42 -16.000 1.957 6.472 1.00 0.00 C ATOM 2109 OG SER B 42 -15.845 0.588 6.863 1.00 0.00 O ATOM 0 H SER B 42 -13.639 1.301 6.230 1.00 0.00 H new ATOM 0 HA SER B 42 -15.659 1.632 4.379 1.00 0.00 H new ATOM 0 HB2 SER B 42 -15.645 2.615 7.265 1.00 0.00 H new ATOM 0 HB3 SER B 42 -17.054 2.185 6.316 1.00 0.00 H new ATOM 0 HG SER B 42 -15.907 0.013 6.072 1.00 0.00 H new ATOM 2115 N GLY B 43 -14.444 4.498 5.451 1.00 0.00 N ATOM 2116 CA GLY B 43 -14.393 5.918 5.151 1.00 0.00 C ATOM 2117 C GLY B 43 -13.874 6.157 3.748 1.00 0.00 C ATOM 2118 O GLY B 43 -14.507 6.849 2.954 1.00 0.00 O ATOM 0 H GLY B 43 -13.792 4.194 6.175 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -15.388 6.351 5.253 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -13.750 6.423 5.872 1.00 0.00 H new ATOM 2122 N PHE B 44 -12.769 5.506 3.412 1.00 0.00 N ATOM 2123 CA PHE B 44 -12.208 5.616 2.068 1.00 0.00 C ATOM 2124 C PHE B 44 -13.145 5.012 1.053 1.00 0.00 C ATOM 2125 O PHE B 44 -13.418 5.606 0.008 1.00 0.00 O ATOM 2126 CB PHE B 44 -10.818 4.968 1.982 1.00 0.00 C ATOM 2127 CG PHE B 44 -9.776 5.912 2.543 1.00 0.00 C ATOM 2128 CD1 PHE B 44 -9.270 6.930 1.740 1.00 0.00 C ATOM 2129 CD2 PHE B 44 -9.314 5.763 3.848 1.00 0.00 C ATOM 2130 CE1 PHE B 44 -8.301 7.809 2.242 1.00 0.00 C ATOM 2131 CE2 PHE B 44 -8.343 6.640 4.354 1.00 0.00 C ATOM 2132 CZ PHE B 44 -7.838 7.663 3.550 1.00 0.00 C ATOM 0 H PHE B 44 -12.245 4.900 4.044 1.00 0.00 H new ATOM 0 HA PHE B 44 -12.089 6.676 1.843 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -10.809 4.030 2.538 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -10.583 4.727 0.945 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -9.625 7.043 0.726 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -9.703 4.972 4.471 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -7.913 8.599 1.617 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -7.986 6.523 5.367 1.00 0.00 H new ATOM 0 HZ PHE B 44 -7.091 8.339 3.939 1.00 0.00 H new ATOM 2142 N LEU B 45 -13.716 3.888 1.406 1.00 0.00 N ATOM 2143 CA LEU B 45 -14.696 3.242 0.568 1.00 0.00 C ATOM 2144 C LEU B 45 -15.882 4.140 0.347 1.00 0.00 C ATOM 2145 O LEU B 45 -16.214 4.444 -0.786 1.00 0.00 O ATOM 2146 CB LEU B 45 -15.120 1.923 1.244 1.00 0.00 C ATOM 2147 CG LEU B 45 -16.470 1.437 0.710 1.00 0.00 C ATOM 2148 CD1 LEU B 45 -16.444 1.309 -0.809 1.00 0.00 C ATOM 2149 CD2 LEU B 45 -16.810 0.086 1.333 1.00 0.00 C ATOM 0 H LEU B 45 -13.517 3.397 2.277 1.00 0.00 H new ATOM 0 HA LEU B 45 -14.265 3.030 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -14.361 1.161 1.069 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.183 2.068 2.322 1.00 0.00 H new ATOM 0 HG LEU B 45 -17.230 2.170 0.979 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -17.415 0.962 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -16.223 2.280 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -15.675 0.593 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -17.771 -0.259 0.952 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -16.037 -0.638 1.076 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -16.865 0.189 2.417 1.00 0.00 H new ATOM 2161 N ASP B 46 -16.430 4.669 1.416 1.00 0.00 N ATOM 2162 CA ASP B 46 -17.536 5.604 1.303 1.00 0.00 C ATOM 2163 C ASP B 46 -17.126 6.909 0.651 1.00 0.00 C ATOM 2164 O ASP B 46 -17.875 7.470 -0.155 1.00 0.00 O ATOM 2165 CB ASP B 46 -18.168 5.850 2.655 1.00 0.00 C ATOM 2166 CG ASP B 46 -19.225 6.927 2.547 1.00 0.00 C ATOM 2167 OD1 ASP B 46 -20.204 6.709 1.870 1.00 0.00 O ATOM 2168 OD2 ASP B 46 -19.046 7.957 3.150 1.00 0.00 O ATOM 0 H ASP B 46 -16.133 4.472 2.372 1.00 0.00 H new ATOM 0 HA ASP B 46 -18.278 5.145 0.649 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -18.614 4.929 3.030 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -17.404 6.150 3.373 1.00 0.00 H new ATOM 2173 N ALA B 47 -15.967 7.419 1.031 1.00 0.00 N ATOM 2174 CA ALA B 47 -15.502 8.707 0.534 1.00 0.00 C ATOM 2175 C ALA B 47 -15.443 8.730 -0.983 1.00 0.00 C ATOM 2176 O ALA B 47 -15.941 9.666 -1.618 1.00 0.00 O ATOM 2177 CB ALA B 47 -14.130 9.041 1.110 1.00 0.00 C ATOM 0 H ALA B 47 -15.329 6.962 1.682 1.00 0.00 H new ATOM 0 HA ALA B 47 -16.220 9.460 0.859 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -13.800 10.007 0.727 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -14.193 9.084 2.197 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -13.416 8.271 0.818 1.00 0.00 H new ATOM 2183 N GLN B 48 -14.848 7.699 -1.574 1.00 0.00 N ATOM 2184 CA GLN B 48 -14.749 7.626 -3.031 1.00 0.00 C ATOM 2185 C GLN B 48 -15.514 6.432 -3.597 1.00 0.00 C ATOM 2186 O GLN B 48 -15.179 5.925 -4.667 1.00 0.00 O ATOM 2187 CB GLN B 48 -13.276 7.627 -3.510 1.00 0.00 C ATOM 2188 CG GLN B 48 -12.405 6.733 -2.623 1.00 0.00 C ATOM 2189 CD GLN B 48 -12.600 5.273 -3.002 1.00 0.00 C ATOM 2190 OE1 GLN B 48 -12.171 4.849 -4.073 1.00 0.00 O ATOM 2191 NE2 GLN B 48 -13.230 4.483 -2.196 1.00 0.00 N ATOM 0 H GLN B 48 -14.432 6.912 -1.077 1.00 0.00 H new ATOM 0 HA GLN B 48 -15.220 8.528 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -13.226 7.279 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -12.887 8.645 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.356 7.009 -2.734 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.665 6.883 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -13.585 4.838 -1.308 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -13.372 3.505 -2.448 1.00 0.00 H new ATOM 2200 N LYS B 49 -16.563 6.013 -2.901 1.00 0.00 N ATOM 2201 CA LYS B 49 -17.367 4.886 -3.366 1.00 0.00 C ATOM 2202 C LYS B 49 -17.957 5.205 -4.733 1.00 0.00 C ATOM 2203 O LYS B 49 -17.951 4.375 -5.641 1.00 0.00 O ATOM 2204 CB LYS B 49 -18.527 4.609 -2.393 1.00 0.00 C ATOM 2205 CG LYS B 49 -19.260 3.356 -2.848 1.00 0.00 C ATOM 2206 CD LYS B 49 -20.477 