USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1023 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 LYS NZ :NH3+ 160:sc=-0.00699 (180deg=-0.104) USER MOD Set 1.2: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.206 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -4.71! C(o=-4.7!,f=-3.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -120:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -95:sc= 1.06 USER MOD Single : A 20 GLN : amide:sc= -1.86! C(o=-1.9!,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -72:sc= -3.73! USER MOD Single : A 25 THR OG1 : rot -130:sc= -3.39! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 30 THR OG1 : rot 163:sc= -6.13! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.0231 (180deg=-0.273) USER MOD Single : A 44 THR OG1 : rot 140:sc= -0.203 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 179:sc= 0.767 USER MOD Single : A 57 SER OG : rot -63:sc= 0.534 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -8.29! C(o=-8.3!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.238 USER MOD Single : A 71 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.32) USER MOD Single : A 72 GLN : amide:sc= -12.6! C(o=-13!,f=-20!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 76 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-3.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= -0.173 (180deg=-1.82!) USER MOD Single : A 89 ASN : amide:sc= -11.5! C(o=-12!,f=-7.6!) USER MOD Single : A 97 ASN : amide:sc= -4.2 K(o=-4.2,f=-7.9!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0372 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.922 K(o=-0.92,f=-0.051) USER MOD Single : A 106 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.57) USER MOD Single : A 107 SER OG : rot 105:sc= 0.00439 USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00326 USER MOD Single : A 111 ASN : amide:sc= 0.0757 K(o=0.076,f=-4!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -101:sc= -2.23 USER MOD Single : A 120 MET CE :methyl -118:sc= -0.782 (180deg=-1.93!) USER MOD Single : A 124 TYR OH : rot -144:sc= -1.86! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 14.148 6.165 -27.702 1.00 0.00 N ATOM 53 CA ASP A 4 13.371 7.418 -27.908 1.00 0.00 C ATOM 54 C ASP A 4 14.095 8.589 -27.240 1.00 0.00 C ATOM 55 O ASP A 4 14.971 8.406 -26.418 1.00 0.00 O ATOM 56 CB ASP A 4 11.983 7.262 -27.291 1.00 0.00 C ATOM 57 CG ASP A 4 10.955 8.000 -28.150 1.00 0.00 C ATOM 58 OD1 ASP A 4 10.821 7.649 -29.311 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.319 8.904 -27.635 1.00 0.00 O ATOM 0 HA ASP A 4 13.277 7.613 -28.976 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.722 6.206 -27.220 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.978 7.661 -26.277 1.00 0.00 H new ATOM 64 N ILE A 5 13.733 9.788 -27.593 1.00 0.00 N ATOM 65 CA ILE A 5 14.387 10.983 -26.992 1.00 0.00 C ATOM 66 C ILE A 5 13.973 11.127 -25.523 1.00 0.00 C ATOM 67 O ILE A 5 14.707 11.651 -24.711 1.00 0.00 O ATOM 68 CB ILE A 5 13.950 12.224 -27.767 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.411 12.099 -29.219 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.574 13.471 -27.135 1.00 0.00 C ATOM 71 CD1 ILE A 5 13.294 11.473 -30.054 1.00 0.00 C ATOM 0 H ILE A 5 13.006 9.994 -28.278 1.00 0.00 H new ATOM 0 HA ILE A 5 15.470 10.870 -27.043 1.00 0.00 H new ATOM 0 HB ILE A 5 12.864 12.311 -27.735 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.670 13.081 -29.616 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.310 11.485 -29.275 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.261 14.356 -27.690 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.246 13.557 -26.099 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.661 13.389 -27.166 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.621 11.383 -31.090 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.057 10.484 -29.661 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.407 12.105 -30.007 1.00 0.00 H new ATOM 83 N THR A 6 12.795 10.682 -25.182 1.00 0.00 N ATOM 84 CA THR A 6 12.326 10.811 -23.772 1.00 0.00 C ATOM 85 C THR A 6 13.328 10.162 -22.816 1.00 0.00 C ATOM 86 O THR A 6 13.724 10.751 -21.829 1.00 0.00 O ATOM 87 CB THR A 6 10.965 10.119 -23.632 1.00 0.00 C ATOM 88 OG1 THR A 6 9.962 10.930 -24.228 1.00 0.00 O ATOM 89 CG2 THR A 6 10.637 9.905 -22.152 1.00 0.00 C ATOM 0 H THR A 6 12.136 10.234 -25.819 1.00 0.00 H new ATOM 0 HA THR A 6 12.236 11.868 -23.521 1.00 0.00 H new ATOM 0 HB THR A 6 11.001 9.151 -24.132 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.091 10.489 -24.142 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.669 9.413 -22.061 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.405 9.281 -21.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.603 10.869 -21.644 1.00 0.00 H new ATOM 97 N LEU A 7 13.721 8.947 -23.074 1.00 0.00 N ATOM 98 CA LEU A 7 14.662 8.273 -22.148 1.00 0.00 C ATOM 99 C LEU A 7 16.049 8.917 -22.186 1.00 0.00 C ATOM 100 O LEU A 7 16.593 9.266 -21.158 1.00 0.00 O ATOM 101 CB LEU A 7 14.776 6.772 -22.470 1.00 0.00 C ATOM 102 CG LEU A 7 14.957 6.459 -23.968 1.00 0.00 C ATOM 103 CD1 LEU A 7 15.608 5.081 -24.097 1.00 0.00 C ATOM 104 CD2 LEU A 7 13.598 6.423 -24.670 1.00 0.00 C ATOM 0 H LEU A 7 13.431 8.396 -23.882 1.00 0.00 H new ATOM 0 HA LEU A 7 14.257 8.389 -21.143 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.620 6.357 -21.919 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.880 6.266 -22.110 1.00 0.00 H new ATOM 0 HG LEU A 7 15.577 7.230 -24.426 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.745 4.841 -25.151 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.577 5.088 -23.598 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.967 4.331 -23.634 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.741 6.201 -25.728 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.975 5.651 -24.218 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.109 7.391 -24.565 1.00 0.00 H new ATOM 116 N GLN A 8 16.631 9.094 -23.333 1.00 0.00 N ATOM 117 CA GLN A 8 17.975 9.730 -23.361 1.00 0.00 C ATOM 118 C GLN A 8 17.891 11.044 -22.598 1.00 0.00 C ATOM 119 O GLN A 8 18.845 11.512 -22.008 1.00 0.00 O ATOM 120 CB GLN A 8 18.405 9.988 -24.806 1.00 0.00 C ATOM 121 CG GLN A 8 17.242 10.603 -25.582 1.00 0.00 C ATOM 122 CD GLN A 8 17.767 11.246 -26.866 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.298 10.570 -27.726 1.00 0.00 O ATOM 124 NE2 GLN A 8 17.642 12.534 -27.037 1.00 0.00 N ATOM 0 H GLN A 8 16.244 8.832 -24.240 1.00 0.00 H new ATOM 0 HA GLN A 8 18.712 9.073 -22.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.264 10.658 -24.827 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.717 9.055 -25.276 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.505 9.836 -25.822 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.737 11.350 -24.969 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.197 13.103 -26.317 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.989 12.971 -27.891 1.00 0.00 H new ATOM 133 N GLU A 9 16.739 11.629 -22.617 1.00 0.00 N ATOM 134 CA GLU A 9 16.519 12.922 -21.909 1.00 0.00 C ATOM 135 C GLU A 9 16.522 12.716 -20.388 1.00 0.00 C ATOM 136 O GLU A 9 17.109 13.489 -19.654 1.00 0.00 O ATOM 137 CB GLU A 9 15.172 13.507 -22.336 1.00 0.00 C ATOM 138 CG GLU A 9 15.386 14.497 -23.482 1.00 0.00 C ATOM 139 CD GLU A 9 14.044 14.803 -24.150 1.00 0.00 C ATOM 140 OE1 GLU A 9 13.400 13.868 -24.594 1.00 0.00 O ATOM 141 OE2 GLU A 9 13.683 15.967 -24.207 1.00 0.00 O ATOM 0 H GLU A 9 15.919 11.264 -23.101 1.00 0.00 H new ATOM 0 HA GLU A 9 17.327 13.606 -22.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.500 12.709 -22.652 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.697 14.008 -21.492 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.834 15.416 -23.104 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.081 14.081 -24.211 1.00 0.00 H new ATOM 148 N ILE A 10 15.853 11.702 -19.898 1.00 0.00 N ATOM 149 CA ILE A 10 15.807 11.489 -18.424 1.00 0.00 C ATOM 150 C ILE A 10 17.218 11.475 -17.842 1.00 0.00 C ATOM 151 O ILE A 10 17.505 12.181 -16.904 1.00 0.00 O ATOM 152 CB ILE A 10 15.119 10.153 -18.130 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.809 10.059 -18.924 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.820 10.046 -16.635 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.083 11.410 -18.901 1.00 0.00 C ATOM 0 H ILE A 10 15.340 11.017 -20.454 1.00 0.00 H new ATOM 0 HA ILE A 10 15.248 12.305 -17.965 1.00 0.00 H new ATOM 0 HB ILE A 10 15.779 9.338 -18.426 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.018 9.767 -19.953 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.170 9.286 -18.497 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.330 9.094 -16.429 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.752 10.104 -16.073 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.164 10.864 -16.336 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.155 11.334 -19.467 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.858 11.685 -17.870 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.720 12.173 -19.349 1.00 0.00 H new ATOM 167 N ILE A 11 18.106 10.694 -18.387 1.00 0.00 N ATOM 168 CA ILE A 11 19.489 10.672 -17.828 1.00 0.00 C ATOM 169 C ILE A 11 20.027 12.099 -17.792 1.00 0.00 C ATOM 170 O ILE A 11 20.780 12.467 -16.913 1.00 0.00 O ATOM 171 CB ILE A 11 20.393 9.783 -18.697 1.00 0.00 C ATOM 172 CG1 ILE A 11 20.223 8.322 -18.276 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.858 10.184 -18.513 1.00 0.00 C ATOM 174 CD1 ILE A 11 21.162 7.444 -19.105 1.00 0.00 C ATOM 0 H ILE A 11 17.941 10.078 -19.183 1.00 0.00 H new ATOM 0 HA ILE A 11 19.474 10.262 -16.818 1.00 0.00 H new ATOM 0 HB ILE A 11 20.112 9.908 -19.743 1.00 0.00 H new ATOM 0 HG12 ILE A 11 20.444 8.209 -17.215 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.190 8.008 -18.422 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.490 9.548 -19.133 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.990 11.225 -18.808 1.00 0.00 H new ATOM 0 HG23 ILE A 11 22.139 10.065 -17.467 1.00 0.00 H new ATOM 0 HD11 ILE A 11 21.043 6.402 -18.807 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.919 7.549 -20.162 1.00 0.00 H new ATOM 0 HD13 ILE A 11 22.193 7.754 -18.937 1.00 0.00 H new ATOM 186 N LYS A 12 19.646 12.908 -18.735 1.00 0.00 N ATOM 187 CA LYS A 12 20.135 14.309 -18.741 1.00 0.00 C ATOM 188 C LYS A 12 19.673 15.006 -17.462 1.00 0.00 C ATOM 189 O LYS A 12 20.424 15.725 -16.836 1.00 0.00 O ATOM 190 CB LYS A 12 19.572 15.045 -19.958 1.00 0.00 C ATOM 191 CG LYS A 12 20.365 16.333 -20.188 1.00 0.00 C ATOM 192 CD LYS A 12 19.625 17.509 -19.550 1.00 0.00 C ATOM 193 CE LYS A 12 19.805 18.758 -20.415 1.00 0.00 C ATOM 194 NZ LYS A 12 18.699 19.718 -20.140 1.00 0.00 N ATOM 0 H LYS A 12 19.019 12.661 -19.500 1.00 0.00 H new ATOM 0 HA LYS A 12 21.224 14.316 -18.790 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.630 14.408 -20.840 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.519 15.277 -19.801 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.362 16.240 -19.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.494 16.507 -21.256 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.566 17.274 -19.449 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.008 17.691 -18.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.767 19.225 -20.203 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.809 18.485 -21.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.822 20.567 -20.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.787 19.271 -20.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.715 19.988 -19.136 1.00 0.00 H new ATOM 208 N THR A 13 18.442 14.807 -17.070 1.00 0.00 N ATOM 209 CA THR A 13 17.940 15.472 -15.834 1.00 0.00 C ATOM 210 C THR A 13 18.573 14.852 -14.588 1.00 0.00 C ATOM 211 O THR A 13 19.085 15.549 -13.737 1.00 0.00 O ATOM 212 CB THR A 13 16.416 15.345 -15.752 1.00 0.00 C ATOM 213 OG1 THR A 13 15.822 16.154 -16.759 1.00 0.00 O ATOM 214 CG2 THR A 13 15.939 15.811 -14.372 1.00 0.00 C ATOM 0 H THR A 13 17.765 14.215 -17.551 1.00 0.00 H new ATOM 0 HA THR A 13 18.215 16.526 -15.878 1.00 0.00 H new ATOM 0 HB THR A 13 16.127 14.305 -15.903 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.241 16.823 -16.341 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.854 15.721 -14.312 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.397 15.192 -13.601 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.226 16.852 -14.220 1.00 0.00 H new ATOM 222 N LEU A 14 18.546 13.557 -14.464 1.00 0.00 N ATOM 223 CA LEU A 14 19.152 12.935 -13.262 1.00 0.00 C ATOM 224 C LEU A 14 20.552 13.530 -13.084 1.00 0.00 C ATOM 225 O LEU A 14 20.979 13.858 -11.995 1.00 0.00 O ATOM 226 CB LEU A 14 19.270 11.412 -13.474 1.00 0.00 C ATOM 227 CG LEU A 14 17.911 10.723 -13.247 1.00 0.00 C ATOM 228 CD1 LEU A 14 16.927 11.133 -14.345 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.090 9.199 -13.297 1.00 0.00 C ATOM 0 H LEU A 14 18.135 12.909 -15.136 1.00 0.00 H new ATOM 0 HA LEU A 14 18.537 13.125 -12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.623 11.207 -14.485 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.011 11.001 -12.788 1.00 0.00 H new ATOM 0 HG LEU A 14 17.525 11.024 -12.273 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.969 10.641 -14.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.789 12.214 -14.