USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 833 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 49 THR OG1 : rot -91:sc= 0.414 USER MOD Set 1.2: B 51 THR OG1 : rot 106:sc= 0.448 USER MOD Set 2.1: B 44 THR OG1 : rot 180:sc= 0.915 USER MOD Set 2.2: B 53 THR OG1 : rot 76:sc= 1.02 USER MOD Set 3.1: B 1 MET CE :methyl 179:sc= -4.99! (180deg=-3.16!) USER MOD Set 3.2: B 3 TYR OH : rot 180:sc= -1.59 USER MOD Set 4.1: A 49 THR OG1 : rot -90:sc= 0.415 USER MOD Set 4.2: A 51 THR OG1 : rot 105:sc= 0.447 USER MOD Set 5.1: A 44 THR OG1 : rot 180:sc= 1.13 USER MOD Set 5.2: A 53 THR OG1 : rot 68:sc= 0.916 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= -2.58 (180deg=-4.91!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.22 F(o=-4.4!,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ 145:sc= -2.68! (180deg=-4.91!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.32! USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0225 (180deg=-0.198) USER MOD Single : A 16 THR OG1 : rot 130:sc= -4.51! USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.219 USER MOD Single : A 18 THR OG1 : rot 33:sc= 0.509 USER MOD Single : A 25 THR OG1 : rot -32:sc= 0.177! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0331 (180deg=-0.267) USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -1.76 (180deg=-3.33!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.812 F(o=-2.7,f=-0.81) USER MOD Single : A 35 ASN : amide:sc= -3.51 K(o=-3.5,f=-4.6!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.98 F(o=-5.1!,f=-4) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0104 (180deg=-0.198) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -153:sc= 0.211 (180deg=0.0308) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -137:sc= -2.66! (180deg=-4.99!) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.2 F(o=-4.3!,f=-1.2) USER MOD Single : B 10 LYS NZ :NH3+ 145:sc= -2.71! (180deg=-4.95!) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.35! USER MOD Single : B 13 LYS NZ :NH3+ -168:sc= -0.0311 (180deg=-0.21) USER MOD Single : B 16 THR OG1 : rot 130:sc= -4.49! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.255 USER MOD Single : B 18 THR OG1 : rot 33:sc= 0.501 USER MOD Single : B 25 THR OG1 : rot -29:sc= 0.144! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0517 (180deg=-0.29) USER MOD Single : B 31 LYS NZ :NH3+ -125:sc= -1.8 (180deg=-3.27!) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.874 F(o=-2.7,f=-0.87) USER MOD Single : B 35 ASN : amide:sc= -3.54 K(o=-3.5,f=-4.6!) USER MOD Single : B 37 ASN :FLIP amide:sc= -3.97 F(o=-4.9!,f=-4) USER MOD Single : B 45 TYR OH : rot -170:sc= -1.49 USER MOD Single : B 50 LYS NZ :NH3+ -168:sc= -0.0144 (180deg=-0.172) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.526 -15.830 1.358 1.00 0.00 N ATOM 21 CA GLN A 2 7.270 -14.398 1.432 1.00 0.00 C ATOM 22 C GLN A 2 7.086 -13.825 0.034 1.00 0.00 C ATOM 23 O GLN A 2 7.737 -14.262 -0.916 1.00 0.00 O ATOM 24 CB GLN A 2 8.420 -13.682 2.143 1.00 0.00 C ATOM 25 CG GLN A 2 8.217 -12.178 2.262 1.00 0.00 C ATOM 26 CD GLN A 2 9.364 -11.487 2.977 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.510 -11.546 2.535 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.057 -10.826 4.087 1.00 0.00 N ATOM 0 HA GLN A 2 6.356 -14.241 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.539 -14.105 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.347 -13.874 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.105 -11.751 1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.289 -11.982 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.092 -10.804 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.786 -10.340 4.610 1.00 0.00 H new ATOM 37 N TYR A 3 6.197 -12.848 -0.094 1.00 0.00 N ATOM 38 CA TYR A 3 5.939 -12.228 -1.385 1.00 0.00 C ATOM 39 C TYR A 3 5.986 -10.712 -1.274 1.00 0.00 C ATOM 40 O TYR A 3 5.639 -10.143 -0.238 1.00 0.00 O ATOM 41 CB TYR A 3 4.579 -12.670 -1.926 1.00 0.00 C ATOM 42 CG TYR A 3 4.466 -14.163 -2.144 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.569 -15.052 -1.080 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.250 -14.683 -3.415 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.461 -16.416 -1.278 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.140 -16.045 -3.619 1.00 0.00 C ATOM 47 CZ TYR A 3 4.246 -16.906 -2.549 1.00 0.00 C ATOM 48 OH TYR A 3 4.136 -18.263 -2.749 1.00 0.00 O ATOM 0 H TYR A 3 5.646 -12.470 0.677 1.00 0.00 H new ATOM 0 HA TYR A 3 6.717 -12.550 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.801 -12.354 -1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.390 -12.159 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.736 -14.671 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.167 -14.011 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.545 -17.094 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.972 -16.433 -4.613 1.00 0.00 H new ATOM 0 HH TYR A 3 3.985 -18.442 -3.701 1.00 0.00 H new ATOM 58 N LYS A 4 6.405 -10.064 -2.350 1.00 0.00 N ATOM 59 CA LYS A 4 6.486 -8.612 -2.381 1.00 0.00 C ATOM 60 C LYS A 4 5.375 -8.049 -3.258 1.00 0.00 C ATOM 61 O LYS A 4 4.911 -8.706 -4.186 1.00 0.00 O ATOM 62 CB LYS A 4 7.863 -8.166 -2.880 1.00 0.00 C ATOM 63 CG LYS A 4 8.002 -6.661 -3.049 1.00 0.00 C ATOM 64 CD LYS A 4 9.462 -6.220 -3.082 1.00 0.00 C ATOM 65 CE LYS A 4 10.260 -6.938 -4.162 1.00 0.00 C ATOM 66 NZ LYS A 4 10.526 -8.364 -3.812 1.00 0.00 N ATOM 0 H LYS A 4 6.695 -10.521 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 4 6.355 -8.225 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.622 -8.514 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.066 -8.649 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.510 -6.353 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.489 -6.156 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.510 -5.145 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.918 -6.409 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.715 -6.893 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.207 -6.421 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.506 -8.606 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.386 -8.503 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.872 -8.978 -4.338 1.00 0.00 H new ATOM 80 N VAL A 5 4.940 -6.837 -2.945 1.00 0.00 N ATOM 81 CA VAL A 5 3.874 -6.193 -3.697 1.00 0.00 C ATOM 82 C VAL A 5 4.228 -4.745 -4.008 1.00 0.00 C ATOM 83 O VAL A 5 4.471 -3.944 -3.105 1.00 0.00 O ATOM 84 CB VAL A 5 2.535 -6.246 -2.926 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.418 -5.586 -3.724 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.171 -7.683 -2.580 1.00 0.00 C ATOM 0 H VAL A 5 5.309 -6.280 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 5 3.760 -6.740 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 5 2.659 -5.690 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.488 -5.637 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.672 -4.543 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.294 -6.105 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.226 -7.698 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.073 -8.264 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.953 -8.117 -1.957 1.00 0.00 H new ATOM 96 N ILE A 6 4.247 -4.414 -5.291 1.00 0.00 N ATOM 97 CA ILE A 6 4.560 -3.059 -5.719 1.00 0.00 C ATOM 98 C ILE A 6 3.277 -2.265 -5.918 1.00 0.00 C ATOM 99 O ILE A 6 2.385 -2.680 -6.653 1.00 0.00 O ATOM 100 CB ILE A 6 5.386 -3.054 -7.021 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.745 -3.714 -6.786 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.569 -1.635 -7.537 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.596 -3.808 -8.034 1.00 0.00 C ATOM 0 H ILE A 6 4.050 -5.064 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 6 5.160 -2.593 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 6 4.844 -3.624 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.288 -3.149 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.589 -4.716 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.155 -1.655 -8.456 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.593 -1.192 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.090 -1.040 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.545 -4.287 -7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.074 -4.398 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.783 -2.807 -8.423 1.00 0.00 H new ATOM 115 N LEU A 7 3.180 -1.129 -5.243 1.00 0.00 N ATOM 116 CA LEU A 7 1.994 -0.292 -5.339 1.00 0.00 C ATOM 117 C LEU A 7 2.282 0.947 -6.187 1.00 0.00 C ATOM 118 O LEU A 7 2.643 2.001 -5.661 1.00 0.00 O ATOM 119 CB LEU A 7 1.530 0.101 -3.930 1.00 0.00 C ATOM 120 CG LEU A 7 1.601 -1.021 -2.895 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.116 -0.524 -1.542 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.786 -2.220 -3.357 1.00 0.00 C ATOM 0 H LEU A 7 3.906 -0.767 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 7 1.196 -0.851 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.138 0.936 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.502 0.458 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 7 2.639 -1.336 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.172 -1.334 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.744 0.304 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.084 -0.185 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.846 -3.011 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.255 -1.924 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.182 -2.586 -4.305 1.00 0.00 H new ATOM 134 N ASN A 8 2.134 0.807 -7.505 1.00 0.00 N ATOM 135 CA ASN A 8 2.391 1.907 -8.435 1.00 0.00 C ATOM 136 C ASN A 8 1.116 2.680 -8.763 1.00 0.00 C ATOM 137 O ASN A 8 0.241 2.176 -9.459 1.00 0.00 O ATOM 138 CB ASN A 8 3.006 1.377 -9.737 1.00 0.00 C ATOM 139 CG ASN A 8 4.435 0.877 -9.581 1.00 0.00 C ATOM 140 OD1 ASN A 8 5.000 1.002 -8.384 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.032 0.385 -10.539 1.00 0.00 N flip ATOM 0 H ASN A 8 1.837 -0.060 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 8 3.090 2.584 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.386 0.565 -10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.988 2.169 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.567 0.305 -11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.992 0.058 -10.428 1.00 0.00 H new ATOM 148 N GLY A 9 1.019 3.909 -8.270 1.00 0.00 N ATOM 149 CA GLY A 9 -0.155 4.719 -8.540 1.00 0.00 C ATOM 150 C GLY A 9 0.166 5.963 -9.339 1.00 0.00 C ATOM 151 O GLY A 9 1.248 6.084 -9.912 1.00 0.00 O ATOM 0 H GLY A 9 1.728 4.358 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.887 4.121 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.617 5.008 -7.596 1.00 0.00 H new ATOM 155 N LYS A 10 -0.784 6.887 -9.374 1.00 0.00 N ATOM 156 CA LYS A 10 -0.614 8.135 -10.103 1.00 0.00 C ATOM 157 C LYS A 10 0.297 9.083 -9.335 1.00 0.00 C ATOM 158 O LYS A 10 1.328 9.526 -9.843 1.00 0.00 O ATOM 159 CB LYS A 10 -1.973 8.797 -10.327 1.00 0.00 C ATOM 160 CG LYS A 10 -3.034 7.843 -10.853 1.00 0.00 C ATOM 161 CD LYS A 10 -2.609 7.172 -12.150 1.00 0.00 C ATOM 162 CE LYS A 10 -2.656 8.131 -13.330 1.00 0.00 C ATOM 163 NZ LYS A 10 -1.624 9.201 -13.234 1.00 0.00 N ATOM 0 H LYS A 10 -1.684 6.795 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.156 7.912 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.317 9.228 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.855 9.621 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.240 7.081 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.963 8.389 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.598 6.781 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.261 6.321 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.511 7.572 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.644 8.587 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.276 9.434 -14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.042 10.049 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.832 8.868 -12.648 1.00 0.00 H new ATOM 177 N THR A 11 -0.103 9.397 -8.108 1.00 0.00 N ATOM 178 CA THR A 11 0.648 10.300 -7.254 1.00 0.00 C ATOM 179 C THR A 11 1.313 9.550 -6.108 1.00 0.00 C ATOM 180 O THR A 11 1.852 10.165 -5.187 1.00 0.00 O ATOM 181 CB THR A 11 -0.298 11.353 -6.688 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.515 10.754 -6.282 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.631 12.457 -7.664 1.00 0.00 C ATOM 0 H THR A 11 -0.955 9.032 -7.681 1.00 0.00 H new ATOM 0 HA THR A 11 1.429 10.772 -7.851 1.00 0.00 H new ATOM 0 HB THR A 11 0.232 11.795 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.264 11.338 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.308 13.169 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.284 12.969 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.110 12.031 -8.546 1.00 0.00 H new ATOM 191 N LEU A 12 1.264 8.226 -6.155 1.00 0.00 N ATOM 192 CA LEU A 12 1.857 7.420 -5.104 1.00 0.00 C ATOM 193 C LEU A 12 2.560 6.193 -5.671 1.00 0.00 C ATOM 194 O LEU A 12 2.063 5.541 -6.587 1.00 0.00 O ATOM 195 CB LEU A 12 0.782 7.010 -4.096 1.00 0.00 C ATOM 196 CG LEU A 12 1.283 6.186 -2.918 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.477 6.874 -2.285 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.175 5.981 -1.895 1.00 0.00 C ATOM 0 H LEU A 12 0.823 7.693 