3.119 -1.954 1.00 0.00 C ATOM 2207 CE LYS B 49 -21.219 1.881 -2.443 1.00 0.00 C ATOM 2208 NZ LYS B 49 -21.554 2.055 -3.886 1.00 0.00 N ATOM 0 H LYS B 49 -16.876 6.429 -2.024 1.00 0.00 H new ATOM 0 HA LYS B 49 -16.721 4.010 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -18.147 4.477 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -19.210 5.458 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -19.574 3.464 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -18.592 2.496 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -20.163 2.985 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -21.136 3.987 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -20.602 0.993 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -22.128 1.732 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -22.350 1.433 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -21.819 3.045 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -20.727 1.808 -4.467 1.00 0.00 H new ATOM 2222 N ASP B 50 -18.498 6.403 -4.856 1.00 0.00 N ATOM 2223 CA ASP B 50 -19.137 6.850 -6.094 1.00 0.00 C ATOM 2224 C ASP B 50 -18.127 7.030 -7.212 1.00 0.00 C ATOM 2225 O ASP B 50 -18.496 7.167 -8.380 1.00 0.00 O ATOM 2226 CB ASP B 50 -19.912 8.156 -5.875 1.00 0.00 C ATOM 2227 CG ASP B 50 -20.773 8.463 -7.084 1.00 0.00 C ATOM 2228 OD1 ASP B 50 -21.549 7.609 -7.467 1.00 0.00 O ATOM 2229 OD2 ASP B 50 -20.649 9.540 -7.621 1.00 0.00 O ATOM 0 H ASP B 50 -18.510 7.096 -4.108 1.00 0.00 H new ATOM 0 HA ASP B 50 -19.838 6.070 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -20.537 8.072 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -19.215 8.975 -5.698 1.00 0.00 H new ATOM 2234 N VAL B 51 -16.868 7.134 -6.848 1.00 0.00 N ATOM 2235 CA VAL B 51 -15.825 7.431 -7.810 1.00 0.00 C ATOM 2236 C VAL B 51 -15.643 6.305 -8.827 1.00 0.00 C ATOM 2237 O VAL B 51 -14.817 6.418 -9.727 1.00 0.00 O ATOM 2238 CB VAL B 51 -14.505 7.787 -7.093 1.00 0.00 C ATOM 2239 CG1 VAL B 51 -13.427 8.171 -8.115 1.00 0.00 C ATOM 2240 CG2 VAL B 51 -14.748 8.984 -6.162 1.00 0.00 C ATOM 0 H VAL B 51 -16.539 7.017 -5.890 1.00 0.00 H new ATOM 0 HA VAL B 51 -16.138 8.306 -8.379 1.00 0.00 H new ATOM 0 HB VAL B 51 -14.168 6.920 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -12.503 8.419 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -13.249 7.333 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -13.762 9.034 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -13.820 9.242 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -15.089 9.837 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -15.507 8.723 -5.425 1.00 0.00 H new ATOM 2250 N ASP B 52 -16.425 5.232 -8.698 1.00 0.00 N ATOM 2251 CA ASP B 52 -16.350 4.094 -9.633 1.00 0.00 C ATOM 2252 C ASP B 52 -14.988 3.420 -9.571 1.00 0.00 C ATOM 2253 O ASP B 52 -14.895 2.199 -9.481 1.00 0.00 O ATOM 2254 CB ASP B 52 -16.648 4.541 -11.077 1.00 0.00 C ATOM 2255 CG ASP B 52 -16.099 3.530 -12.066 1.00 0.00 C ATOM 2256 OD1 ASP B 52 -16.774 2.557 -12.331 1.00 0.00 O ATOM 2257 OD2 ASP B 52 -15.004 3.737 -12.543 1.00 0.00 O ATOM 0 H ASP B 52 -17.119 5.121 -7.958 1.00 0.00 H new ATOM 0 HA ASP B 52 -17.109 3.373 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -17.724 4.649 -11.217 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -16.203 5.519 -11.261 1.00 0.00 H new ATOM 2262 N ALA B 53 -13.939 4.225 -9.586 1.00 0.00 N ATOM 2263 CA ALA B 53 -12.580 3.721 -9.532 1.00 0.00 C ATOM 2264 C ALA B 53 -12.428 2.767 -8.366 1.00 0.00 C ATOM 2265 O ALA B 53 -11.613 1.845 -8.412 1.00 0.00 O ATOM 2266 CB ALA B 53 -11.586 4.875 -9.383 1.00 0.00 C ATOM 0 H ALA B 53 -14.006 5.242 -9.636 1.00 0.00 H new ATOM 0 HA ALA B 53 -12.370 3.193 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -10.571 4.479 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -11.680 5.548 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -11.798 5.421 -8.464 1.00 0.00 H new ATOM 2272 N VAL B 54 -13.261 2.951 -7.351 1.00 0.00 N ATOM 2273 CA VAL B 54 -13.239 2.065 -6.210 1.00 0.00 C ATOM 2274 C VAL B 54 -13.490 0.643 -6.686 1.00 0.00 C ATOM 2275 O VAL B 54 -12.713 -0.271 -6.380 1.00 0.00 O ATOM 2276 CB VAL B 54 -14.296 2.498 -5.160 1.00 0.00 C ATOM 2277 CG1 VAL B 54 -15.706 2.464 -5.766 1.00 0.00 C ATOM 2278 CG2 VAL B 54 -14.250 1.566 -3.936 1.00 0.00 C ATOM 0 H VAL B 54 -13.952 3.700 -7.300 1.00 0.00 H new ATOM 0 HA VAL B 54 -12.263 2.114 -5.727 1.00 0.00 H new ATOM 0 HB VAL B 54 -14.063 3.517 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -16.433 2.771 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -15.753 3.145 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -15.934 1.452 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -14.997 1.883 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -14.460 0.543 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -13.260 1.611 -3.482 1.00 0.00 H new ATOM 2288 N ASP B 55 -14.474 0.490 -7.567 1.00 0.00 N ATOM 2289 CA ASP B 55 -14.717 -0.799 -8.200 1.00 0.00 C ATOM 2290 C ASP B 55 -13.527 -1.188 -9.019 1.00 0.00 C ATOM 2291 O ASP B 55 -13.132 -2.346 -9.063 1.00 0.00 O ATOM 2292 CB ASP B 55 -15.915 -0.731 -9.147 1.00 0.00 C ATOM 2293 CG ASP B 55 -16.126 -2.092 -9.788 1.00 0.00 C ATOM 2294 OD1 ASP B 55 -16.419 -3.026 -9.073 1.00 0.00 O ATOM 2295 OD2 ASP B 55 -15.981 -2.186 -10.991 1.00 0.00 O ATOM 0 H ASP B 55 -15.109 1.234 -7.856 1.00 0.00 H new ATOM 0 HA ASP B 55 -14.910 -1.523 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -16.809 -0.431 -8.600 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -15.744 0.023 -9.915 1.00 0.00 H new ATOM 2300 N LYS B 56 -13.032 -0.230 -9.759 1.00 0.00 N ATOM 2301 CA LYS B 56 -11.995 -0.488 -10.725 1.00 0.00 C ATOM 2302 C LYS B 56 -10.741 -0.974 -10.022 1.00 0.00 C ATOM 2303 O LYS B 56 -10.135 -1.969 -10.427 1.00 