USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 899 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 54 GLN : amide:sc= -3.59! K(o=-3.2!,f=-0.56) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.397 K(o=-3.2,f=-0.81) USER MOD Set 2.1: A 21 MET CE :methyl 134:sc= -5.07! (180deg=-9.75!) USER MOD Set 2.2: A 33 SER OG : rot -23:sc= -1.02 USER MOD Set 3.1: A 22 LYS NZ :NH3+ 172:sc= 0.048 (180deg=-0.319) USER MOD Set 3.2: A 24 SER OG : rot -100:sc= 0.214 USER MOD Set 3.3: A 26 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.016) USER MOD Set 3.4: A 30 CYS SG : rot -51:sc= -0.234 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0263 (180deg=-0.207) USER MOD Single : A 2 SER OG : rot 180:sc= 0.18 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -2.84! (180deg=-5.32!) USER MOD Single : A 9 GLN : amide:sc= -5.17! K(o=-5.2!,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.23) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 29 SER OG : rot -130:sc= -0.0383 USER MOD Single : A 35 GLN : amide:sc= -2.65 K(o=-2.6,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -4.09! K(o=-4.1!,f=-1.2) USER MOD Single : A 43 CYS SG : rot -20:sc= -2.26 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 2.35 (180deg=2.12) USER MOD Single : A 65 TYR OH : rot -66:sc= -1.21! USER MOD Single : A 67 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.6) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.96! K(o=-2!,f=-0.76) USER MOD Single : A 84 CYS SG : rot 93:sc= 0.364 USER MOD Single : A 90 MET CE :methyl -155:sc= 0 (180deg=-0.0326) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= -1.64! C(o=-1.6!,f=-5.6!) USER MOD Single : A 98 GLN : amide:sc= -2.15 K(o=-2.2,f=-0.3) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= 0.0305 (180deg=-0.214) USER MOD Single : A 103 THR OG1 : rot 86:sc= 0.611 USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= -3! (180deg=-5.61!) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.036 USER MOD Single : A 108 LYS NZ :NH3+ 160:sc= 1.08 (180deg=-0.263!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.442 13.398 -3.653 1.00 0.00 N ATOM 2 CA MET A 1 18.629 12.523 -3.766 1.00 0.00 C ATOM 3 C MET A 1 18.363 11.167 -3.129 1.00 0.00 C ATOM 4 O MET A 1 17.722 11.084 -2.080 1.00 0.00 O ATOM 5 CB MET A 1 19.825 13.208 -3.095 1.00 0.00 C ATOM 6 CG MET A 1 19.608 13.540 -1.626 1.00 0.00 C ATOM 7 SD MET A 1 21.041 14.333 -0.873 1.00 0.00 S ATOM 8 CE MET A 1 20.424 14.624 0.783 1.00 0.00 C ATOM 0 H1 MET A 1 17.746 14.371 -3.449 1.00 0.00 H new ATOM 0 H2 MET A 1 16.912 13.381 -4.547 1.00 0.00 H new ATOM 0 H3 MET A 1 16.832 13.058 -2.882 1.00 0.00 H new ATOM 0 HA MET A 1 18.852 12.357 -4.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.698 12.561 -3.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.053 14.127 -3.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.743 14.196 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.376 12.625 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.196 15.112 1.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.543 15.264 0.736 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.157 13.673 1.244 1.00 0.00 H new ATOM 20 N SER A 2 18.858 10.111 -3.771 1.00 0.00 N ATOM 21 CA SER A 2 18.686 8.751 -3.276 1.00 0.00 C ATOM 22 C SER A 2 17.194 8.408 -3.177 1.00 0.00 C ATOM 23 O SER A 2 16.439 8.595 -4.133 1.00 0.00 O ATOM 24 CB SER A 2 19.399 8.596 -1.918 1.00 0.00 C ATOM 25 OG SER A 2 19.318 7.269 -1.420 1.00 0.00 O ATOM 0 H SER A 2 19.385 10.175 -4.642 1.00 0.00 H new ATOM 0 HA SER A 2 19.139 8.048 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.446 8.879 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.955 9.281 -1.196 1.00 0.00 H new ATOM 0 HG SER A 2 19.783 7.214 -0.559 1.00 0.00 H new ATOM 31 N THR A 3 16.776 7.902 -2.032 1.00 0.00 N ATOM 32 CA THR A 3 15.394 7.525 -1.812 1.00 0.00 C ATOM 33 C THR A 3 15.052 7.748 -0.339 1.00 0.00 C ATOM 34 O THR A 3 14.637 6.840 0.378 1.00 0.00 O ATOM 35 CB THR A 3 15.144 6.052 -2.217 1.00 0.00 C ATOM 36 OG1 THR A 3 15.626 5.826 -3.553 1.00 0.00 O ATOM 37 CG2 THR A 3 13.660 5.714 -2.169 1.00 0.00 C ATOM 0 H THR A 3 17.385 7.741 -1.230 1.00 0.00 H new ATOM 0 HA THR A 3 14.749 8.144 -2.436 1.00 0.00 H new ATOM 0 HB THR A 3 15.676 5.415 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 3 15.467 4.892 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.514 4.673 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 13.285 5.865 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.117 6.361 -2.858 1.00 0.00 H new ATOM 45 N THR A 4 15.314 8.968 0.113 1.00 0.00 N ATOM 46 CA THR A 4 15.113 9.350 1.501 1.00 0.00 C ATOM 47 C THR A 4 13.631 9.341 1.873 1.00 0.00 C ATOM 48 O THR A 4 12.769 9.626 1.038 1.00 0.00 O ATOM 49 CB THR A 4 15.703 10.749 1.783 1.00 0.00 C ATOM 50 OG1 THR A 4 15.096 11.726 0.927 1.00 0.00 O ATOM 51 CG2 THR A 4 17.208 10.758 1.572 1.00 0.00 C ATOM 0 H THR A 4 15.672 9.720 -0.475 1.00 0.00 H new ATOM 0 HA THR A 4 15.633 8.613 2.113 1.00 0.00 H new ATOM 0 HB THR A 4 15.494 10.997 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.477 12.609 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.598 11.755 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.674 10.040 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.432 10.486 0.541 1.00 0.00 H new ATOM 59 N ILE A 5 13.347 9.048 3.140 1.00 0.00 N ATOM 60 CA ILE A 5 11.980 9.042 3.660 1.00 0.00 C ATOM 61 C ILE A 5 11.249 10.347 3.351 1.00 0.00 C ATOM 62 O ILE A 5 10.059 10.335 3.047 1.00 0.00 O ATOM 63 CB ILE A 5 11.962 8.770 5.182 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.256 7.302 5.464 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.621 9.148 5.783 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.539 7.010 6.920 1.00 0.00 C ATOM 0 H ILE A 5 14.055 8.809 3.834 1.00 0.00 H new ATOM 0 HA ILE A 5 11.453 8.233 3.154 1.00 0.00 H new ATOM 0 HB ILE A 5 12.736 9.384 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.406 6.701 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.113 6.990 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.633 8.948 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.433 10.208 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.833 8.560 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.739 5.946 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.407 7.583 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.674 7.290 7.522 1.00 0.00 H new ATOM 78 N GLU A 6 11.972 11.457 3.382 1.00 0.00 N ATOM 79 CA GLU A 6 11.396 12.755 3.052 1.00 0.00 C ATOM 80 C GLU A 6 10.781 12.726 1.650 1.00 0.00 C ATOM 81 O GLU A 6 9.611 13.065 1.467 1.00 0.00 O ATOM 82 CB GLU A 6 12.473 13.831 3.148 1.00 0.00 C ATOM 83 CG GLU A 6 13.074 13.940 4.540 1.00 0.00 C ATOM 84 CD GLU A 6 14.157 14.996 4.637 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.540 15.564 3.595 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.645 15.247 5.759 1.00 0.00 O ATOM 0 H GLU A 6 12.960 11.486 3.633 1.00 0.00 H new ATOM 0 HA GLU A 6 10.602 12.986 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.265 13.611 2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.045 14.793 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.283 14.172 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.490 12.974 4.827 1.00 0.00 H new ATOM 93 N LYS A 7 11.524 12.170 0.702 1.00 0.00 N ATOM 94 CA LYS A 7 11.001 11.926 -0.636 1.00 0.00 C ATOM 95 C LYS A 7 9.877 10.895 -0.597 1.00 0.00 C ATOM 96 O LYS A 7 8.869 11.031 -1.290 1.00 0.00 O ATOM 97 CB LYS A 7 12.118 11.433 -1.562 1.00 0.00 C ATOM 98 CG LYS A 7 13.193 12.467 -1.845 1.00 0.00 C ATOM 99 CD LYS A 7 12.681 13.645 -2.675 1.00 0.00 C ATOM 100 CE LYS A 7 12.336 13.256 -4.117 1.00 0.00 C ATOM 101 NZ LYS A 7 11.169 12.338 -4.215 1.00 0.00 N ATOM 0 H LYS A 7 12.492 11.879 0.835 1.00 0.00 H new ATOM 0 HA LYS A 7 10.604 12.865 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.583 10.554 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.678 11.115 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.589 12.840 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.020 11.990 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.796 14.063 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.437 14.430 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.128 14.160 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.203 12.781 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.616 12.569 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.504 11.355 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.569 12.447 -3.372 1.00 0.00 H new ATOM 115 N ILE A 8 10.100 9.830 0.164 1.00 0.00 N ATOM 116 CA ILE A 8 9.167 8.719 0.240 1.00 0.00 C ATOM 117 C ILE A 8 7.790 9.142 0.754 1.00 0.00 C ATOM 118 O ILE A 8 6.776 8.758 0.180 1.00 0.00 O ATOM 119 CB ILE A 8 9.736 7.592 1.124 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.991 7.011 0.462 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.682 6.526 1.363 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.720 5.995 1.309 1.00 0.00 C ATOM 0 H ILE A 8 10.932 9.715 0.743 1.00 0.00 H new ATOM 0 HA ILE A 8 9.035 8.351 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 8 10.017 7.994 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.708 6.545 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.674 7.827 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.098 5.737 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.822 6.971 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.368 6.104 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.595 5.633 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.036 6.460 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.056 5.159 1.526 1.00 0.00 H new ATOM 134 N GLN A 9 7.747 9.911 1.832 1.00 0.00 N ATOM 135 CA GLN A 9 6.471 10.341 2.396 1.00 0.00 C ATOM 136 C GLN A 9 5.685 11.201 1.422 1.00 0.00 C ATOM 137 O GLN A 9 4.509 10.947 1.183 1.00 0.00 O ATOM 138 CB GLN A 9 6.661 11.067 3.727 1.00 0.00 C ATOM 139 CG GLN A 9 7.028 10.146 4.876 1.00 0.00 C ATOM 140 CD GLN A 9 7.159 10.886 6.193 1.00 0.00 C ATOM 141 OE1 GLN A 9 6.238 11.577 6.626 1.00 0.00 O ATOM 142 NE2 GLN A 9 8.293 10.724 6.851 1.00 0.00 N ATOM 0 H GLN A 9 8.570 10.248 2.331 1.00 0.00 H new ATOM 0 HA GLN A 9 5.890 9.438 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.441 11.819 3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.742 11.597 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.268 9.370 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.969 9.644 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.033 10.142 6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.429 11.181 7.753 1.00 0.00 H new ATOM 151 N ARG A 10 6.367 12.126 0.768 1.00 0.00 N ATOM 152 CA ARG A 10 5.753 12.916 -0.294 1.00 0.00 C ATOM 153 C ARG A 10 5.240 12.007 -1.413 1.00 0.00 C ATOM 154 O ARG A 10 4.225 12.293 -2.048 1.00 0.00 O ATOM 155 CB ARG A 10 6.750 13.941 -0.854 1.00 0.00 C ATOM 156 CG ARG A 10 6.893 15.251 -0.063 1.00 0.00 C ATOM 157 CD ARG A 10 7.199 15.066 1.416 1.00 0.00 C ATOM 158 NE ARG A 10 6.033 14.617 2.166 1.00 0.00 N ATOM 159 CZ ARG A 10 4.930 15.348 2.355 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.901 16.625 1.992 1.00 0.00 N ATOM 161 NH2 ARG A 10 3.874 14.811 2.945 1.00 0.00 N ATOM 0 H ARG A 10 7.345 12.351 0.951 1.00 0.00 H new ATOM 0 HA ARG A 10 4.906 13.455 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.730 13.468 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.452 14.187 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.687 15.847 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.970 15.822 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.005 14.341 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.556 16.008 1.832 1.00 0.00 H new ATOM 0 HE ARG A 10 6.060 13.683 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.723 17.053 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.056 17.178 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.902 13.840 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.032 15.368 3.089 1.00 0.00 H new ATOM 175 N GLN A 11 5.958 10.913 -1.644 1.00 0.00 N ATOM 176 CA GLN A 11 5.602 9.949 -2.683 1.00 0.00 C ATOM 177 C GLN A 11 4.369 9.142 -2.284 1.00 0.00 C ATOM 178 O GLN A 11 3.460 8.936 -3.082 1.00 0.00 O ATOM 179 CB GLN A 11 6.790 9.023 -2.953 1.00 0.00 C ATOM 180 CG GLN A 11 6.558 8.024 -4.073 1.00 0.00 C ATOM 181 CD GLN A 11 7.765 7.138 -4.305 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.859 7.619 -4.602 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.575 5.835 -4.165 1.00 0.00 N ATOM 0 H GLN A 11 6.799 10.669 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 11 5.359 10.493 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.661 9.630 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.027 8.479 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.695 7.404 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.320 8.559 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.652 5.478 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.352 5.189 -4.304 1.00 0.00 H new ATOM 192 N ILE A 12 4.343 8.685 -1.045 1.00 0.00 N ATOM 193 CA ILE A 12 3.218 7.907 -0.548 1.00 0.00 C ATOM 194 C ILE A 12 1.976 8.777 -0.463 1.00 0.00 C ATOM 195 O ILE A 12 0.879 8.357 -0.825 1.00 0.00 O ATOM 196 CB ILE A 12 3.520 7.295 0.840 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.794 6.451 0.787 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.354 6.450 1.328 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.107 5.742 2.083 1.00 0.00 C ATOM 0 H ILE A 12 5.086 8.838 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 12 3.045 7.091 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 12 3.668 8.114 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.696 5.711 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.634 7.093 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.592 6.031 2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.462 7.072 