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 12 2.611 8.021 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.303 7.911 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.014 6.439 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 12 1.591 5.204 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.833 6.282 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.274 6.972 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.183 7.864 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.554 5.390 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.165 6.949 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.659 5.457 -2.362 1.00 0.00 H new ATOM 210 N LYS A 13 3.720 5.883 -5.100 1.00 0.00 N ATOM 211 CA LYS A 13 4.507 4.730 -5.521 1.00 0.00 C ATOM 212 C LYS A 13 5.209 4.111 -4.319 1.00 0.00 C ATOM 213 O LYS A 13 5.590 4.821 -3.391 1.00 0.00 O ATOM 214 CB LYS A 13 5.545 5.132 -6.574 1.00 0.00 C ATOM 215 CG LYS A 13 4.974 5.944 -7.724 1.00 0.00 C ATOM 216 CD LYS A 13 4.921 7.428 -7.396 1.00 0.00 C ATOM 217 CE LYS A 13 4.289 8.223 -8.526 1.00 0.00 C ATOM 218 NZ LYS A 13 5.043 8.073 -9.802 1.00 0.00 N ATOM 0 H LYS A 13 4.138 6.419 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 13 3.830 3.999 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.333 5.709 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.010 4.231 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.583 5.790 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.971 5.587 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.351 7.579 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.929 7.797 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.261 7.892 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.249 9.277 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.708 8.779 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.058 8.217 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.890 7.118 -10.185 1.00 0.00 H new ATOM 232 N GLY A 14 5.387 2.793 -4.332 1.00 0.00 N ATOM 233 CA GLY A 14 6.050 2.142 -3.215 1.00 0.00 C ATOM 234 C GLY A 14 6.159 0.638 -3.365 1.00 0.00 C ATOM 235 O GLY A 14 5.949 0.092 -4.448 1.00 0.00 O ATOM 0 H GLY A 14 5.089 2.171 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.050 2.561 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.505 2.368 -2.298 1.00 0.00 H new ATOM 239 N GLU A 15 6.491 -0.029 -2.261 1.00 0.00 N ATOM 240 CA GLU A 15 6.636 -1.480 -2.245 1.00 0.00 C ATOM 241 C GLU A 15 6.264 -2.044 -0.876 1.00 0.00 C ATOM 242 O GLU A 15 6.380 -1.362 0.142 1.00 0.00 O ATOM 243 CB GLU A 15 8.070 -1.876 -2.600 1.00 0.00 C ATOM 244 CG GLU A 15 8.518 -1.380 -3.965 1.00 0.00 C ATOM 245 CD GLU A 15 9.949 -1.772 -4.288 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.238 -2.986 -4.322 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.777 -0.864 -4.508 1.00 0.00 O ATOM 0 H GLU A 15 6.665 0.418 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 15 5.959 -1.898 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.745 -1.483 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.156 -2.962 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.854 -1.782 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.425 -0.295 -4.001 1.00 0.00 H new ATOM 254 N THR A 16 5.813 -3.292 -0.863 1.00 0.00 N ATOM 255 CA THR A 16 5.414 -3.957 0.372 1.00 0.00 C ATOM 256 C THR A 16 5.626 -5.471 0.263 1.00 0.00 C ATOM 257 O THR A 16 5.916 -5.978 -0.814 1.00 0.00 O ATOM 258 CB THR A 16 3.959 -3.620 0.703 1.00 0.00 C ATOM 259 OG1 THR A 16 3.420 -4.570 1.585 1.00 0.00 O ATOM 260 CG2 THR A 16 3.057 -3.552 -0.509 1.00 0.00 C ATOM 0 H THR A 16 5.714 -3.868 -1.699 1.00 0.00 H new ATOM 0 HA THR A 16 6.041 -3.595 1.187 1.00 0.00 H new ATOM 0 HB THR A 16 3.993 -2.629 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.994 -4.112 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.042 -3.309 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.420 -2.782 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.058 -4.516 -1.018 1.00 0.00 H new ATOM 268 N THR A 17 5.510 -6.187 1.383 1.00 0.00 N ATOM 269 CA THR A 17 5.729 -7.638 1.377 1.00 0.00 C ATOM 270 C THR A 17 4.770 -8.396 2.299 1.00 0.00 C ATOM 271 O THR A 17 4.755 -8.184 3.512 1.00 0.00 O ATOM 272 CB THR A 17 7.170 -7.949 1.783 1.00 0.00 C ATOM 273 OG1 THR A 17 7.476 -7.351 3.030 1.00 0.00 O ATOM 274 CG2 THR A 17 8.196 -7.474 0.777 1.00 0.00 C ATOM 0 H THR A 17 5.270 -5.795 2.294 1.00 0.00 H new ATOM 0 HA THR A 17 5.534 -7.977 0.359 1.00 0.00 H new ATOM 0 HB THR A 17 7.226 -9.036 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.667 -7.311 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.196 -7.728 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.016 -7.958 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.116 -6.393 0.659 1.00 0.00 H new ATOM 282 N THR A 18 3.984 -9.294 1.704 1.00 0.00 N ATOM 283 CA THR A 18 3.026 -10.111 2.445 1.00 0.00 C ATOM 284 C THR A 18 3.506 -11.562 2.526 1.00 0.00 C ATOM 285 O THR A 18 4.055 -12.099 1.565 1.00 0.00 O ATOM 286 CB THR A 18 1.656 -10.067 1.764 1.00 0.00 C ATOM 287 OG1 THR A 18 0.680 -10.692 2.575 1.00 0.00 O ATOM 288 CG2 THR A 18 1.638 -10.748 0.409 1.00 0.00 C ATOM 0 H THR A 18 3.994 -9.474 0.700 1.00 0.00 H new ATOM 0 HA THR A 18 2.943 -9.707 3.454 1.00 0.00 H new ATOM 0 HB THR A 18 1.434 -9.010 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.902 -10.554 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.638 -10.681 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.350 -10.257 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.913 -11.796 0.525 1.00 0.00 H new ATOM 296 N GLU A 19 3.283 -12.191 3.674 1.00 0.00 N ATOM 297 CA GLU A 19 3.676 -13.584 3.882 1.00 0.00 C ATOM 298 C GLU A 19 2.473 -14.499 3.675 1.00 0.00 C ATOM 299 O GLU A 19 1.536 -14.488 4.476 1.00 0.00 O ATOM 300 CB GLU A 19 4.235 -13.754 5.299 1.00 0.00 C ATOM 301 CG GLU A 19 4.505 -15.198 5.697 1.00 0.00 C ATOM 302 CD GLU A 19 5.520 -15.879 4.802 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.637 -15.341 4.652 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.203 -16.959 4.264 1.00 0.00 O ATOM 0 H GLU A 19 2.830 -11.758 4.479 1.00 0.00 H new ATOM 0 HA GLU A 19 4.448 -13.854 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.162 -13.187 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.532 -13.319 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.861 -15.225 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.570 -15.758 5.668 1.00 0.00 H new ATOM 311 N ALA A 20 2.483 -15.282 2.595 1.00 0.00 N ATOM 312 CA ALA A 20 1.368 -16.176 2.305 1.00 0.00 C ATOM 313 C ALA A 20 1.831 -17.466 1.627 1.00 0.00 C ATOM 314 O ALA A 20 2.815 -17.481 0.886 1.00 0.00 O ATOM 315 CB ALA A 20 0.345 -15.461 1.440 1.00 0.00 C ATOM 0 H ALA A 20 3.243 -15.314 1.915 1.00 0.00 H new ATOM 0 HA ALA A 20 0.909 -16.456 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.485 -16.134 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.026 -14.582 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.811 -15.153 0.504 1.00 0.00 H new ATOM 321 N VAL A 21 1.119 -18.552 1.916 1.00 0.00 N ATOM 322 CA VAL A 21 1.441 -19.873 1.374 1.00 0.00 C ATOM 323 C VAL A 21 1.605 -19.856 -0.147 1.00 0.00 C ATOM 324 O VAL A 21 2.438 -20.578 -0.694 1.00 0.00 O ATOM 325 CB VAL A 21 0.352 -20.899 1.741 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.780 -22.305 1.344 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.026 -20.826 3.223 1.00 0.00 C ATOM 0 H VAL A 21 0.305 -18.544 2.530 1.00 0.00 H new ATOM 0 HA VAL A 21 2.392 -20.160 1.822 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.552 -20.654 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.004 -23.013 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.951 -22.343 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.700 -22.567 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.745 -21.558 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.923 -21.041 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.334 -19.827 3.468 1.00 0.00 H new ATOM 337 N ASP A 22 0.813 -19.034 -0.826 1.00 0.00 N ATOM 338 CA ASP A 22 0.893 -18.942 -2.282 1.00 0.00 C ATOM 339 C ASP A 22 0.539 -17.542 -2.771 1.00 0.00 C ATOM 340 O ASP A 22 0.115 -16.691 -1.991 1.00 0.00 O ATOM 341 CB ASP A 22 -0.018 -19.985 -2.940 1.00 0.00 C ATOM 342 CG ASP A 22 -1.487 -19.728 -2.680 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.996 -18.689 -3.143 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.130 -20.570 -2.014 1.00 0.00 O ATOM 0 H ASP A 22 0.114 -18.426 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 22 1.924 -19.147 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.161 -19.990 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.244 -20.976 -2.569 1.00 0.00 H new ATOM 349 N ALA A 23 0.725 -17.309 -4.068 1.00 0.00 N ATOM 350 CA ALA A 23 0.438 -16.011 -4.663 1.00 0.00 C ATOM 351 C ALA A 23 -1.011 -15.607 -4.446 1.00 0.00 C ATOM 352 O ALA A 23 -1.299 -14.461 -4.115 1.00 0.00 O ATOM 353 CB ALA A 23 0.770 -16.023 -6.146 1.00 0.00 C ATOM 0 H ALA A 23 1.074 -18.005 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 23 1.066 -15.271 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.550 -15.046 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.828 -16.249 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.171 -16.783 -6.647 1.00 0.00 H new ATOM 359 N ALA A 24 -1.923 -16.551 -4.628 1.00 0.00 N ATOM 360 CA ALA A 24 -3.340 -16.273 -4.440 1.00 0.00 C ATOM 361 C ALA A 24 -3.603 -15.881 -2.996 1.00 0.00 C ATOM 362 O ALA A 24 -4.149 -14.812 -2.723 1.00 0.00 O ATOM 363 CB ALA A 24 -4.184 -17.473 -4.842 1.00 0.00 C ATOM 0 H ALA A 24 -1.710 -17.510 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.623 -15.440 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.239 -17.242 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.008 -17.706 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.910 -18.332 -4.229 1.00 0.00 H new ATOM 369 N THR A 25 -3.182 -16.734 -2.067 1.00 0.00 N ATOM 370 CA THR A 25 -3.343 -16.452 -0.654 1.00 0.00 C ATOM 371 C THR A 25 -2.735 -15.095 -0.347 1.00 0.00 C ATOM 372 O THR A 25 -3.349 -14.257 0.312 1.00 0.00 O ATOM 373 CB THR A 25 -2.670 -17.538 0.181 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.291 -17.623 -0.119 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.271 -18.911 -0.017 1.00 0.00 C ATOM 0 H THR A 25 -2.728 -17.624 -2.272 1.00 0.00 H new ATOM 0 HA THR A 25 -4.404 -16.438 -0.403 1.00 0.00 H new ATOM 0 HB THR A 25 -2.829 -17.239 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.146 -17.388 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.744 -19.632 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.324 -18.891 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.179 -19.201 -1.064 1.00 0.00 H new ATOM 383 N ALA A 26 -1.534 -14.872 -0.874 1.00 0.00 N ATOM 384 CA ALA A 26 -0.857 -13.599 -0.700 1.00 0.00 C ATOM 385 C ALA A 26 -1.729 -12.495 -1.275 1.00 0.00 C ATOM 386 O ALA A 26 -2.063 -11.529 -0.588 1.00 0.00 O ATOM 387 CB ALA A 26 0.506 -13.622 -1.377 1.00 0.00 C ATOM 0 H ALA A 26 -1.014 -15.557 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.694 -13.413 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.999 -12.660 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.117 -14.410 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.380 -13.812 -2.443 1.00 0.00 H new ATOM 393 N GLU A 27 -2.117 -12.659 -2.541 1.00 0.00 N ATOM 394 CA GLU A 27 -2.975 -11.696 -3.215 1.00 0.00 C ATOM 395 C GLU A 27 -4.170 -11.349 -2.335 1.00 0.00 C ATOM 396 O GLU A 27 -4.473 -10.175 -2.114 1.00 0.00 O ATOM 397 CB GLU A 27 -3.457 -12.269 -4.550 1.00 0.00 C ATOM 398 CG GLU A 27 -4.374 -11.333 -5.320 1.00 0.00 C ATOM 399 CD GLU A 27 -4.796 -11.905 -6.659 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.419 -12.986 -6.673 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.506 -11.268 -7.693 1.00 0.00 O ATOM 0 H GLU A 27 -1.847 -13.455 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.403 -10.788 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.591 -12.505 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.981 -13.207 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.261 -11.125 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.866 -10.382 -5.479 1.00 0.00 H new ATOM 408 N LYS A 28 -4.833 -12.381 -1.819 1.00 0.00 N ATOM 409 CA LYS A 28 -5.979 -12.186 -0.944 1.00 0.00 C ATOM 410 C LYS A 28 -5.552 -11.424 0.299 1.00 0.00 C ATOM 411 O LYS A 28 -6.216 -10.477 0.721 1.00 0.00 O ATOM 412 CB LYS A 28 -6.592 -13.532 -0.551 1.00 0.00 C ATOM 413 CG LYS A 28 -7.124 -14.323 -1.733 1.00 0.00 C ATOM 414 CD LYS A 28 -8.123 -13.509 -2.535 1.00 0.00 C ATOM 415 CE LYS A 28 -8.654 -14.293 -3.723 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.343 -15.543 -3.301 1.00 0.00 N ATOM 0 H LYS A 28 -4.595 -13.357 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.733 -11.608 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.840 -14.128 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.404 -13.360 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.296 -14.622 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.598 -15.238 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.953 -13.214 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.649 -12.592 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.347 -13.670 