0.00 O ATOM 2304 CB LYS B 56 -11.697 0.788 -11.504 1.00 0.00 C ATOM 2305 CG LYS B 56 -12.991 1.306 -12.163 1.00 0.00 C ATOM 2306 CD LYS B 56 -13.545 0.263 -13.133 1.00 0.00 C ATOM 2307 CE LYS B 56 -14.541 0.914 -14.110 1.00 0.00 C ATOM 2308 NZ LYS B 56 -14.187 2.343 -14.335 1.00 0.00 N ATOM 0 H LYS B 56 -13.333 0.743 -9.710 1.00 0.00 H new ATOM 0 HA LYS B 56 -12.330 -1.261 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -11.288 1.546 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -10.942 0.593 -12.266 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -13.733 1.531 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -12.790 2.236 -12.694 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -12.728 -0.196 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -14.039 -0.534 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -14.534 0.377 -15.059 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -15.553 0.842 -13.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -14.720 2.708 -15.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -14.426 2.897 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -13.167 2.422 -14.524 1.00 0.00 H new ATOM 2322 N VAL B 57 -10.394 -0.318 -8.933 1.00 0.00 N ATOM 2323 CA VAL B 57 -9.258 -0.741 -8.139 1.00 0.00 C ATOM 2324 C VAL B 57 -9.542 -2.120 -7.542 1.00 0.00 C ATOM 2325 O VAL B 57 -8.714 -3.035 -7.613 1.00 0.00 O ATOM 2326 CB VAL B 57 -8.987 0.278 -7.020 1.00 0.00 C ATOM 2327 CG1 VAL B 57 -7.830 -0.205 -6.148 1.00 0.00 C ATOM 2328 CG2 VAL B 57 -8.630 1.640 -7.629 1.00 0.00 C ATOM 0 H VAL B 57 -10.880 0.506 -8.579 1.00 0.00 H new ATOM 0 HA VAL B 57 -8.374 -0.800 -8.774 1.00 0.00 H new ATOM 0 HB VAL B 57 -9.884 0.379 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -7.643 0.521 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -8.086 -1.167 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -6.934 -0.314 -6.760 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -8.439 2.357 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -7.738 1.540 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -9.459 1.993 -8.243 1.00 0.00 H new ATOM 2338 N MET B 58 -10.735 -2.269 -6.985 1.00 0.00 N ATOM 2339 CA MET B 58 -11.153 -3.533 -6.398 1.00 0.00 C ATOM 2340 C MET B 58 -11.223 -4.633 -7.443 1.00 0.00 C ATOM 2341 O MET B 58 -10.980 -5.809 -7.145 1.00 0.00 O ATOM 2342 CB MET B 58 -12.491 -3.375 -5.634 1.00 0.00 C ATOM 2343 CG MET B 58 -13.671 -3.915 -6.459 1.00 0.00 C ATOM 2344 SD MET B 58 -14.117 -5.572 -5.881 1.00 0.00 S ATOM 2345 CE MET B 58 -15.204 -6.005 -7.264 1.00 0.00 C ATOM 0 H MET B 58 -11.433 -1.527 -6.927 1.00 0.00 H new ATOM 0 HA MET B 58 -10.397 -3.832 -5.672 1.00 0.00 H new ATOM 0 HB2 MET B 58 -12.435 -3.906 -4.684 1.00 0.00 H new ATOM 0 HB3 MET B 58 -12.658 -2.323 -5.402 1.00 0.00 H new ATOM 0 HG2 MET B 58 -14.527 -3.246 -6.368 1.00 0.00 H new ATOM 0 HG3 MET B 58 -13.403 -3.948 -7.515 1.00 0.00 H new ATOM 0 HE1 MET B 58 -15.601 -7.009 -7.114 1.00 0.00 H new ATOM 0 HE2 MET B 58 -16.028 -5.293 -7.316 1.00 0.00 H new ATOM 0 HE3 MET B 58 -14.638 -5.974 -8.195 1.00 0.00 H new ATOM 2355 N LYS B 59 -11.612 -4.256 -8.650 1.00 0.00 N ATOM 2356 CA LYS B 59 -11.807 -5.207 -9.725 1.00 0.00 C ATOM 2357 C LYS B 59 -10.532 -5.952 -9.986 1.00 0.00 C ATOM 2358 O LYS B 59 -10.529 -7.173 -10.118 1.00 0.00 O ATOM 2359 CB LYS B 59 -12.222 -4.479 -11.002 1.00 0.00 C ATOM 2360 CG LYS B 59 -12.870 -5.463 -11.973 1.00 0.00 C ATOM 2361 CD LYS B 59 -14.299 -5.780 -11.511 1.00 0.00 C ATOM 2362 CE LYS B 59 -15.295 -5.082 -12.441 1.00 0.00 C ATOM 2363 NZ LYS B 59 -14.903 -3.654 -12.615 1.00 0.00 N ATOM 0 H LYS B 59 -11.800 -3.287 -8.908 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.590 -5.906 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -12.920 -3.677 -10.763 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.351 -4.016 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -12.888 -5.040 -12.977 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -12.282 -6.379 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -14.467 -6.857 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -14.445 -5.444 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -15.317 -5.584 -13.408 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -16.301 -5.145 -12.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -15.519 -3.209 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -15.001 -3.154 -11.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -13.914 -3.602 -12.934 1.00 0.00 H new ATOM 2377 N GLU B 60 -9.440 -5.228 -10.007 1.00 0.00 N ATOM 2378 CA GLU B 60 -8.161 -5.851 -10.249 1.00 0.00 C ATOM 2379 C GLU B 60 -7.889 -6.874 -9.178 1.00 0.00 C ATOM 2380 O GLU B 60 -7.540 -8.023 -9.471 1.00 0.00 O ATOM 2381 CB GLU B 60 -7.056 -4.817 -10.235 1.00 0.00 C ATOM 2382 CG GLU B 60 -7.151 -3.910 -11.460 1.00 0.00 C ATOM 2383 CD GLU B 60 -6.044 -2.870 -11.432 1.00 0.00 C ATOM 2384 OE1 GLU B 60 -5.175 -2.958 -10.578 1.00 0.00 O ATOM 2385 OE2 GLU B 60 -6.061 -2.009 -12.274 1.00 0.00 O ATOM 0 H GLU B 60 -9.409 -4.219 -9.861 1.00 0.00 H new ATOM 0 HA GLU B 60 -8.188 -6.331 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -7.123 -4.218 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -6.086 -5.314 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -7.076 -4.506 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -8.123 -3.417 -11.481 1.00 0.00 H new ATOM 2392 N LEU B 61 -8.157 -6.495 -7.946 1.00 0.00 N ATOM 2393 CA LEU B 61 -8.048 -7.426 -6.849 1.00 0.00 C ATOM 2394 C LEU B 61 -9.041 -8.542 -7.047 1.00 0.00 C ATOM 2395 O LEU B 61 -8.721 -9.721 -6.860 1.00 0.00 O ATOM 2396 CB LEU B 61 -8.315 -6.723 -5.510 1.00 0.00 C ATOM 2397 CG LEU B 61 -7.042 -6.030 -4.995 1.00 0.00 C ATOM 2398 CD1 LEU B 61 -6.069 -7.073 -4.450 1.00 0.00 C ATOM 