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.171 5.640 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.024 5.164 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.238 6.477 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.286 5.073 2.339 1.00 0.00 H new ATOM 211 N ALA A 13 2.170 9.985 0.035 1.00 0.00 N ATOM 212 CA ALA A 13 1.087 10.943 0.207 1.00 0.00 C ATOM 213 C ALA A 13 0.398 11.278 -1.113 1.00 0.00 C ATOM 214 O ALA A 13 -0.814 11.488 -1.144 1.00 0.00 O ATOM 215 CB ALA A 13 1.613 12.215 0.855 1.00 0.00 C ATOM 0 H ALA A 13 3.082 10.332 0.332 1.00 0.00 H new ATOM 0 HA ALA A 13 0.344 10.480 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.795 12.925 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.039 11.977 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.382 12.655 0.221 1.00 0.00 H new ATOM 221 N GLU A 14 1.177 11.429 -2.184 1.00 0.00 N ATOM 222 CA GLU A 14 0.611 11.851 -3.461 1.00 0.00 C ATOM 223 C GLU A 14 -0.318 10.787 -4.044 1.00 0.00 C ATOM 224 O GLU A 14 -1.326 11.117 -4.675 1.00 0.00 O ATOM 225 CB GLU A 14 1.688 12.262 -4.473 1.00 0.00 C ATOM 226 CG GLU A 14 2.684 11.180 -4.827 1.00 0.00 C ATOM 227 CD GLU A 14 3.714 11.656 -5.837 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.313 12.059 -6.953 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.921 11.651 -5.517 1.00 0.00 O ATOM 0 H GLU A 14 2.184 11.268 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 14 0.014 12.740 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.197 12.595 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.232 13.118 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.192 10.846 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.153 10.318 -5.231 1.00 0.00 H new ATOM 236 N ASN A 15 -0.017 9.517 -3.796 1.00 0.00 N ATOM 237 CA ASN A 15 -0.889 8.442 -4.264 1.00 0.00 C ATOM 238 C ASN A 15 -2.107 8.299 -3.359 1.00 0.00 C ATOM 239 O ASN A 15 -1.973 8.170 -2.144 1.00 0.00 O ATOM 240 CB ASN A 15 -0.131 7.112 -4.337 1.00 0.00 C ATOM 241 CG ASN A 15 0.964 7.126 -5.383 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.704 7.312 -6.573 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.199 6.932 -4.950 1.00 0.00 N ATOM 0 H ASN A 15 0.809 9.208 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.227 8.703 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.305 6.892 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.833 6.309 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.977 6.933 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.373 6.781 -3.956 1.00 0.00 H new ATOM 250 N PRO A 16 -3.318 8.323 -3.944 1.00 0.00 N ATOM 251 CA PRO A 16 -4.575 8.202 -3.189 1.00 0.00 C ATOM 252 C PRO A 16 -4.640 6.914 -2.402 1.00 0.00 C ATOM 253 O PRO A 16 -5.070 6.881 -1.253 1.00 0.00 O ATOM 254 CB PRO A 16 -5.637 8.154 -4.292 1.00 0.00 C ATOM 255 CG PRO A 16 -5.013 8.874 -5.432 1.00 0.00 C ATOM 256 CD PRO A 16 -3.563 8.487 -5.386 1.00 0.00 C ATOM 0 HA PRO A 16 -4.694 9.012 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.888 7.127 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.562 8.636 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.469 8.585 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.137 9.952 -5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.372 7.566 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.925 9.256 -5.820 1.00 0.00 H new ATOM 264 N ILE A 17 -4.212 5.853 -3.053 1.00 0.00 N ATOM 265 CA ILE A 17 -4.221 4.531 -2.473 1.00 0.00 C ATOM 266 C ILE A 17 -2.916 3.868 -2.859 1.00 0.00 C ATOM 267 O ILE A 17 -2.539 3.896 -4.032 1.00 0.00 O ATOM 268 CB ILE A 17 -5.390 3.695 -3.039 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.722 4.462 -2.971 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.511 2.373 -2.296 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.219 4.754 -1.567 1.00 0.00 C ATOM 0 H ILE A 17 -3.846 5.886 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.339 4.598 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.170 3.496 -4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.609 5.406 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.483 3.887 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.340 1.798 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.586 1.807 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.694 2.565 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.163 5.297 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.370 3.816 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.482 5.359 -1.039 1.00 0.00 H new ATOM 283 N LEU A 18 -2.151 3.429 -1.881 1.00 0.00 N ATOM 284 CA LEU A 18 -0.816 2.954 -2.165 1.00 0.00 C ATOM 285 C LEU A 18 -0.546 1.640 -1.454 1.00 0.00 C ATOM 286 O LEU A 18 -1.064 1.385 -0.374 1.00 0.00 O ATOM 287 CB LEU A 18 0.213 4.006 -1.772 1.00 0.00 C ATOM 288 CG LEU A 18 1.620 3.766 -2.309 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.611 3.735 -3.829 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.550 4.858 -1.811 1.00 0.00 C ATOM 0 H LEU A 18 -2.425 3.392 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.734 2.775 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.132 4.979 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.260 4.058 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 18 1.976 2.801 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.623 3.563 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.959 2.932 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.244 4.688 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.555 4.684 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.191 5.827 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.572 4.848 -0.721 1.00 0.00 H new ATOM 302 N LEU A 19 0.147 0.761 -2.136 1.00 0.00 N ATOM 303 CA LEU A 19 0.364 -0.588 -1.661 1.00 0.00 C ATOM 304 C LEU A 19 1.790 -1.031 -1.933 1.00 0.00 C ATOM 305 O LEU A 19 2.203 -1.124 -3.068 1.00 0.00 O ATOM 306 CB LEU A 19 -0.641 -1.484 -2.372 1.00 0.00 C ATOM 307 CG LEU A 19 -0.360 -2.977 -2.351 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.229 -3.507 -0.929 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.478 -3.693 -3.077 1.00 0.00 C ATOM 0 H LEU A 19 0.578 0.959 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 19 0.221 -0.646 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.621 -1.316 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.705 -1.165 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 19 0.591 -3.160 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.028 -4.578 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.592 -2.997 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.157 -3.326 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.288 -4.766 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.425 -3.488 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.527 -3.341 -4.107 1.00 0.00 H new ATOM 321 N TYR A 20 2.533 -1.340 -0.892 1.00 0.00 N ATOM 322 CA TYR A 20 3.897 -1.799 -1.068 1.00 0.00 C ATOM 323 C TYR A 20 3.981 -3.315 -1.016 1.00 0.00 C ATOM 324 O TYR A 20 3.513 -3.943 -0.066 1.00 0.00 O ATOM 325 CB TYR A 20 4.818 -1.178 -0.025 1.00 0.00 C ATOM 326 CG TYR A 20 5.154 0.275 -0.289 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.168 1.240 -0.444 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.478 0.675 -0.393 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.498 2.556 -0.694 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.813 1.988 -0.648 1.00 0.00 C ATOM 331 CZ TYR A 20 5.820 2.925 -0.797 1.00 0.00 C ATOM 332 OH TYR A 20 6.149 4.234 -1.058 1.00 0.00 O ATOM 0 H TYR A 20 2.221 -1.283 0.077 1.00 0.00 H new ATOM 0 HA TYR A 20 4.227 -1.477 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.348 -1.260 0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.743 -1.753 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.129 0.957 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.263 -0.057 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.720 3.296 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.850 2.278 -0.730 1.00 0.00 H new ATOM 0 HH TYR A 20 7.124 4.325 -1.098 1.00 0.00 H new ATOM 342 N MET A 21 4.549 -3.891 -2.070 1.00 0.00 N ATOM 343 CA MET A 21 4.663 -5.335 -2.197 1.00 0.00 C ATOM 344 C MET A 21 5.962 -5.756 -2.900 1.00 0.00 C ATOM 345 O MET A 21 6.827 -4.931 -3.177 1.00 0.00 O ATOM 346 CB MET A 21 3.471 -5.844 -2.995 1.00 0.00 C ATOM 347 CG MET A 21 3.265 -5.072 -4.290 1.00 0.00 C ATOM 348 SD MET A 21 1.985 -5.761 -5.353 1.00 0.00 S ATOM 349 CE MET A 21 0.573 -5.787 -4.275 1.00 0.00 C ATOM 0 H MET A 21 4.941 -3.371 -2.855 1.00 0.00 H new ATOM 0 HA MET A 21 4.681 -5.765 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.615 -6.900 -3.224 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.571 -5.770 -2.385 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.008 -4.040 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.206 -5.046 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.294 -5.389 -4.802 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.370 -6.812 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.776 -5.176 -3.395 1.00 0.00 H new ATOM 359 N LYS A 22 6.053 -7.030 -3.282 1.00 0.00 N ATOM 360 CA LYS A 22 7.202 -7.500 -4.049 1.00 0.00 C ATOM 361 C LYS A 22 6.847 -7.524 -5.514 1.00 0.00 C ATOM 362 O LYS A 22 6.017 -8.305 -5.937 1.00 0.00 O ATOM 363 CB LYS A 22 7.633 -8.905 -3.615 1.00 0.00 C ATOM 364 CG LYS A 22 8.867 -9.417 -4.353 1.00 0.00 C ATOM 365 CD LYS A 22 9.294 -10.784 -3.843 1.00 0.00 C ATOM 366 CE LYS A 22 10.555 -11.291 -4.530 1.00 0.00 C ATOM 367 NZ LYS A 22 10.383 -11.448 -6.003 1.00 0.00 N ATOM 0 H LYS A 22 5.355 -7.744 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 22 8.032 -6.817 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.836 -8.900 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.807 -9.597 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.655 -9.476 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.686 -8.709 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.465 -10.731 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.485 -11.497 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.374 -10.598 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.839 -12.250 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.302 -11.664 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.719 -12.225 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.008 -10.565 -6.405 1.00 0.00 H new ATOM 381 N GLY A 23 7.459 -6.658 -6.276 1.00 0.00 N ATOM 382 CA GLY A 23 7.139 -6.593 -7.680 1.00 0.00 C ATOM 383 C GLY A 23 8.100 -7.380 -8.530 1.00 0.00 C ATOM 384 O GLY A 23 9.315 -7.225 -8.418 1.00 0.00 O ATOM 0 H GLY A 23 8.169 -5.998 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.128 -6.970 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.144 -5.552 -8.002 1.00 0.00 H new ATOM 388 N SER A 24 7.555 -8.245 -9.361 1.00 0.00 N ATOM 389 CA SER A 24 8.346 -9.081 -10.230 1.00 0.00 C ATOM 390 C SER A 24 7.625 -9.223 -11.568 1.00 0.00 C ATOM 391 O SER A 24 6.403 -9.256 -11.603 1.00 0.00 O ATOM 392 CB SER A 24 8.547 -10.444 -9.568 1.00 0.00 C ATOM 393 OG SER A 24 9.215 -10.302 -8.323 1.00 0.00 O ATOM 0 H SER A 24 6.549 -8.386 -9.450 1.00 0.00 H new ATOM 0 HA SER A 24 9.325 -8.635 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.581 -10.926 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.126 -11.092 -10.226 1.00 0.00 H new ATOM 0 HG SER A 24 10.165 -10.516 -8.435 1.00 0.00 H new ATOM 399 N PRO A 25 8.354 -9.226 -12.692 1.00 0.00 N ATOM 400 CA PRO A 25 7.742 -9.287 -14.024 1.00 0.00 C ATOM 401 C PRO A 25 6.772 -10.462 -14.155 1.00 0.00 C ATOM 402 O PRO A 25 5.674 -10.320 -14.694 1.00 0.00 O ATOM 403 CB PRO A 25 8.936 -9.454 -14.978 1.00 0.00 C ATOM 404 CG PRO A 25 10.128 -9.696 -14.106 1.00 0.00 C ATOM 405 CD PRO A 25 9.811 -9.091 -12.770 1.00 0.00 C ATOM 0 HA PRO A 25 7.147 -8.399 -14.238 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.776 -10.288 -15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.074 -8.563 -15.590 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.328 -10.763 -14.010 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.021 -9.241 -14.535 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.311 -9.619 -11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.125 -8.049 -12.713 1.00 0.00 H new ATOM 413 N LYS A 26 7.166 -11.604 -13.605 1.00 0.00 N ATOM 414 CA LYS A 26 6.320 -12.794 -13.600 1.00 0.00 C ATOM 415 C LYS A 26 5.139 -12.661 -12.628 1.00 0.00 C ATOM 416 O LYS A 26 4.092 -13.274 -12.835 1.00 0.00 O ATOM 417 CB LYS A 26 7.154 -14.047 -13.306 1.00 0.00 C ATOM 418 CG LYS A 26 7.972 -13.985 -12.024 1.00 0.00 C ATOM 419 CD LYS A 26 8.830 -15.233 -11.870 1.00 0.00 C ATOM 420 CE LYS A 26 9.732 -15.173 -10.647 1.00 0.00 C ATOM 421 NZ LYS A 26 8.967 -15.136 -9.375 1.00 0.00 N ATOM 0 H LYS A 26 8.072 -11.733 -13.154 1.00 0.00 H new ATOM 0 HA LYS A 26 5.890 -12.897 -14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.486 -14.906 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.830 -14.221 -14.