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.830 -14.541 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.890 -15.924 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.636 -16.244 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.985 -15.335 -2.509 1.00 0.00 H new ATOM 430 N VAL A 29 -4.426 -11.835 0.873 1.00 0.00 N ATOM 431 CA VAL A 29 -3.894 -11.180 2.058 1.00 0.00 C ATOM 432 C VAL A 29 -3.647 -9.707 1.777 1.00 0.00 C ATOM 433 O VAL A 29 -3.927 -8.849 2.612 1.00 0.00 O ATOM 434 CB VAL A 29 -2.584 -11.846 2.526 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.020 -11.130 3.743 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.810 -13.322 2.823 1.00 0.00 C ATOM 0 H VAL A 29 -3.866 -12.618 0.536 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.633 -11.280 2.853 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.854 -11.768 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.096 -11.617 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.815 -10.090 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.744 -11.170 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.874 -13.774 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.558 -13.425 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.159 -13.825 1.921 1.00 0.00 H new ATOM 446 N VAL A 30 -3.150 -9.420 0.580 1.00 0.00 N ATOM 447 CA VAL A 30 -2.904 -8.047 0.175 1.00 0.00 C ATOM 448 C VAL A 30 -4.238 -7.334 0.002 1.00 0.00 C ATOM 449 O VAL A 30 -4.464 -6.271 0.575 1.00 0.00 O ATOM 450 CB VAL A 30 -2.097 -7.977 -1.137 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.878 -6.533 -1.568 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.764 -8.698 -0.981 1.00 0.00 C ATOM 0 H VAL A 30 -2.911 -10.119 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.313 -7.559 0.950 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.673 -8.476 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.306 -6.513 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.842 -6.050 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.328 -6.001 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.207 -8.639 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.187 -8.228 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.943 -9.744 -0.731 1.00 0.00 H new ATOM 462 N LYS A 31 -5.141 -7.937 -0.774 1.00 0.00 N ATOM 463 CA LYS A 31 -6.462 -7.357 -0.984 1.00 0.00 C ATOM 464 C LYS A 31 -7.095 -7.004 0.353 1.00 0.00 C ATOM 465 O LYS A 31 -7.687 -5.937 0.509 1.00 0.00 O ATOM 466 CB LYS A 31 -7.367 -8.313 -1.764 1.00 0.00 C ATOM 467 CG LYS A 31 -7.112 -8.292 -3.261 1.00 0.00 C ATOM 468 CD LYS A 31 -8.033 -9.251 -3.999 1.00 0.00 C ATOM 469 CE LYS A 31 -7.944 -9.062 -5.505 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.564 -9.277 -6.021 1.00 0.00 N ATOM 0 H LYS A 31 -4.981 -8.818 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.345 -6.448 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.220 -9.327 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.408 -8.052 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.258 -7.281 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.074 -8.560 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.770 -10.278 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.061 -9.094 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.626 -9.756 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.273 -8.055 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.285 -8.468 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.904 -9.366 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.538 -10.147 -6.590 1.00 0.00 H new ATOM 484 N GLN A 32 -6.935 -7.894 1.327 1.00 0.00 N ATOM 485 CA GLN A 32 -7.466 -7.653 2.659 1.00 0.00 C ATOM 486 C GLN A 32 -6.762 -6.441 3.262 1.00 0.00 C ATOM 487 O GLN A 32 -7.372 -5.628 3.953 1.00 0.00 O ATOM 488 CB GLN A 32 -7.268 -8.881 3.551 1.00 0.00 C ATOM 489 CG GLN A 32 -7.875 -8.732 4.940 1.00 0.00 C ATOM 490 CD GLN A 32 -9.395 -8.626 4.941 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.029 -8.828 3.787 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.000 -8.380 5.985 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.445 -8.782 1.218 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.536 -7.459 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.710 -9.749 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.201 -9.079 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.580 -9.587 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.458 -7.844 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.483 -8.231 6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.019 -8.326 5.984 1.00 0.00 H new ATOM 501 N PHE A 33 -5.469 -6.334 2.967 1.00 0.00 N ATOM 502 CA PHE A 33 -4.650 -5.227 3.446 1.00 0.00 C ATOM 503 C PHE A 33 -5.278 -3.892 3.043 1.00 0.00 C ATOM 504 O PHE A 33 -5.634 -3.075 3.890 1.00 0.00 O ATOM 505 CB PHE A 33 -3.236 -5.351 2.856 1.00 0.00 C ATOM 506 CG PHE A 33 -2.238 -4.406 3.452 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.826 -4.566 4.763 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.713 -3.356 2.707 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.911 -3.698 5.322 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.796 -2.488 3.268 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.398 -2.661 4.578 1.00 0.00 C ATOM 0 H PHE A 33 -4.963 -7.008 2.393 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.591 -5.264 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.883 -6.372 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.286 -5.178 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.224 -5.378 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.024 -3.218 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.597 -3.833 6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.391 -1.676 2.682 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.317 -1.982 5.019 1.00 0.00 H new ATOM 521 N PHE A 34 -5.416 -3.697 1.737 1.00 0.00 N ATOM 522 CA PHE A 34 -6.008 -2.478 1.191 1.00 0.00 C ATOM 523 C PHE A 34 -7.495 -2.416 1.498 1.00 0.00 C ATOM 524 O PHE A 34 -8.023 -1.365 1.851 1.00 0.00 O ATOM 525 CB PHE A 34 -5.736 -2.401 -0.306 1.00 0.00 C ATOM 526 CG PHE A 34 -4.266 -2.401 -0.586 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.434 -1.516 0.081 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.708 -3.297 -1.479 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.074 -1.525 -0.137 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.346 -3.305 -1.707 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.530 -2.419 -1.032 1.00 0.00 C ATOM 0 H PHE A 34 -5.124 -4.372 1.030 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.548 -1.611 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.205 -3.247 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.187 -1.497 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.857 -0.810 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.343 -3.997 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.436 -0.833 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.920 -4.003 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.464 -2.427 -1.206 1.00 0.00 H new ATOM 541 N ASN A 35 -8.160 -3.556 1.388 1.00 0.00 N ATOM 542 CA ASN A 35 -9.585 -3.639 1.685 1.00 0.00 C ATOM 543 C ASN A 35 -9.868 -3.018 3.051 1.00 0.00 C ATOM 544 O ASN A 35 -10.882 -2.353 3.257 1.00 0.00 O ATOM 545 CB ASN A 35 -10.021 -5.102 1.690 1.00 0.00 C ATOM 546 CG ASN A 35 -11.492 -5.276 1.997 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.006 -4.734 2.974 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.169 -6.052 1.169 1.00 0.00 N ATOM 0 H ASN A 35 -7.737 -4.437 1.095 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.142 -3.095 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.803 -5.544 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.434 -5.649 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.162 -6.223 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.699 -6.480 0.372 1.00 0.00 H new ATOM 555 N ASP A 36 -8.945 -3.260 3.974 1.00 0.00 N ATOM 556 CA ASP A 36 -9.056 -2.751 5.337 1.00 0.00 C ATOM 557 C ASP A 36 -8.320 -1.422 5.526 1.00 0.00 C ATOM 558 O ASP A 36 -8.659 -0.652 6.424 1.00 0.00 O ATOM 559 CB ASP A 36 -8.536 -3.786 6.334 1.00 0.00 C ATOM 560 CG ASP A 36 -9.362 -5.059 6.329 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.461 -5.697 5.261 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.910 -5.416 7.393 1.00 0.00 O ATOM 0 H ASP A 36 -8.104 -3.811 3.802 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.114 -2.565 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.500 -4.027 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.541 -3.356 7.336 1.00 0.00 H new ATOM 567 N ASN A 37 -7.331 -1.138 4.681 1.00 0.00 N ATOM 568 CA ASN A 37 -6.595 0.122 4.790 1.00 0.00 C ATOM 569 C ASN A 37 -7.385 1.243 4.132 1.00 0.00 C ATOM 570 O ASN A 37 -7.543 2.322 4.700 1.00 0.00 O ATOM 571 CB ASN A 37 -5.210 0.025 4.138 1.00 0.00 C ATOM 572 CG ASN A 37 -4.275 -0.920 4.865 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.522 -1.710 4.108 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.204 -0.915 6.095 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.024 -1.750 3.925 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.459 0.335 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.323 -0.308 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.760 1.017 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.802 -0.292 6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.548 -1.534 6.570 1.00 0.00 H new ATOM 581 N GLY A 38 -7.876 0.953 2.928 1.00 0.00 N ATOM 582 CA GLY A 38 -8.663 1.893 2.143 1.00 0.00 C ATOM 583 C GLY A 38 -9.026 3.193 2.842 1.00 0.00 C ATOM 584 O GLY A 38 -8.161 4.028 3.114 1.00 0.00 O ATOM 0 H GLY A 38 -7.736 0.052 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.110 2.132 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.584 1.398 1.834 1.00 0.00 H new ATOM 588 N VAL A 39 -10.323 3.394 3.054 1.00 0.00 N ATOM 589 CA VAL A 39 -10.823 4.639 3.637 1.00 0.00 C ATOM 590 C VAL A 39 -11.233 4.536 5.108 1.00 0.00 C ATOM 591 O VAL A 39 -11.665 5.534 5.686 1.00 0.00 O ATOM 592 CB VAL A 39 -12.045 5.132 2.845 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.486 6.509 3.319 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.751 5.141 1.354 1.00 0.00 C ATOM 0 H VAL A 39 -11.048 2.712 2.832 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.985 5.334 3.582 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.866 4.438 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.352 6.833 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.751 6.463 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.671 7.220 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.629 5.493 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.910 5.805 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.503 4.132 1.026 1.00 0.00 H new ATOM 604 N ASP A 40 -11.121 3.370 5.729 1.00 0.00 N ATOM 605 CA ASP A 40 -11.514 3.241 7.135 1.00 0.00 C ATOM 606 C ASP A 40 -10.385 2.678 7.998 1.00 0.00 C ATOM 607 O ASP A 40 -10.623 2.212 9.113 1.00 0.00 O ATOM 608 CB ASP A 40 -12.752 2.350 7.257 1.00 0.00 C ATOM 609 CG ASP A 40 -13.946 2.909 6.506 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.807 3.983 5.882 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.020 2.273 6.543 1.00 0.00 O ATOM 0 H ASP A 40 -10.770 2.515 5.298 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.743 4.242 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.519 1.356 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.010 2.235 8.310 1.00 0.00 H new ATOM 616 N GLY A 41 -9.160 2.710 7.484 1.00 0.00 N ATOM 617 CA GLY A 41 -8.032 2.188 8.235 1.00 0.00 C ATOM 618 C GLY A 41 -7.532 3.145 9.304 1.00 0.00 C ATOM 619 O GLY A 41 -7.903 4.318 9.322 1.00 0.00 O ATOM 0 H GLY A 41 -8.928 3.086 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.320 1.247 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.217 1.964 7.546 1.00 0.00 H new ATOM 623 N GLU A 42 -6.675 2.639 10.189 1.00 0.00 N ATOM 624 CA GLU A 42 -6.103 3.451 11.261 1.00 0.00 C ATOM 625 C GLU A 42 -4.742 3.991 10.834 1.00 0.00 C ATOM 626 O GLU A 42 -3.743 3.273 10.866 1.00 0.00 O ATOM 627 CB GLU A 42 -5.956 2.630 12.546 1.00 0.00 C ATOM 628 CG GLU A 42 -7.268 2.062 13.070 1.00 0.00 C ATOM 629 CD GLU A 42 -7.789 0.904 12.239 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.072 0.458 11.318 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.911 0.430 12.521 1.00 0.00 O ATOM 0 H GLU A 42 -6.361 1.669 10.185 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.777 4.284 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.263 1.809 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.510 3.258 13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.128 1.729 14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.017 2.853 13.090 1.00 0.00 H new ATOM 638 N TRP A 43 -4.718 5.245 10.396 1.00 0.00 N ATOM 639 CA TRP A 43 -3.487 5.862 9.918 1.00 0.00 C ATOM 640 C TRP A 43 -2.818 6.755 10.962 1.00 0.00 C ATOM 641 O TRP A 43 -3.414 7.717 11.446 1.00 0.00 O ATOM 642 CB TRP A 43 -3.780 6.709 8.684 1.00 0.00 C ATOM 643 CG TRP A 43 -4.351 5.949 7.529 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.103 4.805 7.563 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.216 6.298 6.153 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.440 4.431 6.282 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.907 5.333 5.404 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.575 7.341 5.482 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.975 5.379 4.015 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.642 7.387 4.106 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.339 6.411 3.383 1.00 0.00 C ATOM 0 H TRP A 43 -5.536 5.853 10.362 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.804 5.045 9.687 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.476 7.502 8.960 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.857 7.192 8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.389 4.276 8.460 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.996 3.614 6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.036 8.099 6.