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.322 10.836 -15.317 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.127 8.714 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.483 8.911 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.787 8.889 -12.519 1.00 0.00 H new ATOM 241 N ASN A 15 21.261 13.651 -14.169 1.00 0.00 N ATOM 242 CA ASN A 15 22.649 14.204 -14.142 1.00 0.00 C ATOM 243 C ASN A 15 22.684 15.741 -13.917 1.00 0.00 C ATOM 244 O ASN A 15 23.654 16.252 -13.394 1.00 0.00 O ATOM 245 CB ASN A 15 23.315 13.898 -15.485 1.00 0.00 C ATOM 246 CG ASN A 15 24.777 14.348 -15.442 1.00 0.00 C ATOM 247 OD1 ASN A 15 25.391 14.358 -14.395 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.363 14.724 -16.545 1.00 0.00 N ATOM 0 H ASN A 15 20.932 13.384 -15.097 1.00 0.00 H new ATOM 0 HA ASN A 15 23.173 13.738 -13.307 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.258 12.830 -15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.789 14.411 -16.290 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.337 15.026 -16.528 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.847 14.716 -17.425 1.00 0.00 H new ATOM 255 N SER A 16 21.703 16.505 -14.384 1.00 0.00 N ATOM 256 CA SER A 16 21.818 17.994 -14.251 1.00 0.00 C ATOM 257 C SER A 16 21.687 18.500 -12.809 1.00 0.00 C ATOM 258 O SER A 16 22.527 19.244 -12.343 1.00 0.00 O ATOM 259 CB SER A 16 20.724 18.645 -15.096 1.00 0.00 C ATOM 260 OG SER A 16 21.318 19.482 -16.078 1.00 0.00 O ATOM 0 H SER A 16 20.855 16.165 -14.837 1.00 0.00 H new ATOM 0 HA SER A 16 22.818 18.264 -14.591 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.116 17.878 -15.576 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.058 19.228 -14.461 1.00 0.00 H new ATOM 0 HG SER A 16 20.616 19.898 -16.621 1.00 0.00 H new ATOM 266 N LEU A 17 20.654 18.150 -12.097 1.00 0.00 N ATOM 267 CA LEU A 17 20.536 18.688 -10.705 1.00 0.00 C ATOM 268 C LEU A 17 21.570 18.037 -9.775 1.00 0.00 C ATOM 269 O LEU A 17 21.992 18.630 -8.805 1.00 0.00 O ATOM 270 CB LEU A 17 19.111 18.483 -10.155 1.00 0.00 C ATOM 271 CG LEU A 17 18.894 19.402 -8.936 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.396 19.651 -8.694 1.00 0.00 C ATOM 273 CD2 LEU A 17 19.480 18.735 -7.697 1.00 0.00 C ATOM 0 H LEU A 17 19.902 17.532 -12.403 1.00 0.00 H new ATOM 0 HA LEU A 17 20.737 19.759 -10.743 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.376 18.706 -10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.966 17.441 -9.869 1.00 0.00 H new ATOM 0 HG LEU A 17 19.385 20.355 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.270 20.302 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.960 20.127 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.894 18.701 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 17 19.330 19.380 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.983 17.780 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 17 20.547 18.568 -7.844 1.00 0.00 H new ATOM 285 N THR A 18 21.963 16.821 -10.041 1.00 0.00 N ATOM 286 CA THR A 18 22.949 16.148 -9.142 1.00 0.00 C ATOM 287 C THR A 18 24.252 16.942 -9.072 1.00 0.00 C ATOM 288 O THR A 18 24.907 16.995 -8.049 1.00 0.00 O ATOM 289 CB THR A 18 23.235 14.735 -9.658 1.00 0.00 C ATOM 290 OG1 THR A 18 23.405 14.773 -11.067 1.00 0.00 O ATOM 291 CG2 THR A 18 22.066 13.815 -9.306 1.00 0.00 C ATOM 0 H THR A 18 21.648 16.266 -10.836 1.00 0.00 H new ATOM 0 HA THR A 18 22.523 16.095 -8.140 1.00 0.00 H new ATOM 0 HB THR A 18 24.145 14.355 -9.193 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.556 14.552 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 18 22.271 12.810 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 18 21.938 13.787 -8.224 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.154 14.192 -9.769 1.00 0.00 H new ATOM 299 N GLU A 19 24.629 17.555 -10.145 1.00 0.00 N ATOM 300 CA GLU A 19 25.892 18.350 -10.150 1.00 0.00 C ATOM 301 C GLU A 19 25.892 19.284 -8.950 1.00 0.00 C ATOM 302 O GLU A 19 26.920 19.627 -8.398 1.00 0.00 O ATOM 303 CB GLU A 19 25.986 19.166 -11.442 1.00 0.00 C ATOM 304 CG GLU A 19 27.081 18.580 -12.336 1.00 0.00 C ATOM 305 CD GLU A 19 26.457 17.605 -13.336 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.467 17.969 -13.950 1.00 0.00 O ATOM 307 OE2 GLU A 19 26.981 16.512 -13.472 1.00 0.00 O ATOM 0 H GLU A 19 24.120 17.545 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 19 26.749 17.679 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.029 19.152 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.208 20.208 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.599 19.379 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.826 18.067 -11.728 1.00 0.00 H new ATOM 314 N GLN A 20 24.733 19.674 -8.544 1.00 0.00 N ATOM 315 CA GLN A 20 24.594 20.575 -7.365 1.00 0.00 C ATOM 316 C GLN A 20 23.201 20.384 -6.766 1.00 0.00 C ATOM 317 O GLN A 20 22.200 20.511 -7.442 1.00 0.00 O ATOM 318 CB GLN A 20 24.790 22.035 -7.789 1.00 0.00 C ATOM 319 CG GLN A 20 23.860 22.360 -8.954 1.00 0.00 C ATOM 320 CD GLN A 20 23.398 23.814 -8.850 1.00 0.00 C ATOM 321 OE1 GLN A 20 23.336 24.367 -7.771 1.00 0.00 O ATOM 322 NE2 GLN A 20 23.067 24.460 -9.935 1.00 0.00 N ATOM 0 H GLN A 20 23.851 19.406 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 20 25.353 20.330 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 20 24.583 22.699 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 20 25.827 22.203 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.376 22.198 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.999 21.692 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.119 23.995 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.756 25.430 -9.876 1.00 0.00 H new ATOM 331 N LYS A 21 23.119 20.050 -5.507 1.00 0.00 N ATOM 332 CA LYS A 21 21.782 19.828 -4.895 1.00 0.00 C ATOM 333 C LYS A 21 21.860 19.995 -3.376 1.00 0.00 C ATOM 334 O LYS A 21 21.456 19.126 -2.629 1.00 0.00 O ATOM 335 CB LYS A 21 21.318 18.406 -5.227 1.00 0.00 C ATOM 336 CG LYS A 21 22.264 17.398 -4.573 1.00 0.00 C ATOM 337 CD LYS A 21 23.344 16.986 -5.575 1.00 0.00 C ATOM 338 CE LYS A 21 23.769 15.542 -5.303 1.00 0.00 C ATOM 339 NZ LYS A 21 24.933 15.532 -4.373 1.00 0.00 N ATOM 0 H LYS A 21 23.914 19.922 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 21 21.077 20.558 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 20.300 18.251 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.303 18.259 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.723 17.836 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.706 16.522 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.965 17.079 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 21 24.204 17.651 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.939 14.983 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.033 15.047 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 25.221 14.550 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.725 16.051 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.666 15.988 -3.478 1.00 0.00 H new ATOM 353 N THR A 22 22.370 21.102 -2.906 1.00 0.00 N ATOM 354 CA THR A 22 22.457 21.301 -1.431 1.00 0.00 C ATOM 355 C THR A 22 23.280 20.159 -0.810 1.00 0.00 C ATOM 356 O THR A 22 23.280 19.977 0.391 1.00 0.00 O ATOM 357 CB THR A 22 21.046 21.278 -0.841 1.00 0.00 C ATOM 358 OG1 THR A 22 20.095 21.215 -1.896 1.00 0.00 O ATOM 359 CG2 THR A 22 20.815 22.546 -0.017 1.00 0.00 C ATOM 0 H THR A 22 22.727 21.870 -3.474 1.00 0.00 H new ATOM 0 HA THR A 22 22.935 22.257 -1.216 1.00 0.00 H new ATOM 0 HB THR A 22 20.934 20.405 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 22 20.061 22.079 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 22 19.809 22.529 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.545 22.593 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.926 23.421 -0.657 1.00 0.00 H new ATOM 367 N LEU A 23 23.990 19.389 -1.611 1.00 0.00 N ATOM 368 CA LEU A 23 24.804 18.281 -1.061 1.00 0.00 C ATOM 369 C LEU A 23 24.058 17.560 0.068 1.00 0.00 C ATOM 370 O LEU A 23 24.660 16.963 0.938 1.00 0.00 O ATOM 371 CB LEU A 23 26.113 18.877 -0.572 1.00 0.00 C ATOM 372 CG LEU A 23 25.908 19.620 0.755 1.00 0.00 C ATOM 373 CD1 LEU A 23 27.143 19.433 1.638 1.00 0.00 C ATOM 374 CD2 LEU A 23 25.707 21.112 0.475 1.00 0.00 C ATOM 0 H LEU A 23 24.032 19.492 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 23 24.999 17.532 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 23 26.852 18.087 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 26.509 19.563 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 23 25.031 19.221 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.999 19.960 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.292 18.371 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 23 28.019 19.834 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.561 21.642 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.586 21.509 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 23 24.830 21.249 -0.158 1.00 0.00 H new ATOM 386 N CYS A 24 22.753 17.599 0.052 1.00 0.00 N ATOM 387 CA CYS A 24 21.973 16.902 1.114 1.00 0.00 C ATOM 388 C CYS A 24 21.379 15.614 0.541 1.00 0.00 C ATOM 389 O CYS A 24 20.378 15.118 1.020 1.00 0.00 O ATOM 390 CB CYS A 24 20.845 17.812 1.607 1.00 0.00 C ATOM 391 SG CYS A 24 19.595 17.987 0.310 1.00 0.00 S ATOM 0 H CYS A 24 22.194 18.083 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 24 22.630 16.662 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 24 20.394 17.394 2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.244 18.790 1.876 1.00 0.00 H new ATOM 396 N THR A 25 21.982 15.063 -0.481 1.00 0.00 N ATOM 397 CA THR A 25 21.434 13.808 -1.069 1.00 0.00 C ATOM 398 C THR A 25 21.868 12.613 -0.218 1.00 0.00 C ATOM 399 O THR A 25 22.750 11.865 -0.591 1.00 0.00 O ATOM 400 CB THR A 25 21.965 13.638 -2.495 1.00 0.00 C ATOM 401 OG1 THR A 25 21.455 14.681 -3.313 1.00 0.00 O ATOM 402 CG2 THR A 25 21.518 12.285 -3.053 1.00 0.00 C ATOM 0 H THR A 25 22.823 15.426 -0.930 1.00 0.00 H new ATOM 0 HA THR A 25 20.346 13.863 -1.090 1.00 0.00 H new ATOM 0 HB THR A 25 23.054 13.680 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 25 21.071 14.298 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 25 21.897 12.167 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.909 11.485 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.429 12.238 -3.065 1.00 0.00 H new ATOM 410 N GLU A 26 21.257 12.419 0.921 1.00 0.00 N ATOM 411 CA GLU A 26 21.649 11.266 1.776 1.00 0.00 C ATOM 412 C GLU A 26 20.617 11.073 2.889 1.00 0.00 C ATOM 413 O GLU A 26 20.958 11.003 4.054 1.00 0.00 O ATOM 414 CB GLU A 26 23.022 11.533 2.395 1.00 0.00 C ATOM 415 CG GLU A 26 24.052 10.583 1.780 1.00 0.00 C ATOM 416 CD GLU A 26 25.190 10.348 2.775 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.669 11.319 3.337 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.563 9.201 2.959 1.00 0.00 O ATOM 0 H GLU A 26 20.509 13.005 1.292 1.00 0.00 H new ATOM 0 HA GLU A 26 21.693 10.364 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.316 12.568 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.980 11.391 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.579 9.635 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.445 11.005 0.855 1.00 0.00 H new ATOM 425 N LEU A 27 19.361 10.974 2.546 1.00 0.00 N ATOM 426 CA LEU A 27 18.329 10.771 3.593 1.00 0.00 C ATOM 427 C LEU A 27 17.804 9.348 3.493 1.00 0.00 C ATOM 428 O LEU A 27 17.626 8.813 2.419 1.00 0.00 O ATOM 429 CB LEU A 27 17.181 11.741 3.411 1.00 0.00 C ATOM 430 CG LEU A 27 17.698 13.178 3.220 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.748 14.131 3.937 1.00 0.00 C ATOM 432 CD2 LEU A 27 19.114 13.378 3.787 1.00 0.00 C ATOM 0 H LEU A 27 19.010 11.025 1.590 1.00 0.00 H new ATOM 0 HA LEU A 27 18.777 10.945 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.585 11.447 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.524 11.700 4.280 1.00 0.00 H new ATOM 0 HG LEU A 27 17.741 13.377 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.098 15.156 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.748 14.035 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.717 13.884 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.429 14.409 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 27 19.112 13.163 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.806 12.704 3.283 1.00 0.00 H new ATOM 444 N THR A 28 17.554 8.725 4.596 1.00 0.00 N ATOM 445 CA THR A 28 17.057 7.323 4.549 1.00 0.00 C ATOM 446 C THR A 28 15.805 7.228 3.676 1.00 0.00 C ATOM 447 O THR A 28 14.812 7.884 3.918 1.00 0.00 O ATOM 448 CB THR A 28 16.738 6.845 5.965 1.00 0.00 C ATOM 449 OG1 THR A 28 16.268 7.939 6.741 1.00 0.00 O ATOM 450 CG2 THR A 28 18.002 6.265 6.602 1.00 0.00 C ATOM 0 H THR A 28 17.669 9.118 5.530 1.00 0.00 H new ATOM 0 HA THR A 28 17.831 6.690 4.116 1.00 0.00 H new ATOM 0 HB THR A 28 15.967 6.075 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.062 7.632 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.776 5.923 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.357 5.425 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.774 7.033 6.643 1.00 0.00 H new ATOM 458 N VAL A 29 15.845 6.398 2.666 1.00 0.00 N ATOM 459 CA VAL A 29 14.660 6.236 1.779 1.00 0.00 C ATOM 460 C VAL A 29 14.388 4.743 1.582 1.00 0.00 C ATOM 461 O VAL A 29 15.277 3.921 1.692 1.00 0.00 O ATOM 462 CB VAL A 29 14.917 6.906 0.416 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.640 8.408 0.506 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.367 6.710 -0.005 1.00 0.00 C ATOM 0 H VAL A 29 16.651 5.824 2.418 1.00 0.00 H new ATOM 0 HA VAL A 29 13.795 6.712 2.240 1.00 0.00 H new ATOM 0 HB VAL A 29 14.253 6.447 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.825 8.871 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.601 8.570 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.296 8.855 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.534 7.189 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.026 7.156 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.581 5.644 -0.087 1.00 0.00 H new ATOM 474 N THR A 30 13.166 4.387 1.304 1.00 0.00 N ATOM 475 CA THR A 30 12.829 2.946 1.113 1.00 0.00 C ATOM 476 C THR A 30 13.891 2.275 0.236 1.00 0.00 C ATOM 477 O THR A 30 14.233 2.761 -0.824 1.00 0.00 O ATOM 478 CB THR A 30 11.455 2.825 0.449 1.00 0.00 C ATOM 479 OG1 THR A 30 10.730 4.029 0.643 1.00 0.00 O ATOM 480 CG2 THR A 30 10.685 1.666 1.078 1.00 0.00 C ATOM 0 H THR A 30 12.383 5.032 1.200 1.00 0.00 H new ATOM 0 HA THR A 30 12.805 2.450 2.083 1.00 0.00 H new ATOM 0 HB THR A 30 11.583 2.642 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.985 4.068 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.707 1.580 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.240 0.739 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.557 1.850 2.145 1.00 0.00 H new ATOM 488 N ASP A 31 14.419 1.163 0.676 1.00 0.00 N ATOM 489 CA ASP A 31 15.464 0.458 -0.124 1.00 0.00 C ATOM 490 C ASP A 31 14.803 -0.465 -1.148 1.00 0.00 C ATOM 491 O ASP A 31 14.595 -1.637 -0.898 1.00 0.00 O ATOM 492 CB ASP A 31 16.340 -0.377 0.813 1.00 0.00 C ATOM 493 CG ASP A 31 17.592 -0.838 0.062 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.603 -0.732 -1.153 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.518 -1.290 0.717 1.00 0.00 O ATOM 0 H ASP A 31 14.171 0.712 1.557 1.00 0.00 H new ATOM 0 HA ASP A 31 16.074 1.196 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.622 0.212 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.783 -1.240 1.177 1.00 0.00 H new ATOM 500 N ILE A 32 14.468 0.050 -2.299 1.00 0.00 N ATOM 501 CA ILE A 32 13.818 -0.807 -3.336 1.00 0.00 C ATOM 502 C ILE A 32 14.885 -1.533 -4.163 1.00 0.00 C ATOM 503 O ILE A 32 14.725 -1.735 -5.350 1.00 0.00 O ATOM 504 CB ILE A 32 12.980 0.084 -4.266 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.920 0.951 -5.111 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.086 0.989 -3.419 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.764 0.584 -6.589 1.00 0.00 C ATOM 0 H ILE A 32 14.615 1.023 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 32 13.182 -1.545 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 32 12.365 -0.536 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.691 2.006 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.952 0.801 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.488 1.624 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.426 0.377 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.706 1.612 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.433 1.201 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.014 -0.467 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.734 0.757 -6.900 1.00 0.00 H new ATOM 519 N PHE A 33 15.977 -1.918 -3.561 1.00 0.00 N ATOM 520 CA PHE A 33 17.040 -2.617 -4.342 1.00 0.00 C ATOM 521 C PHE A 33 17.578 -3.826 -3.556 1.00 0.00 C ATOM 522 O PHE A 33 18.751 -4.136 -3.631 1.00 0.00 O ATOM 523 CB PHE A 33 18.183 -1.634 -4.603 1.00 0.00 C ATOM 524 CG PHE A 33 17.734 -0.613 -5.622 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.420 -1.018 -6.924 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.625 0.736 -5.264 1.00 0.00 C ATOM 527 CE1 PHE A 33 16.998 -0.074 -7.868 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.203 1.679 -6.208 1.00 0.00 C ATOM 529 CZ PHE A 33 16.890 1.274 -7.510 1.00 0.00 C ATOM 0 H PHE A 33 16.180 -1.781 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 33 16.621 -2.972 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.472 -1.138 