2399 CD2 LEU B 61 -6.363 -5.224 -6.109 1.00 0.00 C ATOM 0 H LEU B 61 -8.450 -5.554 -7.683 1.00 0.00 H new ATOM 0 HA LEU B 61 -7.036 -7.830 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -9.111 -5.988 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -8.662 -7.450 -4.775 1.00 0.00 H new ATOM 0 HG LEU B 61 -7.327 -5.343 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -5.169 -6.576 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -6.540 -7.616 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -5.803 -7.772 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -5.466 -4.745 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -6.090 -5.891 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -7.050 -4.462 -6.477 1.00 0.00 H new ATOM 2411 N ASP B 62 -10.246 -8.172 -7.454 1.00 0.00 N ATOM 2412 CA ASP B 62 -11.296 -9.143 -7.670 1.00 0.00 C ATOM 2413 C ASP B 62 -10.863 -10.137 -8.729 1.00 0.00 C ATOM 2414 O ASP B 62 -10.930 -11.349 -8.512 1.00 0.00 O ATOM 2415 CB ASP B 62 -12.594 -8.445 -8.102 1.00 0.00 C ATOM 2416 CG ASP B 62 -13.782 -9.360 -7.885 1.00 0.00 C ATOM 2417 OD1 ASP B 62 -14.079 -9.641 -6.742 1.00 0.00 O ATOM 2418 OD2 ASP B 62 -14.381 -9.767 -8.844 1.00 0.00 O ATOM 0 H ASP B 62 -10.516 -7.206 -7.640 1.00 0.00 H new ATOM 0 HA ASP B 62 -11.483 -9.672 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -12.727 -7.525 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -12.531 -8.163 -9.153 1.00 0.00 H new ATOM 2423 N GLU B 63 -10.333 -9.626 -9.833 1.00 0.00 N ATOM 2424 CA GLU B 63 -9.838 -10.476 -10.912 1.00 0.00 C ATOM 2425 C GLU B 63 -8.629 -11.263 -10.458 1.00 0.00 C ATOM 2426 O GLU B 63 -8.555 -12.477 -10.641 1.00 0.00 O ATOM 2427 CB GLU B 63 -9.412 -9.605 -12.091 1.00 0.00 C ATOM 2428 CG GLU B 63 -10.633 -8.926 -12.699 1.00 0.00 C ATOM 2429 CD GLU B 63 -10.219 -7.952 -13.786 1.00 0.00 C ATOM 2430 OE1 GLU B 63 -9.042 -7.872 -14.082 1.00 0.00 O ATOM 2431 OE2 GLU B 63 -11.083 -7.301 -14.317 1.00 0.00 O ATOM 0 H GLU B 63 -10.234 -8.626 -10.006 1.00 0.00 H new ATOM 0 HA GLU B 63 -10.637 -11.159 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -8.694 -8.854 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -8.911 -10.215 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -11.304 -9.678 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -11.186 -8.398 -11.922 1.00 0.00 H new ATOM 2438 N ASN B 64 -7.666 -10.556 -9.904 1.00 0.00 N ATOM 2439 CA ASN B 64 -6.412 -11.165 -9.492 1.00 0.00 C ATOM 2440 C ASN B 64 -6.629 -12.174 -8.403 1.00 0.00 C ATOM 2441 O ASN B 64 -6.048 -13.256 -8.422 1.00 0.00 O ATOM 2442 CB ASN B 64 -5.451 -10.101 -9.005 1.00 0.00 C ATOM 2443 CG ASN B 64 -4.782 -9.424 -10.189 1.00 0.00 C ATOM 2444 OD1 ASN B 64 -3.769 -9.906 -10.688 1.00 0.00 O ATOM 2445 ND2 ASN B 64 -5.300 -8.347 -10.687 1.00 0.00 N ATOM 0 H ASN B 64 -7.726 -9.553 -9.727 1.00 0.00 H new ATOM 0 HA ASN B 64 -5.990 -11.674 -10.358 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -5.986 -9.362 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -4.697 -10.549 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -4.867 -7.899 -11.494 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -6.142 -7.947 -10.272 1.00 0.00 H new ATOM 2452 N GLY B 65 -7.479 -11.835 -7.461 1.00 0.00 N ATOM 2453 CA GLY B 65 -7.762 -12.727 -6.361 1.00 0.00 C ATOM 2454 C GLY B 65 -8.513 -13.944 -6.841 1.00 0.00 C ATOM 2455 O GLY B 65 -9.576 -14.263 -6.310 1.00 0.00 O ATOM 0 H GLY B 65 -7.985 -10.950 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -6.830 -13.033 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -8.350 -12.206 -5.605 1.00 0.00 H new ATOM 2459 N ASP B 66 -7.953 -14.634 -7.827 1.00 0.00 N ATOM 2460 CA ASP B 66 -8.555 -15.858 -8.336 1.00 0.00 C ATOM 2461 C ASP B 66 -8.618 -16.850 -7.206 1.00 0.00 C ATOM 2462 O ASP B 66 -9.625 -17.526 -7.000 1.00 0.00 O ATOM 2463 CB ASP B 66 -7.711 -16.431 -9.478 1.00 0.00 C ATOM 2464 CG ASP B 66 -8.452 -17.561 -10.161 1.00 0.00 C ATOM 2465 OD1 ASP B 66 -9.497 -17.308 -10.718 1.00 0.00 O ATOM 2466 OD2 ASP B 66 -7.961 -18.666 -10.132 1.00 0.00 O ATOM 0 H ASP B 66 -7.084 -14.366 -8.289 1.00 0.00 H new ATOM 0 HA ASP B 66 -9.554 -15.650 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -7.483 -15.647 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -6.759 -16.793 -9.090 1.00 0.00 H new ATOM 2471 N GLY B 67 -7.585 -16.825 -6.397 1.00 0.00 N ATOM 2472 CA GLY B 67 -7.548 -17.599 -5.169 1.00 0.00 C ATOM 2473 C GLY B 67 -7.482 -16.653 -3.991 1.00 0.00 C ATOM 2474 O GLY B 67 -8.462 -16.472 -3.265 1.00 0.00 O ATOM 0 H GLY B 67 -6.746 -16.270 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -8.433 -18.230 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -6.683 -18.262 -5.168 1.00 0.00 H new ATOM 2478 N GLU B 68 -6.357 -15.970 -3.871 1.00 0.00 N ATOM 2479 CA GLU B 68 -6.175 -14.965 -2.844 1.00 0.00 C ATOM 2480 C GLU B 68 -5.467 -13.747 -3.400 1.00 0.00 C ATOM 2481 O GLU B 68 -4.786 -13.819 -4.429 1.00 0.00 O ATOM 2482 CB GLU B 68 -5.356 -15.511 -1.673 1.00 0.00 C ATOM 2483 CG GLU B 68 -6.130 -16.609 -0.936 1.00 0.00 C ATOM 2484 CD GLU B 68 -5.936 -17.943 -1.623 1.00 0.00 C ATOM 2485 OE1 GLU B 68 -4.802 -18.285 -1.909 1.00 0.00 O ATOM 2486 OE2 GLU B 68 -6.913 -18.612 -1.849 1.00 0.00 O ATOM 0 H GLU B 68 -5.549 -16.097 -4.480 1.00 0.00 H new ATOM 0 HA GLU B 68 -7.168 -14.686 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -4.410 -15.909 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -5.116 -14.703 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -5.789 -16.672 0.097 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -7.190 -16.358 -0.907 1.00 0.00 H new ATOM 2493 N VAL B 69 -5.515 -12.679 -2.641 1.00 0.00 N ATOM 2494 CA VAL B 69 -4.779 -11.471 -2.939 1.00 0.00 C ATOM 2495 C VAL B 69 -3.682 -11.305 -1.876 1.00 0.00 