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.511 4.626 3.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.149 8.189 3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.375 6.475 2.305 1.00 0.00 H new ATOM 662 N THR A 44 -1.561 6.451 11.268 1.00 0.00 N ATOM 663 CA THR A 44 -0.784 7.245 12.212 1.00 0.00 C ATOM 664 C THR A 44 0.306 8.002 11.456 1.00 0.00 C ATOM 665 O THR A 44 0.960 7.442 10.575 1.00 0.00 O ATOM 666 CB THR A 44 -0.166 6.350 13.288 1.00 0.00 C ATOM 667 OG1 THR A 44 0.636 5.343 12.702 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.196 5.666 14.160 1.00 0.00 C ATOM 0 H THR A 44 -1.057 5.657 10.874 1.00 0.00 H new ATOM 0 HA THR A 44 -1.442 7.959 12.707 1.00 0.00 H new ATOM 0 HB THR A 44 0.430 7.017 13.911 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.023 4.782 13.406 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.691 5.047 14.902 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.801 6.418 14.666 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.838 5.040 13.541 1.00 0.00 H new ATOM 676 N TYR A 45 0.487 9.278 11.781 1.00 0.00 N ATOM 677 CA TYR A 45 1.485 10.102 11.100 1.00 0.00 C ATOM 678 C TYR A 45 2.718 10.338 11.968 1.00 0.00 C ATOM 679 O TYR A 45 2.619 10.482 13.186 1.00 0.00 O ATOM 680 CB TYR A 45 0.870 11.443 10.697 1.00 0.00 C ATOM 681 CG TYR A 45 1.830 12.354 9.965 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.560 11.893 8.877 1.00 0.00 C ATOM 683 CD2 TYR A 45 2.007 13.673 10.364 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.439 12.721 8.206 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.885 14.507 9.698 1.00 0.00 C ATOM 686 CZ TYR A 45 3.598 14.027 8.620 1.00 0.00 C ATOM 687 OH TYR A 45 4.474 14.853 7.955 1.00 0.00 O ATOM 0 H TYR A 45 -0.040 9.764 12.507 1.00 0.00 H new ATOM 0 HA TYR A 45 1.805 9.561 10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.002 11.259 10.064 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.510 11.952 11.591 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.438 10.871 8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.450 14.052 11.208 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.999 12.347 7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.012 15.530 10.020 1.00 0.00 H new ATOM 0 HH TYR A 45 4.467 15.740 8.372 1.00 0.00 H new ATOM 697 N ASP A 46 3.884 10.388 11.323 1.00 0.00 N ATOM 698 CA ASP A 46 5.142 10.622 12.025 1.00 0.00 C ATOM 699 C ASP A 46 5.859 11.844 11.453 1.00 0.00 C ATOM 700 O ASP A 46 6.764 11.718 10.628 1.00 0.00 O ATOM 701 CB ASP A 46 6.043 9.389 11.924 1.00 0.00 C ATOM 702 CG ASP A 46 7.366 9.572 12.644 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.582 10.659 13.223 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.187 8.632 12.627 1.00 0.00 O ATOM 0 H ASP A 46 3.981 10.269 10.315 1.00 0.00 H new ATOM 0 HA ASP A 46 4.919 10.811 13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.522 8.528 12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.233 9.167 10.874 1.00 0.00 H new ATOM 709 N ASP A 47 5.435 13.025 11.891 1.00 0.00 N ATOM 710 CA ASP A 47 6.016 14.284 11.424 1.00 0.00 C ATOM 711 C ASP A 47 7.545 14.241 11.431 1.00 0.00 C ATOM 712 O ASP A 47 8.194 14.819 10.560 1.00 0.00 O ATOM 713 CB ASP A 47 5.532 15.442 12.298 1.00 0.00 C ATOM 714 CG ASP A 47 4.022 15.580 12.290 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.335 14.616 12.687 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.528 16.654 11.887 1.00 0.00 O ATOM 0 H ASP A 47 4.686 13.139 12.574 1.00 0.00 H new ATOM 0 HA ASP A 47 5.687 14.435 10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.875 15.289 13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.981 16.371 11.947 1.00 0.00 H new ATOM 721 N ALA A 48 8.110 13.572 12.431 1.00 0.00 N ATOM 722 CA ALA A 48 9.561 13.474 12.569 1.00 0.00 C ATOM 723 C ALA A 48 10.240 13.035 11.272 1.00 0.00 C ATOM 724 O ALA A 48 11.360 13.454 10.982 1.00 0.00 O ATOM 725 CB ALA A 48 9.914 12.514 13.696 1.00 0.00 C ATOM 0 H ALA A 48 7.585 13.088 13.160 1.00 0.00 H new ATOM 0 HA ALA A 48 9.932 14.471 12.806 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.998 12.447 13.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.489 12.879 14.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.508 11.527 13.474 1.00 0.00 H new ATOM 731 N THR A 49 9.569 12.190 10.500 1.00 0.00 N ATOM 732 CA THR A 49 10.134 11.705 9.244 1.00 0.00 C ATOM 733 C THR A 49 9.171 11.895 8.074 1.00 0.00 C ATOM 734 O THR A 49 9.348 11.292 7.015 1.00 0.00 O ATOM 735 CB THR A 49 10.508 10.228 9.368 1.00 0.00 C ATOM 736 OG1 THR A 49 9.370 9.448 9.692 1.00 0.00 O ATOM 737 CG2 THR A 49 11.562 9.963 10.422 1.00 0.00 C ATOM 0 H THR A 49 8.641 11.828 10.717 1.00 0.00 H new ATOM 0 HA THR A 49 11.028 12.295 9.041 1.00 0.00 H new ATOM 0 HB THR A 49 10.913 9.950 8.395 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.283 9.385 10.666 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.781 8.896 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.471 10.511 10.174 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.195 10.291 11.394 1.00 0.00 H new ATOM 745 N LYS A 50 8.149 12.727 8.261 1.00 0.00 N ATOM 746 CA LYS A 50 7.169 12.971 7.205 1.00 0.00 C ATOM 747 C LYS A 50 6.614 11.650 6.683 1.00 0.00 C ATOM 748 O LYS A 50 6.280 11.525 5.504 1.00 0.00 O ATOM 749 CB LYS A 50 7.808 13.752 6.053 1.00 0.00 C ATOM 750 CG LYS A 50 8.266 15.151 6.431 1.00 0.00 C ATOM 751 CD LYS A 50 7.090 16.041 6.796 1.00 0.00 C ATOM 752 CE LYS A 50 7.542 17.460 7.102 1.00 0.00 C ATOM 753 NZ LYS A 50 8.521 17.502 8.223 1.00 0.00 N ATOM 0 H LYS A 50 7.978 13.240 9.126 1.00 0.00 H new ATOM 0 HA LYS A 50 6.353 13.560 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.663 13.190 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.091 13.825 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.956 15.094 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.814 15.593 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.374 16.055 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.574 15.627 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.992 17.898 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.675 18.071 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.650 18.486 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.165 16.931 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.433 17.119 7.902 1.00 0.00 H new ATOM 767 N THR A 51 6.529 10.662 7.568 1.00 0.00 N ATOM 768 CA THR A 51 6.029 9.345 7.198 1.00 0.00 C ATOM 769 C THR A 51 4.622 9.117 7.742 1.00 0.00 C ATOM 770 O THR A 51 4.250 9.673 8.774 1.00 0.00 O ATOM 771 CB THR A 51 6.974 8.263 7.722 1.00 0.00 C ATOM 772 OG1 THR A 51 8.268 8.412 7.163 1.00 0.00 O ATOM 773 CG2 THR A 51 6.505 6.856 7.422 1.00 0.00 C ATOM 0 H THR A 51 6.801 10.750 8.547 1.00 0.00 H new ATOM 0 HA THR A 51 5.984 9.291 6.110 1.00 0.00 H new ATOM 0 HB THR A 51 6.991 8.398 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.875 8.784 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.223 6.140 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.532 6.691 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.422 6.722 6.343 1.00 0.00 H new ATOM 781 N PHE A 52 3.846 8.287 7.045 1.00 0.00 N ATOM 782 CA PHE A 52 2.484 7.984 7.471 1.00 0.00 C ATOM 783 C PHE A 52 2.268 6.483 7.627 1.00 0.00 C ATOM 784 O PHE A 52 1.974 5.779 6.661 1.00 0.00 O ATOM 785 CB PHE A 52 1.463 8.527 6.478 1.00 0.00 C ATOM 786 CG PHE A 52 1.560 10.003 6.231 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.600 10.526 5.479 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.605 10.870 6.741 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.687 11.884 5.244 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.687 12.229 6.506 1.00 0.00 C ATOM 791 CZ PHE A 52 1.729 12.736 5.756 1.00 0.00 C ATOM 0 H PHE A 52 4.137 7.816 6.188 1.00 0.00 H new ATOM 0 HA PHE A 52 2.344 8.468 8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.584 8.004 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.462 8.298 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.351 9.864 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.212 10.478 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.505 12.280 4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.063 12.894 6.909 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.795 13.798 5.570 1.00 0.00 H new ATOM 801 N THR A 53 2.413 6.013 8.850 1.00 0.00 N ATOM 802 CA THR A 53 2.230 4.596 9.148 1.00 0.00 C ATOM 803 C THR A 53 0.757 4.206 9.159 1.00 0.00 C ATOM 804 O THR A 53 -0.050 4.779 9.892 1.00 0.00 O ATOM 805 CB THR A 53 2.892 4.206 10.470 1.00 0.00 C ATOM 806 OG1 THR A 53 2.725 5.219 11.445 1.00 0.00 O ATOM 807 CG2 THR A 53 4.368 3.898 10.334 1.00 0.00 C ATOM 0 H THR A 53 2.657 6.587 9.657 1.00 0.00 H new ATOM 0 HA THR A 53 2.720 4.044 8.346 1.00 0.00 H new ATOM 0 HB THR A 53 2.387 3.293 10.786 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.779 5.280 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.775 3.629 11.309 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.504 3.067 9.642 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.889 4.776 9.953 1.00 0.00 H new ATOM 815 N VAL A 54 0.429 3.203 8.350 1.00 0.00 N ATOM 816 CA VAL A 54 -0.929 2.689 8.258 1.00 0.00 C ATOM 817 C VAL A 54 -0.993 1.318 8.916 1.00 0.00 C ATOM 818 O VAL A 54 -0.611 0.312 8.316 1.00 0.00 O ATOM 819 CB VAL A 54 -1.407 2.585 6.794 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.832 2.054 6.728 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.306 3.938 6.103 1.00 0.00 C ATOM 0 H VAL A 54 1.096 2.727 7.743 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.589 3.387 8.772 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.758 1.882 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.148 1.989 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.873 1.064 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.497 2.728 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.647 3.846 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.929 4.662 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.270 4.276 6.114 1.00 0.00 H new ATOM 831 N THR A 55 -1.452 1.288 10.159 1.00 0.00 N ATOM 832 CA THR A 55 -1.533 0.040 10.902 1.00 0.00 C ATOM 833 C THR A 55 -2.896 -0.623 10.734 1.00 0.00 C ATOM 834 O THR A 55 -3.921 -0.076 11.141 1.00 0.00 O ATOM 835 CB THR A 55 -1.235 0.273 12.380 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.158 1.181 12.533 1.00 0.00 O ATOM 837 CG2 THR A 55 -0.855 -0.996 13.109 1.00 0.00 C ATOM 0 H THR A 55 -1.772 2.110 10.672 1.00 0.00 H new ATOM 0 HA THR A 55 -0.780 -0.635 10.495 1.00 0.00 H new ATOM 0 HB THR A 55 -2.156 0.669 12.807 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.019 1.321 13.487 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.654 -0.768 14.156 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.674 -1.712 13.044 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.038 -1.424 12.653 1.00 0.00 H new ATOM 845 N GLU A 56 -2.894 -1.810 10.132 1.00 0.00 N ATOM 846 CA GLU A 56 -4.121 -2.566 9.903 1.00 0.00 C ATOM 847 C GLU A 56 -4.924 -2.700 11.195 1.00 0.00 C ATOM 848 O GLU A 56 -6.165 -2.567 11.135 1.00 0.00 O ATOM 849 CB GLU A 56 -3.778 -3.951 9.340 1.00 0.00 C ATOM 850 CG GLU A 56 -4.990 -4.788 8.946 1.00 0.00 C ATOM 851 CD GLU A 56 -5.865 -5.167 10.125 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.360 -5.836 11.050 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.058 -4.794 10.122 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.306 -2.937 12.254 1.00 0.00 O ATOM 0 H GLU A 56 -2.050 -2.271 9.792 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.734 -2.028 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.138 -3.826 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.199 -4.499 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.587 -4.232 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.650 -5.696 8.448 1.00 0.00 H new ATOM 862 N MET B 1 6.430 18.979 -1.913 1.00 0.00 N ATOM 863 CA MET B 1 7.438 18.069 -1.308 1.00 0.00 C ATOM 864 C MET B 1 7.009 16.610 -1.445 1.00 0.00 C ATOM 865 O MET B 1 5.862 16.320 -1.786 1.00 0.00 O ATOM 866 CB MET B 1 7.602 18.446 0.167 1.00 0.00 C ATOM 867 CG MET B 1 8.674 17.644 0.890 1.00 0.00 C ATOM 868 SD MET B 1 8.995 18.257 2.555 1.00 0.00 S ATOM 869 CE MET B 1 7.372 18.105 3.292 1.00 0.00 C ATOM 0 H1 MET B 1 6.896 19.855 -2.225 1.00 0.00 H new ATOM 0 H2 MET B 1 5.987 18.512 -2.730 1.00 0.00 H new ATOM 0 H3 MET B 1 5.701 19.207 -1.208 1.00 0.00 H new ATOM 0 HA MET B 1 8.389 18.178 -1.829 