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.608 -13.100 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.306 -13.888 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.184 -16.108 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.442 -15.362 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.393 -16.040 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.367 -14.289 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.628 -15.147 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.394 -14.269 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.343 -15.966 -9.321 1.00 0.00 H new ATOM 435 N LEU A 27 5.302 -11.857 -11.578 1.00 0.00 N ATOM 436 CA LEU A 27 4.235 -11.651 -10.596 1.00 0.00 C ATOM 437 C LEU A 27 4.493 -10.338 -9.856 1.00 0.00 C ATOM 438 O LEU A 27 5.495 -10.210 -9.156 1.00 0.00 O ATOM 439 CB LEU A 27 4.262 -12.797 -9.583 1.00 0.00 C ATOM 440 CG LEU A 27 2.934 -13.150 -8.887 1.00 0.00 C ATOM 441 CD1 LEU A 27 3.154 -14.248 -7.859 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.286 -11.941 -8.235 1.00 0.00 C ATOM 0 H LEU A 27 6.159 -11.339 -11.385 1.00 0.00 H new ATOM 0 HA LEU A 27 3.268 -11.618 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.625 -13.690 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.993 -12.550 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 27 2.250 -13.507 -9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.207 -14.488 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.544 -15.137 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.869 -13.907 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.353 -12.241 -7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.960 -11.527 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.079 -11.186 -8.993 1.00 0.00 H new ATOM 454 N PRO A 28 3.633 -9.323 -10.039 1.00 0.00 N ATOM 455 CA PRO A 28 3.833 -7.999 -9.436 1.00 0.00 C ATOM 456 C PRO A 28 3.610 -7.960 -7.924 1.00 0.00 C ATOM 457 O PRO A 28 3.512 -6.889 -7.347 1.00 0.00 O ATOM 458 CB PRO A 28 2.788 -7.132 -10.139 1.00 0.00 C ATOM 459 CG PRO A 28 1.742 -8.072 -10.607 1.00 0.00 C ATOM 460 CD PRO A 28 2.442 -9.358 -10.905 1.00 0.00 C ATOM 0 HA PRO A 28 4.864 -7.669 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.372 -6.390 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.228 -6.587 -10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.976 -8.213 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.241 -7.686 -11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.810 -10.218 -10.681 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.716 -9.429 -11.958 1.00 0.00 H new ATOM 468 N SER A 29 3.591 -9.124 -7.295 1.00 0.00 N ATOM 469 CA SER A 29 3.432 -9.246 -5.855 1.00 0.00 C ATOM 470 C SER A 29 3.894 -10.621 -5.391 1.00 0.00 C ATOM 471 O SER A 29 3.153 -11.374 -4.762 1.00 0.00 O ATOM 472 CB SER A 29 1.991 -8.980 -5.455 1.00 0.00 C ATOM 473 OG SER A 29 1.076 -9.745 -6.224 1.00 0.00 O ATOM 0 H SER A 29 3.686 -10.019 -7.774 1.00 0.00 H new ATOM 0 HA SER A 29 4.055 -8.498 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.859 -9.212 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.770 -7.920 -5.578 1.00 0.00 H new ATOM 0 HG SER A 29 0.375 -9.158 -6.578 1.00 0.00 H new ATOM 479 N CYS A 30 5.104 -10.962 -5.808 1.00 0.00 N ATOM 480 CA CYS A 30 5.705 -12.273 -5.572 1.00 0.00 C ATOM 481 C CYS A 30 6.038 -12.509 -4.087 1.00 0.00 C ATOM 482 O CYS A 30 7.154 -12.894 -3.740 1.00 0.00 O ATOM 483 CB CYS A 30 6.970 -12.374 -6.413 1.00 0.00 C ATOM 484 SG CYS A 30 7.750 -14.002 -6.428 1.00 0.00 S ATOM 0 H CYS A 30 5.709 -10.327 -6.329 1.00 0.00 H new ATOM 0 HA CYS A 30 4.985 -13.040 -5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.729 -12.094 -7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.692 -11.645 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 30 7.919 -14.413 -5.206 1.00 0.00 H new ATOM 490 N GLY A 31 5.066 -12.296 -3.226 1.00 0.00 N ATOM 491 CA GLY A 31 5.264 -12.505 -1.805 1.00 0.00 C ATOM 492 C GLY A 31 3.953 -12.655 -1.061 1.00 0.00 C ATOM 493 O GLY A 31 3.040 -13.324 -1.543 1.00 0.00 O ATOM 0 H GLY A 31 4.131 -11.979 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.871 -13.397 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.821 -11.665 -1.390 1.00 0.00 H new ATOM 497 N PHE A 32 3.839 -12.018 0.099 1.00 0.00 N ATOM 498 CA PHE A 32 2.605 -12.092 0.875 1.00 0.00 C ATOM 499 C PHE A 32 1.541 -11.215 0.276 1.00 0.00 C ATOM 500 O PHE A 32 0.370 -11.558 0.281 1.00 0.00 O ATOM 501 CB PHE A 32 2.794 -11.682 2.333 1.00 0.00 C ATOM 502 CG PHE A 32 3.593 -12.646 3.141 1.00 0.00 C ATOM 503 CD1 PHE A 32 4.963 -12.750 2.986 1.00 0.00 C ATOM 504 CD2 PHE A 32 2.953 -13.465 4.046 1.00 0.00 C ATOM 505 CE1 PHE A 32 5.686 -13.659 3.732 1.00 0.00 C ATOM 506 CE2 PHE A 32 3.667 -14.377 4.798 1.00 0.00 C ATOM 507 CZ PHE A 32 5.038 -14.473 4.642 1.00 0.00 C ATOM 0 H PHE A 32 4.575 -11.451 0.519 1.00 0.00 H new ATOM 0 HA PHE A 32 2.302 -13.139 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.282 -10.708 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.814 -11.563 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.471 -12.115 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.882 -13.393 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.756 -13.734 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.156 -15.013 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.601 -15.183 5.230 1.00 0.00 H new ATOM 517 N SER A 33 1.940 -10.048 -0.182 1.00 0.00 N ATOM 518 CA SER A 33 0.999 -9.080 -0.716 1.00 0.00 C ATOM 519 C SER A 33 0.195 -9.664 -1.879 1.00 0.00 C ATOM 520 O SER A 33 -0.815 -9.092 -2.279 1.00 0.00 O ATOM 521 CB SER A 33 1.726 -7.816 -1.145 1.00 0.00 C ATOM 522 OG SER A 33 0.811 -6.794 -1.476 1.00 0.00 O ATOM 0 H SER A 33 2.913 -9.743 -0.196 1.00 0.00 H new ATOM 0 HA SER A 33 0.294 -8.826 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.380 -7.477 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.362 -8.032 -2.003 1.00 0.00 H new ATOM 0 HG SER A 33 -0.050 -7.193 -1.721 1.00 0.00 H new ATOM 528 N ALA A 34 0.618 -10.830 -2.366 1.00 0.00 N ATOM 529 CA ALA A 34 -0.092 -11.541 -3.420 1.00 0.00 C ATOM 530 C ALA A 34 -1.564 -11.749 -3.063 1.00 0.00 C ATOM 531 O ALA A 34 -2.438 -11.555 -3.901 1.00 0.00 O ATOM 532 CB ALA A 34 0.573 -12.882 -3.693 1.00 0.00 C ATOM 0 H ALA A 34 1.460 -11.304 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.048 -10.928 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.032 -13.402 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.604 -12.720 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.560 -13.486 -2.786 1.00 0.00 H new ATOM 538 N GLN A 35 -1.855 -12.140 -1.827 1.00 0.00 N ATOM 539 CA GLN A 35 -3.246 -12.335 -1.446 1.00 0.00 C ATOM 540 C GLN A 35 -3.891 -10.978 -1.123 1.00 0.00 C ATOM 541 O GLN A 35 -5.091 -10.785 -1.303 1.00 0.00 O ATOM 542 CB GLN A 35 -3.419 -13.343 -0.284 1.00 0.00 C ATOM 543 CG GLN A 35 -3.427 -12.761 1.122 1.00 0.00 C ATOM 544 CD GLN A 35 -2.070 -12.336 1.613 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.173 -13.162 1.788 1.00 0.00 O ATOM 546 NE2 GLN A 35 -1.907 -11.047 1.826 1.00 0.00 N ATOM 0 H GLN A 35 -1.170 -12.323 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.762 -12.780 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.354 -13.882 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.615 -14.076 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.097 -11.901 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.836 -13.502 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.681 -10.402 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.007 -10.694 2.150 1.00 0.00 H new ATOM 555 N ALA A 36 -3.077 -10.057 -0.599 1.00 0.00 N ATOM 556 CA ALA A 36 -3.540 -8.731 -0.182 1.00 0.00 C ATOM 557 C ALA A 36 -4.004 -7.886 -1.361 1.00 0.00 C ATOM 558 O ALA A 36 -5.035 -7.216 -1.289 1.00 0.00 O ATOM 559 CB ALA A 36 -2.438 -8.009 0.577 1.00 0.00 C ATOM 0 H ALA A 36 -2.079 -10.210 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.400 -8.877 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.792 -7.024 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.165 -8.587 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.566 -7.897 -0.067 1.00 0.00 H new ATOM 565 N VAL A 37 -3.232 -7.917 -2.440 1.00 0.00 N ATOM 566 CA VAL A 37 -3.538 -7.155 -3.648 1.00 0.00 C ATOM 567 C VAL A 37 -4.946 -7.476 -4.138 1.00 0.00 C ATOM 568 O VAL A 37 -5.669 -6.602 -4.623 1.00 0.00 O ATOM 569 CB VAL A 37 -2.499 -7.446 -4.764 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.484 -8.911 -5.155 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.741 -6.590 -5.996 1.00 0.00 C ATOM 0 H VAL A 37 -2.377 -8.470 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.487 -6.094 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.525 -7.190 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.743 -9.071 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.229 -9.517 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.469 -9.200 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.993 -6.823 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.735 -6.795 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.668 -5.536 -5.727 1.00 0.00 H new ATOM 581 N GLN A 38 -5.323 -8.740 -3.997 1.00 0.00 N ATOM 582 CA GLN A 38 -6.631 -9.206 -4.418 1.00 0.00 C ATOM 583 C GLN A 38 -7.726 -8.539 -3.592 1.00 0.00 C ATOM 584 O GLN A 38 -8.708 -8.044 -4.138 1.00 0.00 O ATOM 585 CB GLN A 38 -6.719 -10.729 -4.272 1.00 0.00 C ATOM 586 CG GLN A 38 -5.475 -11.467 -4.755 1.00 0.00 C ATOM 587 CD GLN A 38 -5.100 -11.187 -6.208 1.00 0.00 C ATOM 588 OE1 GLN A 38 -4.060 -11.643 -6.684 1.00 0.00 O ATOM 589 NE2 GLN A 38 -5.951 -10.480 -6.939 1.00 0.00 N ATOM 0 H GLN A 38 -4.732 -9.465 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.773 -8.940 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.892 -10.975 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.583 -11.089 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.635 -11.194 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.633 -12.539 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.805 -10.115 -6.517 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.752 -10.301 -7.923 1.00 0.00 H new ATOM 598 N ALA A 39 -7.527 -8.509 -2.277 1.00 0.00 N ATOM 599 CA ALA A 39 -8.477 -7.886 -1.359 1.00 0.00 C ATOM 600 C ALA A 39 -8.692 -6.413 -1.689 1.00 0.00 C ATOM 601 O ALA A 39 -9.811 -5.915 -1.615 1.00 0.00 O ATOM 602 CB ALA A 39 -7.992 -8.025 0.073 1.00 0.00 C ATOM 0 H ALA A 39 -6.709 -8.912 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.431 -8.401 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.709 -7.556 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.895 -9.081 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.023 -7.537 0.178 1.00 0.00 H new ATOM 608 N LEU A 40 -7.603 -5.703 -1.962 1.00 0.00 N ATOM 609 CA LEU A 40 -7.668 -4.262 -2.195 1.00 0.00 C ATOM 610 C LEU A 40 -8.512 -3.962 -3.423 1.00 0.00 C ATOM 611 O LEU A 40 -9.479 -3.204 -3.358 1.00 0.00 O ATOM 612 CB LEU A 40 -6.276 -3.711 -2.449 1.00 0.00 C ATOM 613 CG LEU A 40 -5.999 -2.304 -1.895 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.631 -1.817 -2.342 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.082 -1.308 -2.291 1.00 0.00 C ATOM 0 H LEU A 40 -6.665 -6.099 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.108 -3.800 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.549 -4.400 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.103 -3.697 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.010 -2.374 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.451 -0.820 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.864 -2.499 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.595 -1.782 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.844 -0.328 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.134 -1.240 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.044 -1.642 -1.902 1.00 0.00 H new ATOM 627 N ALA A 41 -8.121 -4.567 -4.539 1.00 0.00 N ATOM 628 CA ALA A 41 -8.812 -4.380 -5.804 1.00 0.00 C ATOM 629 C ALA A 41 -10.260 -4.812 -5.678 1.00 0.00 C ATOM 630 O ALA A 41 -11.150 -4.265 -6.327 1.00 0.00 O ATOM 631 CB ALA A 41 -8.119 -5.161 -6.913 1.00 0.00 C ATOM 0 H ALA A 41 -7.320 -5.197 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.784 -3.321 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.651 -5.009 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.092 -4.812 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.118 -6.222 -6.665 1.00 0.00 H new ATOM 637 N ALA A 42 -10.477 -5.816 -4.849 1.00 0.00 N ATOM 638 CA ALA A 42 -11.817 -6.351 -4.642 1.00 0.00 C ATOM 639 C ALA A 42 -12.685 -5.389 -3.839 1.00 0.00 C ATOM 640 O ALA A 42 -13.855 -5.185 -4.159 1.00 0.00 O ATOM 641 CB ALA A 42 -11.757 -7.704 -3.951 1.00 0.00 C ATOM 0 H ALA A 42 -9.747 -6.279 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.273 -6.478 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.768 -8.084 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.191 -8.403 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.268 -7.597 -2.983 1.00 0.00 H new ATOM 647 N CYS A 43 -12.143 -4.901 -2.729 1.00 0.00 N ATOM 648 CA CYS A 43 -12.912 -4.079 -1.807 1.00 0.00 C ATOM 649 C CYS A 43 -13.116 -2.652 -2.328 1.00 0.00 C ATOM 650 O CYS A 43 -14.215 -2.106 -2.245 1.00 0.00 O ATOM 651 CB CYS A 43 -12.229 -4.057 -0.434 1.00 0.00 C ATOM 652 SG CYS A 43 -10.575 -3.328 -0.416 1.00 0.00 S ATOM 0 H CYS A 43 -11.176 -5.061 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.902 -4.527 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.861 -3.504 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.163 -5.079 -0.061 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.086 -3.332 -1.621 1.00 0.00 H new ATOM 658 N GLY A 44 -12.026 -2.014 -2.738 1.00 0.00 N ATOM 659 CA GLY A 44 -12.075 -0.613 -3.117 1.00 0.00 C ATOM 660 C GLY A 44 -12.101 -0.369 -4.613 1.00 0.00 C ATOM 661 O GLY A 44 -12.948 -0.899 -5.335 1.00 0.00 O ATOM 0 H GLY A 44 -11.104 -2.444 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.961 -0.160 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.209 -0.104 -2.693 1.00 0.00 H new ATOM 665 N GLU A 45 -11.217 0.521 -5.039 1.00 0.00 N ATOM 666 CA GLU A 45 -11.138 0.983 -6.417 1.00 0.00 C ATOM 667 C GLU A 45 -9.701 0.858 -6.919 1.00 0.00 C ATOM 668 O GLU A 45 -8.943 0.029 -6.408 1.00 0.00 O ATOM 669 CB GLU A 45 -11.674 2.423 -6.503 1.00 0.00 C ATOM 670 CG GLU A 45 -11.030 3.388 -5.513 1.00 0.00 C ATOM 671 CD GLU A 45 -9.823 4.145 -6.045 1.00 0.00 C ATOM 672 OE1 GLU A 45 -9.620 4.195 -7.270 1.00 0.00 O ATOM 673 OE2 GLU A 45 -9.110 4.775 -5.232 1.00 0.00 O ATOM 0 H GLU A 45 -10.523 0.950 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.759 0.364 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.516 2.798 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.750 2.409 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.781 4.110 