USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0.976 K(o=0.98,f=-8.3!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 12 SER OG : rot -80:sc= 1.14 USER MOD Set 3.2: A 40 SER OG : rot -98:sc= 1.49 USER MOD Set 4.1: A 11 ASN : amide:sc= -1.92! C(o=-0.61!,f=-2.7!) USER MOD Set 4.2: A 34 SER OG : rot -126:sc= 0.465 USER MOD Set 4.3: A 62 SER OG : rot 173:sc= 0.848 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= 2.45 (180deg=2.33) USER MOD Single : A 3 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.12) USER MOD Single : A 5 MET CE :methyl -172:sc= -2.19 (180deg=-2.46!) USER MOD Single : A 8 SER OG : rot 130:sc= -0.0753 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 170:sc= -0.211 USER MOD Single : A 15 SER OG : rot 171:sc= 1.14 USER MOD Single : A 16 GLN : amide:sc= 0.723 K(o=0.72,f=-3.6!) USER MOD Single : A 17 MET CE :methyl -161:sc= -0.326 (180deg=-0.338) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.686 USER MOD Single : A 35 SER OG : rot 172:sc= -0.131 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00182 USER MOD Single : A 49 MET CE :methyl 172:sc= -0.565 (180deg=-0.757) USER MOD Single : A 50 MET CE :methyl -152:sc= -0.919 (180deg=-3.65!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.004) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.0396 X(o=-0.04,f=-0.19) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 49:sc= 1.21 USER MOD Single : A 85 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.3) USER MOD Single : A 100 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.059) USER MOD Single : A 107 GLN : amide:sc= 0.629 K(o=0.63,f=-0.62) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.28) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 76:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.987 -0.282 0.376 1.00 0.00 N ATOM 2 CA MET A 1 1.783 -0.331 -0.897 1.00 0.00 C ATOM 3 C MET A 1 2.070 -1.786 -1.318 1.00 0.00 C ATOM 4 O MET A 1 2.555 -2.567 -0.508 1.00 0.00 O ATOM 5 CB MET A 1 3.108 0.473 -0.768 1.00 0.00 C ATOM 6 CG MET A 1 3.830 0.714 -2.101 1.00 0.00 C ATOM 7 SD MET A 1 5.469 1.475 -1.924 1.00 0.00 S ATOM 8 CE MET A 1 5.034 3.182 -1.476 1.00 0.00 C ATOM 0 H1 MET A 1 0.808 0.709 0.636 1.00 0.00 H new ATOM 0 H2 MET A 1 0.080 -0.772 0.238 1.00 0.00 H new ATOM 0 H3 MET A 1 1.520 -0.749 1.137 1.00 0.00 H new ATOM 0 HA MET A 1 1.181 0.136 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.892 1.436 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.780 -0.060 -0.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.937 -0.237 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.209 1.354 -2.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.944 3.765 -1.336 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.437 3.626 -2.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.459 3.180 -0.550 1.00 0.00 H new ATOM 20 N LYS A 2 1.842 -2.145 -2.594 1.00 0.00 N ATOM 21 CA LYS A 2 2.172 -3.478 -3.159 1.00 0.00 C ATOM 22 C LYS A 2 3.595 -3.479 -3.739 1.00 0.00 C ATOM 23 O LYS A 2 3.789 -3.112 -4.892 1.00 0.00 O ATOM 24 CB LYS A 2 1.114 -3.866 -4.227 1.00 0.00 C ATOM 25 CG LYS A 2 -0.353 -3.809 -3.765 1.00 0.00 C ATOM 26 CD LYS A 2 -0.741 -4.814 -2.668 1.00 0.00 C ATOM 27 CE LYS A 2 -0.815 -6.250 -3.203 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.196 -7.201 -2.126 1.00 0.00 N ATOM 0 H LYS A 2 1.419 -1.514 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 2 2.146 -4.226 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.231 -3.204 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.328 -4.877 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.563 -2.803 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.995 -3.976 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.013 -4.766 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.706 -4.535 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.542 -6.303 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.150 -6.536 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.502 -8.100 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.378 -7.370 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.975 -6.799 -1.567 1.00 0.00 H new ATOM 42 N LYS A 3 4.606 -3.822 -2.934 1.00 0.00 N ATOM 43 CA LYS A 3 6.026 -3.754 -3.352 1.00 0.00 C ATOM 44 C LYS A 3 6.444 -4.970 -4.184 1.00 0.00 C ATOM 45 O LYS A 3 5.948 -6.078 -3.972 1.00 0.00 O ATOM 46 CB LYS A 3 6.963 -3.549 -2.149 1.00 0.00 C ATOM 47 CG LYS A 3 6.568 -2.344 -1.289 1.00 0.00 C ATOM 48 CD LYS A 3 7.570 -2.112 -0.155 1.00 0.00 C ATOM 49 CE LYS A 3 6.993 -1.073 0.817 1.00 0.00 C ATOM 50 NZ LYS A 3 7.915 -0.834 1.960 1.00 0.00 N ATOM 0 H LYS A 3 4.473 -4.154 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 3 6.120 -2.880 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.957 -4.448 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.984 -3.415 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.511 -1.453 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.574 -2.504 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.769 -3.047 