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.062 -2.167 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.503 -2.059 -7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.867 1.049 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.756 -0.387 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.119 2.720 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.565 2.002 -8.239 1.00 0.00 H new ATOM 539 N ALA A 34 16.752 -4.521 -2.806 1.00 0.00 N ATOM 540 CA ALA A 34 17.266 -5.693 -2.042 1.00 0.00 C ATOM 541 C ALA A 34 16.091 -6.487 -1.467 1.00 0.00 C ATOM 542 O ALA A 34 15.918 -6.574 -0.268 1.00 0.00 O ATOM 543 CB ALA A 34 18.158 -5.205 -0.901 1.00 0.00 C ATOM 0 H ALA A 34 15.757 -4.327 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 34 17.844 -6.334 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.534 -6.061 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.997 -4.642 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.580 -4.563 -0.236 1.00 0.00 H new ATOM 549 N ALA A 35 15.282 -7.071 -2.310 1.00 0.00 N ATOM 550 CA ALA A 35 14.125 -7.860 -1.801 1.00 0.00 C ATOM 551 C ALA A 35 13.869 -9.051 -2.720 1.00 0.00 C ATOM 552 O ALA A 35 12.809 -9.189 -3.298 1.00 0.00 O ATOM 553 CB ALA A 35 12.880 -6.972 -1.749 1.00 0.00 C ATOM 0 H ALA A 35 15.372 -7.036 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 35 14.351 -8.223 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.035 -7.551 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.063 -6.128 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.654 -6.603 -2.750 1.00 0.00 H new ATOM 559 N SER A 36 14.838 -9.913 -2.846 1.00 0.00 N ATOM 560 CA SER A 36 14.680 -11.116 -3.717 1.00 0.00 C ATOM 561 C SER A 36 13.905 -10.749 -4.983 1.00 0.00 C ATOM 562 O SER A 36 12.982 -11.436 -5.377 1.00 0.00 O ATOM 563 CB SER A 36 13.921 -12.201 -2.950 1.00 0.00 C ATOM 564 OG SER A 36 14.657 -13.415 -2.994 1.00 0.00 O ATOM 0 H SER A 36 15.742 -9.837 -2.380 1.00 0.00 H new ATOM 0 HA SER A 36 15.666 -11.486 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.770 -11.892 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.933 -12.346 -3.387 1.00 0.00 H new ATOM 0 HG SER A 36 14.172 -14.110 -2.501 1.00 0.00 H new ATOM 570 N LYS A 37 14.267 -9.672 -5.621 1.00 0.00 N ATOM 571 CA LYS A 37 13.547 -9.264 -6.857 1.00 0.00 C ATOM 572 C LYS A 37 14.463 -9.445 -8.063 1.00 0.00 C ATOM 573 O LYS A 37 14.506 -10.492 -8.678 1.00 0.00 O ATOM 574 CB LYS A 37 13.125 -7.799 -6.732 1.00 0.00 C ATOM 575 CG LYS A 37 12.504 -7.329 -8.050 1.00 0.00 C ATOM 576 CD LYS A 37 10.985 -7.508 -7.990 1.00 0.00 C ATOM 577 CE LYS A 37 10.647 -8.999 -7.939 1.00 0.00 C ATOM 578 NZ LYS A 37 9.202 -9.191 -8.241 1.00 0.00 N ATOM 0 H LYS A 37 15.030 -9.057 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 37 12.660 -9.883 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.408 -7.685 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.988 -7.181 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.751 -6.282 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.916 -7.900 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.583 -7.003 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.520 -7.049 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.256 -9.546 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.880 -9.402 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.972 -10.205 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.630 -8.682 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.994 -8.821 -9.190 1.00 0.00 H new ATOM 592 N ASN A 38 15.191 -8.431 -8.399 1.00 0.00 N ATOM 593 CA ASN A 38 16.113 -8.522 -9.567 1.00 0.00 C ATOM 594 C ASN A 38 15.321 -8.952 -10.803 1.00 0.00 C ATOM 595 O ASN A 38 15.702 -9.864 -11.510 1.00 0.00 O ATOM 596 CB ASN A 38 17.206 -9.552 -9.277 1.00 0.00 C ATOM 597 CG ASN A 38 18.580 -8.905 -9.460 1.00 0.00 C ATOM 598 OD1 ASN A 38 19.350 -8.810 -8.525 1.00 0.00 O ATOM 599 ND2 ASN A 38 18.922 -8.453 -10.635 1.00 0.00 N ATOM 0 H ASN A 38 15.193 -7.533 -7.916 1.00 0.00 H new ATOM 0 HA ASN A 38 16.572 -7.550 -9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.103 -9.930 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.102 -10.406 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.836 -8.020 -10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.276 -8.533 -11.420 1.00 0.00 H new ATOM 606 N THR A 39 14.220 -8.306 -11.067 1.00 0.00 N ATOM 607 CA THR A 39 13.400 -8.681 -12.254 1.00 0.00 C ATOM 608 C THR A 39 13.508 -7.586 -13.320 1.00 0.00 C ATOM 609 O THR A 39 14.359 -6.722 -13.253 1.00 0.00 O ATOM 610 CB THR A 39 11.939 -8.853 -11.825 1.00 0.00 C ATOM 611 OG1 THR A 39 11.227 -9.555 -12.834 1.00 0.00 O ATOM 612 CG2 THR A 39 11.299 -7.480 -11.603 1.00 0.00 C ATOM 0 H THR A 39 13.852 -7.534 -10.512 1.00 0.00 H new ATOM 0 HA THR A 39 13.766 -9.619 -12.672 1.00 0.00 H new ATOM 0 HB THR A 39 11.901 -9.420 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.293 -9.666 -12.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.260 -7.608 -11.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.843 -6.947 -10.823 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.337 -6.907 -12.529 1.00 0.00 H new ATOM 620 N THR A 40 12.650 -7.620 -14.308 1.00 0.00 N ATOM 621 CA THR A 40 12.696 -6.590 -15.387 1.00 0.00 C ATOM 622 C THR A 40 12.979 -5.211 -14.787 1.00 0.00 C ATOM 623 O THR A 40 12.515 -4.882 -13.713 1.00 0.00 O ATOM 624 CB THR A 40 11.350 -6.562 -16.116 1.00 0.00 C ATOM 625 OG1 THR A 40 10.679 -7.798 -15.913 1.00 0.00 O ATOM 626 CG2 THR A 40 11.581 -6.344 -17.612 1.00 0.00 C ATOM 0 H THR A 40 11.916 -8.321 -14.413 1.00 0.00 H new ATOM 0 HA THR A 40 13.492 -6.842 -16.088 1.00 0.00 H new ATOM 0 HB THR A 40 10.741 -5.748 -15.724 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.816 -7.782 -16.377 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.622 -6.324 -18.129 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.096 -5.396 -17.766 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.190 -7.156 -18.008 1.00 0.00 H new ATOM 634 N GLU A 41 13.737 -4.400 -15.476 1.00 0.00 N ATOM 635 CA GLU A 41 14.048 -3.042 -14.950 1.00 0.00 C ATOM 636 C GLU A 41 12.742 -2.280 -14.727 1.00 0.00 C ATOM 637 O GLU A 41 12.567 -1.608 -13.730 1.00 0.00 O ATOM 638 CB GLU A 41 14.916 -2.284 -15.958 1.00 0.00 C ATOM 639 CG GLU A 41 16.164 -3.111 -16.278 1.00 0.00 C ATOM 640 CD GLU A 41 17.032 -3.231 -15.023 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.627 -2.237 -14.642 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.086 -4.315 -14.466 1.00 0.00 O ATOM 0 H GLU A 41 14.154 -4.621 -16.380 1.00 0.00 H new ATOM 0 HA GLU A 41 14.588 -3.131 -14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.350 -2.092 -16.870 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.203 -1.315 -15.551 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.876 -4.102 -16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.730 -2.639 -17.081 1.00 0.00 H new ATOM 649 N LYS A 42 11.819 -2.380 -15.643 1.00 0.00 N ATOM 650 CA LYS A 42 10.526 -1.663 -15.471 1.00 0.00 C ATOM 651 C LYS A 42 9.974 -1.959 -14.076 1.00 0.00 C ATOM 652 O LYS A 42 9.332 -1.130 -13.463 1.00 0.00 O ATOM 653 CB LYS A 42 9.530 -2.139 -16.529 1.00 0.00 C ATOM 654 CG LYS A 42 9.117 -3.583 -16.231 1.00 0.00 C ATOM 655 CD LYS A 42 7.866 -3.586 -15.352 1.00 0.00 C ATOM 656 CE LYS A 42 6.930 -4.708 -15.803 1.00 0.00 C ATOM 657 NZ LYS A 42 6.303 -4.338 -17.104 1.00 0.00 N ATOM 0 H LYS A 42 11.904 -2.926 -16.501 1.00 0.00 H new ATOM 0 HA LYS A 42 10.682 -0.590 -15.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.652 -1.493 -16.534 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.979 -2.075 -17.520 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.921 -4.116 -17.162 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.929 -4.108 -15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.143 -3.727 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.358 -2.624 -15.421 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.485 -5.640 -15.907 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.160 -4.878 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.391 -4.828 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.149 -3.310 -17.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.931 -4.618 -17.884 1.00 0.00 H new ATOM 671 N GLU A 43 10.226 -3.134 -13.565 1.00 0.00 N ATOM 672 CA GLU A 43 9.723 -3.477 -12.206 1.00 0.00 C ATOM 673 C GLU A 43 10.495 -2.667 -11.165 1.00 0.00 C ATOM 674 O GLU A 43 9.927 -2.152 -10.223 1.00 0.00 O ATOM 675 CB GLU A 43 9.924 -4.971 -11.945 1.00 0.00 C ATOM 676 CG GLU A 43 9.237 -5.358 -10.636 1.00 0.00 C ATOM 677 CD GLU A 43 10.067 -4.852 -9.454 1.00 0.00 C ATOM 678 OE1 GLU A 43 11.250 -4.625 -9.641 1.00 0.00 O ATOM 679 OE2 GLU A 43 9.503 -4.700 -8.383 1.00 0.00 O ATOM 0 H GLU A 43 10.758 -3.870 -14.030 1.00 0.00 H new ATOM 0 HA GLU A 43 8.661 -3.241 -12.140 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.513 -5.553 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.988 -5.201 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.235 -4.931 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.125 -6.441 -10.578 1.00 0.00 H new ATOM 686 N THR A 44 11.785 -2.536 -11.328 1.00 0.00 N ATOM 687 CA THR A 44 12.567 -1.738 -10.337 1.00 0.00 C ATOM 688 C THR A 44 12.023 -0.316 -10.352 1.00 0.00 C ATOM 689 O THR A 44 12.066 0.394 -9.372 1.00 0.00 O ATOM 690 CB THR A 44 14.074 -1.733 -10.675 1.00 0.00 C ATOM 691 OG1 THR A 44 14.808 -1.417 -9.500 1.00 0.00 O ATOM 692 CG2 THR A 44 14.382 -0.689 -11.755 1.00 0.00 C ATOM 0 H THR A 44 12.325 -2.940 -12.093 1.00 0.00 H new ATOM 0 HA THR A 44 12.462 -2.184 -9.348 1.00 0.00 H new ATOM 0 HB THR A 44 14.357 -2.717 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.613 -1.974 -9.458 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.449 -0.701 -11.979 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.819 -0.923 -12.658 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.098 0.300 -11.396 1.00 0.00 H new ATOM 700 N PHE A 45 11.517 0.086 -11.474 1.00 0.00 N ATOM 701 CA PHE A 45 10.952 1.455 -11.610 1.00 0.00 C ATOM 702 C PHE A 45 9.648 1.559 -10.821 1.00 0.00 C ATOM 703 O PHE A 45 9.283 2.614 -10.347 1.00 0.00 O ATOM 704 CB PHE A 45 10.688 1.739 -13.086 1.00 0.00 C ATOM 705 CG PHE A 45 12.027 1.951 -13.808 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.246 1.780 -13.115 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.060 2.307 -15.170 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.464 1.961 -13.773 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.288 2.489 -15.820 1.00 0.00 C ATOM 710 CZ PHE A 45 14.486 2.316 -15.121 1.00 0.00 C ATOM 0 H PHE A 45 11.468 -0.482 -12.320 1.00 0.00 H new ATOM 0 HA PHE A 45 11.660 2.184 -11.217 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.146 0.908 -13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.060 2.624 -13.192 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.236 1.508 -12.070 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.137 2.440 -15.715 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.391 1.826 -13.236 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.309 2.764 -16.864 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.430 2.458 -15.626 1.00 0.00 H new ATOM 720 N CYS A 46 8.936 0.472 -10.684 1.00 0.00 N ATOM 721 CA CYS A 46 7.652 0.520 -9.936 1.00 0.00 C ATOM 722 C CYS A 46 7.923 0.802 -8.458 1.00 0.00 C ATOM 723 O CYS A 46 7.359 1.704 -7.871 1.00 0.00 O ATOM 724 CB CYS A 46 6.962 -0.828 -10.058 1.00 0.00 C ATOM 725 SG CYS A 46 5.172 -0.592 -10.087 1.00 0.00 S ATOM 0 H CYS A 46 9.189 -0.443 -11.057 1.00 0.00 H new ATOM 0 HA CYS A 46 7.022 1.309 -10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.287 -1.333 -10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.241 -1.468 -9.221 1.00 0.00 H new ATOM 730 N ARG A 47 8.787 0.038 -7.859 1.00 0.00 N ATOM 731 CA ARG A 47 9.113 0.245 -6.421 1.00 0.00 C ATOM 732 C ARG A 47 9.949 1.517 -6.243 1.00 0.00 C ATOM 733 O ARG A 47 9.868 2.193 -5.236 1.00 0.00 O ATOM 734 CB ARG A 47 9.914 -0.954 -5.922 1.00 0.00 C ATOM 735 CG ARG A 47 9.719 -1.111 -4.413 1.00 0.00 C ATOM 736 CD ARG A 47 10.561 -2.285 -3.913 1.00 0.00 C ATOM 737 NE ARG A 47 10.123 -3.535 -4.595 1.00 0.00 N ATOM 738 CZ ARG A 47 11.009 -4.328 -5.136 1.00 0.00 C ATOM 739 NH1 ARG A 47 11.711 -3.921 -6.158 1.00 0.00 N ATOM 740 NH2 ARG A 47 11.192 -5.526 -4.654 1.00 0.00 N ATOM 0 H ARG A 47 9.288 -0.730 -8.307 1.00 0.00 H new ATOM 0 HA ARG A 47 8.188 0.348 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.591 -1.859 -6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.971 -0.818 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.011 -0.195 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.666 -1.281 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.617 -2.100 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.453 -2.390 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 47 9.132 -3.772 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.568 -2.984 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.403 -4.540 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.643 -5.843 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.884 -6.145 -5.076 1.00 0.00 H new ATOM 754 N ALA A 48 10.780 1.819 -7.200 1.00 0.00 N ATOM 755 CA ALA A 48 11.668 3.025 -7.078 1.00 0.00 C ATOM 756 C ALA A 48 10.863 4.308 -7.187 1.00 0.00 C ATOM 757 O ALA A 48 11.154 5.301 -6.551 1.00 0.00 O ATOM 758 CB ALA A 48 12.753 3.021 -8.166 1.00 0.00 C ATOM 0 H ALA A 48 10.888 1.288 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 48 12.141 2.980 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.382 3.904 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.365 2.125 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.282 3.031 -9.149 1.00 0.00 H new ATOM 764 N ALA A 49 9.867 4.290 -7.993 1.00 0.00 N ATOM 765 CA ALA A 49 9.029 5.507 -8.173 1.00 0.00 C ATOM 766 C ALA A 49 8.218 5.754 -6.907 1.00 0.00 C ATOM 767 O ALA A 49 7.900 6.877 -6.569 1.00 0.00 O ATOM 768 CB ALA A 49 8.090 5.315 -9.368 1.00 0.00 C ATOM 0 H ALA A 49 9.583 3.482 -8.547 1.00 0.00 H new ATOM 0 HA ALA A 49 9.671 6.368 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.478 6.208 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.679 5.145 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.444 4.455 -9.189 1.00 0.00 H new ATOM 774 N THR A 50 7.884 4.716 -6.199 1.00 0.00 N ATOM 775 CA THR A 50 7.100 4.896 -4.953 1.00 0.00 C ATOM 776 C THR A 50 7.957 5.634 -3.921 1.00 0.00 C ATOM 777 O THR A 50 7.497 6.541 -3.259 1.00 0.00 O ATOM 778 CB THR A 50 6.698 3.528 -4.397 1.00 0.00 C ATOM 779 OG1 THR A 50 6.324 2.676 -5.470 1.00 0.00 O ATOM 780 CG2 THR A 50 5.519 3.691 -3.438 1.00 0.00 C ATOM 0 H THR A 50 8.120 3.751 -6.430 1.00 0.00 H new ATOM 0 HA THR A 50 6.202 5.476 -5.167 1.00 0.00 H new ATOM 0 HB THR A 50 7.540 3.091 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.067 1.799 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.234 2.716 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.807 4.346 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.674 4.128 -3.971 1.00 0.00 H new ATOM 788 N VAL A 51 9.194 5.243 -3.764 1.00 0.00 N ATOM 789 CA VAL A 51 10.063 5.919 -2.759 1.00 0.00 C ATOM 790 C VAL A 51 10.435 7.329 -3.209 1.00 0.00 C ATOM 791 O VAL A 51 10.305 8.263 -2.457 1.00 0.00 O ATOM 792 CB VAL A 51 11.341 5.102 -2.517 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.395 5.431 -3.580 