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.728 2.828 -4.628 1.00 0.00 H new ATOM 680 N ARG A 46 -9.312 1.689 -7.874 1.00 0.00 N ATOM 681 CA ARG A 46 -7.945 1.684 -8.377 1.00 0.00 C ATOM 682 C ARG A 46 -6.953 2.087 -7.295 1.00 0.00 C ATOM 683 O ARG A 46 -7.303 2.722 -6.307 1.00 0.00 O ATOM 684 CB ARG A 46 -7.820 2.605 -9.581 1.00 0.00 C ATOM 685 CG ARG A 46 -8.652 2.150 -10.761 1.00 0.00 C ATOM 686 CD ARG A 46 -8.151 0.826 -11.324 1.00 0.00 C ATOM 687 NE ARG A 46 -6.786 0.927 -11.859 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.444 1.664 -12.920 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.369 2.305 -13.624 1.00 0.00 N ATOM 690 NH2 ARG A 46 -5.170 1.740 -13.286 1.00 0.00 N ATOM 0 H ARG A 46 -9.923 2.376 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.707 0.666 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.125 3.612 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.774 2.662 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.693 2.045 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.625 2.911 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.177 0.068 -10.541 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.824 0.492 -12.113 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.050 0.399 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.351 2.238 -13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.098 2.865 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.457 1.237 -12.758 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.904 2.301 -14.095 1.00 0.00 H new ATOM 704 N PHE A 47 -5.735 1.611 -7.426 1.00 0.00 N ATOM 705 CA PHE A 47 -4.743 1.824 -6.392 1.00 0.00 C ATOM 706 C PHE A 47 -3.351 1.662 -6.972 1.00 0.00 C ATOM 707 O PHE A 47 -3.139 0.865 -7.889 1.00 0.00 O ATOM 708 CB PHE A 47 -4.961 0.839 -5.238 1.00 0.00 C ATOM 709 CG PHE A 47 -4.678 -0.603 -5.557 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.373 -1.081 -5.602 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.719 -1.486 -5.785 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.118 -2.412 -5.866 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.467 -2.818 -6.055 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.167 -3.281 -6.092 1.00 0.00 C ATOM 0 H PHE A 47 -5.408 1.077 -8.231 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.846 2.837 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.329 1.139 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.994 0.923 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.550 -0.404 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.738 -1.131 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.100 -2.773 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.287 -3.497 -6.237 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.970 -4.323 -6.298 1.00 0.00 H new ATOM 724 N ALA A 48 -2.401 2.373 -6.409 1.00 0.00 N ATOM 725 CA ALA A 48 -1.027 2.245 -6.834 1.00 0.00 C ATOM 726 C ALA A 48 -0.271 1.337 -5.890 1.00 0.00 C ATOM 727 O ALA A 48 -0.523 1.329 -4.691 1.00 0.00 O ATOM 728 CB ALA A 48 -0.349 3.597 -6.943 1.00 0.00 C ATOM 0 H ALA A 48 -2.555 3.045 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.022 1.799 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.683 3.461 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.878 4.212 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.364 4.091 -5.971 1.00 0.00 H new ATOM 734 N TYR A 49 0.642 0.566 -6.433 1.00 0.00 N ATOM 735 CA TYR A 49 1.420 -0.351 -5.638 1.00 0.00 C ATOM 736 C TYR A 49 2.896 -0.050 -5.887 1.00 0.00 C ATOM 737 O TYR A 49 3.253 0.474 -6.942 1.00 0.00 O ATOM 738 CB TYR A 49 1.085 -1.806 -6.014 1.00 0.00 C ATOM 739 CG TYR A 49 1.860 -2.322 -7.196 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.153 -2.772 -7.015 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.310 -2.380 -8.465 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.897 -3.255 -8.060 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.045 -2.869 -9.531 1.00 0.00 C ATOM 744 CZ TYR A 49 3.344 -3.302 -9.323 1.00 0.00 C ATOM 745 OH TYR A 49 4.086 -3.790 -10.378 1.00 0.00 O ATOM 0 H TYR A 49 0.864 0.557 -7.429 1.00 0.00 H new ATOM 0 HA TYR A 49 1.189 -0.228 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.281 -2.448 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.019 -1.879 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.588 -2.743 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.297 -2.040 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.908 -3.596 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.609 -2.913 -10.518 1.00 0.00 H new ATOM 0 HH TYR A 49 3.550 -3.756 -11.198 1.00 0.00 H new ATOM 755 N VAL A 50 3.744 -0.379 -4.934 1.00 0.00 N ATOM 756 CA VAL A 50 5.167 -0.150 -5.075 1.00 0.00 C ATOM 757 C VAL A 50 5.941 -1.407 -4.724 1.00 0.00 C ATOM 758 O VAL A 50 5.773 -1.967 -3.641 1.00 0.00 O ATOM 759 CB VAL A 50 5.647 0.999 -4.159 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.124 1.270 -4.368 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.836 2.259 -4.398 1.00 0.00 C ATOM 0 H VAL A 50 3.471 -0.808 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 50 5.350 0.124 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 50 5.497 0.689 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.441 2.082 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.695 0.372 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.299 1.551 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.194 3.052 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.946 2.571 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.785 2.061 -4.188 1.00 0.00 H new ATOM 771 N ASP A 51 6.851 -1.789 -5.603 1.00 0.00 N ATOM 772 CA ASP A 51 7.733 -2.909 -5.347 1.00 0.00 C ATOM 773 C ASP A 51 8.810 -2.513 -4.345 1.00 0.00 C ATOM 774 O ASP A 51 9.390 -1.432 -4.431 1.00 0.00 O ATOM 775 CB ASP A 51 8.373 -3.419 -6.642 1.00 0.00 C ATOM 776 CG ASP A 51 9.170 -2.358 -7.373 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.578 -1.342 -7.794 1.00 0.00 O ATOM 778 OD2 ASP A 51 10.389 -2.538 -7.530 1.00 0.00 O ATOM 0 H ASP A 51 6.997 -1.335 -6.505 1.00 0.00 H new ATOM 0 HA ASP A 51 7.137 -3.718 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.027 -4.260 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.592 -3.796 -7.302 1.00 0.00 H new ATOM 783 N ILE A 52 9.006 -3.359 -3.350 1.00 0.00 N ATOM 784 CA ILE A 52 9.937 -3.081 -2.264 1.00 0.00 C ATOM 785 C ILE A 52 10.554 -4.352 -1.705 1.00 0.00 C ATOM 786 O ILE A 52 11.749 -4.383 -1.457 1.00 0.00 O ATOM 787 CB ILE A 52 9.318 -2.222 -1.142 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.821 -2.449 -1.025 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.608 -0.761 -1.377 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.440 -3.808 -0.525 1.00 0.00 C ATOM 0 H ILE A 52 8.528 -4.256 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 52 10.737 -2.487 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 52 9.776 -2.528 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.403 -1.698 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.364 -2.293 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.164 -0.169 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.686 -0.602 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.183 -0.455 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.354 -3.885 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.825 -4.567 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.864 -3.963 0.467 1.00 0.00 H new ATOM 802 N LEU A 53 9.821 -5.464 -1.725 1.00 0.00 N ATOM 803 CA LEU A 53 10.469 -6.748 -1.450 1.00 0.00 C ATOM 804 C LEU A 53 11.418 -7.089 -2.596 1.00 0.00 C ATOM 805 O LEU A 53 12.239 -7.993 -2.493 1.00 0.00 O ATOM 806 CB LEU A 53 9.492 -7.912 -1.220 1.00 0.00 C ATOM 807 CG LEU A 53 8.588 -7.823 0.014 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.336 -7.202 1.172 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.305 -7.073 -0.277 1.00 0.00 C ATOM 0 H LEU A 53 8.821 -5.507 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 53 11.011 -6.625 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.856 -8.001 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.071 -8.833 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 53 8.304 -8.838 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.680 -7.146 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.206 -7.813 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.662 -6.199 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.694 -7.034 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.541 -6.059 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.755 -7.586 -1.066 1.00 0.00 H new ATOM 821 N GLN A 54 11.333 -6.303 -3.665 1.00 0.00 N ATOM 822 CA GLN A 54 12.219 -6.456 -4.806 1.00 0.00 C ATOM 823 C GLN A 54 13.401 -5.485 -4.686 1.00 0.00 C ATOM 824 O GLN A 54 14.551 -5.905 -4.780 1.00 0.00 O ATOM 825 CB GLN A 54 11.425 -6.252 -6.120 1.00 0.00 C ATOM 826 CG GLN A 54 12.238 -6.434 -7.403 1.00 0.00 C ATOM 827 CD GLN A 54 13.039 -5.209 -7.817 1.00 0.00 C ATOM 828 OE1 GLN A 54 13.881 -5.284 -8.708 1.00 0.00 O ATOM 829 NE2 GLN A 54 12.717 -4.057 -7.251 1.00 0.00 N ATOM 0 H GLN A 54 10.653 -5.549 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 54 12.628 -7.466 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.590 -6.953 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.999 -5.249 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.922 -7.272 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.560 -6.701 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.013 -4.030 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.173 -3.196 -7.552 1.00 0.00 H new ATOM 838 N ASN A 55 13.123 -4.211 -4.383 1.00 0.00 N ATOM 839 CA ASN A 55 14.189 -3.228 -4.152 1.00 0.00 C ATOM 840 C ASN A 55 14.852 -3.464 -2.810 1.00 0.00 C ATOM 841 O ASN A 55 14.184 -3.518 -1.790 1.00 0.00 O ATOM 842 CB ASN A 55 13.648 -1.794 -4.197 1.00 0.00 C ATOM 843 CG ASN A 55 13.119 -1.406 -5.560 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.839 -1.465 -6.554 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.863 -0.996 -5.620 1.00 0.00 N ATOM 0 H ASN A 55 12.178 -3.839 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 55 14.921 -3.354 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.852 -1.688 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.441 -1.103 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.460 -0.715 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.297 -0.961 -4.772 1.00 0.00 H new ATOM 852 N PRO A 56 16.177 -3.604 -2.787 1.00 0.00 N ATOM 853 CA PRO A 56 16.916 -3.833 -1.546 1.00 0.00 C ATOM 854 C PRO A 56 16.922 -2.615 -0.614 1.00 0.00 C ATOM 855 O PRO A 56 16.855 -2.761 0.606 1.00 0.00 O ATOM 856 CB PRO A 56 18.334 -4.155 -2.028 1.00 0.00 C ATOM 857 CG PRO A 56 18.440 -3.537 -3.379 1.00 0.00 C ATOM 858 CD PRO A 56 17.058 -3.559 -3.968 1.00 0.00 C ATOM 0 HA PRO A 56 16.462 -4.626 -0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.082 -3.747 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.499 -5.231 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.816 -2.516 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.138 -4.092 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.868 -2.675 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.910 -4.426 -4.611 1.00 0.00 H new ATOM 866 N ASP A 57 17.124 -1.431 -1.185 1.00 0.00 N ATOM 867 CA ASP A 57 17.290 -0.213 -0.381 1.00 0.00 C ATOM 868 C ASP A 57 15.962 0.300 0.159 1.00 0.00 C ATOM 869 O ASP A 57 15.827 0.575 1.353 1.00 0.00 O ATOM 870 CB ASP A 57 17.953 0.893 -1.207 1.00 0.00 C ATOM 871 CG ASP A 57 19.310 0.491 -1.744 1.00 0.00 C ATOM 872 OD1 ASP A 57 20.213 0.194 -0.935 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.475 0.467 -2.982 1.00 0.00 O ATOM 0 H ASP A 57 17.177 -1.284 -2.193 1.00 0.00 H new ATOM 0 HA ASP A 57 17.927 -0.478 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.302 1.158 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.061 1.785 -0.590 1.00 0.00 H new ATOM 878 N ILE A 58 15.006 0.488 -0.743 1.00 0.00 N ATOM 879 CA ILE A 58 13.698 1.043 -0.392 1.00 0.00 C ATOM 880 C ILE A 58 12.992 0.140 0.621 1.00 0.00 C ATOM 881 O ILE A 58 12.248 0.603 1.487 1.00 0.00 O ATOM 882 CB ILE A 58 12.813 1.216 -1.649 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.582 1.973 -2.738 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.543 1.977 -1.293 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.799 2.162 -4.020 1.00 0.00 C ATOM 0 H ILE A 58 15.111 0.263 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 58 13.858 2.024 0.054 1.00 0.00 H new ATOM 0 HB ILE A 58 12.545 0.229 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.871 2.951 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.502 1.433 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.927 2.094 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.987 1.423 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.805 2.960 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.409 2.705 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.532 1.188 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.892 2.729 -3.812 1.00 0.00 H new ATOM 897 N ARG A 59 13.266 -1.152 0.490 1.00 0.00 N ATOM 898 CA ARG A 59 12.721 -2.199 1.351 1.00 0.00 C ATOM 899 C ARG A 59 12.961 -1.911 2.830 1.00 0.00 C ATOM 900 O ARG A 59 12.252 -2.429 3.683 1.00 0.00 O ATOM 901 CB ARG A 59 13.410 -3.516 1.003 1.00 0.00 C ATOM 902 CG ARG A 59 12.826 -4.750 1.668 1.00 0.00 C ATOM 903 CD ARG A 59 13.696 -5.963 1.387 1.00 0.00 C ATOM 904 NE ARG A 59 13.973 -6.119 -0.042 1.00 0.00 N ATOM 905 CZ ARG A 59 14.780 -7.054 -0.545 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.358 -7.935 0.262 1.00 0.00 N ATOM 907 NH2 ARG A 59 15.018 -7.102 -1.851 1.00 0.00 N ATOM 0 H ARG A 59 13.888 -1.511 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 59 11.645 -2.246 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.371 -3.653 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.462 -3.440 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.750 -4.590 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.815 -4.926 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.636 -5.869 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.200 -6.859 1.760 1.00 0.00 H new ATOM 0 HE ARG A 59 13.522 -5.474 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.185 -7.897 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.975 -8.650 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.583 -6.422 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.636 -7.819 -2.231 1.00 0.00 H new ATOM 921 N ALA A 60 14.100 -1.306 3.122 1.00 0.00 N ATOM 922 CA ALA A 60 14.570 -1.203 4.495 1.00 0.00 C ATOM 923 C ALA A 60 14.138 0.083 5.198 1.00 0.00 C ATOM 924 O ALA A 60 13.891 0.070 6.402 1.00 0.00 O ATOM 925 CB ALA A 60 16.086 -1.331 4.529 1.00 0.00 C ATOM 0 H ALA A 60 14.716 -0.879 2.430 1.00 0.00 H new ATOM 0 HA ALA A 60 14.105 -2.021 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.435 -1.253 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.379 -2.297 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.532 -0.534 3.934 1.00 0.00 H new ATOM 931 N GLU A 61 14.353 1.213 4.541 1.00 0.00 N ATOM 932 CA GLU A 61 14.316 2.498 5.248 1.00 0.00 C ATOM 933 C GLU A 61 12.914 2.998 5.569 1.00 0.00 C ATOM 934 O GLU A 61 12.634 3.352 6.718 1.00 0.00 O ATOM 935 CB GLU A 61 15.061 3.556 4.441 1.00 0.00 C ATOM 936 CG GLU A 61 16.532 3.234 4.232 1.00 0.00 C ATOM 937 CD GLU A 61 17.309 3.141 5.535 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.984 2.278 6.380 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.256 3.933 5.719 1.00 0.00 O ATOM 0 H GLU A 61 14.551 1.275 3.542 1.00 0.00 H new ATOM 0 HA GLU A 61 14.804 2.323 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.580 3.666 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.976 4.516 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.619 2.289 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.981 4.002 3.602 1.00 0.00 H new ATOM 946 N LEU A 62 12.059 3.115 4.564 1.00 0.00 N ATOM 947 CA LEU A 62 10.733 3.681 4.785 1.00 0.00 C ATOM 948 C LEU A 62 9.830 2.771 5.644 1.00 0.00 C ATOM 949 O LEU A 62 9.034 3.281 6.420 1.00 0.00 O ATOM 950 CB LEU A 62 10.049 4.078 3.462 1.00 0.00 C ATOM 951 CG LEU A 62 9.591 2.934 2.554 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.277 2.364 3.042 1.00 0.00 C ATOM 953 CD2 LEU A 62 9.443 3.403 1.133 1.00 0.00 C ATOM 0 H LEU A 62 12.252 2.832 3.603 1.00 0.00 H new ATOM 0 HA LEU A 62 10.885 4.595 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.181 4.693 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.739 4.705 2.897 1.00 0.00 H new ATOM 0 HG LEU A 62 10.353 2.155 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.966 1.552 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.400 1.984 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.517 3.146 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.117 2.572 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.703 4.203 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.401 3.775 0.771 1.00 0.00 H new ATOM 965 N PRO A 63 9.893 1.423 5.534 1.00 0.00 N ATOM 966 CA PRO A 63 9.032 0.550 6.338 1.00 0.00 C ATOM 967 C PRO A 63 9.236 0.787 7.824 1.00 0.00 C ATOM 968 O PRO A 63 8.267 0.923 8.579 1.00 0.00 O ATOM 969 CB PRO A 63 9.480 -0.857 5.955 1.00 0.00 C ATOM 970 CG PRO A 63 10.832 -0.666 5.386 1.00 0.00 C ATOM 971 CD PRO A 63 10.758 0.627 4.651 1.00 0.00 C ATOM 0 HA PRO A 63 7.973 0.728 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.503 -1.517 6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.803 -1.307 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.589 -0.633 6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.099 -1.485 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.740 1.081 4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.329 0.508 3.656 1.00 0.00 H new ATOM 979 N LYS A 64 10.501 0.935 8.224 1.00 0.00 N ATOM 980 CA LYS A 64 10.821 1.266 9.605 1.00 0.00 C ATOM 981 C LYS A 64 10.153 2.572 9.996 1.00 0.00 C ATOM 982 O LYS A 64 9.701 2.735 11.131 1.00 0.00 O ATOM 983 CB LYS A 64 12.332 1.358 9.846 1.00 0.00 C ATOM 984 CG LYS A 64 13.081 0.048 9.651 1.00 0.00 C ATOM 985 CD LYS A 64 14.492 0.120 10.231 1.00 0.00 C ATOM 986 CE LYS A 64 15.382 1.125 9.513 1.00 0.00 C ATOM 987 NZ LYS A 64 15.736 0.681 8.141 1.00 0.00 N ATOM 0 H LYS A 64 11.311 0.831 7.613 1.00 0.00 H new ATOM 0 HA LYS A 64 10.440 0.457 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.750 2.105 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.505 1.713 10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.530 -0.762 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.135 -0.187 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.431 0.386 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.951 -0.867 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.872 2.087 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.294 1.278 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.410 1.353 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.170 -0.263 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.877 0.642 7.556 1.00 0.00 H new ATOM 1001 N TYR A 65 10.047 3.484 9.035 1.00 0.00 N ATOM 1002 CA TYR A 65 9.380 4.750 9.266 1.00 0.00 C ATOM 1003 C TYR A 65 7.893 4.515 9.531 1.00 0.00 C ATOM 1004 O TYR A 65 7.298 5.223 10.346 1.00 0.00 O ATOM 1005 CB TYR A 65 9.638 5.749 8.092 1.00 0.00 C ATOM 1006 CG TYR A 65 8.453 6.135 7.192 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.265 6.625 7.725 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.545 6.045 5.797 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.213 6.992 6.919 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.491 6.425 4.987 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.329 6.893 5.555 1.00 0.00 C ATOM 1012 OH TYR A 65 5.283 7.288 4.757 1.00 0.00 O ATOM 0 H TYR A 65 10.416 3.366 8.091 1.00 0.00 H new ATOM 0 HA TYR A 65 9.800 5.219 10.156 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.044 6.666 8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.414 5.322 7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.167 6.719 8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.454 5.673 5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.297 7.358 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.580 6.355 3.913 1.00 0.00 H new ATOM 0 HH TYR A 65 4.517 6.696 4.905 1.00 0.00 H new ATOM 1022 N ALA A 66 7.261 3.586 8.799 1.00 0.00 N ATOM 1023 CA ALA A 66 5.833 3.403 8.950 1.00 0.00 C ATOM 1024 C ALA A 66 5.494 2.730 10.262 1.00 0.00 C ATOM 1025 O ALA A 66 4.763 3.282 11.089 1.00 0.00 O ATOM 1026 CB ALA A 66 5.329 2.546 7.813 1.00 0.00 C ATOM 0 H ALA A 66 7.710 2.972 8.119 1.00 0.00 H new ATOM 0 HA ALA A 66 5.358 4.384 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.254 2.401 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.540 3.040 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.830 1.578 7.837 1.00 0.00 H new ATOM 1032 N ASN A 67 6.121 1.592 10.494 1.00 0.00 N ATOM 1033 CA ASN A 67 5.987 0.895 11.756 1.00 0.00 C ATOM 1034 C ASN A 67 6.970 -0.259 11.819 1.00 0.00 C ATOM 1035 O ASN A 67 7.527 -0.555 12.876 1.00 0.00 O ATOM 1036 CB ASN A 67 4.547 0.398 11.944 1.00 0.00 C ATOM 1037 CG ASN A 67 4.301 -0.303 13.269 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.864 -1.360 13.552 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.446 0.288 14.086 1.00 0.00 N ATOM 0 H ASN A 67 6.731 1.130 9.820 1.00 0.00 H new ATOM 0 HA ASN A 67 6.214 1.587 12.567 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.868 1.246 11.862 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.301 -0.286 11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.231 -0.132 14.990 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.001 1.164 13.812 1.00 0.00 H new ATOM 1046 N TRP A 68 7.000 -1.045 10.740 1.00 0.00 N ATOM 1047 CA TRP A 68 7.697 -2.306 10.787 1.00 0.00 C ATOM 1048 C TRP A 68 8.756 -2.478 9.704 1.00 0.00 C ATOM 1049 O TRP A 68 8.691 -1.852 8.663 1.00 0.00 O ATOM 1050 CB TRP A 68 6.718 -3.451 10.851 1.00 0.00 C ATOM 1051 CG TRP A 68 5.856 -3.708 9.679 1.00 0.00 C ATOM 1052 CD1 TRP A 68 6.072 -4.617 8.714 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.638 -3.069 9.380 1.00 0.00 C ATOM 1054 NE1 TRP A 68 4.987 -4.660 7.859 1.00 0.00 N ATOM 1055 CE2 TRP A 68 4.098 -3.694 8.247 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.947 -2.042 9.984 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 2.867 -3.320 7.717 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.737 -1.661 9.459 1.00 0.00 C ATOM 1059 CH2 TRP A 68 2.202 -2.307 8.341 1.00 0.00 C ATOM 0 H TRP A 68 6.557 -0.827 9.848 1.00 0.00 H new ATOM 0 HA TRP A 68 8.275 -2.309 11.711 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.284 -4.360 11.052 1.00 0.00 H new ATOM 0 HB3 TRP A 68 6.068 -3.284 11.710 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.961 -5.224 8.620 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.869 -5.301 7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.350 -1.546 10.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 2.456 -3.812 6.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.190 -0.850 9.917 1.00 0.00 H new ATOM 0 HH2 TRP A 68 1.239 -1.996 7.963 1.00 0.00 H new ATOM 1070 N PRO A 69 9.846 -3.194 10.059 1.00 0.00 N ATOM 1071 CA PRO A 69 11.082 -3.317 9.266 1.00 0.00 C ATOM 1072 C PRO A 69 10.928 -3.466 7.754 1.00 0.00 C ATOM 1073 O PRO A 69 11.773 -2.959 7.016 1.00 0.00 O ATOM 1074 CB PRO A 69 11.710 -4.568 9.857 1.00 0.00 C ATOM 1075 CG PRO A 69 11.379 -4.483 11.305 1.00 0.00 C ATOM 1076 CD PRO A 69 10.038 -3.795 11.396 1.00 0.00 C ATOM 0 HA PRO A 69 11.661 -2.396 9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.301 -5.472 9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.787 -4.590 9.694 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.337 -5.476 11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.141 -3.921 11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.243 -4.502 11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.032 -3.036 12.178 1.00 0.00 H new ATOM 1084 N THR A 70 9.916 -4.179 7.276 1.00 0.00 N ATOM 1085 CA THR A 70 9.766 -4.376 5.841 1.00 0.00 C ATOM 1086 C THR A 70 8.304 -4.301 5.404 1.00 0.00 C ATOM 1087 O THR A 70 7.613 -3.338 5.711 1.00 0.00 O ATOM 1088 CB THR A 70 10.409 -5.704 5.380 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.967 -6.787 6.208 1.00 0.00 O ATOM 1090 CG2 THR A 70 11.930 -5.615 5.402 1.00 0.00 C ATOM 0 H THR A 70 9.199 -4.623 7.849 1.00 0.00 H new ATOM 0 HA THR A 70 10.297 -3.558 5.355 1.00 0.00 H new ATOM 0 HB THR A 70 10.093 -5.891 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.381 -7.622 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.355 -6.563 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.258 -4.819 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.267 -5.399 6.416 1.00 0.00 H new ATOM 1098 N PHE A 71 7.885 -5.228 4.560 1.00 0.00 N ATOM 1099 CA PHE A 71 6.568 -5.152 3.934 1.00 0.00 C ATOM 1100 C PHE A 71 6.004 -6.570 3.770 1.00 0.00 C ATOM 1101 O PHE A 71 6.618 -7.519 4.258 1.00 0.00 O ATOM 1102 CB PHE A 71 6.689 -4.462 2.558 1.00 0.00 C ATOM 1103 CG PHE A 71 7.362 -3.110 2.573 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.746 -3.022 2.554 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.624 -1.933 2.568 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.373 -1.802 2.539 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.255 -0.705 2.551 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.630 -0.649 2.536 1.00 0.00 C ATOM 0 H PHE A 71 8.435 -6.044 4.290 1.00 0.00 H new ATOM 0 HA PHE A 71 5.893 -4.569 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.244 -5.119 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.690 -4.348 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.338 -3.926 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.545 -1.979 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.452 -1.749 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.674 0.205 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.128 0.309 2.522 1.00 0.00 H new ATOM 1118 N PRO A 72 4.855 -6.782 3.073 1.00 0.00 N ATOM 1119 CA PRO A 72 4.029 -5.734 2.432 1.00 0.00 C ATOM 1120 C PRO A 72 3.428 -4.725 3.405 1.00 0.00 C ATOM 1121 O PRO A 72 3.130 -5.047 4.557 1.00 0.00 O ATOM 1122 CB PRO A 72 2.906 -6.511 1.736 1.00 0.00 C ATOM 1123 CG PRO A 72 2.875 -7.842 2.399 1.00 0.00 C ATOM 1124 CD PRO A 72 4.270 -8.120 2.878 1.00 0.00 C ATOM 0 HA PRO A 72 4.646 -5.134 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.950 -5.998 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.100 -6.609 0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.173 -7.842 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.544 -8.613 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.267 -8.693 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.834 -8.700 2.148 1.00 0.00 H new ATOM 1132 N GLN A 73 3.151 -3.530 2.888 1.00 0.00 N ATOM 1133 CA GLN A 73 2.465 -2.500 3.653 1.00 0.00 C ATOM 1134 C GLN A 73 1.463 -1.770 2.776 1.00 0.00 C ATOM 1135 O GLN A 73 1.793 -1.306 1.687 1.00 0.00 O ATOM 1136 CB GLN A 73 3.431 -1.466 4.222 1.00 0.00 C ATOM 1137 CG GLN A 73 4.476 -2.025 5.168 1.00 0.00 C ATOM 1138 CD GLN A 73 5.346 -0.933 5.775 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.175 -1.187 6.636 1.00 0.00 O ATOM 1140 NE2 GLN A 73 5.155 0.301 5.329 1.00 0.00 N ATOM 0 H GLN A 73 3.394 -3.253 1.937 1.00 0.00 H new ATOM 0 HA GLN A 73 1.963 -3.008 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.938 -0.970 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.857 -0.703 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.982 -2.579 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.107 -2.734 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.455 0.480 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.708 1.071 