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.846 19.506 0.237 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.649 18.304 0.677 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.366 16.600 0.944 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.597 17.674 0.311 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.413 18.430 4.332 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.664 18.727 2.745 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.049 17.065 3.250 1.00 0.00 H new ATOM 881 N GLN B 2 7.928 15.696 -1.159 1.00 0.00 N ATOM 882 CA GLN B 2 7.638 14.271 -1.236 1.00 0.00 C ATOM 883 C GLN B 2 7.420 13.701 0.160 1.00 0.00 C ATOM 884 O GLN B 2 8.068 14.122 1.118 1.00 0.00 O ATOM 885 CB GLN B 2 8.780 13.525 -1.931 1.00 0.00 C ATOM 886 CG GLN B 2 8.542 12.027 -2.052 1.00 0.00 C ATOM 887 CD GLN B 2 9.681 11.310 -2.751 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.824 11.339 -2.292 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.376 10.654 -3.866 1.00 0.00 N ATOM 0 H GLN B 2 8.881 15.917 -0.871 1.00 0.00 H new ATOM 0 HA GLN B 2 6.728 14.138 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.924 13.944 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.704 13.695 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.407 11.603 -1.057 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.617 11.853 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.417 10.655 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.101 10.149 -4.375 1.00 0.00 H new ATOM 898 N TYR B 3 6.505 12.746 0.275 1.00 0.00 N ATOM 899 CA TYR B 3 6.215 12.133 1.560 1.00 0.00 C ATOM 900 C TYR B 3 6.226 10.616 1.449 1.00 0.00 C ATOM 901 O TYR B 3 5.880 10.055 0.411 1.00 0.00 O ATOM 902 CB TYR B 3 4.858 12.608 2.083 1.00 0.00 C ATOM 903 CG TYR B 3 4.778 14.103 2.301 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.917 14.989 1.240 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.557 14.627 3.569 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.840 16.356 1.436 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.477 15.992 3.773 1.00 0.00 C ATOM 908 CZ TYR B 3 4.620 16.851 2.704 1.00 0.00 C ATOM 909 OH TYR B 3 4.540 18.211 2.903 1.00 0.00 O ATOM 0 H TYR B 3 5.955 12.383 -0.503 1.00 0.00 H new ATOM 0 HA TYR B 3 6.991 12.435 2.263 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.083 12.311 1.377 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.644 12.101 3.024 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.088 14.604 0.246 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.446 13.957 4.409 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.952 17.032 0.601 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.303 16.383 4.764 1.00 0.00 H new ATOM 0 HH TYR B 3 4.381 18.394 3.853 1.00 0.00 H new ATOM 919 N LYS B 4 6.614 9.957 2.532 1.00 0.00 N ATOM 920 CA LYS B 4 6.659 8.505 2.563 1.00 0.00 C ATOM 921 C LYS B 4 5.523 7.969 3.425 1.00 0.00 C ATOM 922 O LYS B 4 5.062 8.638 4.348 1.00 0.00 O ATOM 923 CB LYS B 4 8.018 8.026 3.082 1.00 0.00 C ATOM 924 CG LYS B 4 8.117 6.517 3.252 1.00 0.00 C ATOM 925 CD LYS B 4 9.566 6.039 3.307 1.00 0.00 C ATOM 926 CE LYS B 4 10.366 6.739 4.398 1.00 0.00 C ATOM 927 NZ LYS B 4 10.671 8.156 4.053 1.00 0.00 N ATOM 0 H LYS B 4 6.902 10.407 3.401 1.00 0.00 H new ATOM 0 HA LYS B 4 6.532 8.121 1.551 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.796 8.356 2.393 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.218 8.504 4.041 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.603 6.221 4.167 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.605 6.025 2.425 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.585 4.963 3.480 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.041 6.215 2.342 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.807 6.707 5.333 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.298 6.199 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.658 8.369 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.532 8.302 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.036 8.787 4.583 1.00 0.00 H new ATOM 941 N VAL B 5 5.063 6.767 3.107 1.00 0.00 N ATOM 942 CA VAL B 5 3.971 6.151 3.842 1.00 0.00 C ATOM 943 C VAL B 5 4.284 4.692 4.158 1.00 0.00 C ATOM 944 O VAL B 5 4.520 3.886 3.259 1.00 0.00 O ATOM 945 CB VAL B 5 2.644 6.235 3.051 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.500 5.602 3.834 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.320 7.681 2.701 1.00 0.00 C ATOM 0 H VAL B 5 5.431 6.200 2.343 1.00 0.00 H new ATOM 0 HA VAL B 5 3.857 6.702 4.775 1.00 0.00 H new ATOM 0 HB VAL B 5 2.767 5.675 2.124 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.579 5.675 3.255 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.727 4.553 4.025 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.375 6.125 4.782 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.383 7.720 2.145 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.223 8.264 3.617 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.122 8.096 2.090 1.00 0.00 H new ATOM 957 N ILE B 6 4.278 4.361 5.440 1.00 0.00 N ATOM 958 CA ILE B 6 4.550 3.000 5.873 1.00 0.00 C ATOM 959 C ILE B 6 3.247 2.238 6.054 1.00 0.00 C ATOM 960 O ILE B 6 2.355 2.676 6.776 1.00 0.00 O ATOM 961 CB ILE B 6 5.359 2.975 7.188 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.736 3.603 6.973 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.501 1.552 7.706 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.573 3.676 8.229 1.00 0.00 C ATOM 0 H ILE B 6 4.088 5.016 6.198 1.00 0.00 H new ATOM 0 HA ILE B 6 5.148 2.519 5.099 1.00 0.00 H new ATOM 0 HB ILE B 6 4.820 3.558 7.935 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.275 3.027 6.221 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.608 4.609 6.573 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.074 1.558 8.633 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.512 1.133 7.893 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.018 0.944 6.963 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.536 4.133 7.999 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.056 4.277 8.977 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.732 2.671 8.619 1.00 0.00 H new ATOM 976 N LEU B 7 3.132 1.105 5.378 1.00 0.00 N ATOM 977 CA LEU B 7 1.925 0.297 5.456 1.00 0.00 C ATOM 978 C LEU B 7 2.171 -0.950 6.308 1.00 0.00 C ATOM 979 O LEU B 7 2.513 -2.011 5.788 1.00 0.00 O ATOM 980 CB LEU B 7 1.473 -0.084 4.041 1.00 0.00 C ATOM 981 CG LEU B 7 1.585 1.034 3.007 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.106 0.551 1.646 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.793 2.251 3.457 1.00 0.00 C ATOM 0 H LEU B 7 3.858 0.725 4.771 1.00 0.00 H new ATOM 0 HA LEU B 7 1.133 0.875 5.933 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.066 -0.933 3.702 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.436 -0.417 4.084 1.00 0.00 H new ATOM 0 HG LEU B 7 2.633 1.321 2.916 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.193 1.361 0.921 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.717 -0.292 1.323 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.064 0.238 1.717 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.882 3.040 2.710 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.256 1.979 3.574 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.184 2.608 4.410 1.00 0.00 H new ATOM 995 N ASN B 8 2.008 -0.805 7.625 1.00 0.00 N ATOM 996 CA ASN B 8 2.224 -1.911 8.556 1.00 0.00 C ATOM 997 C ASN B 8 0.927 -2.653 8.867 1.00 0.00 C ATOM 998 O ASN B 8 0.053 -2.127 9.548 1.00 0.00 O ATOM 999 CB ASN B 8 2.833 -1.394 9.867 1.00 0.00 C ATOM 1000 CG ASN B 8 4.277 -0.931 9.732 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.854 -1.071 8.543 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.871 -0.454 10.698 1.00 0.00 N flip ATOM 0 H ASN B 8 1.727 0.069 8.070 1.00 0.00 H new ATOM 0 HA ASN B 8 2.912 -2.606 8.074 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.228 -0.565 10.236 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.783 -2.184 10.617 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.395 -0.362 11.595 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.840 -0.150 10.602 1.00 0.00 H new ATOM 1009 N GLY B 9 0.807 -3.880 8.371 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.391 -4.660 8.624 1.00 0.00 C ATOM 1011 C GLY B 9 -0.111 -5.912 9.427 1.00 0.00 C ATOM 1012 O GLY B 9 0.960 -6.059 10.015 1.00 0.00 O ATOM 0 H GLY B 9 1.513 -4.346 7.802 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.115 -4.044 9.158 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.847 -4.937 7.674 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.084 -6.813 9.450 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.954 -8.063 10.180 1.00 0.00 C ATOM 1018 C LYS B 10 -0.056 -9.033 9.423 1.00 0.00 C ATOM 1019 O LYS B 10 0.956 -9.501 9.946 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.332 -8.694 10.384 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.377 -7.714 10.894 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.953 -7.054 12.198 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.041 -8.012 13.376 1.00 0.00 C ATOM 1024 NZ LYS B 10 -2.035 -9.107 13.294 1.00 0.00 N ATOM 0 H LYS B 10 -1.976 -6.699 8.968 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.505 -7.851 11.150 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.673 -9.117 9.439 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.244 -9.520 11.090 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.553 -6.947 10.140 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.322 -8.237 11.043 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.931 -6.688 12.104 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.585 -6.187 12.388 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.896 -7.458 14.303 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.041 -8.443 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.707 -9.350 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.468 -9.944 12.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -1.226 -8.793 12.720 1.00 0.00 H new ATOM 1038 N THR B 11 -0.446 -9.339 8.191 1.00 0.00 N ATOM 1039 CA THR B 11 0.294 -10.259 7.348 1.00 0.00 C ATOM 1040 C THR B 11 0.993 -9.527 6.212 1.00 0.00 C ATOM 1041 O THR B 11 1.529 -10.155 5.299 1.00 0.00 O ATOM 1042 CB THR B 11 -0.670 -11.289 6.768 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.866 -10.661 6.347 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.042 -12.386 7.739 1.00 0.00 C ATOM 0 H THR B 11 -1.283 -8.955 7.753 1.00 0.00 H new ATOM 0 HA THR B 11 1.054 -10.749 7.956 1.00 0.00 H new ATOM 0 HB THR B 11 -0.140 -11.743 5.931 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.632 -11.227 6.578 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.730 -13.081 7.257 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.143 -12.920 8.047 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.522 -11.949 8.615 1.00 0.00 H new ATOM 1052 N LEU B 12 0.978 -8.202 6.259 1.00 0.00 N ATOM 1053 CA LEU B 12 1.603 -7.411 5.217 1.00 0.00 C ATOM 1054 C LEU B 12 2.328 -6.201 5.793 1.00 0.00 C ATOM 1055 O LEU B 12 1.834 -5.537 6.704 1.00 0.00 O ATOM 1056 CB LEU B 12 0.552 -6.974 4.195 1.00 0.00 C ATOM 1057 CG LEU B 12 1.090 -6.162 3.024 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.276 -6.879 2.407 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.002 -5.931 1.985 1.00 0.00 C ATOM 0 H LEU B 12 0.542 -7.658 7.004 1.00 0.00 H new ATOM 0 HA LEU B 12 2.349 -8.031 4.719 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.056 -7.862 3.804 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.208 -6.384 4.708 1.00 0.00 H new ATOM 0 HG LEU B 12 1.416 -5.188 3.389 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.658 -6.295 1.570 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.060 -6.996 3.155 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.963 -7.861 2.052 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.407 -5.349 1.157 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.356 -6.891 1.613 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.826 -5.387 2.440 1.00 0.00 H new ATOM 1071 N LYS B 13 3.503 -5.920 5.240 1.00 0.00 N ATOM 1072 CA LYS B 13 4.311 -4.786 5.673 1.00 0.00 C ATOM 1073 C LYS B 13 5.045 -4.183 4.480 1.00 0.00 C ATOM 1074 O LYS B 13 5.421 -4.903 3.558 1.00 0.00 O ATOM 1075 CB LYS B 13 5.324 -5.213 6.739 1.00 0.00 C ATOM 1076 CG LYS B 13 4.717 -6.012 7.881 1.00 0.00 C ATOM 1077 CD LYS B 13 4.633 -7.494 7.551 1.00 0.00 C ATOM 1078 CE LYS B 13 3.965 -8.273 8.672 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.705 -8.142 9.959 1.00 0.00 N ATOM 0 H LYS B 13 3.919 -6.466 4.486 1.00 0.00 H new ATOM 0 HA LYS B 13 3.646 -4.039 6.106 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.105 -5.809 6.266 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.805 -4.324 7.146 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.317 -5.873 8.781 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.720 -5.631 8.101 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.073 -7.631 6.626 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.635 -7.888 7.379 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.943 -7.916 8.803 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.902 -9.325 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.343 -8.839 