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.904 5.451 -1.141 1.00 0.00 C ATOM 0 H VAL A 51 9.638 4.488 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 51 9.498 5.989 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 51 11.097 4.041 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.294 4.844 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.002 5.191 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.639 6.492 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.812 4.875 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.137 6.515 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.166 5.213 -0.375 1.00 0.00 H new ATOM 804 N LEU A 52 10.912 7.506 -4.409 1.00 0.00 N ATOM 805 CA LEU A 52 11.282 8.885 -4.823 1.00 0.00 C ATOM 806 C LEU A 52 10.030 9.752 -4.777 1.00 0.00 C ATOM 807 O LEU A 52 10.092 10.934 -4.524 1.00 0.00 O ATOM 808 CB LEU A 52 11.868 8.881 -6.238 1.00 0.00 C ATOM 809 CG LEU A 52 10.908 8.181 -7.200 1.00 0.00 C ATOM 810 CD1 LEU A 52 9.962 9.211 -7.824 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.713 7.496 -8.308 1.00 0.00 C ATOM 0 H LEU A 52 11.059 6.775 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 52 12.039 9.282 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.046 9.904 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.832 8.373 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 52 10.325 7.438 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.279 8.709 -8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.390 9.703 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.543 9.954 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.032 6.996 -8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.294 8.242 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.387 6.762 -7.867 1.00 0.00 H new ATOM 823 N ARG A 53 8.889 9.163 -5.007 1.00 0.00 N ATOM 824 CA ARG A 53 7.628 9.946 -4.966 1.00 0.00 C ATOM 825 C ARG A 53 7.353 10.391 -3.529 1.00 0.00 C ATOM 826 O ARG A 53 7.045 11.539 -3.277 1.00 0.00 O ATOM 827 CB ARG A 53 6.471 9.077 -5.460 1.00 0.00 C ATOM 828 CG ARG A 53 5.144 9.790 -5.186 1.00 0.00 C ATOM 829 CD ARG A 53 4.341 8.996 -4.156 1.00 0.00 C ATOM 830 NE ARG A 53 3.196 8.323 -4.830 1.00 0.00 N ATOM 831 CZ ARG A 53 2.775 7.164 -4.401 1.00 0.00 C ATOM 832 NH1 ARG A 53 2.062 7.092 -3.311 1.00 0.00 N ATOM 833 NH2 ARG A 53 3.069 6.079 -5.063 1.00 0.00 N ATOM 0 H ARG A 53 8.778 8.172 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 53 7.723 10.822 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.578 8.883 -6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.487 8.110 -4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.330 10.799 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.574 9.888 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.979 8.255 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.976 9.661 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 53 2.741 8.768 -5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.833 7.941 -2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.733 6.187 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.627 6.137 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.741 5.173 -4.729 1.00 0.00 H new ATOM 847 N GLN A 54 7.449 9.495 -2.580 1.00 0.00 N ATOM 848 CA GLN A 54 7.173 9.893 -1.168 1.00 0.00 C ATOM 849 C GLN A 54 8.278 10.801 -0.632 1.00 0.00 C ATOM 850 O GLN A 54 8.061 11.624 0.231 1.00 0.00 O ATOM 851 CB GLN A 54 7.067 8.635 -0.295 1.00 0.00 C ATOM 852 CG GLN A 54 8.461 8.035 -0.092 1.00 0.00 C ATOM 853 CD GLN A 54 8.403 6.971 1.004 1.00 0.00 C ATOM 854 OE1 GLN A 54 7.664 6.011 0.900 1.00 0.00 O ATOM 855 NE2 GLN A 54 9.159 7.097 2.060 1.00 0.00 N ATOM 0 H GLN A 54 7.703 8.517 -2.719 1.00 0.00 H new ATOM 0 HA GLN A 54 6.233 10.444 -1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.623 8.885 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.411 7.905 -0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.818 7.594 -1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.169 8.817 0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.780 7.901 2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.129 6.391 2.796 1.00 0.00 H new ATOM 864 N PHE A 55 9.458 10.635 -1.119 1.00 0.00 N ATOM 865 CA PHE A 55 10.603 11.455 -0.636 1.00 0.00 C ATOM 866 C PHE A 55 10.491 12.908 -1.120 1.00 0.00 C ATOM 867 O PHE A 55 10.573 13.833 -0.335 1.00 0.00 O ATOM 868 CB PHE A 55 11.909 10.830 -1.144 1.00 0.00 C ATOM 869 CG PHE A 55 13.072 11.473 -0.431 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.230 11.300 0.948 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.984 12.254 -1.149 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.302 11.910 1.610 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.057 12.861 -0.488 1.00 0.00 C ATOM 874 CZ PHE A 55 15.216 12.691 0.891 1.00 0.00 C ATOM 0 H PHE A 55 9.692 9.957 -1.844 1.00 0.00 H new ATOM 0 HA PHE A 55 10.593 11.468 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.906 9.755 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.001 10.974 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.526 10.696 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.860 12.388 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.424 11.779 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.763 13.461 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.043 13.162 1.401 1.00 0.00 H new ATOM 884 N TYR A 56 10.307 13.131 -2.396 1.00 0.00 N ATOM 885 CA TYR A 56 10.199 14.539 -2.888 1.00 0.00 C ATOM 886 C TYR A 56 8.843 15.152 -2.464 1.00 0.00 C ATOM 887 O TYR A 56 8.789 16.297 -2.063 1.00 0.00 O ATOM 888 CB TYR A 56 10.390 14.610 -4.424 1.00 0.00 C ATOM 889 CG TYR A 56 9.095 14.368 -5.162 1.00 0.00 C ATOM 890 CD1 TYR A 56 8.093 15.344 -5.156 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.900 13.172 -5.865 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.896 15.125 -5.847 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.702 12.953 -6.555 1.00 0.00 C ATOM 894 CZ TYR A 56 6.700 13.929 -6.546 1.00 0.00 C ATOM 895 OH TYR A 56 5.519 13.713 -7.227 1.00 0.00 O ATOM 0 H TYR A 56 10.227 12.409 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 56 10.997 15.125 -2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.786 15.588 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.128 13.870 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.243 16.268 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.674 12.419 -5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.123 15.879 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.551 12.030 -7.095 1.00 0.00 H new ATOM 0 HH TYR A 56 5.553 12.841 -7.672 1.00 0.00 H new ATOM 905 N SER A 57 7.736 14.422 -2.546 1.00 0.00 N ATOM 906 CA SER A 57 6.432 15.024 -2.140 1.00 0.00 C ATOM 907 C SER A 57 6.380 15.201 -0.619 1.00 0.00 C ATOM 908 O SER A 57 5.980 16.232 -0.115 1.00 0.00 O ATOM 909 CB SER A 57 5.290 14.107 -2.583 1.00 0.00 C ATOM 910 OG SER A 57 5.611 13.524 -3.837 1.00 0.00 O ATOM 0 H SER A 57 7.692 13.456 -2.871 1.00 0.00 H new ATOM 0 HA SER A 57 6.329 16.000 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.126 13.328 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.363 14.675 -2.660 1.00 0.00 H new ATOM 0 HG SER A 57 5.690 14.228 -4.514 1.00 0.00 H new ATOM 916 N HIS A 58 6.763 14.193 0.112 1.00 0.00 N ATOM 917 CA HIS A 58 6.719 14.275 1.600 1.00 0.00 C ATOM 918 C HIS A 58 7.727 15.307 2.111 1.00 0.00 C ATOM 919 O HIS A 58 7.530 15.909 3.148 1.00 0.00 O ATOM 920 CB HIS A 58 7.051 12.908 2.198 1.00 0.00 C ATOM 921 CG HIS A 58 6.685 12.898 3.658 1.00 0.00 C ATOM 922 ND1 HIS A 58 7.642 12.881 4.660 1.00 0.00 N ATOM 923 CD2 HIS A 58 5.471 12.902 4.299 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.995 12.876 5.840 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.669 12.888 5.677 1.00 0.00 N ATOM 0 H HIS A 58 7.108 13.308 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 58 5.717 14.579 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.506 12.126 1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.113 12.694 2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.509 12.914 3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.487 12.864 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.955 12.887 6.406 1.00 0.00 H new ATOM 933 N HIS A 59 8.805 15.520 1.408 1.00 0.00 N ATOM 934 CA HIS A 59 9.802 16.508 1.887 1.00 0.00 C ATOM 935 C HIS A 59 9.157 17.889 1.901 1.00 0.00 C ATOM 936 O HIS A 59 9.157 18.538 2.917 1.00 0.00 O ATOM 937 CB HIS A 59 10.987 16.505 0.923 1.00 0.00 C ATOM 938 CG HIS A 59 12.206 15.954 1.615 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.291 16.752 1.944 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.530 14.687 2.036 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.208 15.964 2.536 1.00 0.00 C ATOM 942 NE2 HIS A 59 13.795 14.696 2.617 1.00 0.00 N ATOM 0 H HIS A 59 9.034 15.055 0.530 1.00 0.00 H new ATOM 0 HA HIS A 59 10.142 16.255 2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.752 15.903 0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.184 17.518 0.571 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.378 17.753 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.899 13.817 1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.162 16.314 2.901 1.00 0.00 H new ATOM 950 N GLU A 60 8.574 18.294 0.784 1.00 0.00 N ATOM 951 CA GLU A 60 7.876 19.628 0.660 1.00 0.00 C ATOM 952 C GLU A 60 8.238 20.553 1.823 1.00 0.00 C ATOM 953 O GLU A 60 7.394 21.214 2.396 1.00 0.00 O ATOM 954 CB GLU A 60 6.372 19.383 0.643 1.00 0.00 C ATOM 955 CG GLU A 60 5.914 19.185 -0.802 1.00 0.00 C ATOM 956 CD GLU A 60 4.534 19.817 -0.994 1.00 0.00 C ATOM 957 OE1 GLU A 60 4.305 20.873 -0.429 1.00 0.00 O ATOM 958 OE2 GLU A 60 3.731 19.234 -1.702 1.00 0.00 O ATOM 0 H GLU A 60 8.554 17.738 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 60 8.195 20.115 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.127 18.504 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.848 20.227 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.631 19.638 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.874 18.122 -1.039 1.00 0.00 H new ATOM 965 N LYS A 61 9.490 20.567 2.174 1.00 0.00 N ATOM 966 CA LYS A 61 9.992 21.381 3.318 1.00 0.00 C ATOM 967 C LYS A 61 11.202 20.622 3.869 1.00 0.00 C ATOM 968 O LYS A 61 12.189 20.461 3.180 1.00 0.00 O ATOM 969 CB LYS A 61 8.907 21.524 4.409 1.00 0.00 C ATOM 970 CG LYS A 61 8.268 20.159 4.712 1.00 0.00 C ATOM 971 CD LYS A 61 7.540 20.227 6.055 1.00 0.00 C ATOM 972 CE LYS A 61 6.056 20.519 5.820 1.00 0.00 C ATOM 973 NZ LYS A 61 5.263 19.278 6.054 1.00 0.00 N ATOM 0 H LYS A 61 10.214 20.028 1.699 1.00 0.00 H new ATOM 0 HA LYS A 61 10.256 22.390 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.347 21.936 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.141 22.226 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.569 19.888 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.034 19.384 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.655 19.285 6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.980 21.005 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.719 21.310 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.901 20.876 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.254 19.475 5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.579 18.535 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.402 18.956 7.033 1.00 0.00 H new ATOM 987 N ASP A 62 11.152 20.122 5.078 1.00 0.00 N ATOM 988 CA ASP A 62 12.321 19.362 5.578 1.00 0.00 C ATOM 989 C ASP A 62 13.557 20.249 5.443 1.00 0.00 C ATOM 990 O ASP A 62 14.558 19.874 4.868 1.00 0.00 O ATOM 991 CB ASP A 62 12.481 18.082 4.739 1.00 0.00 C ATOM 992 CG ASP A 62 13.762 17.355 5.155 1.00 0.00 C ATOM 993 OD1 ASP A 62 13.702 16.585 6.100 1.00 0.00 O ATOM 994 OD2 ASP A 62 14.780 17.582 4.521 1.00 0.00 O ATOM 0 H ASP A 62 10.367 20.208 5.724 1.00 0.00 H new ATOM 0 HA ASP A 62 12.188 19.080 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.618 17.431 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.520 18.332 3.679 1.00 0.00 H new ATOM 999 N THR A 63 13.471 21.434 5.978 1.00 0.00 N ATOM 1000 CA THR A 63 14.610 22.393 5.910 1.00 0.00 C ATOM 1001 C THR A 63 15.925 21.658 6.151 1.00 0.00 C ATOM 1002 O THR A 63 16.972 22.100 5.719 1.00 0.00 O ATOM 1003 CB THR A 63 14.429 23.475 6.980 1.00 0.00 C ATOM 1004 OG1 THR A 63 14.484 22.878 8.267 1.00 0.00 O ATOM 1005 CG2 THR A 63 13.077 24.161 6.789 1.00 0.00 C ATOM 0 H THR A 63 12.647 21.785 6.467 1.00 0.00 H new ATOM 0 HA THR A 63 14.632 22.852 4.922 1.00 0.00 H new ATOM 0 HB THR A 63 15.224 24.215 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.370 23.569 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.949 24.930 7.550 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.038 24.618 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.279 23.424 6.880 1.00 0.00 H new ATOM 1013 N ARG A 64 15.878 20.545 6.841 1.00 0.00 N ATOM 1014 CA ARG A 64 17.127 19.768 7.115 1.00 0.00 C ATOM 1015 C ARG A 64 18.078 19.883 5.919 1.00 0.00 C ATOM 1016 O ARG A 64 19.252 20.159 6.070 1.00 0.00 O ATOM 1017 CB ARG A 64 16.772 18.298 7.345 1.00 0.00 C ATOM 1018 CG ARG A 64 15.628 18.201 8.356 1.00 0.00 C ATOM 1019 CD ARG A 64 15.917 17.076 9.351 1.00 0.00 C ATOM 1020 NE ARG A 64 15.924 15.769 8.635 1.00 0.00 N ATOM 1021 CZ ARG A 64 16.639 14.778 9.090 1.00 0.00 C ATOM 1022 NH1 ARG A 64 16.146 13.980 9.999 1.00 0.00 N ATOM 1023 NH2 ARG A 64 17.848 14.583 8.639 1.00 0.00 N ATOM 0 H ARG A 64 15.026 20.140 7.228 1.00 0.00 H new ATOM 0 HA ARG A 64 17.615 20.169 8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 64 16.480 17.832 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.643 17.756 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.515 19.148 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.688 18.010 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.879 17.243 9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.162 17.068 10.137 1.00 0.00 H new ATOM 0 HE ARG A 64 15.369 15.649 7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.202 14.132 10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.705 13.205 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.234 15.206 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.406 13.808 8.996 1.00 0.00 H new ATOM 1037 N CYS A 65 17.573 19.694 4.730 1.00 0.00 N ATOM 1038 CA CYS A 65 18.440 19.814 3.523 1.00 0.00 C ATOM 1039 C CYS A 65 18.777 21.293 3.291 1.00 0.00 C ATOM 1040 O CYS A 65 19.906 21.644 3.011 1.00 0.00 O ATOM 1041 CB CYS A 65 17.701 19.259 2.303 1.00 0.00 C ATOM 1042 SG CYS A 65 18.611 19.684 0.796 1.00 0.00 S ATOM 0 H CYS A 65 16.598 19.462 4.542 1.00 0.00 H new ATOM 0 HA CYS A 65 19.359 19.248 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 65 17.602 18.177 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 65 16.692 19.669 2.259 1.00 0.00 H new ATOM 1047 N LEU A 66 17.803 22.162 3.411 1.00 0.00 N ATOM 1048 CA LEU A 66 18.057 23.620 3.206 1.00 0.00 C ATOM 1049 C LEU A 66 19.393 23.997 3.854 1.00 0.00 C ATOM 1050 O LEU A 66 19.524 24.009 5.063 1.00 0.00 O ATOM 1051 CB LEU A 66 16.924 24.422 3.859 1.00 0.00 C ATOM 1052 CG LEU A 66 15.743 24.532 2.888 1.00 0.00 C ATOM 1053 CD1 LEU A 66 15.376 23.143 2.364 1.00 0.00 C ATOM 1054 CD2 LEU A 66 14.538 25.130 3.618 1.00 0.00 C ATOM 0 H LEU A 66 16.839 21.922 3.643 1.00 0.00 H new ATOM 0 HA LEU A 66 18.096 23.844 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.605 23.935 