5.706 1.00 0.00 H new ATOM 1149 N LEU A 74 0.263 -1.630 3.291 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.801 -0.903 2.614 1.00 0.00 C ATOM 1151 C LEU A 74 -0.845 0.528 3.135 1.00 0.00 C ATOM 1152 O LEU A 74 -0.735 0.754 4.343 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.133 -1.633 2.847 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.348 -1.162 2.031 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.824 0.213 2.462 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.009 -1.156 0.553 1.00 0.00 C ATOM 0 H LEU A 74 -0.010 -2.017 4.195 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.617 -0.864 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.978 -2.692 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.384 -1.548 3.904 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.161 -1.863 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.684 0.506 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.110 0.186 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.020 0.936 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.875 -0.821 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.173 -0.480 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.735 -2.163 0.239 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.053 1.479 2.232 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.180 2.879 2.598 1.00 0.00 C ATOM 1170 C TRP A 75 -2.453 3.476 2.013 1.00 0.00 C ATOM 1171 O TRP A 75 -2.699 3.407 0.808 1.00 0.00 O ATOM 1172 CB TRP A 75 0.021 3.679 2.114 1.00 0.00 C ATOM 1173 CG TRP A 75 1.309 3.248 2.730 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.029 2.118 2.472 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.990 3.935 3.769 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.155 2.093 3.265 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.143 3.201 4.077 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.733 5.116 4.455 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.039 3.622 5.055 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.619 5.529 5.422 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.759 4.783 5.715 1.00 0.00 C ATOM 0 H TRP A 75 -1.138 1.300 1.231 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.226 2.932 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.097 3.587 1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.143 4.734 2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.757 1.358 1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.877 1.372 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.852 5.700 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.926 3.049 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.429 6.445 5.962 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.436 5.131 6.481 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.237 4.096 2.871 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.469 4.752 2.464 1.00 0.00 C ATOM 1194 C VAL A 76 -4.325 6.255 2.656 1.00 0.00 C ATOM 1195 O VAL A 76 -4.089 6.697 3.777 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.652 4.240 3.313 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.958 4.893 2.909 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.759 2.736 3.208 1.00 0.00 C ATOM 0 H VAL A 76 -3.041 4.161 3.870 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.662 4.528 1.415 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.457 4.512 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.766 4.506 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.882 5.972 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.167 4.672 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.597 2.388 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.919 2.454 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.838 2.280 3.569 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.422 7.030 1.567 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.250 8.490 1.638 1.00 0.00 C ATOM 1210 C ASP A 77 -2.875 8.794 2.240 1.00 0.00 C ATOM 1211 O ASP A 77 -2.646 9.756 2.962 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.390 9.065 2.473 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.483 10.587 2.527 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.610 11.246 3.116 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.454 11.140 1.971 1.00 0.00 O ATOM 0 H ASP A 77 -4.617 6.674 0.631 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.287 8.951 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.331 8.678 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.291 8.691 3.492 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.967 7.902 1.942 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.612 7.993 2.447 1.00 0.00 C ATOM 1222 C GLY A 78 -0.507 7.674 3.928 1.00 0.00 C ATOM 1223 O GLY A 78 0.415 8.139 4.604 1.00 0.00 O ATOM 0 H GLY A 78 -2.140 7.093 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.025 7.308 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.231 8.999 2.270 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.413 6.839 4.425 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.370 6.412 5.816 1.00 0.00 C ATOM 1229 C GLU A 79 -1.213 4.904 5.919 1.00 0.00 C ATOM 1230 O GLU A 79 -1.881 4.152 5.212 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.611 6.849 6.590 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.819 8.352 6.624 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.909 8.758 7.590 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.736 8.537 8.810 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.945 9.293 7.144 1.00 0.00 O ATOM 0 H GLU A 79 -2.184 6.446 3.885 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.502 6.897 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.489 6.381 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.538 6.479 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.886 8.840 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.073 8.704 5.624 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.298 4.478 6.776 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.001 3.067 6.958 1.00 0.00 C ATOM 1244 C LEU A 80 -1.186 2.311 7.550 1.00 0.00 C ATOM 1245 O LEU A 80 -1.717 2.683 8.599 1.00 0.00 O ATOM 1246 CB LEU A 80 1.209 2.908 7.878 1.00 0.00 C ATOM 1247 CG LEU A 80 1.536 1.473 8.275 1.00 0.00 C ATOM 1248 CD1 LEU A 80 2.214 0.719 7.144 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.389 1.461 9.529 1.00 0.00 C ATOM 0 H LEU A 80 0.258 5.100 7.363 1.00 0.00 H new ATOM 0 HA LEU A 80 0.214 2.646 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.080 3.339 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.036 3.489 8.784 1.00 0.00 H new ATOM 0 HG LEU A 80 0.599 0.957 8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.431 -0.300 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.554 0.693 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.144 1.222 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.617 0.431 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.317 2.001 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.846 1.942 10.343 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.512 1.189 6.930 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.534 0.289 7.441 1.00 0.00 C ATOM 1263 C VAL A 81 -1.914 -1.070 7.772 1.00 0.00 C ATOM 1264 O VAL A 81 -2.053 -1.576 8.880 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.680 0.106 6.412 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.688 -0.928 6.885 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.380 1.430 6.145 1.00 0.00 C ATOM 0 H VAL A 81 -1.078 0.877 6.061 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.952 0.728 8.346 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.233 -0.251 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.478 -1.033 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.189 -1.887 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.121 -0.607 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.180 1.279 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.800 1.814 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.662 2.148 5.748 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.216 -1.635 6.795 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.560 -2.926 6.955 1.00 0.00 C ATOM 1279 C GLY A 82 -0.829 -3.809 5.758 1.00 0.00 C ATOM 1280 O GLY A 82 -1.902 -3.729 5.177 1.00 0.00 O ATOM 0 H GLY A 82 -1.089 -1.214 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.514 -2.782 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.919 -3.413 7.862 1.00 0.00 H new ATOM 1284 N GLY A 83 0.217 -4.432 5.241 1.00 0.00 N ATOM 1285 CA GLY A 83 0.119 -5.058 3.930 1.00 0.00 C ATOM 1286 C GLY A 83 -0.455 -6.466 3.895 1.00 0.00 C ATOM 1287 O GLY A 83 -1.340 -6.736 3.097 1.00 0.00 O ATOM 0 H GLY A 83 1.126 -4.518 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.496 -4.422 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.115 -5.084 3.488 1.00 0.00 H new ATOM 1291 N CYS A 84 0.187 -7.414 4.562 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.165 -8.819 4.343 1.00 0.00 C ATOM 1293 C CYS A 84 -1.480 -9.226 5.009 1.00 0.00 C ATOM 1294 O CYS A 84 -2.455 -9.545 4.329 1.00 0.00 O ATOM 1295 CB CYS A 84 0.976 -9.725 4.815 1.00 0.00 C ATOM 1296 SG CYS A 84 1.575 -9.352 6.479 1.00 0.00 S ATOM 0 H CYS A 84 0.932 -7.251 5.239 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.316 -8.941 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.639 -10.761 4.786 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.806 -9.640 4.114 1.00 0.00 H new ATOM 0 HG CYS A 84 0.940 -10.086 7.344 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.486 -9.269 6.329 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.661 -9.716 7.075 1.00 0.00 C ATOM 1304 C ASP A 85 -3.695 -8.616 7.149 1.00 0.00 C ATOM 1305 O ASP A 85 -4.899 -8.864 7.115 1.00 0.00 O ATOM 1306 CB ASP A 85 -2.270 -10.135 8.495 1.00 0.00 C ATOM 1307 CG ASP A 85 -1.211 -11.218 8.520 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -1.437 -12.299 7.939 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.145 -10.995 9.133 1.00 0.00 O ATOM 0 H ASP A 85 -0.693 -9.001 6.912 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.084 -10.572 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.904 -9.263 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.157 -10.489 9.021 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.206 -7.424 7.426 1.00 0.00 N ATOM 1315 CA ILE A 86 -4.059 -6.292 7.719 1.00 0.00 C ATOM 1316 C ILE A 86 -4.996 -5.950 6.558 1.00 0.00 C ATOM 1317 O ILE A 86 -6.188 -5.734 6.772 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.219 -5.084 8.141 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.415 -5.487 9.377 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.120 -3.896 8.440 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -1.603 -4.374 9.977 1.00 0.00 C ATOM 0 H ILE A 86 -2.208 -7.214 7.454 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.700 -6.573 8.554 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.543 -4.786 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.101 -5.869 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.747 -6.306 9.110 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.510 -3.043 8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.691 -3.639 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.805 -4.153 9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.064 -4.746 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.890 -4.005 9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.265 -3.562 10.279 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.480 -5.986 5.330 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.319 -5.760 4.154 1.00 0.00 C ATOM 1335 C VAL A 87 -6.434 -6.791 4.072 1.00 0.00 C ATOM 1336 O VAL A 87 -7.597 -6.433 3.913 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.516 -5.796 2.835 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.441 -5.698 1.631 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.509 -4.670 2.795 1.00 0.00 C ATOM 0 H VAL A 87 -3.497 -6.167 5.125 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.740 -4.762 4.275 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.988 -6.749 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.850 -5.726 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.138 -6.536 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.998 -4.762 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.953 -4.712 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.029 -3.714 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.818 -4.770 3.632 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.080 -8.067 4.184 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.072 -9.130 4.117 1.00 0.00 C ATOM 1351 C ILE A 88 -8.100 -9.000 5.225 1.00 0.00 C ATOM 1352 O ILE A 88 -9.300 -9.092 4.967 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.438 -10.533 4.179 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.579 -10.781 2.942 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.518 -11.603 4.301 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.363 -10.742 1.646 1.00 0.00 C ATOM 0 H ILE A 88 -5.121 -8.387 4.320 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.564 -9.018 3.151 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.800 -10.586 5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.788 -10.032 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.093 -11.752 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.052 -12.587 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.095 -11.435 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.180 -11.552 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.690 -10.926 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.137 -11.509 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.827 -9.762 1.531 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.646 -8.821 6.461 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.586 -8.735 7.563 1.00 0.00 C ATOM 1370 C GLU A 89 -9.499 -7.540 7.371 1.00 0.00 C ATOM 1371 O GLU A 89 -10.704 -7.702 7.351 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.894 -8.627 8.917 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.865 -8.755 10.088 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.191 -8.561 11.426 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.246 -9.310 11.742 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.626 -7.666 12.178 1.00 0.00 O ATOM 0 H GLU A 89 -6.662 -8.735 6.717 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.163 -9.659 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.134 -9.404 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.378 -7.669 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.662 -8.019 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.334 -9.739 10.061 1.00 0.00 H new ATOM 1383 N MET A 90 -8.924 -6.350 7.190 1.00 0.00 N ATOM 1384 CA MET A 90 -9.717 -5.139 6.974 1.00 0.00 C ATOM 1385 C MET A 90 -10.621 -5.261 5.750 1.00 0.00 C ATOM 1386 O MET A 90 -11.768 -4.818 5.785 1.00 0.00 O ATOM 1387 CB MET A 90 -8.836 -3.885 6.910 1.00 0.00 C ATOM 1388 CG MET A 90 -8.234 -3.526 8.258 1.00 0.00 C ATOM 1389 SD MET A 90 -7.444 -1.909 8.263 1.00 0.00 S ATOM 1390 CE MET A 90 -6.904 -1.807 9.968 1.00 0.00 C ATOM 0 H MET A 90 -7.915 -6.199 7.189 1.00 0.00 H new ATOM 0 HA MET A 90 -10.369 -5.027 7.840 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.034 -4.045 6.189 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.430 -3.046 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.017 -3.545 9.017 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.502 -4.284 8.537 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.809 -0.760 10.258 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.635 -2.297 10.611 1.00 0.00 H new ATOM 0 HE3 MET A 90 -5.938 -2.301 10.074 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.163 -5.994 4.747 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.996 -6.344 3.603 1.00 0.00 C ATOM 1402 C TYR A 91 -12.235 -7.110 4.052 1.00 0.00 C ATOM 1403 O TYR A 91 -13.362 -6.714 3.750 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.167 -7.189 2.638 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.949 -8.062 1.683 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.732 -7.537 0.665 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.856 -9.439 1.793 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.410 -8.368 -0.208 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.520 -10.273 0.930 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.300 -9.738 -0.071 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.967 -10.572 -0.940 1.00 0.00 O ATOM 0 H TYR A 91 -9.212 -6.361 4.701 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.332 -5.435 3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.534 -6.522 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.504 -7.827 3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.813 -6.466 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.247 -9.866 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.022 -7.948 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.432 -11.344 1.035 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.781 -11.505 -0.705 1.00 0.00 H new ATOM 1421 N GLN A 92 -12.012 -8.175 4.807 1.00 0.00 N ATOM 1422 CA GLN A 92 -13.097 -8.983 5.351 1.00 0.00 C ATOM 1423 C GLN A 92 -13.923 -8.168 6.350 1.00 0.00 C ATOM 1424 O GLN A 92 -15.152 -8.254 6.383 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.535 -10.232 6.029 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.679 -11.087 5.107 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.150 -12.329 5.788 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.469 -12.251 6.811 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.448 -13.484 5.217 1.00 0.00 N ATOM 0 H GLN A 92 -11.080 -8.504 5.060 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.746 -9.288 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.939 -9.931 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.361 -10.834 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.268 -11.377 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.841 -10.493 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.015 -13.503 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.110 -14.356 5.624 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.224 -7.361 7.147 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.843 -6.491 8.141 1.00 0.00 C ATOM 1440 C ARG A 93 -14.807 -5.520 7.478 1.00 0.00 C ATOM 1441 O ARG A 93 -15.723 -5.008 8.115 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.783 -5.666 8.886 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.739 -6.462 9.655 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.365 -7.357 10.702 1.00 0.00 C ATOM 1445 NE ARG A 93 -11.383 -7.963 11.592 1.00 0.00 N ATOM 1446 CZ ARG A 93 -11.692 -8.829 12.554 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -12.923 -9.322 12.639 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -10.759 -9.221 13.411 1.00 0.00 N ATOM 0 H ARG A 93 -12.207 -7.293 7.120 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.376 -7.133 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.269 -5.033 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.292 -5.002 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.161 -7.069 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.041 -5.776 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.073 -6.776 11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.933 -8.144 10.207 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.403 -7.709 11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.634 -9.037 11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.157 -9.986 13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.809 -8.859 13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.992 -9.885 14.150 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.462 -5.114 6.262 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.169 -4.031 5.618 1.00 0.00 C ATOM 1464 C GLY A 94 -14.464 -2.710 5.845 1.00 0.00 C ATOM 1465 O GLY A 94 -14.629 -1.770 5.081 1.00 0.00 O ATOM 0 H GLY A 94 -13.704 -5.518 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.245 -4.227 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.186 -3.975 6.005 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.696 -2.640 6.919 1.00 0.00 N ATOM 1470 CA GLU A 95 -12.977 -1.426 7.294 1.00 0.00 C ATOM 1471 C GLU A 95 -12.028 -0.926 6.196 1.00 0.00 C ATOM 1472 O GLU A 95 -11.788 0.272 6.093 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.192 -1.656 8.583 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.066 -2.018 9.770 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.264 -2.197 11.039 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.588 -1.235 11.455 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.307 -3.301 11.626 1.00 0.00 O ATOM 0 H GLU A 95 -13.551 -3.421 7.558 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.731 -0.653 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.467 -2.453 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.627 -0.755 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.812 -1.237 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.608 -2.938 9.552 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.471 -1.835 5.402 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.524 -1.450 4.352 1.00 0.00 C ATOM 1486 C LEU A 96 -11.253 -0.691 3.265 1.00 0.00 C ATOM 1487 O LEU A 96 -10.998 0.481 3.030 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.839 -2.682 3.759 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.775 -2.394 2.699 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.638 -1.577 3.294 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.247 -3.692 2.118 1.00 0.00 C ATOM 0 H LEU A 96 -11.655 -2.837 5.462 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.758 -0.811 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.377 -3.245 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.602 -3.324 3.319 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.232 -1.814 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.890 -1.381 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.028 -0.631 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.181 -2.132 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.490 -3.472 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.804 -4.293 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.066 -4.245 1.659 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.276 -1.325 2.741 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.198 -0.689 1.818 1.00 0.00 C ATOM 1505 C GLN A 97 -13.854 0.556 2.423 1.00 0.00 C ATOM 1506 O GLN A 97 -14.209 1.473 1.696 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.215 -1.712 1.318 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.755 -2.654 2.381 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.625 -3.758 1.812 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.655 -3.501 1.196 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.216 -5.002 2.017 1.00 0.00 N ATOM 0 H GLN A 97 -12.496 -2.301 2.941 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.636 -0.327 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.052 -1.179 0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.753 -2.305 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.920 -3.100 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.333 -2.081 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.354 -5.177 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.763 -5.784 1.658 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.934 0.620 3.749 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.452 1.805 4.435 1.00 0.00 C ATOM 1522 C GLN A 98 -13.480 2.980 4.341 1.00 0.00 C ATOM 1523 O GLN A 98 -13.842 4.056 3.867 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.740 1.491 5.909 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.955 0.603 6.139 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.275 1.250 5.745 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -18.321 0.604 5.791 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.253 2.528 5.393 1.00 0.00 N ATOM 0 H GLN A 98 -13.647 -0.134 4.373 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.379 2.088 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.865 1.007 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.884 2.429 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.831 -0.320 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -15.997 0.327 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -16.368 3.034 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.121 3.005 5.150 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.251 2.772 4.802 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.242 3.823 4.774 1.00 0.00 C ATOM 1539 C LEU A 99 -10.772 4.120 3.348 1.00 0.00 C ATOM 1540 O LEU A 99 -10.594 5.286 2.981 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.089 3.522 5.752 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.486 2.113 5.719 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.685 1.867 4.459 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -8.622 1.879 6.947 1.00 0.00 C ATOM 0 H LEU A 99 -11.931 1.888 5.198 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.704 4.744 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.288 4.236 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.447 3.711 6.764 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.314 1.405 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.277 0.857 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.332 1.980 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.869 2.587 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.201 0.874 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.814 2.611 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.230 1.984 7.845 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.711 3.084 2.513 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.432 3.266 1.093 1.00 0.00 C ATOM 1558 C ILE A 100 -11.533 4.108 0.455 1.00 0.00 C ATOM 1559 O ILE A 100 -11.249 4.975 -0.353 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.315 1.918 0.324 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.116 1.086 0.815 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.203 2.163 -1.180 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.763 1.723 0.565 1.00 0.00 C ATOM 0 H ILE A 100 -10.851 2.114 2.796 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.469 3.771 1.022 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.223 1.350 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.227 0.908 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.141 0.112 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.122 1.208 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.090 2.692 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.317 2.764 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.977 1.069 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.625 1.876 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.713 2.683 1.078 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.786 3.827 0.819 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.941 4.532 0.263 1.00 0.00 C ATOM 1577 C LYS A 101 -13.798 6.043 0.377 1.00 0.00 C ATOM 1578 O LYS A 101 -13.896 6.768 -0.611 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.207 4.110 1.013 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.442 4.851 0.557 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.665 4.529 1.398 1.00 0.00 C ATOM 1582 CE LYS A 101 -18.006 3.052 1.367 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.286 2.776 2.071 1.00 0.00 N ATOM 0 H LYS A 101 -13.027 3.109 1.503 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.004 