C ATOM 2496 O VAL B 69 -3.871 -11.731 -0.735 1.00 0.00 O ATOM 2497 CB VAL B 69 -5.748 -10.244 -3.016 1.00 0.00 C ATOM 2498 CG1 VAL B 69 -7.206 -10.692 -2.817 1.00 0.00 C ATOM 2499 CG2 VAL B 69 -5.412 -9.185 -1.966 1.00 0.00 C ATOM 0 H VAL B 69 -6.072 -12.622 -1.789 1.00 0.00 H new ATOM 0 HA VAL B 69 -4.302 -11.536 -3.917 1.00 0.00 H new ATOM 0 HB VAL B 69 -5.623 -9.806 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.864 -9.825 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -7.477 -11.405 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -7.311 -11.164 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.108 -8.351 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -5.493 -9.621 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -4.395 -8.826 -2.123 1.00 0.00 H new ATOM 2509 N ASP B 70 -2.490 -10.893 -2.282 1.00 0.00 N ATOM 2510 CA ASP B 70 -1.350 -10.849 -1.363 1.00 0.00 C ATOM 2511 C ASP B 70 -1.239 -9.483 -0.697 1.00 0.00 C ATOM 2512 O ASP B 70 -2.032 -8.583 -0.976 1.00 0.00 O ATOM 2513 CB ASP B 70 -0.034 -11.232 -2.085 1.00 0.00 C ATOM 2514 CG ASP B 70 0.890 -10.030 -2.230 1.00 0.00 C ATOM 2515 OD1 ASP B 70 0.677 -9.257 -3.123 1.00 0.00 O ATOM 2516 OD2 ASP B 70 1.806 -9.910 -1.436 1.00 0.00 O ATOM 0 H ASP B 70 -2.282 -10.586 -3.232 1.00 0.00 H new ATOM 0 HA ASP B 70 -1.522 -11.588 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP B 70 0.474 -12.018 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -0.263 -11.638 -3.070 1.00 0.00 H new ATOM 2521 N PHE B 71 -0.278 -9.341 0.199 1.00 0.00 N ATOM 2522 CA PHE B 71 -0.101 -8.091 0.922 1.00 0.00 C ATOM 2523 C PHE B 71 0.190 -6.971 -0.056 1.00 0.00 C ATOM 2524 O PHE B 71 -0.453 -5.915 -0.018 1.00 0.00 O ATOM 2525 CB PHE B 71 1.020 -8.200 1.961 1.00 0.00 C ATOM 2526 CG PHE B 71 1.049 -6.937 2.804 1.00 0.00 C ATOM 2527 CD1 PHE B 71 -0.018 -6.662 3.663 1.00 0.00 C ATOM 2528 CD2 PHE B 71 2.135 -6.051 2.739 1.00 0.00 C ATOM 2529 CE1 PHE B 71 -0.006 -5.514 4.453 1.00 0.00 C ATOM 2530 CE2 PHE B 71 2.144 -4.897 3.536 1.00 0.00 C ATOM 2531 CZ PHE B 71 1.076 -4.632 4.393 1.00 0.00 C ATOM 0 H PHE B 71 0.390 -10.072 0.444 1.00 0.00 H new ATOM 0 HA PHE B 71 -1.025 -7.871 1.457 1.00 0.00 H new ATOM 0 HB2 PHE B 71 0.859 -9.071 2.596 1.00 0.00 H new ATOM 0 HB3 PHE B 71 1.980 -8.341 1.464 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -0.856 -7.342 3.715 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.963 -6.257 2.076 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -0.835 -5.306 5.113 1.00 0.00 H new ATOM 0 HE2 PHE B 71 2.978 -4.213 3.486 1.00 0.00 H new ATOM 0 HZ PHE B 71 1.085 -3.746 5.010 1.00 0.00 H new ATOM 2541 N GLN B 72 1.080 -7.243 -1.007 1.00 0.00 N ATOM 2542 CA GLN B 72 1.363 -6.283 -2.057 1.00 0.00 C ATOM 2543 C GLN B 72 0.104 -5.992 -2.865 1.00 0.00 C ATOM 2544 O GLN B 72 -0.165 -4.838 -3.213 1.00 0.00 O ATOM 2545 CB GLN B 72 2.505 -6.760 -2.962 1.00 0.00 C ATOM 2546 CG GLN B 72 3.836 -6.608 -2.236 1.00 0.00 C ATOM 2547 CD GLN B 72 4.970 -7.078 -3.132 1.00 0.00 C ATOM 2548 OE1 GLN B 72 6.114 -6.699 -2.926 1.00 0.00 O ATOM 2549 NE2 GLN B 72 4.721 -7.880 -4.122 1.00 0.00 N ATOM 0 H GLN B 72 1.610 -8.112 -1.068 1.00 0.00 H new ATOM 0 HA GLN B 72 1.691 -5.356 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN B 72 2.349 -7.802 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN B 72 2.516 -6.181 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN B 72 3.990 -5.566 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN B 72 3.825 -7.188 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN B 72 3.767 -8.197 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN B 72 5.480 -8.194 -4.727 1.00 0.00 H new ATOM 2558 N GLU B 73 -0.696 -7.022 -3.111 1.00 0.00 N ATOM 2559 CA GLU B 73 -1.980 -6.833 -3.783 1.00 0.00 C ATOM 2560 C GLU B 73 -2.920 -6.021 -2.869 1.00 0.00 C ATOM 2561 O GLU B 73 -3.598 -5.089 -3.311 1.00 0.00 O ATOM 2562 CB GLU B 73 -2.625 -8.203 -4.091 1.00 0.00 C ATOM 2563 CG GLU B 73 -1.818 -8.952 -5.162 1.00 0.00 C ATOM 2564 CD GLU B 73 -2.428 -10.326 -5.416 1.00 0.00 C ATOM 2565 OE1 GLU B 73 -2.101 -11.255 -4.690 1.00 0.00 O ATOM 2566 OE2 GLU B 73 -3.207 -10.436 -6.332 1.00 0.00 O ATOM 0 H GLU B 73 -0.484 -7.987 -2.859 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.817 -6.297 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.674 -8.801 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.650 -8.060 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -1.804 -8.375 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -0.783 -9.060 -4.838 1.00 0.00 H new ATOM 2573 N TYR B 74 -2.950 -6.397 -1.597 1.00 0.00 N ATOM 2574 CA TYR B 74 -3.796 -5.744 -0.589 1.00 0.00 C ATOM 2575 C TYR B 74 -3.437 -4.274 -0.375 1.00 0.00 C ATOM 2576 O TYR B 74 -4.324 -3.416 -0.316 1.00 0.00 O ATOM 2577 CB TYR B 74 -3.727 -6.528 0.737 1.00 0.00 C ATOM 2578 CG TYR B 74 -4.413 -5.776 1.869 1.00 0.00 C ATOM 2579 CD1 TYR B 74 -5.779 -5.467 1.796 1.00 0.00 C ATOM 2580 CD2 TYR B 74 -3.675 -5.408 3.007 1.00 0.00 C ATOM 2581 CE1 TYR B 74 -6.400 -4.789 2.853 1.00 0.00 C ATOM 2582 CE2 TYR B 74 -4.300 -4.733 4.060 1.00 0.00 C ATOM 2583 CZ TYR B 74 -5.659 -4.423 3.982 1.00 0.00 C ATOM 2584 OH TYR B 74 -6.268 -3.755 5.017 1.00 0.00 O ATOM 0 H TYR B 74 -2.389 -7.165 -1.228 1.00 0.00 H new ATOM 0 HA TYR B 74 -4.819 -5.755 -0.964 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -4.198 -7.503 0.609 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -2.685 -6.710 0.999 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -6.352 -5.751 0.926 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -2.624 -5.647 3.068 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.451 -4.549 2.796 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -3.731 -4.451 4.934 1.00 0.00 H new ATOM 0 HH TYR B 74 -5.823 -3.982 5.860 1.00 0.00 H new ATOM 2594 N VAL B 75 -2.155 -3.987 -0.195 1.00 0.00 N ATOM 2595 CA VAL B 75 -1.745 -2.622 0.113 1.00 0.00 C ATOM 2596 C VAL B 75 -2.074 -1.644 -1.015 1.00 0.00 C ATOM 2597 O VAL B 75 -2.574 -0.544 -0.764 1.00 0.00 O ATOM 2598 CB VAL B 75 -0.267 -2.539 0.512 1.00 0.00 C ATOM 2599 CG1 VAL B 75 -0.066 -3.230 1.865 1.00 0.00 C ATOM 2600 CG2 VAL B 75 0.604 -3.222 -0.539 1.00 0.00 C ATOM 0 H VAL B 75 -1.395 -4.664 -0.255 1.00 0.00 H new ATOM 0 HA VAL B 75 -2.333 -2.317 0.979 1.00 0.00 H new ATOM 0 HB VAL B 75 0.022 -1.490 0.585 1.00 0.00 H new ATOM 0 HG11 VAL B 75 0.984 -3.172 2.151 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.675 -2.734 2.621 1.00 0.00 H new ATOM 0 HG13 VAL B 75 -0.364 -4.276 1.787 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.651 -3.156 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.317 -4.270 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.467 -2.729 -1.501 1.00 0.00 H new ATOM 2610 N VAL B 76 -1.838 -2.048 -2.257 1.00 0.00 N ATOM 2611 CA VAL B 76 -2.151 -1.181 -3.376 1.00 0.00 C ATOM 2612 C VAL B 76 -3.648 -0.928 -3.442 1.00 0.00 C ATOM 2613 O VAL B 76 -4.085 0.189 -3.720 1.00 0.00 O ATOM 2614 CB VAL B 76 -1.609 -1.745 -4.709 1.00 0.00 C ATOM 2615 CG1 VAL B 76 -2.243 -3.103 -5.021 1.00 0.00 C ATOM 2616 CG2 VAL B 76 -1.917 -0.766 -5.853 1.00 0.00 C ATOM 0 H VAL B 76 -1.439 -2.953 -2.508 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.650 -0.227 -3.215 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.531 -1.873 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.847 -3.481 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.010 -3.806 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.324 -2.990 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.533 -1.169 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.995 -0.627 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.442 0.193 -5.649 1.00 0.00 H new ATOM 2626 N LEU B 77 -4.433 -1.956 -3.132 1.00 0.00 N ATOM 2627 CA LEU B 77 -5.883 -1.826 -3.152 1.00 0.00 C ATOM 2628 C LEU B 77 -6.343 -0.773 -2.171 1.00 0.00 C ATOM 2629 O LEU B 77 -7.060 0.153 -2.543 1.00 0.00 O ATOM 2630 CB LEU B 77 -6.533 -3.177 -2.799 1.00 0.00 C ATOM 2631 CG LEU B 77 -8.068 -3.032 -2.664 1.00 0.00 C ATOM 2632 CD1 LEU B 77 -8.674 -2.488 -3.952 1.00 0.00 C ATOM 2633 CD2 LEU B 77 -8.690 -4.399 -2.351 1.00 0.00 C ATOM 0 H LEU B 77 -4.091 -2.880 -2.866 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.186 -1.523 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.299 -3.910 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.116 -3.553 -1.865 1.00 0.00 H new ATOM 0 HG LEU B 77 -8.278 -2.334 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -9.754 -2.394 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -8.246 -1.510 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.456 -3.171 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.771 -4.294 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -8.462 -5.096 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -8.279 -4.780 -1.416 1.00 0.00 H new ATOM 2645 N VAL B 78 -5.859 -0.849 -0.951 1.00 0.00 N ATOM 2646 CA VAL B 78 -6.214 0.161 0.019 1.00 0.00 C ATOM 2647 C VAL B 78 -5.610 1.503 -0.364 1.00 0.00 C ATOM 2648 O VAL B 78 -6.283 2.538 -0.325 1.00 0.00 O ATOM 2649 CB VAL B 78 -5.826 -0.265 1.450 1.00 0.00 C ATOM 2650 CG1 VAL B 78 -6.459 -1.625 1.765 1.00 0.00 C ATOM 2651 CG2 VAL B 78 -4.309 -0.386 1.579 1.00 0.00 C ATOM 0 H VAL B 78 -5.234 -1.581 -0.613 1.00 0.00 H new ATOM 0 HA VAL B 78 -7.298 0.273 0.014 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.186 0.491 2.148 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.186 -1.928 2.776 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.544 -1.548 1.690 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.098 -2.368 1.054 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -4.053 -0.687 2.595 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -3.943 -1.134 0.876 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -3.847 0.576 1.359 1.00 0.00 H new ATOM 2661 N ALA B 79 -4.354 1.478 -0.784 1.00 0.00 N ATOM 2662 CA ALA B 79 -3.662 2.696 -1.171 1.00 0.00 C ATOM 2663 C ALA B 79 -4.302 3.350 -2.371 1.00 0.00 C ATOM 2664 O ALA B 79 -4.476 4.566 -2.397 1.00 0.00 O ATOM 2665 CB ALA B 79 -2.201 2.415 -1.460 1.00 0.00 C ATOM 0 H ALA B 79 -3.795 0.629 -0.865 1.00 0.00 H new ATOM 0 HA ALA B 79 -3.736 3.386 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -1.702 3.341 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -1.725 2.009 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -2.123 1.693 -2.273 1.00 0.00 H new ATOM 2671 N ALA B 80 -4.651 2.557 -3.367 1.00 0.00 N ATOM 2672 CA ALA B 80 -5.269 3.107 -4.556 1.00 0.00 C ATOM 2673 C ALA B 80 -6.582 3.761 -4.192 1.00 0.00 C ATOM 2674 O ALA B 80 -6.865 4.892 -4.594 1.00 0.00 O ATOM 2675 CB ALA B 80 -5.491 2.020 -5.601 1.00 0.00 C ATOM 0 H ALA B 80 -4.519 1.546 -3.377 1.00 0.00 H new ATOM 0 HA ALA B 80 -4.602 3.856 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.956 2.455 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -4.533 1.578 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.143 1.249 -5.191 1.00 0.00 H new ATOM 2681 N LEU B 81 -7.334 3.095 -3.339 1.00 0.00 N ATOM 2682 CA LEU B 81 -8.564 3.660 -2.825 1.00 0.00 C ATOM 2683 C LEU B 81 -8.233 4.898 -2.015 1.00 0.00 C ATOM 2684 O LEU B 81 -8.880 5.944 -2.146 1.00 0.00 O ATOM 2685 CB LEU B 81 -9.288 2.634 -1.957 1.00 0.00 C ATOM 2686 CG LEU B 81 -9.742 1.461 -2.838 1.00 0.00 C ATOM 2687 CD1 LEU B 81 -10.349 0.360 -1.970 1.00 0.00 C ATOM 2688 CD2 LEU B 81 -10.777 1.938 -3.855 1.00 0.00 C ATOM 0 H LEU B 81 -7.115 2.163 -2.988 1.00 0.00 H new ATOM 0 HA LEU B 81 -9.220 3.932 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.627 