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.279 25.417 4.130 1.00 0.00 H new ATOM 0 HG LEU A 66 16.023 25.174 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.536 23.225 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.232 22.712 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.098 22.501 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.697 25.209 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.263 24.487 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.794 26.121 3.992 1.00 0.00 H new ATOM 1066 N GLY A 67 20.393 24.281 3.062 1.00 0.00 N ATOM 1067 CA GLY A 67 21.722 24.628 3.642 1.00 0.00 C ATOM 1068 C GLY A 67 22.247 25.957 3.069 1.00 0.00 C ATOM 1069 O GLY A 67 23.044 25.959 2.152 1.00 0.00 O ATOM 0 H GLY A 67 20.347 24.288 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.641 24.703 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 67 22.434 23.830 3.430 1.00 0.00 H new ATOM 1073 N ALA A 68 21.834 27.089 3.598 1.00 0.00 N ATOM 1074 CA ALA A 68 22.354 28.375 3.062 1.00 0.00 C ATOM 1075 C ALA A 68 21.530 29.532 3.625 1.00 0.00 C ATOM 1076 O ALA A 68 22.007 30.293 4.439 1.00 0.00 O ATOM 1077 CB ALA A 68 22.260 28.377 1.534 1.00 0.00 C ATOM 0 H ALA A 68 21.169 27.170 4.367 1.00 0.00 H new ATOM 0 HA ALA A 68 23.397 28.492 3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.642 29.322 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.851 27.554 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 68 21.219 28.257 1.233 1.00 0.00 H new ATOM 1083 N THR A 69 20.297 29.651 3.197 1.00 0.00 N ATOM 1084 CA THR A 69 19.396 30.754 3.682 1.00 0.00 C ATOM 1085 C THR A 69 18.249 30.893 2.696 1.00 0.00 C ATOM 1086 O THR A 69 17.909 29.952 2.013 1.00 0.00 O ATOM 1087 CB THR A 69 20.157 32.093 3.787 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.382 33.021 4.534 1.00 0.00 O ATOM 1089 CG2 THR A 69 20.424 32.654 2.391 1.00 0.00 C ATOM 0 H THR A 69 19.866 29.021 2.520 1.00 0.00 H new ATOM 0 HA THR A 69 19.025 30.505 4.676 1.00 0.00 H new ATOM 0 HB THR A 69 21.109 31.925 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.865 33.871 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.961 33.599 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.025 31.944 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.477 32.820 1.878 1.00 0.00 H new ATOM 1097 N ALA A 70 17.662 32.049 2.579 1.00 0.00 N ATOM 1098 CA ALA A 70 16.564 32.202 1.589 1.00 0.00 C ATOM 1099 C ALA A 70 17.056 31.585 0.283 1.00 0.00 C ATOM 1100 O ALA A 70 16.290 31.111 -0.532 1.00 0.00 O ATOM 1101 CB ALA A 70 16.250 33.686 1.382 1.00 0.00 C ATOM 0 H ALA A 70 17.891 32.884 3.118 1.00 0.00 H new ATOM 0 HA ALA A 70 15.654 31.711 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.444 33.789 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.943 34.129 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.139 34.198 1.014 1.00 0.00 H new ATOM 1107 N GLN A 71 18.352 31.571 0.101 1.00 0.00 N ATOM 1108 CA GLN A 71 18.930 30.965 -1.126 1.00 0.00 C ATOM 1109 C GLN A 71 18.748 29.448 -1.055 1.00 0.00 C ATOM 1110 O GLN A 71 18.266 28.829 -1.982 1.00 0.00 O ATOM 1111 CB GLN A 71 20.420 31.299 -1.211 1.00 0.00 C ATOM 1112 CG GLN A 71 20.608 32.816 -1.121 1.00 0.00 C ATOM 1113 CD GLN A 71 20.141 33.466 -2.424 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.946 33.834 -3.257 1.00 0.00 O ATOM 1115 NE2 GLN A 71 18.863 33.627 -2.638 1.00 0.00 N ATOM 0 H GLN A 71 19.034 31.956 0.755 1.00 0.00 H new ATOM 0 HA GLN A 71 18.426 31.360 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.961 30.806 -0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.835 30.925 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.041 33.214 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.656 33.053 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.186 33.319 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.541 34.061 -3.503 1.00 0.00 H new ATOM 1124 N GLN A 72 19.122 28.843 0.046 1.00 0.00 N ATOM 1125 CA GLN A 72 18.954 27.368 0.163 1.00 0.00 C ATOM 1126 C GLN A 72 17.491 27.026 -0.140 1.00 0.00 C ATOM 1127 O GLN A 72 17.177 25.976 -0.663 1.00 0.00 O ATOM 1128 CB GLN A 72 19.328 26.890 1.590 1.00 0.00 C ATOM 1129 CG GLN A 72 18.134 27.105 2.507 1.00 0.00 C ATOM 1130 CD GLN A 72 18.595 27.329 3.948 1.00 0.00 C ATOM 1131 OE1 GLN A 72 19.243 26.482 4.527 1.00 0.00 O ATOM 1132 NE2 GLN A 72 18.273 28.434 4.561 1.00 0.00 N ATOM 0 H GLN A 72 19.532 29.304 0.859 1.00 0.00 H new ATOM 0 HA GLN A 72 19.613 26.864 -0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.607 25.836 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 72 20.192 27.443 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.557 27.965 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.473 26.239 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.728 29.147 4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.566 28.586 5.526 1.00 0.00 H new ATOM 1141 N PHE A 73 16.596 27.917 0.196 1.00 0.00 N ATOM 1142 CA PHE A 73 15.152 27.663 -0.059 1.00 0.00 C ATOM 1143 C PHE A 73 14.911 27.534 -1.565 1.00 0.00 C ATOM 1144 O PHE A 73 14.197 26.661 -2.014 1.00 0.00 O ATOM 1145 CB PHE A 73 14.322 28.820 0.507 1.00 0.00 C ATOM 1146 CG PHE A 73 12.853 28.502 0.365 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.258 27.561 1.214 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.087 29.147 -0.612 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.896 27.264 1.085 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.724 28.851 -0.741 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.129 27.909 0.107 1.00 0.00 C ATOM 0 H PHE A 73 16.806 28.812 0.638 1.00 0.00 H new ATOM 0 HA PHE A 73 14.853 26.736 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.570 28.981 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.558 29.744 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.850 27.064 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.546 29.873 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.437 26.538 1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.132 29.349 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.078 27.680 0.007 1.00 0.00 H new ATOM 1161 N HIS A 74 15.502 28.394 -2.353 1.00 0.00 N ATOM 1162 CA HIS A 74 15.300 28.306 -3.824 1.00 0.00 C ATOM 1163 C HIS A 74 15.776 26.952 -4.319 1.00 0.00 C ATOM 1164 O HIS A 74 15.225 26.363 -5.228 1.00 0.00 O ATOM 1165 CB HIS A 74 16.094 29.413 -4.511 1.00 0.00 C ATOM 1166 CG HIS A 74 15.183 30.207 -5.406 1.00 0.00 C ATOM 1167 ND1 HIS A 74 14.573 29.653 -6.519 1.00 0.00 N ATOM 1168 CD2 HIS A 74 14.769 31.516 -5.364 1.00 0.00 C ATOM 1169 CE1 HIS A 74 13.831 30.615 -7.097 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.914 31.770 -6.433 1.00 0.00 N ATOM 0 H HIS A 74 16.112 29.149 -2.041 1.00 0.00 H new ATOM 0 HA HIS A 74 14.241 28.423 -4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.547 30.066 -3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 74 16.908 28.982 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.062 32.238 -4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.240 30.470 -7.989 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.451 32.650 -6.660 1.00 0.00 H new ATOM 1178 N ARG A 75 16.791 26.467 -3.705 1.00 0.00 N ATOM 1179 CA ARG A 75 17.350 25.139 -4.084 1.00 0.00 C ATOM 1180 C ARG A 75 16.365 24.049 -3.665 1.00 0.00 C ATOM 1181 O ARG A 75 16.282 23.004 -4.274 1.00 0.00 O ATOM 1182 CB ARG A 75 18.686 24.924 -3.370 1.00 0.00 C ATOM 1183 CG ARG A 75 19.806 24.823 -4.406 1.00 0.00 C ATOM 1184 CD ARG A 75 21.155 25.063 -3.723 1.00 0.00 C ATOM 1185 NE ARG A 75 21.790 26.283 -4.296 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.041 26.253 -4.667 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.478 25.276 -5.412 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.855 27.202 -4.293 1.00 0.00 N ATOM 0 H ARG A 75 17.277 26.933 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 75 17.509 25.099 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.882 25.750 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.648 24.015 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.794 23.840 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.651 25.556 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.015 25.183 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.806 24.200 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 75 21.248 27.141 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.842 24.534 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.456 25.253 -5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.514 27.967 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.833 27.179 -4.583 1.00 0.00 H new ATOM 1202 N HIS A 76 15.618 24.291 -2.622 1.00 0.00 N ATOM 1203 CA HIS A 76 14.632 23.275 -2.153 1.00 0.00 C ATOM 1204 C HIS A 76 13.521 23.124 -3.196 1.00 0.00 C ATOM 1205 O HIS A 76 13.150 22.028 -3.563 1.00 0.00 O ATOM 1206 CB HIS A 76 14.032 23.728 -0.816 1.00 0.00 C ATOM 1207 CG HIS A 76 12.780 22.947 -0.520 1.00 0.00 C ATOM 1208 ND1 HIS A 76 12.645 21.606 -0.846 1.00 0.00 N ATOM 1209 CD2 HIS A 76 11.596 23.311 0.067 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.416 21.217 -0.454 1.00 0.00 C ATOM 1211 NE2 HIS A 76 10.735 22.219 0.108 1.00 0.00 N ATOM 0 H HIS A 76 15.648 25.150 -2.073 1.00 0.00 H new ATOM 0 HA HIS A 76 15.130 22.315 -2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.758 23.584 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.805 24.794 -0.853 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.347 21.021 -1.299 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.366 24.298 0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.029 20.217 -0.579 1.00 0.00 H new ATOM 1219 N LYS A 77 12.982 24.213 -3.671 1.00 0.00 N ATOM 1220 CA LYS A 77 11.892 24.119 -4.686 1.00 0.00 C ATOM 1221 C LYS A 77 12.446 23.532 -5.986 1.00 0.00 C ATOM 1222 O LYS A 77 11.793 22.754 -6.654 1.00 0.00 O ATOM 1223 CB LYS A 77 11.313 25.511 -4.958 1.00 0.00 C ATOM 1224 CG LYS A 77 10.399 25.920 -3.801 1.00 0.00 C ATOM 1225 CD LYS A 77 9.311 26.865 -4.317 1.00 0.00 C ATOM 1226 CE LYS A 77 7.947 26.401 -3.805 1.00 0.00 C ATOM 1227 NZ LYS A 77 6.879 26.896 -4.718 1.00 0.00 N ATOM 0 H LYS A 77 13.247 25.161 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 77 11.104 23.470 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.119 26.236 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.753 25.507 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.945 25.036 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.981 26.410 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.510 27.883 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.316 26.881 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.918 25.313 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.779 26.775 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.951 26.581 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.902 27.935 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.037 26.518 -5.674 1.00 0.00 H new ATOM 1241 N GLN A 78 13.644 23.896 -6.356 1.00 0.00 N ATOM 1242 CA GLN A 78 14.234 23.360 -7.617 1.00 0.00 C ATOM 1243 C GLN A 78 14.566 21.875 -7.443 1.00 0.00 C ATOM 1244 O GLN A 78 14.531 21.107 -8.382 1.00 0.00 O ATOM 1245 CB GLN A 78 15.514 24.131 -7.946 1.00 0.00 C ATOM 1246 CG GLN A 78 16.145 23.552 -9.213 1.00 0.00 C ATOM 1247 CD GLN A 78 15.453 24.142 -10.443 1.00 0.00 C ATOM 1248 OE1 GLN A 78 14.816 23.432 -11.195 1.00 0.00 O ATOM 1249 NE2 GLN A 78 15.553 25.421 -10.681 1.00 0.00 N ATOM 0 H GLN A 78 14.241 24.542 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 78 13.516 23.476 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.288 25.188 -8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.215 24.065 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.211 23.780 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.051 22.466 -9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.088 26.017 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.096 25.825 -11.499 1.00 0.00 H new ATOM 1258 N LEU A 79 14.882 21.466 -6.245 1.00 0.00 N ATOM 1259 CA LEU A 79 15.207 20.042 -6.006 1.00 0.00 C ATOM 1260 C LEU A 79 13.931 19.238 -6.128 1.00 0.00 C ATOM 1261 O LEU A 79 13.883 18.275 -6.837 1.00 0.00 O ATOM 1262 CB LEU A 79 15.802 19.862 -4.605 1.00 0.00 C ATOM 1263 CG LEU A 79 17.241 20.381 -4.590 1.00 0.00 C ATOM 1264 CD1 LEU A 79 17.540 21.019 -3.231 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.202 19.217 -4.828 1.00 0.00 C ATOM 0 H LEU A 79 14.928 22.065 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 79 15.941 19.701 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.202 20.401 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.781 18.810 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 79 17.368 21.126 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 18.565 21.389 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.853 21.848 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.414 20.275 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.228 19.584 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.075 18.474 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.989 18.762 -5.795 1.00 0.00 H new ATOM 1277 N ILE A 80 12.892 19.633 -5.458 1.00 0.00 N ATOM 1278 CA ILE A 80 11.620 18.878 -5.577 1.00 0.00 C ATOM 1279 C ILE A 80 11.126 18.965 -7.019 1.00 0.00 C ATOM 1280 O ILE A 80 10.471 18.076 -7.509 1.00 0.00 O ATOM 1281 CB ILE A 80 10.567 19.456 -4.630 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.144 19.549 -3.216 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.337 18.547 -4.618 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.842 18.235 -2.858 1.00 0.00 C ATOM 0 H ILE A 80 12.867 20.441 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 80 11.791 17.836 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 80 10.282 20.451 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.851 20.376 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.348 19.756 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.587 18.959 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.923 18.482 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.623 17.552 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.252 18.304 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.123 17.417 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.649 18.047 -3.566 1.00 0.00 H new ATOM 1296 N ARG A 81 11.444 20.020 -7.715 1.00 0.00 N ATOM 1297 CA ARG A 81 11.002 20.115 -9.128 1.00 0.00 C ATOM 1298 C ARG A 81 11.723 19.016 -9.903 1.00 0.00 C ATOM 1299 O ARG A 81 11.153 18.338 -10.730 1.00 0.00 O ATOM 1300 CB ARG A 81 11.384 21.481 -9.696 1.00 0.00 C ATOM 1301 CG ARG A 81 10.204 22.055 -10.484 1.00 0.00 C ATOM 1302 CD ARG A 81 10.338 23.576 -10.569 1.00 0.00 C ATOM 1303 NE ARG A 81 9.290 24.215 -9.722 1.00 0.00 N ATOM 1304 CZ ARG A 81 9.243 25.514 -9.611 1.00 0.00 C ATOM 1305 NH1 ARG A 81 9.842 26.266 -10.493 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.598 26.061 -8.617 1.00 0.00 N ATOM 0 H ARG A 81 11.986 20.812 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 81 9.921 19.999 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.659 22.159 -8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.256 21.386 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.178 21.625 -11.485 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.265 21.789 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.329 23.884 -10.235 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.235 