4.269 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.362 3.040 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.063 4.279 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.252 5.924 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.646 4.601 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.488 4.838 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.516 5.105 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.078 2.715 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.202 2.482 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.383 1.752 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.291 3.267 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.081 3.115 1.492 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.609 6.504 1.598 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.506 7.926 1.876 1.00 0.00 C ATOM 1599 C GLU A 102 -12.345 8.539 1.106 1.00 0.00 C ATOM 1600 O GLU A 102 -12.468 9.605 0.506 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.318 8.125 3.380 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.204 9.574 3.814 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.045 9.704 5.311 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -12.062 9.166 5.861 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.915 10.324 5.956 1.00 0.00 O ATOM 0 H GLU A 102 -13.523 5.909 2.422 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.420 8.426 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.159 7.668 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.420 7.593 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.351 10.036 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.092 10.119 3.495 1.00 0.00 H new ATOM 1612 N THR A 103 -11.218 7.854 1.153 1.00 0.00 N ATOM 1613 CA THR A 103 -10.006 8.303 0.500 1.00 0.00 C ATOM 1614 C THR A 103 -10.133 8.305 -1.024 1.00 0.00 C ATOM 1615 O THR A 103 -9.780 9.274 -1.690 1.00 0.00 O ATOM 1616 CB THR A 103 -8.844 7.392 0.914 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.733 7.373 2.344 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.543 7.857 0.302 1.00 0.00 C ATOM 0 H THR A 103 -11.119 6.967 1.647 1.00 0.00 H new ATOM 0 HA THR A 103 -9.821 9.330 0.814 1.00 0.00 H new ATOM 0 HB THR A 103 -9.049 6.385 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.332 6.689 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.737 7.193 0.613 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.627 7.843 -0.785 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.326 8.872 0.636 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.571 7.191 -1.565 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.664 7.010 -3.003 1.00 0.00 C ATOM 1628 C ALA A 104 -11.606 8.014 -3.639 1.00 0.00 C ATOM 1629 O ALA A 104 -11.261 8.660 -4.630 1.00 0.00 O ATOM 1630 CB ALA A 104 -11.154 5.612 -3.285 1.00 0.00 C ATOM 0 H ALA A 104 -10.874 6.382 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.675 7.167 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.228 5.463 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.454 4.890 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.135 5.472 -2.831 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.809 8.096 -3.093 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.845 8.960 -3.634 1.00 0.00 C ATOM 1638 C ALA A 105 -13.412 10.423 -3.630 1.00 0.00 C ATOM 1639 O ALA A 105 -13.784 11.193 -4.515 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.142 8.783 -2.866 1.00 0.00 C ATOM 0 H ALA A 105 -13.093 7.569 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.012 8.668 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.906 9.438 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.471 7.747 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.982 9.037 -1.818 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.646 10.824 -2.625 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.203 12.204 -2.556 1.00 0.00 C ATOM 1648 C LYS A 106 -11.050 12.459 -3.525 1.00 0.00 C ATOM 1649 O LYS A 106 -10.873 13.585 -3.989 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.886 12.647 -1.113 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.747 11.918 -0.418 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.351 12.366 -0.857 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.046 13.830 -0.521 1.00 0.00 C ATOM 1654 NZ LYS A 106 -9.829 14.798 -1.345 1.00 0.00 N ATOM 0 H LYS A 106 -12.325 10.226 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.033 12.834 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.653 13.712 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.787 12.525 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.841 12.064 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.848 10.849 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.607 11.729 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.253 12.220 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.258 14.006 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.982 14.016 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.259 15.652 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.073 14.361 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.701 15.057 -0.841 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.283 11.418 -3.867 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.198 11.595 -4.829 1.00 0.00 C ATOM 1670 C TYR A 107 -9.686 11.480 -6.274 1.00 0.00 C ATOM 1671 O TYR A 107 -9.611 12.461 -7.014 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.028 10.641 -4.566 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.199 11.022 -3.357 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.430 12.177 -3.375 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.166 10.233 -2.210 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.664 12.539 -2.288 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.403 10.589 -1.126 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.654 11.745 -1.165 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.898 12.110 -0.076 1.00 0.00 O ATOM 0 H TYR A 107 -10.390 10.471 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.828 12.610 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.416 9.632 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.384 10.617 -5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.432 12.803 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.751 9.326 -2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.074 13.443 -2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.390 9.965 -0.245 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.831 13.087 -0.037 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.453 10.435 -6.581 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.228 10.453 -7.813 1.00 0.00 C ATOM 1691 C LYS A 108 -12.658 10.759 -7.456 1.00 0.00 C ATOM 1692 O LYS A 108 -13.296 9.959 -6.778 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.163 9.154 -8.624 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.820 8.869 -9.288 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.754 8.480 -8.289 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.245 7.331 -7.441 1.00 0.00 C ATOM 1697 NZ LYS A 108 -8.177 6.756 -6.589 1.00 0.00 N ATOM 0 H LYS A 108 -10.552 9.593 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.792 11.216 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.409 8.321 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.932 9.188 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.941 8.067 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.494 9.753 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.840 8.195 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.507 9.332 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.064 7.674 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.647 6.552 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.607 6.226 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.586 6.116 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.587 7.523 -6.207 1.00 0.00 H new ATOM 1711 N SER A 109 -13.116 11.955 -7.787 1.00 0.00 N ATOM 1712 CA SER A 109 -14.426 12.400 -7.347 1.00 0.00 C ATOM 1713 C SER A 109 -15.493 11.391 -7.727 1.00 0.00 C ATOM 1714 O SER A 109 -15.695 11.082 -8.902 1.00 0.00 O ATOM 1715 CB SER A 109 -14.758 13.765 -7.936 1.00 0.00 C ATOM 1716 OG SER A 109 -13.771 14.726 -7.585 1.00 0.00 O ATOM 0 H SER A 109 -12.604 12.630 -8.355 1.00 0.00 H new ATOM 0 HA SER A 109 -14.404 12.487 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.827 13.689 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.733 14.093 -7.576 1.00 0.00 H new ATOM 0 HG SER A 109 -14.005 15.593 -7.976 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.192 10.935 -6.704 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.295 10.003 -6.833 1.00 0.00 C ATOM 1724 C GLU A 110 -16.971 8.781 -7.694 1.00 0.00 C ATOM 1725 O GLU A 110 -17.879 8.191 -8.283 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.508 10.751 -7.362 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.958 11.837 -6.404 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.517 11.275 -5.110 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -19.665 10.040 -5.004 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -19.833 12.067 -4.198 1.00 0.00 O ATOM 0 H GLU A 110 -16.004 11.209 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.505 9.598 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.269 11.194 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.325 10.049 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.115 12.490 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.717 12.452 -6.887 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.749 8.255 -7.566 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.461 6.958 -8.119 1.00 0.00 C ATOM 1739 C GLU A 111 -16.052 5.911 -7.183 1.00 0.00 C ATOM 1740 O GLU A 111 -15.943 6.054 -5.968 1.00 0.00 O ATOM 1741 CB GLU A 111 -13.952 6.729 -8.294 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.693 5.427 -8.999 1.00 0.00 C ATOM 1743 CD GLU A 111 -12.252 5.216 -9.406 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -11.666 6.140 -10.012 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -11.739 4.093 -9.216 1.00 0.00 O ATOM 0 H GLU A 111 -14.968 8.708 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.904 6.885 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.518 7.550 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.464 6.724 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.998 4.608 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.321 5.378 -9.889 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.767 4.905 -7.706 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.444 3.920 -6.864 1.00 0.00 C ATOM 1754 C PRO A 112 -16.473 3.116 -6.003 1.00 0.00 C ATOM 1755 O PRO A 112 -15.477 2.583 -6.501 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.160 3.009 -7.867 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.261 3.814 -9.117 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.049 4.701 -9.133 1.00 0.00 C ATOM 0 HA PRO A 112 -18.118 4.397 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -17.600 2.089 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.146 2.720 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.285 3.170 -9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.177 4.404 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.211 4.229 -9.646 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.246 5.644 -9.644 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.751 3.072 -4.706 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.904 2.392 -3.753 1.00 0.00 C ATOM 1768 C ASP A 113 -16.472 1.013 -3.455 1.00 0.00 C ATOM 1769 O ASP A 113 -16.800 0.245 -4.360 1.00 0.00 O ATOM 1770 CB ASP A 113 -15.828 3.216 -2.465 1.00 0.00 C ATOM 1771 CG ASP A 113 -15.515 4.676 -2.720 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -14.414 4.972 -3.208 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -16.394 5.524 -2.439 1.00 0.00 O ATOM 0 H ASP A 113 -17.574 3.510 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.903 2.280 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.777 3.140 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.063 2.794 -1.813 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.603 0.723 -2.175 1.00 0.00 N ATOM 1779 CA ALA A 114 -17.150 -0.543 -1.713 1.00 0.00 C ATOM 1780 C ALA A 114 -18.671 -0.542 -1.725 1.00 0.00 C ATOM 1781 O ALA A 114 -19.303 -1.548 -2.055 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.662 -0.825 -0.308 1.00 0.00 C ATOM 0 H ALA A 114 -16.334 1.358 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.808 -1.320 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.073 -1.774 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.573 -0.879 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.988 -0.026 0.358 1.00 0.00 H new ATOM 1788 N GLU A 115 -19.237 0.532 -1.196 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.667 0.623 -0.950 1.00 0.00 C ATOM 1790 C GLU A 115 -21.037 2.091 -0.778 1.00 0.00 C ATOM 1791 O GLU A 115 -20.110 2.925 -0.785 1.00 0.00 O ATOM 1792 CB GLU A 115 -21.004 -0.186 0.319 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.476 -0.215 0.719 1.00 0.00 C ATOM 1794 CD GLU A 115 -23.373 -0.904 -0.290 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -22.883 -1.323 -1.358 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -24.583 -1.041 -0.009 1.00 0.00 O ATOM 1797 OXT GLU A 115 -22.232 2.412 -0.631 1.00 0.00 O ATOM 0 H GLU A 115 -18.716 1.366 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 115 -21.236 0.213 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.667 -1.212 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.429 0.223 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.571 -0.720 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -22.824 0.808 0.861 1.00 0.00 H new TER 1804 GLU A 115