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.718 -8.311 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.571 -7.184 10.340 1.00 0.00 H new ATOM 1093 N GLY B 14 5.255 -2.870 4.496 1.00 0.00 N ATOM 1094 CA GLY B 14 5.949 -2.236 3.389 1.00 0.00 C ATOM 1095 C GLY B 14 6.091 -0.735 3.540 1.00 0.00 C ATOM 1096 O GLY B 14 5.879 -0.183 4.621 1.00 0.00 O ATOM 0 H GLY B 14 4.962 -2.241 5.244 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.941 -2.678 3.292 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.413 -2.450 2.465 1.00 0.00 H new ATOM 1100 N GLU B 15 6.456 -0.077 2.441 1.00 0.00 N ATOM 1101 CA GLU B 15 6.636 1.370 2.428 1.00 0.00 C ATOM 1102 C GLU B 15 6.298 1.944 1.054 1.00 0.00 C ATOM 1103 O GLU B 15 6.411 1.258 0.037 1.00 0.00 O ATOM 1104 CB GLU B 15 8.074 1.732 2.804 1.00 0.00 C ATOM 1105 CG GLU B 15 8.493 1.225 4.174 1.00 0.00 C ATOM 1106 CD GLU B 15 9.926 1.582 4.518 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.245 2.788 4.556 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.729 0.653 4.748 1.00 0.00 O ATOM 0 H GLU B 15 6.633 -0.528 1.544 1.00 0.00 H new ATOM 0 HA GLU B 15 5.958 1.803 3.163 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.750 1.324 2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.185 2.816 2.778 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.828 1.642 4.930 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.375 0.142 4.208 1.00 0.00 H new ATOM 1115 N THR B 16 5.879 3.202 1.035 1.00 0.00 N ATOM 1116 CA THR B 16 5.513 3.878 -0.205 1.00 0.00 C ATOM 1117 C THR B 16 5.759 5.384 -0.093 1.00 0.00 C ATOM 1118 O THR B 16 6.047 5.885 0.988 1.00 0.00 O ATOM 1119 CB THR B 16 4.054 3.576 -0.556 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.551 4.539 -1.445 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.134 3.529 0.643 1.00 0.00 C ATOM 0 H THR B 16 5.783 3.780 1.870 1.00 0.00 H new ATOM 0 HA THR B 16 6.142 3.502 -1.011 1.00 0.00 H new ATOM 0 HB THR B 16 4.070 2.585 -1.009 1.00 0.00 H new ATOM 0 HG1 THR B 16 3.124 4.091 -2.205 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.118 3.310 0.314 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.469 2.750 1.328 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.151 4.492 1.152 1.00 0.00 H new ATOM 1129 N THR B 17 5.678 6.105 -1.216 1.00 0.00 N ATOM 1130 CA THR B 17 5.933 7.549 -1.205 1.00 0.00 C ATOM 1131 C THR B 17 5.005 8.330 -2.141 1.00 0.00 C ATOM 1132 O THR B 17 5.003 8.120 -3.354 1.00 0.00 O ATOM 1133 CB THR B 17 7.384 7.824 -1.591 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.696 7.219 -2.834 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.386 7.325 -0.572 1.00 0.00 C ATOM 0 H THR B 17 5.442 5.720 -2.131 1.00 0.00 H new ATOM 0 HA THR B 17 5.734 7.892 -0.190 1.00 0.00 H new ATOM 0 HB THR B 17 7.463 8.910 -1.648 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.888 7.170 -3.386 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.396 7.555 -0.912 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.206 7.814 0.385 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.279 6.247 -0.455 1.00 0.00 H new ATOM 1143 N THR B 18 4.233 9.246 -1.557 1.00 0.00 N ATOM 1144 CA THR B 18 3.305 10.087 -2.311 1.00 0.00 C ATOM 1145 C THR B 18 3.821 11.526 -2.385 1.00 0.00 C ATOM 1146 O THR B 18 4.370 12.049 -1.414 1.00 0.00 O ATOM 1147 CB THR B 18 1.926 10.075 -1.648 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.975 10.723 -2.473 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.904 10.756 -0.295 1.00 0.00 C ATOM 0 H THR B 18 4.233 9.425 -0.553 1.00 0.00 H new ATOM 0 HA THR B 18 3.226 9.686 -3.322 1.00 0.00 H new ATOM 0 HB THR B 18 1.679 9.023 -1.507 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.207 10.580 -3.414 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.896 10.711 0.118 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.595 10.250 0.378 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.204 11.798 -0.407 1.00 0.00 H new ATOM 1157 N GLU B 19 3.630 12.161 -3.533 1.00 0.00 N ATOM 1158 CA GLU B 19 4.059 13.544 -3.737 1.00 0.00 C ATOM 1159 C GLU B 19 2.876 14.488 -3.546 1.00 0.00 C ATOM 1160 O GLU B 19 1.953 14.501 -4.359 1.00 0.00 O ATOM 1161 CB GLU B 19 4.642 13.701 -5.145 1.00 0.00 C ATOM 1162 CG GLU B 19 4.953 15.138 -5.538 1.00 0.00 C ATOM 1163 CD GLU B 19 5.972 15.794 -4.629 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.073 15.229 -4.463 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.672 16.881 -4.094 1.00 0.00 O ATOM 0 H GLU B 19 3.178 11.740 -4.344 1.00 0.00 H new ATOM 0 HA GLU B 19 4.828 13.795 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.556 13.112 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.938 13.284 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.324 15.156 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.032 15.721 -5.522 1.00 0.00 H new ATOM 1172 N ALA B 20 2.889 15.270 -2.465 1.00 0.00 N ATOM 1173 CA ALA B 20 1.794 16.192 -2.192 1.00 0.00 C ATOM 1174 C ALA B 20 2.278 17.471 -1.507 1.00 0.00 C ATOM 1175 O ALA B 20 3.250 17.461 -0.754 1.00 0.00 O ATOM 1176 CB ALA B 20 0.742 15.500 -1.339 1.00 0.00 C ATOM 0 H ALA B 20 3.639 15.281 -1.773 1.00 0.00 H new ATOM 0 HA ALA B 20 1.357 16.484 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.075 16.192 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.357 14.630 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.189 15.181 -0.397 1.00 0.00 H new ATOM 1182 N VAL B 21 1.596 18.571 -1.806 1.00 0.00 N ATOM 1183 CA VAL B 21 1.941 19.885 -1.261 1.00 0.00 C ATOM 1184 C VAL B 21 2.083 19.863 0.263 1.00 0.00 C ATOM 1185 O VAL B 21 2.928 20.562 0.822 1.00 0.00 O ATOM 1186 CB VAL B 21 0.883 20.937 -1.640 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.341 22.330 -1.236 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.577 20.874 -3.129 1.00 0.00 C ATOM 0 H VAL B 21 0.790 18.580 -2.431 1.00 0.00 H new ATOM 0 HA VAL B 21 2.904 20.150 -1.698 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.035 20.714 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.579 23.058 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.499 22.363 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.274 22.569 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.173 21.625 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.487 21.068 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.197 19.884 -3.381 1.00 0.00 H new ATOM 1198 N ASP B 22 1.261 19.061 0.930 1.00 0.00 N ATOM 1199 CA ASP B 22 1.320 18.968 2.387 1.00 0.00 C ATOM 1200 C ASP B 22 0.924 17.578 2.872 1.00 0.00 C ATOM 1201 O ASP B 22 0.491 16.735 2.087 1.00 0.00 O ATOM 1202 CB ASP B 22 0.425 20.033 3.033 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.047 19.813 2.754 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.586 18.785 3.209 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.659 20.668 2.081 1.00 0.00 O ATOM 0 H ASP B 22 0.553 18.471 0.493 1.00 0.00 H new ATOM 0 HA ASP B 22 2.352 19.148 2.688 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.589 20.034 4.111 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.716 21.017 2.665 1.00 0.00 H new ATOM 1210 N ALA B 23 1.088 17.341 4.171 1.00 0.00 N ATOM 1211 CA ALA B 23 0.760 16.049 4.761 1.00 0.00 C ATOM 1212 C ALA B 23 -0.696 15.681 4.524 1.00 0.00 C ATOM 1213 O ALA B 23 -1.005 14.541 4.189 1.00 0.00 O ATOM 1214 CB ALA B 23 1.071 16.054 6.250 1.00 0.00 C ATOM 0 H ALA B 23 1.446 18.028 4.834 1.00 0.00 H new ATOM 0 HA ALA B 23 1.376 15.294 4.273 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.821 15.083 6.677 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.132 16.254 6.399 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.483 16.829 6.742 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.586 16.647 4.696 1.00 0.00 N ATOM 1221 CA ALA B 24 -3.008 16.402 4.486 1.00 0.00 C ATOM 1222 C ALA B 24 -3.260 16.017 3.037 1.00 0.00 C ATOM 1223 O ALA B 24 -3.828 14.963 2.758 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.827 17.623 4.876 1.00 0.00 C ATOM 0 H ALA B 24 -1.354 17.599 4.978 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.320 15.575 5.123 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.885 17.419 4.712 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.661 17.852 5.929 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.523 18.475 4.267 1.00 0.00 H new ATOM 1230 N THR B 25 -2.804 16.859 2.115 1.00 0.00 N ATOM 1231 CA THR B 25 -2.952 16.582 0.700 1.00 0.00 C ATOM 1232 C THR B 25 -2.372 15.211 0.402 1.00 0.00 C ATOM 1233 O THR B 25 -2.999 14.389 -0.267 1.00 0.00 O ATOM 1234 CB THR B 25 -2.241 17.651 -0.126 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.865 17.701 0.193 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.812 19.039 0.066 1.00 0.00 C ATOM 0 H THR B 25 -2.330 17.737 2.327 1.00 0.00 H new ATOM 0 HA THR B 25 -4.009 16.595 0.434 1.00 0.00 H new ATOM 0 HB THR B 25 -2.393 17.358 -1.165 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.734 17.417 1.122 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.259 19.748 -0.550 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.862 19.044 -0.227 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.727 19.326 1.114 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.186 14.960 0.947 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.536 13.671 0.781 1.00 0.00 C ATOM 1246 C ALA B 26 -1.443 12.587 1.344 1.00 0.00 C ATOM 1247 O ALA B 26 -1.789 11.630 0.652 1.00 0.00 O ATOM 1248 CB ALA B 26 0.817 13.661 1.478 1.00 0.00 C ATOM 0 H ALA B 26 -0.659 15.632 1.505 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.362 13.482 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.289 12.688 1.343 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.453 14.435 1.049 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.680 13.853 2.542 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.845 12.760 2.603 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.735 11.818 3.265 1.00 0.00 C ATOM 1256 C GLU B 27 -3.926 11.499 2.369 1.00 0.00 C ATOM 1257 O GLU B 27 -4.255 10.334 2.144 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.221 12.400 4.594 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.171 11.489 5.350 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.599 12.070 6.683 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.196 13.166 6.689 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.339 11.426 7.723 1.00 0.00 O ATOM 0 H GLU B 27 -1.564 13.550 3.184 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.186 10.897 3.461 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.358 12.613 5.224 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.719 13.351 4.403 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -5.054 11.303 4.739 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.690 10.525 5.516 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.555 12.547 1.843 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.694 12.380 0.952 1.00 0.00 C ATOM 1271 C LYS B 28 -5.269 11.606 -0.285 1.00 0.00 C ATOM 1272 O LYS B 28 -5.947 10.673 -0.713 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.268 13.741 0.550 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.798 14.545 1.725 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.828 13.754 2.513 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.356 14.551 3.695 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.008 15.818 3.263 1.00 0.00 N ATOM 0 H LYS B 28 -4.294 13.517 2.019 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.470 11.822 1.476 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.494 14.318 0.044 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.073 13.589 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.972 14.825 2.379 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.246 15.471 1.363 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.656 13.479 1.859 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.381 12.826 2.869 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.072 13.945 4.251 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.535 14.779 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.557 16.213 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.280 16.501 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.643 15.626 2.462 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.126 11.991 -0.844 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.592 11.324 -2.021 1.00 0.00 C ATOM 1293 C VAL B 29 -3.385 9.846 -1.736 1.00 0.00 C ATOM 1294 O VAL B 29 -3.675 8.994 -2.575 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.259 11.956 -2.470 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.695 11.228 -3.679 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.445 13.438 -2.768 1.00 0.00 C ATOM 0 H VAL B 29 -3.554 12.762 -0.499 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.316 11.443 -2.827 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.542 11.858 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.755 11.692 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.519 10.183 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.406 11.287 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.494 13.868 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.180 13.560 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.794 13.949 -1.870 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.913 