23.904 -11.603 1.00 0.00 H new ATOM 0 HE ARG A 81 8.610 23.636 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.347 25.838 -11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.805 27.282 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.131 25.473 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.561 27.077 -8.530 1.00 0.00 H new ATOM 1320 N PHE A 82 12.987 18.848 -9.623 1.00 0.00 N ATOM 1321 CA PHE A 82 13.791 17.798 -10.308 1.00 0.00 C ATOM 1322 C PHE A 82 13.368 16.408 -9.824 1.00 0.00 C ATOM 1323 O PHE A 82 13.153 15.513 -10.616 1.00 0.00 O ATOM 1324 CB PHE A 82 15.279 18.042 -10.002 1.00 0.00 C ATOM 1325 CG PHE A 82 16.082 16.772 -10.150 1.00 0.00 C ATOM 1326 CD1 PHE A 82 16.404 16.303 -11.422 1.00 0.00 C ATOM 1327 CD2 PHE A 82 16.515 16.079 -9.014 1.00 0.00 C ATOM 1328 CE1 PHE A 82 17.161 15.136 -11.568 1.00 0.00 C ATOM 1329 CE2 PHE A 82 17.270 14.910 -9.156 1.00 0.00 C ATOM 1330 CZ PHE A 82 17.595 14.437 -10.434 1.00 0.00 C ATOM 0 H PHE A 82 13.503 19.402 -8.939 1.00 0.00 H new ATOM 0 HA PHE A 82 13.624 17.847 -11.384 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.671 18.804 -10.675 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.386 18.427 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 82 16.069 16.841 -12.296 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.267 16.446 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 82 17.411 14.774 -12.554 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.602 14.372 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 82 18.179 13.535 -10.545 1.00 0.00 H new ATOM 1340 N LEU A 83 13.256 16.204 -8.538 1.00 0.00 N ATOM 1341 CA LEU A 83 12.859 14.854 -8.056 1.00 0.00 C ATOM 1342 C LEU A 83 11.512 14.496 -8.648 1.00 0.00 C ATOM 1343 O LEU A 83 11.316 13.455 -9.238 1.00 0.00 O ATOM 1344 CB LEU A 83 12.745 14.885 -6.542 1.00 0.00 C ATOM 1345 CG LEU A 83 14.118 14.624 -5.930 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.013 14.648 -4.403 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.633 13.254 -6.381 1.00 0.00 C ATOM 0 H LEU A 83 13.420 16.902 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 83 13.603 14.116 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.365 15.853 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.034 14.132 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 83 14.810 15.399 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.995 14.461 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.652 15.624 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.318 13.876 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.614 13.071 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.939 12.479 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.713 13.235 -7.468 1.00 0.00 H new ATOM 1359 N LYS A 84 10.603 15.382 -8.491 1.00 0.00 N ATOM 1360 CA LYS A 84 9.232 15.185 -9.030 1.00 0.00 C ATOM 1361 C LYS A 84 9.301 15.104 -10.548 1.00 0.00 C ATOM 1362 O LYS A 84 8.508 14.429 -11.175 1.00 0.00 O ATOM 1363 CB LYS A 84 8.342 16.361 -8.618 1.00 0.00 C ATOM 1364 CG LYS A 84 6.935 16.158 -9.183 1.00 0.00 C ATOM 1365 CD LYS A 84 6.635 17.251 -10.212 1.00 0.00 C ATOM 1366 CE LYS A 84 5.759 18.329 -9.569 1.00 0.00 C ATOM 1367 NZ LYS A 84 4.596 18.616 -10.456 1.00 0.00 N ATOM 0 H LYS A 84 10.743 16.265 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 84 8.811 14.262 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.302 16.437 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.763 17.296 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.857 15.175 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.200 16.190 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.565 17.690 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.128 16.823 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.411 17.995 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.340 19.237 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.711 19.556 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.545 17.897 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.719 18.595 -9.897 1.00 0.00 H new ATOM 1381 N ARG A 85 10.250 15.763 -11.161 1.00 0.00 N ATOM 1382 CA ARG A 85 10.341 15.670 -12.634 1.00 0.00 C ATOM 1383 C ARG A 85 10.538 14.206 -12.981 1.00 0.00 C ATOM 1384 O ARG A 85 9.887 13.652 -13.844 1.00 0.00 O ATOM 1385 CB ARG A 85 11.528 16.493 -13.142 1.00 0.00 C ATOM 1386 CG ARG A 85 11.319 16.830 -14.621 1.00 0.00 C ATOM 1387 CD ARG A 85 12.674 16.877 -15.329 1.00 0.00 C ATOM 1388 NE ARG A 85 12.673 15.917 -16.469 1.00 0.00 N ATOM 1389 CZ ARG A 85 12.696 16.360 -17.696 1.00 0.00 C ATOM 1390 NH1 ARG A 85 12.109 17.486 -17.995 1.00 0.00 N ATOM 1391 NH2 ARG A 85 13.309 15.677 -18.625 1.00 0.00 N ATOM 0 H ARG A 85 10.951 16.350 -10.709 1.00 0.00 H new ATOM 0 HA ARG A 85 9.437 16.061 -13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.625 17.409 -12.559 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.454 15.933 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.678 16.082 -15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.812 17.790 -14.718 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.873 17.886 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.471 16.626 -14.629 1.00 0.00 H new ATOM 0 HE ARG A 85 12.654 14.913 -16.290 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.632 18.021 -17.269 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.127 17.832 -18.954 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.770 14.797 -18.391 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.327 16.023 -19.584 1.00 0.00 H new ATOM 1405 N LEU A 86 11.437 13.582 -12.291 1.00 0.00 N ATOM 1406 CA LEU A 86 11.706 12.142 -12.537 1.00 0.00 C ATOM 1407 C LEU A 86 10.542 11.276 -12.038 1.00 0.00 C ATOM 1408 O LEU A 86 10.307 10.218 -12.563 1.00 0.00 O ATOM 1409 CB LEU A 86 12.995 11.717 -11.826 1.00 0.00 C ATOM 1410 CG LEU A 86 13.368 10.295 -12.269 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.292 10.197 -13.795 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.791 9.965 -11.815 1.00 0.00 C ATOM 0 H LEU A 86 12.005 14.008 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 86 11.817 11.998 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.802 12.409 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.857 11.750 -10.745 1.00 0.00 H new ATOM 0 HG LEU A 86 12.671 9.588 -11.819 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.557 9.187 -14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.278 10.425 -14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.987 10.909 -14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.049 8.955 -12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.489 10.675 -12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.851 10.030 -10.729 1.00 0.00 H new ATOM 1424 N ASP A 87 9.815 11.678 -11.018 1.00 0.00 N ATOM 1425 CA ASP A 87 8.704 10.806 -10.538 1.00 0.00 C ATOM 1426 C ASP A 87 7.589 10.720 -11.589 1.00 0.00 C ATOM 1427 O ASP A 87 7.130 9.648 -11.928 1.00 0.00 O ATOM 1428 CB ASP A 87 8.140 11.376 -9.237 1.00 0.00 C ATOM 1429 CG ASP A 87 6.949 10.528 -8.784 1.00 0.00 C ATOM 1430 OD1 ASP A 87 7.058 9.313 -8.837 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.949 11.106 -8.393 1.00 0.00 O ATOM 0 H ASP A 87 9.942 12.553 -10.510 1.00 0.00 H new ATOM 0 HA ASP A 87 9.094 9.803 -10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.910 11.382 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.829 12.410 -9.385 1.00 0.00 H new ATOM 1436 N ARG A 88 7.139 11.834 -12.097 1.00 0.00 N ATOM 1437 CA ARG A 88 6.044 11.809 -13.113 1.00 0.00 C ATOM 1438 C ARG A 88 6.555 11.234 -14.443 1.00 0.00 C ATOM 1439 O ARG A 88 5.861 10.509 -15.128 1.00 0.00 O ATOM 1440 CB ARG A 88 5.546 13.236 -13.344 1.00 0.00 C ATOM 1441 CG ARG A 88 4.081 13.342 -12.918 1.00 0.00 C ATOM 1442 CD ARG A 88 3.865 14.647 -12.150 1.00 0.00 C ATOM 1443 NE ARG A 88 2.457 15.101 -12.327 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.713 15.343 -11.281 1.00 0.00 C ATOM 1445 NH1 ARG A 88 2.082 16.243 -10.411 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.601 14.684 -11.106 1.00 0.00 N ATOM 0 H ARG A 88 7.482 12.763 -11.853 1.00 0.00 H new ATOM 0 HA ARG A 88 5.234 11.179 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.153 13.940 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.650 13.503 -14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.434 13.312 -13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.811 12.491 -12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.080 14.498 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.553 15.412 -12.511 1.00 0.00 H new ATOM 0 HE ARG A 88 2.074 15.223 -13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.952 16.758 -10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.501 16.432 -9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.313 13.980 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.020 14.872 -10.289 1.00 0.00 H new ATOM 1460 N ASN A 89 7.756 11.578 -14.817 1.00 0.00 N ATOM 1461 CA ASN A 89 8.322 11.079 -16.128 1.00 0.00 C ATOM 1462 C ASN A 89 8.649 9.583 -16.055 1.00 0.00 C ATOM 1463 O ASN A 89 8.529 8.873 -17.031 1.00 0.00 O ATOM 1464 CB ASN A 89 9.594 11.884 -16.507 1.00 0.00 C ATOM 1465 CG ASN A 89 10.667 10.966 -17.111 1.00 0.00 C ATOM 1466 OD1 ASN A 89 10.455 10.367 -18.148 1.00 0.00 O ATOM 1467 ND2 ASN A 89 11.810 10.827 -16.498 1.00 0.00 N ATOM 0 H ASN A 89 8.379 12.182 -14.281 1.00 0.00 H new ATOM 0 HA ASN A 89 7.565 11.225 -16.898 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.335 12.665 -17.221 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.992 12.381 -15.622 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.527 10.215 -16.888 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.987 11.330 -15.628 1.00 0.00 H new ATOM 1474 N LEU A 90 9.096 9.106 -14.934 1.00 0.00 N ATOM 1475 CA LEU A 90 9.458 7.690 -14.827 1.00 0.00 C ATOM 1476 C LEU A 90 8.262 6.825 -15.234 1.00 0.00 C ATOM 1477 O LEU A 90 8.405 5.871 -15.971 1.00 0.00 O ATOM 1478 CB LEU A 90 9.871 7.420 -13.382 1.00 0.00 C ATOM 1479 CG LEU A 90 10.781 6.201 -13.338 1.00 0.00 C ATOM 1480 CD1 LEU A 90 10.938 5.718 -11.896 1.00 0.00 C ATOM 1481 CD2 LEU A 90 10.159 5.110 -14.184 1.00 0.00 C ATOM 0 H LEU A 90 9.224 9.651 -14.081 1.00 0.00 H new ATOM 0 HA LEU A 90 10.287 7.445 -15.491 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.387 8.288 -12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.988 7.252 -12.765 1.00 0.00 H new ATOM 0 HG LEU A 90 11.767 6.457 -13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.591 4.845 -11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.374 6.513 -11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.961 5.451 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.797 4.227 -14.165 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.177 4.856 -13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.055 5.461 -15.211 1.00 0.00 H new ATOM 1493 N TRP A 91 7.083 7.151 -14.786 1.00 0.00 N ATOM 1494 CA TRP A 91 5.911 6.343 -15.180 1.00 0.00 C ATOM 1495 C TRP A 91 5.939 6.180 -16.703 1.00 0.00 C ATOM 1496 O TRP A 91 5.604 5.140 -17.233 1.00 0.00 O ATOM 1497 CB TRP A 91 4.632 7.060 -14.732 1.00 0.00 C ATOM 1498 CG TRP A 91 4.591 7.128 -13.244 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.463 8.266 -12.539 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.665 6.045 -12.272 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.458 7.961 -11.189 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.579 6.602 -10.975 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.797 4.650 -12.389 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.624 5.802 -9.831 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.842 3.842 -11.241 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.757 4.418 -9.965 1.00 0.00 C ATOM 0 H TRP A 91 6.887 7.938 -14.168 1.00 0.00 H new ATOM 0 HA TRP A 91 5.935 5.360 -14.709 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.600 8.065 -15.153 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.756 6.530 -15.106 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.378 9.258 -12.958 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.375 8.654 -10.445 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.864 4.197 -13.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.556 6.250 -8.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.943 2.771 -11.341 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.794 3.791 -9.086 1.00 0.00 H new ATOM 1517 N GLY A 92 6.368 7.196 -17.413 1.00 0.00 N ATOM 1518 CA GLY A 92 6.455 7.091 -18.895 1.00 0.00 C ATOM 1519 C GLY A 92 7.603 6.147 -19.269 1.00 0.00 C ATOM 1520 O GLY A 92 7.461 5.276 -20.104 1.00 0.00 O ATOM 0 H GLY A 92 6.661 8.093 -17.025 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.515 6.717 -19.300 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.622 8.076 -19.332 1.00 0.00 H new ATOM 1524 N LEU A 93 8.742 6.329 -18.655 1.00 0.00 N ATOM 1525 CA LEU A 93 9.915 5.473 -18.955 1.00 0.00 C ATOM 1526 C LEU A 93 9.513 3.991 -18.895 1.00 0.00 C ATOM 1527 O LEU A 93 9.919 3.202 -19.724 1.00 0.00 O ATOM 1528 CB LEU A 93 11.010 5.784 -17.932 1.00 0.00 C ATOM 1529 CG LEU A 93 12.397 5.420 -18.485 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.308 4.254 -19.474 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.008 6.639 -19.185 1.00 0.00 C ATOM 0 H LEU A 93 8.906 7.046 -17.949 1.00 0.00 H new ATOM 0 HA LEU A 93 10.287 5.676 -19.959 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.983 6.843 -17.675 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.823 5.228 -17.013 1.00 0.00 H new ATOM 0 HG LEU A 93 13.029 5.116 -17.650 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.304 4.018 -19.849 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.894 3.381 -18.970 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.663 4.532 -20.307 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.991 6.379 -19.576 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.361 6.949 -20.006 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.106 7.457 -18.471 1.00 0.00 H new ATOM 1543 N ALA A 94 8.706 3.602 -17.938 1.00 0.00 N ATOM 1544 CA ALA A 94 8.281 2.176 -17.865 1.00 0.00 C ATOM 1545 C ALA A 94 6.889 2.046 -18.494 1.00 0.00 C ATOM 1546 O ALA A 94 6.754 1.731 -19.659 1.00 0.00 O ATOM 1547 CB ALA A 94 8.237 1.726 -16.403 1.00 0.00 C ATOM 0 H ALA A 94 8.327 4.208 -17.210 1.00 0.00 H new ATOM 0 HA ALA A 94 8.989 1.547 -18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.926 0.683 -16.353 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.227 1.831 -15.960 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.526 2.343 -15.853 1.00 0.00 H new ATOM 1553 N GLY A 95 5.853 2.295 -17.738 1.00 0.00 N ATOM 1554 CA GLY A 95 4.478 2.195 -18.298 1.00 0.00 C ATOM 1555 C GLY A 95 3.494 1.889 -17.169 1.00 0.00 C ATOM 1556 O GLY A 95 2.631 2.682 -16.847 1.00 0.00 O ATOM 0 H GLY A 95 5.902 2.564 -16.755 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.205 3.128 -18.791 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.437 1.411 -19.054 1.00 0.00 H new ATOM 1560 N LEU A 96 3.617 0.739 -16.574 1.00 0.00 N ATOM 1561 CA LEU A 96 2.683 0.366 -15.465 1.00 0.00 C ATOM 1562 C LEU A 96 2.724 1.419 -14.369 1.00 0.00 C ATOM 1563 O LEU A 96 3.650 2.200 -14.261 1.00 0.00 O ATOM 1564 CB LEU A 96 3.045 -1.014 -14.894 1.00 0.00 C ATOM 1565 CG LEU A 96 2.438 -1.233 -13.509 1.00 0.00 C ATOM 1566 CD1 LEU A 96 2.272 -2.735 -13.266 