2.277 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.148 3.093 -1.470 1.00 0.00 H new ATOM 0 HG LEU B 81 -8.875 1.066 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -10.668 -0.468 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -9.604 0.006 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -11.209 0.756 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.092 1.098 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -11.641 2.346 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.338 2.710 -4.487 1.00 0.00 H new ATOM 2700 N THR B 82 -7.163 4.801 -1.240 1.00 0.00 N ATOM 2701 CA THR B 82 -6.691 5.930 -0.472 1.00 0.00 C ATOM 2702 C THR B 82 -6.308 7.065 -1.414 1.00 0.00 C ATOM 2703 O THR B 82 -6.766 8.193 -1.251 1.00 0.00 O ATOM 2704 CB THR B 82 -5.475 5.521 0.385 1.00 0.00 C ATOM 2705 OG1 THR B 82 -5.770 4.332 1.108 1.00 0.00 O ATOM 2706 CG2 THR B 82 -5.117 6.640 1.373 1.00 0.00 C ATOM 0 H THR B 82 -6.610 3.951 -1.130 1.00 0.00 H new ATOM 0 HA THR B 82 -7.487 6.267 0.192 1.00 0.00 H new ATOM 0 HB THR B 82 -4.628 5.345 -0.278 1.00 0.00 H new ATOM 0 HG1 THR B 82 -5.870 3.585 0.482 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.257 6.337 1.970 1.00 0.00 H new ATOM 0 HG22 THR B 82 -4.873 7.548 0.822 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.966 6.831 2.030 1.00 0.00 H new ATOM 2714 N VAL B 83 -5.521 6.750 -2.435 1.00 0.00 N ATOM 2715 CA VAL B 83 -5.103 7.757 -3.392 1.00 0.00 C ATOM 2716 C VAL B 83 -6.317 8.314 -4.131 1.00 0.00 C ATOM 2717 O VAL B 83 -6.440 9.529 -4.309 1.00 0.00 O ATOM 2718 CB VAL B 83 -4.016 7.199 -4.360 1.00 0.00 C ATOM 2719 CG1 VAL B 83 -4.613 6.695 -5.671 1.00 0.00 C ATOM 2720 CG2 VAL B 83 -2.962 8.268 -4.657 1.00 0.00 C ATOM 0 H VAL B 83 -5.164 5.812 -2.618 1.00 0.00 H new ATOM 0 HA VAL B 83 -4.638 8.584 -2.856 1.00 0.00 H new ATOM 0 HB VAL B 83 -3.550 6.352 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL B 83 -3.817 6.316 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL B 83 -5.323 5.895 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL B 83 -5.126 7.514 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL B 83 -2.211 7.861 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL B 83 -3.440 9.131 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL B 83 -2.483 8.575 -3.727 1.00 0.00 H new ATOM 2730 N ALA B 84 -7.253 7.435 -4.485 1.00 0.00 N ATOM 2731 CA ALA B 84 -8.475 7.877 -5.146 1.00 0.00 C ATOM 2732 C ALA B 84 -9.170 8.926 -4.296 1.00 0.00 C ATOM 2733 O ALA B 84 -9.429 10.039 -4.758 1.00 0.00 O ATOM 2734 CB ALA B 84 -9.422 6.692 -5.385 1.00 0.00 C ATOM 0 H ALA B 84 -7.190 6.429 -4.328 1.00 0.00 H new ATOM 0 HA ALA B 84 -8.209 8.309 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -10.328 7.044 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -8.928 5.953 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -9.683 6.237 -4.430 1.00 0.00 H new ATOM 2740 N MET B 85 -9.383 8.605 -3.026 1.00 0.00 N ATOM 2741 CA MET B 85 -9.960 9.570 -2.090 1.00 0.00 C ATOM 2742 C MET B 85 -9.001 10.724 -1.865 1.00 0.00 C ATOM 2743 O MET B 85 -9.407 11.883 -1.769 1.00 0.00 O ATOM 2744 CB MET B 85 -10.264 8.903 -0.747 1.00 0.00 C ATOM 2745 CG MET B 85 -10.930 9.915 0.201 1.00 0.00 C ATOM 2746 SD MET B 85 -11.226 9.137 1.810 1.00 0.00 S ATOM 2747 CE MET B 85 -11.769 10.620 2.700 1.00 0.00 C ATOM 0 H MET B 85 -9.168 7.694 -2.620 1.00 0.00 H new ATOM 0 HA MET B 85 -10.887 9.945 -2.523 1.00 0.00 H new ATOM 0 HB2 MET B 85 -10.920 8.046 -0.897 1.00 0.00 H new ATOM 0 HB3 MET B 85 -9.343 8.526 -0.302 1.00 0.00 H new ATOM 0 HG2 MET B 85 -10.292 10.791 0.321 1.00 0.00 H new ATOM 0 HG3 MET B 85 -11.871 10.263 -0.225 1.00 0.00 H new ATOM 0 HE1 MET B 85 -10.986 10.939 3.388 1.00 0.00 H new ATOM 0 HE2 MET B 85 -11.972 11.419 1.986 1.00 0.00 H new ATOM 0 HE3 MET B 85 -12.676 10.396 3.261 1.00 0.00 H new ATOM 2757 N ASN B 86 -7.728 10.394 -1.720 1.00 0.00 N ATOM 2758 CA ASN B 86 -6.730 11.395 -1.390 1.00 0.00 C ATOM 2759 C ASN B 86 -6.683 12.468 -2.438 1.00 0.00 C ATOM 2760 O ASN B 86 -6.348 13.601 -2.147 1.00 0.00 O ATOM 2761 CB ASN B 86 -5.342 10.796 -1.189 1.00 0.00 C ATOM 2762 CG ASN B 86 -4.564 11.684 -0.230 1.00 0.00 C ATOM 2763 OD1 ASN B 86 -5.045 11.977 0.856 1.00 0.00 O ATOM 2764 ND2 ASN B 86 -3.403 12.138 -0.563 1.00 0.00 N ATOM 0 H ASN B 86 -7.364 9.447 -1.825 1.00 0.00 H new ATOM 0 HA ASN B 86 -7.034 11.835 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN B 86 -5.421 9.785 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN B 86 -4.820 10.722 -2.143 1.00 0.00 H new ATOM 0 HD21 ASN B 86 -2.888 12.740 0.079 1.00 0.00 H new ATOM 0 HD22 ASN B 86 -3.001 11.895 -1.468 1.00 0.00 H new ATOM 2771 N ASN B 87 -7.070 12.120 -3.650 1.00 0.00 N ATOM 2772 CA ASN B 87 -7.117 13.093 -4.736 1.00 0.00 C ATOM 2773 C ASN B 87 -7.829 14.350 -4.243 1.00 0.00 C ATOM 2774 O ASN B 87 -7.360 15.468 -4.451 1.00 0.00 O ATOM 2775 CB ASN B 87 -7.865 12.488 -5.930 1.00 0.00 C ATOM 2776 CG ASN B 87 -7.888 13.458 -7.109 1.00 0.00 C ATOM 2777 OD1 ASN B 87 -8.106 14.658 -6.932 1.00 0.00 O ATOM 2778 ND2 ASN B 87 -7.673 13.011 -8.307 1.00 0.00 N ATOM 0 H ASN B 87 -7.356 11.177 -3.912 1.00 0.00 H new ATOM 0 HA ASN B 87 -6.107 13.354 -5.052 1.00 0.00 H new ATOM 0 HB2 ASN B 87 -7.385 11.556 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN B 87 -8.886 12.241 -5.637 1.00 0.00 H new ATOM 0 HD21 ASN B 87 -7.685 13.652 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN B 87 -7.492 12.018 -8.456 1.00 0.00 H new ATOM 2785 N PHE B 88 -8.862 14.138 -3.447 1.00 0.00 N ATOM 2786 CA PHE B 88 -9.557 15.224 -2.766 1.00 0.00 C ATOM 2787 C PHE B 88 -8.575 15.985 -1.857 1.00 0.00 C ATOM 2788 O PHE B 88 -8.583 17.212 -1.795 1.00 0.00 O ATOM 2789 CB PHE B 88 -10.695 14.627 -1.906 1.00 0.00 C ATOM 2790 CG PHE B 88 -11.473 15.712 -1.191 1.00 0.00 C ATOM 2791 CD1 PHE B 88 -11.081 16.129 0.090 1.00 0.00 C ATOM 2792 CD2 PHE B 88 -12.595 16.290 -1.797 1.00 0.00 C ATOM 2793 CE1 PHE B 88 -11.807 17.123 0.755 1.00 0.00 C ATOM 2794 CE2 PHE B 88 -13.318 17.283 -1.131 1.00 0.00 C ATOM 2795 CZ PHE B 88 -12.927 17.701 0.143 1.00 0.00 C ATOM 0 H PHE B 88 -9.244 13.213 -3.253 1.00 0.00 H new ATOM 0 HA PHE B 88 -9.968 15.914 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.369 14.051 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -10.276 13.935 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -10.219 15.683 0.563 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -12.902 15.968 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -11.504 17.445 1.740 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -14.181 17.728 -1.603 1.00 0.00 H new ATOM 0 HZ PHE B 88 -13.487 18.469 0.656 1.00 0.00 H new ATOM 2805 N PHE B 89 -7.798 15.231 -1.103 1.00 0.00 N ATOM 2806 CA PHE B 89 -6.913 15.772 -0.065 1.00 0.00 C ATOM 2807 C PHE B 89 -5.860 16.750 -0.569 1.00 0.00 C ATOM 2808 O PHE B 89 -5.606 17.760 0.082 1.00 0.00 O ATOM 2809 CB PHE B 89 -6.199 14.626 0.654 1.00 0.00 C ATOM 2810 CG PHE B 89 -7.035 14.123 1.802 1.00 0.00 C ATOM 2811 CD1 PHE B 89 -8.243 13.461 1.555 1.00 0.00 C ATOM 2812 CD2 PHE B 89 -6.602 14.320 3.118 1.00 0.00 C ATOM 2813 CE1 PHE B 89 -9.016 13.000 2.622 1.00 0.00 C ATOM 2814 CE2 PHE B 89 -7.375 13.857 4.186 1.00 0.00 C ATOM 2815 CZ PHE B 89 -8.582 13.197 3.939 1.00 0.00 C ATOM 0 H PHE B 89 -7.756 14.215 -1.187 1.00 0.00 H new ATOM 0 HA PHE B 89 -7.566 16.332 0.604 1.00 0.00 H new ATOM 0 HB2 PHE B 89 -6.005 13.814 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE B 89 -5.231 14.966 1.023 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -8.577 13.307 0.540 1.00 0.00 H new ATOM 0 HD2 PHE B 89 -5.669 14.830 3.308 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -9.949 12.491 2.432 1.00 0.00 H new ATOM 0 HE2 PHE B 89 -7.040 14.009 5.201 1.00 0.00 H new ATOM 0 HZ PHE B 89 -9.180 12.839 4.764 1.00 0.00 H new ATOM 2825 N TRP B 90 -5.139 16.400 -1.619 1.00 0.00 N ATOM 2826 CA TRP B 90 -4.000 17.240 -2.015 1.00 0.00 C ATOM 2827 C TRP B 90 -4.485 18.632 -2.330 1.00 0.00 C ATOM 2828 O TRP B 90 -3.853 19.635 -1.972 1.00 0.00 O ATOM 2829 CB TRP B 90 -3.284 16.703 -3.261 1.00 0.00 C ATOM 2830 CG TRP B 90 -3.238 15.215 -3.275 1.00 0.00 C ATOM 2831 CD1 TRP B 90 -4.288 14.434 -3.549 1.00 0.00 C ATOM 2832 CD2 TRP B 90 -2.115 14.320 -3.045 1.00 0.00 C ATOM 2833 NE1 TRP B 90 -3.896 13.117 -3.505 1.00 0.00 N ATOM 2834 CE2 TRP B 90 -2.569 12.992 -3.201 1.00 0.00 C ATOM 2835 CE3 TRP B 90 -0.764 14.522 -2.721 1.00 0.00 C ATOM 2836 CZ2 TRP B 90 -1.722 11.903 -3.047 1.00 0.00 C ATOM 2837 CZ3 TRP B 90 0.099 13.420 -2.563 1.00 0.00 C ATOM 2838 CH2 TRP B 90 -0.387 12.113 -2.729 1.00 0.00 C ATOM 0 H TRP B 90 -5.303 15.577 -2.199 1.00 0.00 H new ATOM 0 HA TRP B 90 -3.300 17.238 -1.180 1.00 0.00 H new ATOM 0 HB2 TRP B 90 -3.795 17.059 -4.155 1.00 0.00 H new ATOM 0 HB3 TRP B 90 -2.269 17.098 -3.295 1.00 0.00 H new ATOM 0 HD1 TRP B 90 -5.286 14.783 -3.770 1.00 0.00 H new ATOM 0 HE1 TRP B 90 -4.520 12.329 -3.678 1.00 0.00 H new ATOM 0 HE3 TRP B 90 -0.385 15.525 -2.593 1.00 0.00 H new ATOM 0 HZ2 TRP B 90 -2.099 10.899 -3.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 90 1.137 13.581 -2.313 1.00 0.00 H new ATOM 0 HH2 TRP B 90 0.278 11.271 -2.609 1.00 0.00 H new ATOM 2849 N GLU B 91 -5.571 18.682 -3.058 1.00 0.00 N ATOM 2850 CA GLU B 91 -6.127 19.926 -3.522 1.00 0.00 C ATOM 2851 C GLU B 91 -6.974 20.584 -2.444 1.00 0.00 C ATOM 2852 O GLU B 91 -6.808 21.769 -2.160 1.00 0.00 O ATOM 2853 CB GLU B 91 -6.951 19.673 -4.778 1.00 0.00 C ATOM 2854 CG GLU B 91 -6.165 18.728 -5.732 1.00 0.00 C ATOM 2855 CD GLU B 91 -5.386 19.510 -6.780 1.00 0.00 C ATOM 2856 OE1 GLU B 91 -4.973 20.615 -6.495 1.00 0.00 O ATOM 2857 OE2 GLU B 91 -5.193 18.986 -7.852 1.00 0.00 O ATOM 0 H GLU B 91 -6.097 17.857 -3.347 1.00 0.00 H new ATOM 0 HA GLU B 91 -5.312 20.610 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -7.909 19.225 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -7.168 20.616 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -5.478 18.113 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -6.860 18.049 -6.226 1.00 0.00 H new ATOM 2864 N ASN B 92 -7.816 19.797 -1.779 1.00 0.00 N ATOM 2865 CA ASN B 92 -8.632 20.333 -0.695 1.00 0.00 C ATOM 2866 C ASN B 92 -7.764 20.614 0.501 1.00 0.00 C ATOM 2867 O ASN B 92 -7.213 19.695 1.118 1.00 0.00 O ATOM 2868 CB ASN B 92 -9.759 19.370 -0.313 1.00 0.00 C ATOM 2869 CG ASN B 92 -10.764 19.272 -1.454 1.00 0.00 C ATOM 2870 OD1 ASN B 92 -11.703 20.066 -1.533 1.00 0.00 O ATOM 2871 ND2 ASN B 92 -10.609 18.370 -2.361 1.00 0.00 N ATOM 0 H ASN B 92 -7.950 18.803 -1.967 1.00 0.00 H new ATOM 0 HA ASN B 92 -9.090 21.260 -1.040 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -9.348 18.385 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -10.256 19.718 0.592 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -11.263 18.314 -3.142 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -9.833 17.712 -2.298 1.00 0.00 H new ATOM 2878 N SER B 93 -7.532 21.883 0.742 1.00 0.00 N ATOM 2879 CA SER B 93 -6.629 22.321 1.776 1.00 0.00 C ATOM 2880 C SER B 93 -6.749 23.832 1.962 1.00 0.00 C ATOM 2881 O SER B 93 -6.693 24.280 3.077 1.00 0.00 O ATOM 2882 CB SER B 93 -5.196 21.934 1.397 1.00 0.00 C ATOM 2883 OG SER B 93 -4.992 20.550 1.696 1.00 0.00 O ATOM 2884 OXT SER B 93 -6.926 24.517 0.977 1.00 0.00 O ATOM 0 H SER B 93 -7.968 22.644 0.222 1.00 0.00 H new ATOM 0 HA SER B 93 -6.886 21.837 2.718 1.00 0.00 H new ATOM 0 HB2 SER B 93 -5.024 22.119 0.337 1.00 0.00 H new ATOM 0 HB3 SER B 93 -4.482 22.547 1.948 1.00 0.00 H new ATOM 0 HG SER B 93 -5.856 20.123 1.873 1.00 0.00 H new TER 2890 SER B 93