9.546 -0.532 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.704 8.168 -0.125 1.00 0.00 C ATOM 1309 C VAL B 30 -4.059 7.487 0.028 1.00 0.00 C ATOM 1310 O VAL B 30 -4.302 6.431 -0.550 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.919 8.080 1.198 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.741 6.630 1.632 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.567 8.767 1.061 1.00 0.00 C ATOM 0 H VAL B 30 -2.669 10.239 0.176 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.113 7.666 -0.891 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.494 8.594 1.968 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.184 6.596 2.568 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.719 6.170 1.775 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.193 6.085 0.864 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.025 8.696 2.004 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.010 8.281 0.274 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.716 9.816 0.807 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.958 8.112 0.793 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.296 7.564 0.983 1.00 0.00 C ATOM 1325 C LYS B 31 -6.918 7.226 -0.362 1.00 0.00 C ATOM 1326 O LYS B 31 -7.534 6.174 -0.527 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.186 8.542 1.751 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.955 8.516 3.252 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.861 9.498 3.976 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.799 9.303 5.484 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.421 9.486 6.017 1.00 0.00 N ATOM 0 H LYS B 31 -4.783 8.988 1.285 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.211 6.652 1.573 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.008 9.552 1.381 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.231 8.308 1.547 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.133 7.509 3.630 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.913 8.757 3.464 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.567 10.518 3.727 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.888 9.369 3.633 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.471 10.011 5.968 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.154 8.303 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.141 8.640 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.760 9.629 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.398 10.316 6.643 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.722 8.112 -1.333 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.239 7.884 -2.673 1.00 0.00 C ATOM 1347 C GLN B 32 -6.558 6.657 -3.264 1.00 0.00 C ATOM 1348 O GLN B 32 -7.177 5.856 -3.964 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.998 9.107 -3.561 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.589 8.974 -4.959 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.112 8.905 -4.982 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.758 9.121 -3.836 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.707 8.674 -6.035 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.212 8.988 -1.216 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.315 7.716 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.425 9.986 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.925 9.279 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.264 9.822 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.187 8.076 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.180 8.513 -6.894 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.726 8.643 -6.049 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.271 6.517 -2.954 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.473 5.389 -3.420 1.00 0.00 C ATOM 1364 C PHE B 33 -5.139 4.070 -3.026 1.00 0.00 C ATOM 1365 O PHE B 33 -5.504 3.261 -3.877 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.066 5.480 -2.811 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.083 4.510 -3.394 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.647 4.661 -4.698 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.594 3.448 -2.640 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.747 3.769 -5.243 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.690 2.558 -3.188 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.269 2.722 -4.493 1.00 0.00 C ATOM 0 H PHE B 33 -4.755 7.180 -2.375 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.399 5.422 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.687 6.492 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.135 5.309 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.014 5.484 -5.294 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.923 3.318 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.417 3.894 -6.264 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.314 1.736 -2.597 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.436 2.027 -4.924 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.300 3.879 -1.721 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.929 2.675 -1.184 1.00 0.00 C ATOM 1384 C PHE B 34 -7.413 2.649 -1.511 1.00 0.00 C ATOM 1385 O PHE B 34 -7.962 1.609 -1.873 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.679 2.591 0.315 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.214 2.556 0.616 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.394 1.652 -0.040 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.646 3.438 1.517 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.039 1.628 0.197 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.289 3.414 1.763 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.486 2.508 1.099 1.00 0.00 C ATOM 0 H PHE B 34 -5.002 4.547 -1.010 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.484 1.798 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.135 3.448 0.811 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.157 1.698 0.717 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.824 0.957 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.271 4.152 2.033 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.411 0.920 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.856 4.102 2.473 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.423 2.490 1.288 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.052 3.805 -1.413 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.469 3.921 -1.730 1.00 0.00 C ATOM 1404 C ASN B 35 -9.746 3.310 -3.101 1.00 0.00 C ATOM 1405 O ASN B 35 -10.774 2.671 -3.324 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.870 5.396 -1.740 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.331 5.605 -2.068 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.844 5.073 -3.053 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.999 6.402 -1.252 1.00 0.00 N ATOM 0 H ASN B 35 -7.613 4.676 -1.117 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.049 3.389 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.656 5.832 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.259 5.929 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.984 6.600 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.529 6.819 -0.449 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.806 3.530 -4.010 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.911 3.023 -5.374 1.00 0.00 C ATOM 1418 C ASP B 36 -8.205 1.676 -5.553 1.00 0.00 C ATOM 1419 O ASP B 36 -8.549 0.915 -6.456 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.351 4.046 -6.365 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.146 5.338 -6.371 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.244 5.981 -5.305 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.668 5.710 -7.444 1.00 0.00 O ATOM 0 H ASP B 36 -7.955 4.061 -3.826 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.970 2.862 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.313 4.262 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.353 3.616 -7.367 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.234 1.369 -4.692 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.528 0.089 -4.793 1.00 0.00 C ATOM 1430 C ASN B 37 -7.353 -1.013 -4.147 1.00 0.00 C ATOM 1431 O ASN B 37 -7.528 -2.088 -4.719 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.151 0.153 -4.120 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.185 1.075 -4.835 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.421 1.848 -4.070 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.101 1.069 -6.064 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.922 1.974 -3.932 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.384 -0.127 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.271 0.490 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.725 -0.850 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.707 0.460 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.425 1.673 -6.532 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.855 -0.712 -2.951 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.675 -1.633 -2.177 1.00 0.00 C ATOM 1444 C GLY B 38 -9.062 -2.922 -2.884 1.00 0.00 C ATOM 1445 O GLY B 38 -8.215 -3.777 -3.147 1.00 0.00 O ATOM 0 H GLY B 38 -7.701 0.185 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.139 -1.888 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.587 -1.116 -1.878 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.359 -3.091 -3.111 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.881 -4.319 -3.702 1.00 0.00 C ATOM 1451 C VAL B 39 -11.268 -4.207 -5.177 1.00 0.00 C ATOM 1452 O VAL B 39 -11.713 -5.195 -5.763 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.125 -4.785 -2.928 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.590 -6.151 -3.410 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.853 -4.801 -1.432 1.00 0.00 C ATOM 0 H VAL B 39 -11.070 -2.393 -2.895 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.059 -5.032 -3.636 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.928 -4.073 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.471 -6.456 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.839 -6.098 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.794 -6.880 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.746 -5.134 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.030 -5.483 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.587 -3.797 -1.100 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.117 -3.042 -5.797 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.486 -2.907 -7.208 1.00 0.00 C ATOM 1467 C ASP B 40 -10.331 -2.371 -8.055 1.00 0.00 C ATOM 1468 O ASP B 40 -10.544 -1.903 -9.174 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.701 -1.989 -7.350 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.918 -2.518 -6.616 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.817 -3.597 -5.994 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.974 -1.851 -6.661 1.00 0.00 O ATOM 0 H ASP B 40 -10.752 -2.195 -5.362 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.733 -3.903 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.451 -1.000 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.941 -1.870 -8.407 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.115 -2.435 -7.524 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.962 -1.941 -8.258 1.00 0.00 C ATOM 1479 C GLY B 41 -7.473 -2.909 -9.321 1.00 0.00 C ATOM 1480 O GLY B 41 -7.873 -4.073 -9.344 1.00 0.00 O ATOM 0 H GLY B 41 -8.906 -2.818 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.218 -0.992 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.151 -1.740 -7.557 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.590 -2.425 -10.194 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.023 -3.250 -11.259 1.00 0.00 C ATOM 1486 C GLU B 42 -4.685 -3.823 -10.812 1.00 0.00 C ATOM 1487 O GLU B 42 -3.668 -3.130 -10.825 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.840 -2.432 -12.540 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.130 -1.834 -13.081 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.635 -0.662 -12.257 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.921 -0.237 -11.325 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.738 -0.160 -12.557 1.00 0.00 O ATOM 0 H GLU B 42 -6.251 -1.463 -10.184 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.713 -4.067 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.131 -1.627 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.398 -3.069 -13.306 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.969 -1.506 -14.108 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.898 -2.607 -13.110 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.696 -5.080 -10.377 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.488 -5.726 -9.881 1.00 0.00 C ATOM 1501 C TRP B 43 -2.827 -6.635 -10.913 1.00 0.00 C ATOM 1502 O TRP B 43 -3.438 -7.584 -11.405 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.820 -6.564 -8.650 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.388 -5.789 -7.501 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.112 -4.627 -7.545 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.282 -6.141 -6.123 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.459 -4.244 -6.269 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.959 -5.160 -5.384 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.676 -7.200 -5.445 