1.00 0.00 C ATOM 1567 CD2 LEU A 96 3.373 -0.656 -12.447 1.00 0.00 C ATOM 0 H LEU A 96 4.321 0.038 -16.803 1.00 0.00 H new ATOM 0 HA LEU A 96 1.671 0.316 -15.867 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.693 -1.791 -15.572 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.129 -1.110 -14.835 1.00 0.00 H new ATOM 0 HG LEU A 96 1.469 -0.738 -13.452 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.839 -2.898 -12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.613 -3.156 -14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.246 -3.222 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.941 -0.812 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.340 -1.156 -12.503 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.506 0.412 -12.621 1.00 0.00 H new ATOM 1579 N ASN A 97 1.707 1.447 -13.566 1.00 0.00 N ATOM 1580 CA ASN A 97 1.637 2.453 -12.467 1.00 0.00 C ATOM 1581 C ASN A 97 0.725 1.946 -11.344 1.00 0.00 C ATOM 1582 O ASN A 97 -0.263 2.568 -11.009 1.00 0.00 O ATOM 1583 CB ASN A 97 1.067 3.753 -13.028 1.00 0.00 C ATOM 1584 CG ASN A 97 1.464 4.919 -12.122 1.00 0.00 C ATOM 1585 OD1 ASN A 97 2.233 4.749 -11.194 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.970 6.105 -12.350 1.00 0.00 N ATOM 0 H ASN A 97 0.910 0.812 -13.620 1.00 0.00 H new ATOM 0 HA ASN A 97 2.636 2.619 -12.064 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.441 3.920 -14.038 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.019 3.686 -13.097 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.228 6.889 -11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.326 6.248 -13.128 1.00 0.00 H new ATOM 1593 N SER A 98 1.050 0.828 -10.758 1.00 0.00 N ATOM 1594 CA SER A 98 0.206 0.284 -9.656 1.00 0.00 C ATOM 1595 C SER A 98 1.071 -0.601 -8.743 1.00 0.00 C ATOM 1596 O SER A 98 1.218 -1.782 -8.986 1.00 0.00 O ATOM 1597 CB SER A 98 -0.920 -0.563 -10.256 1.00 0.00 C ATOM 1598 OG SER A 98 -0.782 -0.603 -11.669 1.00 0.00 O ATOM 0 H SER A 98 1.867 0.265 -10.995 1.00 0.00 H new ATOM 0 HA SER A 98 -0.217 1.106 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.886 -1.573 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.889 -0.143 -9.986 1.00 0.00 H new ATOM 0 HG SER A 98 -1.502 -1.146 -12.053 1.00 0.00 H new ATOM 1604 N CYS A 99 1.651 -0.058 -7.696 1.00 0.00 N ATOM 1605 CA CYS A 99 2.492 -0.900 -6.802 1.00 0.00 C ATOM 1606 C CYS A 99 3.059 -0.050 -5.653 1.00 0.00 C ATOM 1607 O CYS A 99 4.259 0.035 -5.491 1.00 0.00 O ATOM 1608 CB CYS A 99 3.654 -1.472 -7.616 1.00 0.00 C ATOM 1609 SG CYS A 99 4.712 -0.115 -8.180 1.00 0.00 S ATOM 0 H CYS A 99 1.576 0.924 -7.429 1.00 0.00 H new ATOM 0 HA CYS A 99 1.884 -1.703 -6.386 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.230 -2.170 -7.008 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.274 -2.032 -8.471 1.00 0.00 H new ATOM 1614 N PRO A 100 2.185 0.564 -4.889 1.00 0.00 N ATOM 1615 CA PRO A 100 2.572 1.431 -3.742 1.00 0.00 C ATOM 1616 C PRO A 100 2.637 0.623 -2.440 1.00 0.00 C ATOM 1617 O PRO A 100 2.325 1.123 -1.378 1.00 0.00 O ATOM 1618 CB PRO A 100 1.430 2.441 -3.700 1.00 0.00 C ATOM 1619 CG PRO A 100 0.218 1.779 -4.362 1.00 0.00 C ATOM 1620 CD PRO A 100 0.701 0.494 -5.049 1.00 0.00 C ATOM 0 HA PRO A 100 3.556 1.886 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.202 2.722 -2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.705 3.355 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.546 1.551 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.236 2.453 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.286 -0.396 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.409 0.464 -6.099 1.00 0.00 H new ATOM 1628 N VAL A 101 3.041 -0.617 -2.511 1.00 0.00 N ATOM 1629 CA VAL A 101 3.122 -1.447 -1.275 1.00 0.00 C ATOM 1630 C VAL A 101 4.038 -2.647 -1.523 1.00 0.00 C ATOM 1631 O VAL A 101 3.582 -3.749 -1.756 1.00 0.00 O ATOM 1632 CB VAL A 101 1.724 -1.952 -0.901 1.00 0.00 C ATOM 1633 CG1 VAL A 101 1.830 -2.915 0.284 1.00 0.00 C ATOM 1634 CG2 VAL A 101 0.836 -0.768 -0.517 1.00 0.00 C ATOM 0 H VAL A 101 3.318 -1.091 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 101 3.522 -0.841 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 101 1.287 -2.470 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.836 -3.275 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.461 -3.761 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.269 -2.396 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.157 -1.129 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.272 -0.247 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.759 -0.082 -1.361 1.00 0.00 H new ATOM 1644 N LYS A 102 5.327 -2.447 -1.475 1.00 0.00 N ATOM 1645 CA LYS A 102 6.261 -3.583 -1.709 1.00 0.00 C ATOM 1646 C LYS A 102 7.687 -3.157 -1.369 1.00 0.00 C ATOM 1647 O LYS A 102 8.506 -2.934 -2.239 1.00 0.00 O ATOM 1648 CB LYS A 102 6.191 -4.014 -3.175 1.00 0.00 C ATOM 1649 CG LYS A 102 6.772 -5.421 -3.322 1.00 0.00 C ATOM 1650 CD LYS A 102 5.632 -6.436 -3.426 1.00 0.00 C ATOM 1651 CE LYS A 102 5.360 -7.044 -2.049 1.00 0.00 C ATOM 1652 NZ LYS A 102 5.265 -8.526 -2.170 1.00 0.00 N ATOM 0 H LYS A 102 5.772 -1.549 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 102 5.974 -4.420 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.157 -3.998 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.746 -3.313 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.403 -5.475 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.405 -5.656 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.733 -5.950 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.894 -7.221 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.158 -6.775 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.434 -6.642 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.080 -8.940 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.489 -8.772 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.160 -8.902 -2.544 1.00 0.00 H new ATOM 1666 N GLU A 103 7.988 -3.046 -0.107 1.00 0.00 N ATOM 1667 CA GLU A 103 9.363 -2.638 0.307 1.00 0.00 C ATOM 1668 C GLU A 103 9.410 -2.490 1.832 1.00 0.00 C ATOM 1669 O GLU A 103 8.604 -1.796 2.420 1.00 0.00 O ATOM 1670 CB GLU A 103 9.714 -1.295 -0.345 1.00 0.00 C ATOM 1671 CG GLU A 103 11.221 -1.220 -0.605 1.00 0.00 C ATOM 1672 CD GLU A 103 11.983 -1.642 0.651 1.00 0.00 C ATOM 1673 OE1 GLU A 103 11.622 -1.181 1.722 1.00 0.00 O ATOM 1674 OE2 GLU A 103 12.914 -2.418 0.521 1.00 0.00 O ATOM 0 H GLU A 103 7.340 -3.220 0.661 1.00 0.00 H new ATOM 0 HA GLU A 103 10.080 -3.395 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.168 -1.182 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.407 -0.475 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.488 -1.869 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.501 -0.205 -0.888 1.00 0.00 H new ATOM 1681 N ALA A 104 10.344 -3.136 2.478 1.00 0.00 N ATOM 1682 CA ALA A 104 10.429 -3.028 3.965 1.00 0.00 C ATOM 1683 C ALA A 104 11.887 -2.847 4.403 1.00 0.00 C ATOM 1684 O ALA A 104 12.182 -2.748 5.577 1.00 0.00 O ATOM 1685 CB ALA A 104 9.863 -4.301 4.600 1.00 0.00 C ATOM 0 H ALA A 104 11.049 -3.731 2.043 1.00 0.00 H new ATOM 0 HA ALA A 104 9.851 -2.163 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.924 -4.224 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.821 -4.424 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.440 -5.163 4.264 1.00 0.00 H new ATOM 1691 N ASN A 105 12.805 -2.806 3.474 1.00 0.00 N ATOM 1692 CA ASN A 105 14.239 -2.635 3.851 1.00 0.00 C ATOM 1693 C ASN A 105 14.539 -1.150 4.075 1.00 0.00 C ATOM 1694 O ASN A 105 13.649 -0.324 4.106 1.00 0.00 O ATOM 1695 CB ASN A 105 15.128 -3.171 2.727 1.00 0.00 C ATOM 1696 CG ASN A 105 15.005 -4.696 2.665 1.00 0.00 C ATOM 1697 OD1 ASN A 105 15.962 -5.405 2.907 1.00 0.00 O ATOM 1698 ND2 ASN A 105 13.858 -5.233 2.349 1.00 0.00 N ATOM 0 H ASN A 105 12.625 -2.883 2.473 1.00 0.00 H new ATOM 0 HA ASN A 105 14.440 -3.186 4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.832 -2.732 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.165 -2.886 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 105 13.765 -6.248 2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 105 13.055 -4.638 2.146 1.00 0.00 H new ATOM 1705 N GLN A 106 15.790 -0.804 4.233 1.00 0.00 N ATOM 1706 CA GLN A 106 16.148 0.626 4.457 1.00 0.00 C ATOM 1707 C GLN A 106 17.449 0.952 3.719 1.00 0.00 C ATOM 1708 O GLN A 106 18.350 0.140 3.640 1.00 0.00 O ATOM 1709 CB GLN A 106 16.336 0.874 5.956 1.00 0.00 C ATOM 1710 CG GLN A 106 17.577 0.122 6.445 1.00 0.00 C ATOM 1711 CD GLN A 106 18.747 1.097 6.577 1.00 0.00 C ATOM 1712 OE1 GLN A 106 19.747 0.959 5.900 1.00 0.00 O ATOM 1713 NE2 GLN A 106 18.666 2.085 7.425 1.00 0.00 N ATOM 0 H GLN A 106 16.579 -1.451 4.216 1.00 0.00 H new ATOM 0 HA GLN A 106 15.349 1.263 4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.445 1.941 6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.455 0.540 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.374 -0.350 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.831 -0.675 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.827 2.202 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.441 2.741 7.519 1.00 0.00 H new ATOM 1722 N SER A 107 17.557 2.136 3.177 1.00 0.00 N ATOM 1723 CA SER A 107 18.801 2.512 2.446 1.00 0.00 C ATOM 1724 C SER A 107 19.003 4.026 2.532 1.00 0.00 C ATOM 1725 O SER A 107 18.268 4.720 3.207 1.00 0.00 O ATOM 1726 CB SER A 107 18.673 2.099 0.979 1.00 0.00 C ATOM 1727 OG SER A 107 19.921 1.601 0.517 1.00 0.00 O ATOM 0 H SER A 107 16.838 2.858 3.209 1.00 0.00 H new ATOM 0 HA SER A 107 19.655 2.004 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.902 1.336 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.364 2.952 0.375 1.00 0.00 H new ATOM 0 HG SER A 107 19.877 0.625 0.443 1.00 0.00 H new ATOM 1733 N THR A 108 19.991 4.546 1.857 1.00 0.00 N ATOM 1734 CA THR A 108 20.232 6.014 1.907 1.00 0.00 C ATOM 1735 C THR A 108 19.842 6.644 0.568 1.00 0.00 C ATOM 1736 O THR A 108 19.971 6.037 -0.478 1.00 0.00 O ATOM 1737 CB THR A 108 21.714 6.278 2.184 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.503 5.559 1.248 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.059 5.824 3.601 1.00 0.00 C ATOM 0 H THR A 108 20.640 4.018 1.274 1.00 0.00 H new ATOM 0 HA THR A 108 19.629 6.453 2.702 1.00 0.00 H new ATOM 0 HB THR A 108 21.918 7.344 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.452 5.728 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.115 6.013 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.453 6.377 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.856 4.758 3.701 1.00 0.00 H new ATOM 1747 N LEU A 109 19.375 7.861 0.591 1.00 0.00 N ATOM 1748 CA LEU A 109 18.982 8.541 -0.682 1.00 0.00 C ATOM 1749 C LEU A 109 20.184 8.557 -1.621 1.00 0.00 C ATOM 1750 O LEU A 109 20.061 8.289 -2.794 1.00 0.00 O ATOM 1751 CB LEU A 109 18.542 9.981 -0.388 1.00 0.00 C ATOM 1752 CG LEU A 109 17.773 10.565 -1.584 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.626 10.490 -2.850 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.482 9.780 -1.804 1.00 0.00 C ATOM 0 H LEU A 109 19.247 8.418 1.436 1.00 0.00 H new ATOM 0 HA LEU A 109 18.154 8.005 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.912 10.000 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.415 10.597 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 109 17.538 11.607 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.069 10.907 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.544 11.060 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.874 9.450 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.942 10.199 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.721 8.736 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.860 9.844 -0.911 1.00 0.00 H new ATOM 1766 N GLU A 110 21.348 8.867 -1.128 1.00 0.00 N ATOM 1767 CA GLU A 110 22.532 8.883 -2.024 1.00 0.00 C ATOM 1768 C GLU A 110 22.563 7.574 -2.810 1.00 0.00 C ATOM 1769 O GLU A 110 22.829 7.551 -3.994 1.00 0.00 O ATOM 1770 CB GLU A 110 23.809 9.014 -1.190 1.00 0.00 C ATOM 1771 CG GLU A 110 24.963 9.460 -2.091 1.00 0.00 C ATOM 1772 CD GLU A 110 26.252 9.536 -1.270 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.166 9.861 -0.097 1.00 0.00 O ATOM 1774 OE2 GLU A 110 27.303 9.268 -1.828 1.00 0.00 O ATOM 0 H GLU A 110 21.529 9.108 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 110 22.470 9.729 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.660 9.737 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 110 24.048 8.060 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 110 25.086 8.759 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.741 10.433 -2.530 1.00 0.00 H new ATOM 1781 N ASN A 111 22.287 6.477 -2.155 1.00 0.00 N ATOM 1782 CA ASN A 111 22.295 5.165 -2.859 1.00 0.00 C ATOM 1783 C ASN A 111 21.101 5.070 -3.807 1.00 0.00 C ATOM 1784 O ASN A 111 21.171 4.409 -4.809 1.00 0.00 O ATOM 1785 CB ASN A 111 22.239 4.023 -1.839 1.00 0.00 C ATOM 1786 CG ASN A 111 22.805 2.750 -2.470 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.017 2.692 -3.665 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.059 1.719 -1.712 1.00 0.00 N ATOM 0 H ASN A 111 22.056 6.435 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 111 23.215 5.083 -3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.811 4.287 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.210 3.857 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.435 0.865 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.881 1.767 -0.709 1.00 0.00 H new ATOM 1795 N PHE A 112 20.002 5.706 -3.511 1.00 0.00 N ATOM 1796 CA PHE A 112 18.843 5.622 -4.446 1.00 0.00 C ATOM 1797 C PHE A 112 19.188 6.376 -5.727 1.00 0.00 C ATOM 1798 O PHE A 112 18.845 5.960 -6.805 1.00 0.00 O ATOM 1799 CB PHE A 112 17.613 6.254 -3.792 1.00 0.00 C ATOM 1800 CG PHE A 112 16.431 6.159 -4.728 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.638 5.006 -4.747 1.00 0.00 C ATOM 1802 CD2 PHE A 112 16.126 7.231 -5.578 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.542 4.922 -5.613 1.00 0.00 C ATOM 1804 CE2 PHE A 112 15.030 7.146 -6.446 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.239 5.993 -6.464 1.00 0.00 C ATOM 0 H PHE A 112 19.855 6.273 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 112 18.628 4.579 -4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.387 5.747 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.814 7.298 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.872 4.180 -4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.736 8.122 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.930 4.032 -5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.796 7.971 -7.102 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.394 5.928 -7.134 1.00 0.00 H new ATOM 1815 N LEU A 113 19.867 7.479 -5.629 1.00 0.00 N ATOM 1816 CA LEU A 113 20.240 8.215 -6.862 1.00 0.00 C ATOM 1817 C LEU A 113 21.333 7.423 -7.592 1.00 0.00 C ATOM 1818 O LEU A 113 21.414 7.429 -8.803 1.00 0.00 O ATOM 1819 CB LEU A 113 20.746 9.611 -6.496 1.00 0.00 C ATOM 1820 CG LEU A 113 19.574 10.453 -5.980 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.054 11.878 -5.697 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.470 10.491 -7.038 1.00 0.00 C ATOM 0 H LEU A 113 20.178 7.901 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 113 19.373 8.324 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.522 9.541 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.196 10.088 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 113 19.186 10.011 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.220 12.477 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.842 11.854 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.442 12.320 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.636 11.090 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.860 10.934 -7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.127 9.477 -7.242 1.00 0.00 H new ATOM 1834 N GLU A 114 22.177 6.735 -6.858 1.00 0.00 N ATOM 1835 CA GLU A 114 23.260 5.933 -7.498 1.00 0.00 C ATOM 1836 C GLU A 114 22.646 4.714 -8.197 1.00 0.00 C ATOM 1837 O GLU A 114 22.963 4.390 -9.323 1.00 0.00 O ATOM 1838 CB GLU A 114 24.212 5.455 -6.400 1.00 0.00 C ATOM 1839 CG GLU A 114 25.568 5.083 -6.995 1.00 0.00 C ATOM 1840 CD GLU A 114 26.070 6.212 -7.896 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.006 7.354 -7.472 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.509 5.916 -8.995 1.00 0.00 O ATOM 0 H GLU A 114 22.159 6.697 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 114 23.795 6.537 -8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.338 6.239 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 114 23.784 4.593 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.286 4.897 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 114 25.482 4.160 -7.568 1.00 0.00 H new ATOM 1849 N ARG A 115 21.776 4.043 -7.503 1.00 0.00 N ATOM 1850 CA ARG A 115 21.103 2.827 -8.038 1.00 0.00 C ATOM 1851 C ARG A 115 20.118 3.218 -9.138 1.00 0.00 C ATOM 1852 O ARG A 115 20.116 2.670 -10.219 1.00 0.00 O ATOM 1853 CB ARG A 115 20.325 2.177 -6.891 1.00 0.00 C ATOM 1854 CG ARG A 115 20.579 0.669 -6.883 1.00 0.00 C ATOM 1855 CD ARG A 115 20.999 0.229 -5.479 1.00 0.00 C ATOM 1856 NE ARG A 115 22.486 0.205 -5.391 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.182 -0.452 -6.276 1.00 0.00 C ATOM 1858 NH1 ARG A 115 22.813 -1.651 -6.638 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.245 0.089 -6.804 1.00 0.00 N ATOM 0 H ARG A 115 21.493 4.294 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 115 21.845 2.142 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.631 2.612 -5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.259 2.375 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 115 19.678 0.136 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 115 21.358 0.417 -7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 115 20.591 0.913 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 115 20.595 -0.759 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 115 22.960 0.703 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 115 21.980 -2.074 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 115 23.358 -2.165 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 115 24.532 1.027 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.789 -0.426 -7.496 1.00 0.00 H new ATOM 1873 N LEU A 116 19.279 4.162 -8.850 1.00 0.00 N ATOM 1874 CA LEU A 116 18.268 4.618 -9.842 1.00 0.00 C ATOM 1875 C LEU A 116 18.980 5.118 -11.110 1.00 0.00 C ATOM 1876 O LEU A 116 18.601 4.773 -12.212 1.00 0.00 O ATOM 1877 CB LEU A 116 17.463 5.767 -9.231 1.00 0.00 C ATOM 1878 CG LEU A 116 16.294 6.116 -10.153 1.00 0.00 C ATOM 1879 CD1 LEU A 116 14.975 5.877 -9.416 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.390 7.587 -10.566 1.00 0.00 C ATOM 0 H LEU A 116 19.247 4.648 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 116 17.606 3.792 -10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.091 5.482 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.102 6.639 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 116 16.332 5.487 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.141 6.126 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.906 4.829 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.936 6.506 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.557 7.836 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.352 8.218 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.330 7.757 -11.092 1.00 0.00 H new ATOM 1892 N LYS A 117 20.004 5.942 -10.977 1.00 0.00 N ATOM 1893 CA LYS A 117 20.700 6.456 -12.193 1.00 0.00 C ATOM 1894 C LYS A 117 21.488 5.330 -12.874 1.00 0.00 C ATOM 1895 O LYS A 117 21.607 5.291 -14.082 1.00 0.00 O ATOM 1896 CB LYS A 117 21.664 7.574 -11.790 1.00 0.00 C ATOM 1897 CG LYS A 117 22.227 8.239 -13.046 1.00 0.00 C ATOM 1898 CD LYS A 117 23.755 8.258 -12.972 1.00 0.00 C ATOM 1899 CE LYS A 117 24.196 9.039 -11.733 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.393 8.383 -11.131 1.00 0.00 N ATOM 0 H LYS A 117 20.377 6.272 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 117 19.955 6.839 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.146 8.311 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.475 7.169 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 117 21.902 7.697 -13.934 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.844 9.256 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 117 24.140 7.239 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.168 8.717 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.430 10.069 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.385 9.077 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.693 8.914 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.154 7.408 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.167 8.369 -11.825 1.00 0.00 H new ATOM 1914 N THR A 118 22.035 4.423 -12.113 1.00 0.00 N ATOM 1915 CA THR A 118 22.823 3.314 -12.725 1.00 0.00 C ATOM 1916 C THR A 118 21.919 2.462 -13.620 1.00 0.00 C ATOM 1917 O THR A 118 22.244 2.177 -14.755 1.00 0.00 O ATOM 1918 CB THR A 118 23.413 2.436 -11.618 1.00 0.00 C ATOM 1919 OG1 THR A 118 22.531 2.427 -10.504 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.772 2.992 -11.193 1.00 0.00 C ATOM 0 H THR A 118 21.971 4.401 -11.095 1.00 0.00 H new ATOM 0 HA THR A 118 23.627 3.738 -13.327 1.00 0.00 H new ATOM 0 HB THR A 118 23.541 1.419 -11.988 1.00 0.00 H new ATOM 0 HG1 THR A 118 22.869 3.035 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 118 25.191 2.366 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 118 25.447 2.998 -12.049 1.00 0.00 H new ATOM 0 HG23 THR A 118 24.649 4.009 -10.821 1.00 0.00 H new ATOM 1928 N ILE A 119 20.792 2.043 -13.115 1.00 0.00 N ATOM 1929 CA ILE A 119 19.876 1.203 -13.929 1.00 0.00 C ATOM 1930 C ILE A 119 19.500 1.934 -15.217 1.00 0.00 C ATOM 1931 O ILE A 119 19.586 1.384 -16.292 1.00 0.00 O ATOM 1932 CB ILE A 119 18.629 0.895 -13.121 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.971 -0.154 -12.065 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.524 0.360 -14.038 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.716 0.422 -10.674 1.00 0.00 C ATOM 0 H ILE A 119 20.467 2.248 -12.170 1.00 0.00 H new ATOM 0 HA ILE A 119 20.376 0.271 -14.192 1.00 0.00 H new ATOM 0 HB ILE A 119 18.274 1.806 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.367 -1.048 -12.216 1.00 0.00 H new ATOM 0 HG13 ILE A 119 20.014 -0.455 -12.160 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.634 0.143 -13.447 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.284 1.108 -14.793 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.867 -0.552 -14.527 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.960 -0.326 -9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.340 1.304 -10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.666 0.701 -10.582 1.00 0.00 H new ATOM 1947 N MET A 120 19.075 3.163 -15.119 1.00 0.00 N ATOM 1948 CA MET A 120 18.685 3.917 -16.343 1.00 0.00 C ATOM 1949 C MET A 120 19.779 3.811 -17.401 1.00 0.00 C ATOM 1950 O MET A 120 19.502 3.588 -18.559 1.00 0.00 O ATOM 1951 CB MET A 120 18.462 5.388 -15.982 1.00 0.00 C ATOM 1952 CG MET A 120 17.033 5.564 -15.476 1.00 0.00 C ATOM 1953 SD MET A 120 17.022 6.487 -13.925 1.00 0.00 S ATOM 1954 CE MET A 120 15.248 6.309 -13.609 1.00 0.00 C ATOM 0 H MET A 120 18.981 3.678 -14.244 1.00 0.00 H new ATOM 0 HA MET A 120 17.765 3.492 -16.745 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.173 5.700 -15.217 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.633 6.020 -16.854 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.438 6.090 -16.223 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.570 4.588 -15.329 1.00 0.00 H new ATOM 0 HE1 MET A 120 14.780 7.293 -13.595 1.00 0.00 H new ATOM 0 HE2 MET A 120 14.797 5.704 -14.396 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.097 5.822 -12.645 1.00 0.00 H new ATOM 1964 N ARG A 121 21.013 3.958 -17.026 1.00 0.00 N ATOM 1965 CA ARG A 121 22.103 3.849 -18.035 1.00 0.00 C ATOM 1966 C ARG A 121 22.066 2.449 -18.642 1.00 0.00 C ATOM 1967 O ARG A 121 22.314 2.257 -19.817 1.00 0.00 O ATOM 1968 CB ARG A 121 23.448 4.058 -17.348 1.00 0.00 C ATOM 1969 CG ARG A 121 24.119 5.316 -17.902 1.00 0.00 C ATOM 1970 CD ARG A 121 25.335 4.920 -18.742 1.00 0.00 C ATOM 1971 NE ARG A 121 24.898 4.045 -19.868 1.00 0.00 N ATOM 1972 CZ ARG A 121 25.261 4.324 -21.090 1.00 0.00 C ATOM 1973 NH1 ARG A 121 24.809 5.399 -21.677 1.00 0.00 N ATOM 1974 NH2 ARG A 121 26.078 3.529 -21.725 1.00 0.00 N ATOM 0 H ARG A 121 21.317 4.148 -16.071 1.00 0.00 H new ATOM 0 HA ARG A 121 21.969 4.601 -18.812 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.307 4.154 -16.271 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.089 3.191 -17.510 1.00 0.00 H new ATOM 0 HG2 ARG A 121 23.412 5.880 -18.510 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.426 5.967 -17.084 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.828 5.811 -19.130 1.00 0.00 H new ATOM 0 HD3 ARG A 121 26.064 4.397 -18.123 1.00 0.00 H new ATOM 0 HE ARG A 121 24.315 3.228 -19.683 1.00 0.00 H new ATOM 0 HH11 ARG A 121 24.172 6.022 -21.180 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.093 5.616 -22.632 1.00 0.00 H new ATOM 0 HH21 ARG A 121 26.433 2.690 -21.266 1.00 0.00 H new ATOM 0 HH22 ARG A 121 26.362 3.747 -22.680 1.00 0.00 H new ATOM 1988 N GLU A 122 21.763 1.471 -17.839 1.00 0.00 N ATOM 1989 CA GLU A 122 21.712 0.070 -18.349 1.00 0.00 C ATOM 1990 C GLU A 122 20.547 -0.086 -19.336 1.00 0.00 C ATOM 1991 O GLU A 122 20.670 -0.766 -20.335 1.00 0.00 O ATOM 1992 CB GLU A 122 21.523 -0.913 -17.175 1.00 0.00 C ATOM 1993 CG GLU A 122 22.738 -0.891 -16.230 1.00 0.00 C ATOM 1994 CD GLU A 122 22.302 -1.365 -14.842 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.470 -2.254 -14.775 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.809 -0.830 -13.870 1.00 0.00 O ATOM 0 H GLU A 122 21.547 1.579 -16.848 1.00 0.00 H new ATOM 0 HA GLU A 122 22.650 -0.152 -18.858 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.622 -0.652 -16.620 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.378 -1.922 -17.562 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.527 -1.536 -16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.150 0.116 -16.171 1.00 0.00 H new ATOM 2003 N LYS A 123 19.417 0.532 -19.086 1.00 0.00 N ATOM 2004 CA LYS A 123 18.283 0.391 -20.042 1.00 0.00 C ATOM 2005 C LYS A 123 18.620 1.148 -21.326 1.00 0.00 C ATOM 2006 O LYS A 123 18.274 0.740 -22.417 1.00 0.00 O ATOM 2007 CB LYS A 123 17.014 0.974 -19.419 1.00 0.00 C ATOM 2008 CG LYS A 123 16.059 -0.162 -19.050 1.00 0.00 C ATOM 2009 CD LYS A 123 14.843 -0.133 -19.980 1.00 0.00 C ATOM 2010 CE LYS A 123 14.822 -1.401 -20.835 1.00 0.00 C ATOM 2011 NZ LYS A 123 14.501 -2.575 -19.974 1.00 0.00 N ATOM 0 H LYS A 123 19.236 1.119 -18.272 1.00 0.00 H new ATOM 0 HA LYS A 123 18.118 -0.662 -20.269 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.265 1.555 -18.532 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.532 1.656 -20.120 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.570 -1.121 -19.133 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.739 -0.059 -18.013 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.926 -0.061 -19.395 1.00 0.00 H new ATOM 0 HD3 LYS A 123 14.882 0.749 -20.620 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.081 -1.305 -21.629 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.789 -1.544 -21.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.156 -3.357 -20.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.357 -2.877 -19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.766 -2.311 -19.287 1.00 0.00 H new ATOM 2025 N TYR A 124 19.282 2.259 -21.190 1.00 0.00 N ATOM 2026 CA TYR A 124 19.649 3.080 -22.355 1.00 0.00 C ATOM 2027 C TYR A 124 20.728 2.364 -23.170 1.00 0.00 C ATOM 2028 O TYR A 124 20.820 2.524 -24.370 1.00 0.00 O ATOM 2029 CB TYR A 124 20.177 4.421 -21.842 1.00 0.00 C ATOM 2030 CG TYR A 124 19.052 5.232 -21.221 1.00 0.00 C ATOM 2031 CD1 TYR A 124 17.841 4.622 -20.851 1.00 0.00 C ATOM 2032 CD2 TYR A 124 19.228 6.606 -21.012 1.00 0.00 C ATOM 2033 CE1 TYR A 124 16.819 5.385 -20.274 1.00 0.00 C ATOM 2034 CE2 TYR A 124 18.204 7.365 -20.435 1.00 0.00 C ATOM 2035 CZ TYR A 124 17.000 6.755 -20.066 1.00 0.00 C ATOM 2036 OH TYR A 124 15.992 7.506 -19.498 1.00 0.00 O ATOM 0 H TYR A 124 19.589 2.636 -20.293 1.00 0.00 H new ATOM 0 HA TYR A 124 18.783 3.241 -22.997 1.00 0.00 H new ATOM 0 HB2 TYR A 124 20.962 4.252 -21.104 1.00 0.00 H new ATOM 0 HB3 TYR A 124 20.626 4.980 -22.663 1.00 0.00 H new ATOM 0 HD1 TYR A 124 17.699 3.564 -21.012 1.00 0.00 H new ATOM 0 HD2 TYR A 124 20.156 7.080 -21.297 1.00 0.00 H new ATOM 0 HE1 TYR A 124 15.890 4.914 -19.989 1.00 0.00 H new ATOM 0 HE2 TYR A 124 18.343 8.424 -20.274 1.00 0.00 H new ATOM 0 HH TYR A 124 15.978 8.397 -19.906 1.00 0.00 H new ATOM 2046 N SER A 125 21.547 1.575 -22.528 1.00 0.00 N ATOM 2047 CA SER A 125 22.619 0.852 -23.268 1.00 0.00 C ATOM 2048 C SER A 125 22.002 0.066 -24.426 1.00 0.00 C ATOM 2049 O SER A 125 22.678 -0.311 -25.363 1.00 0.00 O ATOM 2050 CB SER A 125 23.330 -0.115 -22.318 1.00 0.00 C ATOM 2051 OG SER A 125 24.719 -0.132 -22.614 1.00 0.00 O ATOM 0 H SER A 125 21.519 1.400 -21.523 1.00 0.00 H new ATOM 0 HA SER A 125 23.337 1.572 -23.661 1.00 0.00 H new ATOM 0 HB2 SER A 125 23.171 0.191 -21.284 1.00 0.00 H new ATOM 0 HB3 SER A 125 22.913 -1.117 -22.422 1.00 0.00 H new ATOM 0 HG SER A 125 25.176 -0.749 -22.005 1.00 0.00 H new ATOM 2057 N LYS A 126 20.723 -0.187 -24.370 1.00 0.00 N ATOM 2058 CA LYS A 126 20.066 -0.948 -25.469 1.00 0.00 C ATOM 2059 C LYS A 126 19.481 0.028 -26.492 1.00 0.00 C ATOM 2060 O LYS A 126 18.486 -0.249 -27.131 1.00 0.00 O ATOM 2061 CB LYS A 126 18.944 -1.811 -24.890 1.00 0.00 C ATOM 2062 CG LYS A 126 19.544 -3.066 -24.249 1.00 0.00 C ATOM 2063 CD LYS A 126 19.078 -3.170 -22.796 1.00 0.00 C ATOM 2064 CE LYS A 126 17.770 -3.962 -22.735 1.00 0.00 C ATOM 2065 NZ LYS A 126 17.405 -4.208 -21.311 1.00 0.00 N ATOM 0 H LYS A 126 20.105 0.100 -23.611 1.00 0.00 H new ATOM 0 HA LYS A 126 20.802 -1.586 -25.958 1.00 0.00 H new ATOM 0 HB2 LYS A 126 18.381 -1.245 -24.148 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.243 -2.091 -25.677 1.00 0.00 H new ATOM 0 HG2 LYS A 126 19.238 -3.953 -24.804 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.632 -3.024 -24.291 1.00 0.00 H new ATOM 0 HD2 LYS A 126 19.841 -3.661 -22.192 1.00 0.00 H new ATOM 0 HD3 LYS A 126 18.932 -2.174 -22.377 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.974 -3.410 -23.236 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.881 -4.910 -23.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 16.516 -4.746 -21.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.161 -4.751 -20.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.283 -3.298 -20.822 1.00 0.00 H new