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.048 -5.205 -3.996 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.762 -7.244 -4.069 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.445 -6.252 -3.356 1.00 0.00 C ATOM 0 H TRP B 43 -5.528 -5.670 -10.359 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.788 -4.926 -9.641 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.532 -7.339 -8.936 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.914 -7.071 -8.317 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.372 -4.091 -8.446 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.000 -3.414 -6.024 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.149 -7.971 -5.988 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.574 -4.440 -3.444 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.295 -8.057 -3.533 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.497 -6.315 -2.279 1.00 0.00 H new ATOM 1523 N THR B 44 -1.559 -6.361 -11.202 1.00 0.00 N ATOM 1524 CA THR B 44 -0.787 -7.172 -12.135 1.00 0.00 C ATOM 1525 C THR B 44 0.273 -7.955 -11.363 1.00 0.00 C ATOM 1526 O THR B 44 0.926 -7.413 -10.473 1.00 0.00 O ATOM 1527 CB THR B 44 -0.132 -6.292 -13.201 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.687 -5.304 -12.604 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.133 -5.585 -14.089 1.00 0.00 C ATOM 0 H THR B 44 -1.042 -5.579 -10.800 1.00 0.00 H new ATOM 0 HA THR B 44 -1.455 -7.870 -12.641 1.00 0.00 H new ATOM 0 HB THR B 44 0.458 -6.973 -13.815 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.097 -4.753 -13.303 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.603 -4.978 -14.823 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.747 -6.323 -14.604 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.771 -4.944 -13.480 1.00 0.00 H new ATOM 1537 N TYR B 45 0.427 -9.236 -11.686 1.00 0.00 N ATOM 1538 CA TYR B 45 1.396 -10.083 -10.991 1.00 0.00 C ATOM 1539 C TYR B 45 2.635 -10.351 -11.842 1.00 0.00 C ATOM 1540 O TYR B 45 2.548 -10.492 -13.061 1.00 0.00 O ATOM 1541 CB TYR B 45 0.743 -11.410 -10.598 1.00 0.00 C ATOM 1542 CG TYR B 45 1.669 -12.344 -9.853 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.395 -11.901 -8.755 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.820 -13.666 -10.249 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.245 -12.749 -8.072 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.668 -14.521 -9.571 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.378 -14.059 -8.485 1.00 0.00 C ATOM 1548 OH TYR B 45 4.224 -14.907 -7.807 1.00 0.00 O ATOM 0 H TYR B 45 -0.102 -9.709 -12.419 1.00 0.00 H new ATOM 0 HA TYR B 45 1.716 -9.548 -10.097 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.130 -11.206 -9.977 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.384 -11.909 -11.498 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.293 -10.876 -8.430 1.00 0.00 H new ATOM 0 HD2 TYR B 45 1.266 -14.032 -11.101 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.802 -12.389 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.774 -15.547 -9.891 1.00 0.00 H new ATOM 0 HH TYR B 45 4.326 -15.740 -8.312 1.00 0.00 H new ATOM 1558 N ASP B 46 3.789 -10.430 -11.181 1.00 0.00 N ATOM 1559 CA ASP B 46 5.051 -10.694 -11.865 1.00 0.00 C ATOM 1560 C ASP B 46 5.730 -11.933 -11.283 1.00 0.00 C ATOM 1561 O ASP B 46 6.625 -11.830 -10.445 1.00 0.00 O ATOM 1562 CB ASP B 46 5.980 -9.483 -11.751 1.00 0.00 C ATOM 1563 CG ASP B 46 7.307 -9.697 -12.453 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.508 -10.787 -13.028 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.150 -8.774 -12.424 1.00 0.00 O ATOM 0 H ASP B 46 3.875 -10.315 -10.171 1.00 0.00 H new ATOM 0 HA ASP B 46 4.838 -10.878 -12.918 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.485 -8.609 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.161 -9.267 -10.698 1.00 0.00 H new ATOM 1570 N ASP B 47 5.285 -13.104 -11.728 1.00 0.00 N ATOM 1571 CA ASP B 47 5.828 -14.375 -11.253 1.00 0.00 C ATOM 1572 C ASP B 47 7.357 -14.370 -11.237 1.00 0.00 C ATOM 1573 O ASP B 47 7.979 -14.964 -10.357 1.00 0.00 O ATOM 1574 CB ASP B 47 5.327 -15.521 -12.133 1.00 0.00 C ATOM 1575 CG ASP B 47 3.815 -15.623 -12.148 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.158 -14.640 -12.556 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.286 -16.684 -11.754 1.00 0.00 O ATOM 0 H ASP B 47 4.544 -13.200 -12.422 1.00 0.00 H new ATOM 0 HA ASP B 47 5.482 -14.517 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.688 -15.378 -13.151 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.748 -16.461 -11.775 1.00 0.00 H new ATOM 1582 N ALA B 48 7.952 -13.716 -12.230 1.00 0.00 N ATOM 1583 CA ALA B 48 9.406 -13.652 -12.348 1.00 0.00 C ATOM 1584 C ALA B 48 10.078 -13.231 -11.042 1.00 0.00 C ATOM 1585 O ALA B 48 11.183 -13.677 -10.735 1.00 0.00 O ATOM 1586 CB ALA B 48 9.799 -12.702 -13.468 1.00 0.00 C ATOM 0 H ALA B 48 7.449 -13.222 -12.967 1.00 0.00 H new ATOM 0 HA ALA B 48 9.755 -14.658 -12.582 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.885 -12.662 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.380 -13.056 -14.410 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.414 -11.705 -13.252 1.00 0.00 H new ATOM 1592 N THR B 49 9.418 -12.369 -10.278 1.00 0.00 N ATOM 1593 CA THR B 49 9.977 -11.897 -9.014 1.00 0.00 C ATOM 1594 C THR B 49 8.992 -12.065 -7.857 1.00 0.00 C ATOM 1595 O THR B 49 9.168 -11.465 -6.798 1.00 0.00 O ATOM 1596 CB THR B 49 10.386 -10.429 -9.133 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.273 -9.622 -9.473 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.462 -10.190 -10.173 1.00 0.00 C ATOM 0 H THR B 49 8.502 -11.984 -10.508 1.00 0.00 H new ATOM 0 HA THR B 49 10.855 -12.506 -8.798 1.00 0.00 H new ATOM 0 HB THR B 49 10.782 -10.160 -8.154 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.212 -9.543 -10.448 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.706 -9.128 -10.207 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.354 -10.759 -9.911 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.101 -10.511 -11.150 1.00 0.00 H new ATOM 1606 N LYS B 50 7.954 -12.871 -8.061 1.00 0.00 N ATOM 1607 CA LYS B 50 6.952 -13.090 -7.019 1.00 0.00 C ATOM 1608 C LYS B 50 6.422 -11.755 -6.503 1.00 0.00 C ATOM 1609 O LYS B 50 6.075 -11.624 -5.330 1.00 0.00 O ATOM 1610 CB LYS B 50 7.557 -13.885 -5.858 1.00 0.00 C ATOM 1611 CG LYS B 50 7.985 -15.295 -6.229 1.00 0.00 C ATOM 1612 CD LYS B 50 6.793 -16.157 -6.609 1.00 0.00 C ATOM 1613 CE LYS B 50 7.214 -17.586 -6.911 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.209 -17.652 -8.017 1.00 0.00 N ATOM 0 H LYS B 50 7.784 -13.379 -8.929 1.00 0.00 H new ATOM 0 HA LYS B 50 6.128 -13.658 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.421 -13.344 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.828 -13.939 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.687 -15.256 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.511 -15.749 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.067 -16.154 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS B 50 6.297 -15.730 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.639 -18.036 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.336 -18.174 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.317 -18.638 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 7.880 -17.071 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.125 -17.292 -7.681 1.00 0.00 H new ATOM 1628 N THR B 51 6.375 -10.765 -7.389 1.00 0.00 N ATOM 1629 CA THR B 51 5.901 -9.437 -7.028 1.00 0.00 C ATOM 1630 C THR B 51 4.508 -9.175 -7.588 1.00 0.00 C ATOM 1631 O THR B 51 4.135 -9.725 -8.625 1.00 0.00 O ATOM 1632 CB THR B 51 6.879 -8.378 -7.537 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.160 -8.557 -6.961 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.438 -6.961 -7.242 1.00 0.00 C ATOM 0 H THR B 51 6.660 -10.860 -8.364 1.00 0.00 H new ATOM 0 HA THR B 51 5.842 -9.382 -5.941 1.00 0.00 H new ATOM 0 HB THR B 51 6.910 -8.514 -8.618 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.771 -8.929 -7.631 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.178 -6.261 -7.631 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.476 -6.773 -7.718 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.342 -6.827 -6.165 1.00 0.00 H new ATOM 1642 N PHE B 52 3.744 -8.326 -6.904 1.00 0.00 N ATOM 1643 CA PHE B 52 2.395 -7.990 -7.348 1.00 0.00 C ATOM 1644 C PHE B 52 2.219 -6.484 -7.506 1.00 0.00 C ATOM 1645 O PHE B 52 1.930 -5.772 -6.544 1.00 0.00 O ATOM 1646 CB PHE B 52 1.347 -8.508 -6.370 1.00 0.00 C ATOM 1647 CG PHE B 52 1.406 -9.988 -6.123 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.422 -10.536 -5.357 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.437 -10.830 -6.647 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.471 -11.896 -5.120 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.482 -12.190 -6.410 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.501 -12.724 -5.646 1.00 0.00 C ATOM 0 H PHE B 52 4.035 -7.861 -6.044 1.00 0.00 H new ATOM 0 HA PHE B 52 2.256 -8.470 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.467 -7.988 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.357 -8.255 -6.749 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.184 -9.893 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.361 -10.418 -7.247 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.269 -12.311 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.279 -12.836 -6.822 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.538 -13.787 -5.461 1.00 0.00 H new ATOM 1662 N THR B 53 2.392 -6.017 -8.728 1.00 0.00 N ATOM 1663 CA THR B 53 2.247 -4.597 -9.027 1.00 0.00 C ATOM 1664 C THR B 53 0.784 -4.172 -9.059 1.00 0.00 C ATOM 1665 O THR B 53 -0.026 -4.725 -9.803 1.00 0.00 O ATOM 1666 CB THR B 53 2.937 -4.223 -10.340 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.758 -5.231 -11.318 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.418 -3.951 -10.183 1.00 0.00 C ATOM 0 H THR B 53 2.633 -6.596 -9.532 1.00 0.00 H new ATOM 0 HA THR B 53 2.738 -4.057 -8.218 1.00 0.00 H new ATOM 0 HB THR B 53 2.460 -3.298 -10.663 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.846 -5.184 -11.673 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.845 -3.692 -11.152 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.564 -3.124 -9.489 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.912 -4.842 -9.795 1.00 0.00 H new ATOM 1676 N VAL B 54 0.469 -3.162 -8.255 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.878 -2.614 -8.183 1.00 0.00 C ATOM 1678 C VAL B 54 -0.898 -1.241 -8.841 1.00 0.00 C ATOM 1679 O VAL B 54 -0.501 -0.245 -8.236 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.373 -2.498 -6.724 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.785 -1.931 -6.679 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.315 -3.853 -6.035 1.00 0.00 C ATOM 0 H VAL B 54 1.138 -2.703 -7.638 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.549 -3.295 -8.708 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.715 -1.812 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.115 -1.857 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.794 -0.940 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.459 -2.589 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.667 -3.754 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.949 -4.560 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.287 -4.216 -6.033 1.00 0.00 H new ATOM 1692 N THR B 55 -1.339 -1.200 -10.090 1.00 0.00 N ATOM 1693 CA THR B 55 -1.379 0.050 -10.832 1.00 0.00 C ATOM 1694 C THR B 55 -2.727 0.746 -10.686 1.00 0.00 C ATOM 1695 O THR B 55 -3.760 0.224 -11.106 1.00 0.00 O ATOM 1696 CB THR B 55 -1.066 -0.192 -12.308 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.009 -1.124 -12.446 1.00 0.00 O ATOM 1698 CG2 THR B 55 -0.647 1.069 -13.030 1.00 0.00 C ATOM 0 H THR B 55 -1.672 -2.013 -10.608 1.00 0.00 H new ATOM 0 HA THR B 55 -0.617 0.706 -10.411 1.00 0.00 H new ATOM 0 HB THR B 55 -1.989 -0.569 -12.749 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.177 -1.269 -13.397 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.437 0.838 -14.074 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.450 1.804 -12.975 1.00 0.00 H new ATOM 0 HG23 THR B 55 0.249 1.476 -12.561 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.704 1.931 -10.081 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.916 2.717 -9.870 1.00 0.00 C ATOM 1708 C GLU B 56 -4.698 2.871 -11.172 1.00 0.00 C ATOM 1709 O GLU B 56 -5.942 2.768 -11.131 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.548 4.094 -9.301 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.745 4.961 -8.925 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.595 5.358 -10.117 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.059 6.014 -11.034 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.795 5.015 -10.129 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.059 3.093 -12.221 1.00 0.00 O ATOM 0 H GLU B 56 -1.854 2.370 -9.727 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.551 2.193 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.925 3.954 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.945 4.628 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.365 4.422 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.390 5.862 -8.424 1.00 0.00 H new