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.521 -1.763 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.815 -0.137 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.028 -1.417 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.380 -0.443 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.357 -1.732 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.653 -0.159 1.675 1.00 0.00 H new ATOM 64 N VAL A 4 7.390 -4.759 -5.100 1.00 0.00 N ATOM 65 CA VAL A 4 7.897 -5.785 -6.038 1.00 0.00 C ATOM 66 C VAL A 4 9.368 -6.097 -5.770 1.00 0.00 C ATOM 67 O VAL A 4 10.139 -5.178 -5.511 1.00 0.00 O ATOM 68 CB VAL A 4 7.715 -5.338 -7.504 1.00 0.00 C ATOM 69 CG1 VAL A 4 8.140 -6.427 -8.496 1.00 0.00 C ATOM 70 CG2 VAL A 4 6.266 -4.964 -7.825 1.00 0.00 C ATOM 0 H VAL A 4 7.841 -3.852 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 4 7.313 -6.691 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 4 8.355 -4.462 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.994 -6.068 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.192 -6.668 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.536 -7.320 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.192 -4.657 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.621 -5.826 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.951 -4.142 -7.182 1.00 0.00 H new ATOM 80 N MET A 5 9.774 -7.359 -5.918 1.00 0.00 N ATOM 81 CA MET A 5 11.183 -7.782 -5.908 1.00 0.00 C ATOM 82 C MET A 5 11.496 -8.683 -7.111 1.00 0.00 C ATOM 83 O MET A 5 10.900 -9.747 -7.253 1.00 0.00 O ATOM 84 CB MET A 5 11.528 -8.507 -4.588 1.00 0.00 C ATOM 85 CG MET A 5 13.008 -8.940 -4.554 1.00 0.00 C ATOM 86 SD MET A 5 14.158 -7.556 -4.708 1.00 0.00 S ATOM 87 CE MET A 5 14.357 -7.078 -2.973 1.00 0.00 C ATOM 0 H MET A 5 9.124 -8.133 -6.051 1.00 0.00 H new ATOM 0 HA MET A 5 11.801 -6.887 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.321 -7.849 -3.744 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.889 -9.382 -4.474 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.205 -9.465 -3.619 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.191 -9.648 -5.362 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.925 -6.150 -2.914 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.376 -6.933 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.890 -7.864 -2.438 1.00 0.00 H new ATOM 97 N PHE A 6 12.468 -8.312 -7.945 1.00 0.00 N ATOM 98 CA PHE A 6 13.013 -9.194 -8.993 1.00 0.00 C ATOM 99 C PHE A 6 14.243 -9.950 -8.476 1.00 0.00 C ATOM 100 O PHE A 6 15.075 -9.369 -7.785 1.00 0.00 O ATOM 101 CB PHE A 6 13.316 -8.411 -10.281 1.00 0.00 C ATOM 102 CG PHE A 6 12.203 -7.485 -10.722 1.00 0.00 C ATOM 103 CD1 PHE A 6 11.123 -7.937 -11.505 1.00 0.00 C ATOM 104 CD2 PHE A 6 12.226 -6.157 -10.274 1.00 0.00 C ATOM 105 CE1 PHE A 6 10.043 -7.082 -11.762 1.00 0.00 C ATOM 106 CE2 PHE A 6 11.143 -5.305 -10.522 1.00 0.00 C ATOM 107 CZ PHE A 6 10.039 -5.772 -11.258 1.00 0.00 C ATOM 0 H PHE A 6 12.905 -7.391 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 6 12.254 -9.935 -9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.223 -7.825 -10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.523 -9.119 -11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.127 -8.940 -11.906 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.085 -5.788 -9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.209 -7.433 -12.351 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.155 -4.292 -10.149 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.192 -5.125 -11.435 1.00 0.00 H new ATOM 117 N VAL A 7 14.369 -11.239 -8.802 1.00 0.00 N ATOM 118 CA VAL A 7 15.379 -12.156 -8.246 1.00 0.00 C ATOM 119 C VAL A 7 16.024 -12.979 -9.363 1.00 0.00 C ATOM 120 O VAL A 7 15.320 -13.592 -10.164 1.00 0.00 O ATOM 121 CB VAL A 7 14.760 -13.087 -7.173 1.00 0.00 C ATOM 122 CG1 VAL A 7 15.853 -13.821 -6.385 1.00 0.00 C ATOM 123 CG2 VAL A 7 13.912 -12.330 -6.143 1.00 0.00 C ATOM 0 H VAL A 7 13.755 -11.691 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 7 16.150 -11.556 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 7 14.130 -13.782 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.391 -14.468 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.451 -14.424 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.494 -13.093 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.505 -13.035 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.533 -11.598 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.094 -11.819 -6.650 1.00 0.00 H new ATOM 133 N SER A 8 17.360 -13.037 -9.401 1.00 0.00 N ATOM 134 CA SER A 8 18.113 -13.961 -10.283 1.00 0.00 C ATOM 135 C SER A 8 19.479 -14.343 -9.704 1.00 0.00 C ATOM 136 O SER A 8 19.730 -14.069 -8.537 1.00 0.00 O ATOM 137 CB SER A 8 18.274 -13.355 -11.676 1.00 0.00 C ATOM 138 OG SER A 8 18.403 -14.465 -12.544 1.00 0.00 O ATOM 0 H SER A 8 17.959 -12.447 -8.823 1.00 0.00 H new ATOM 0 HA SER A 8 17.530 -14.879 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.412 -12.743 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.151 -12.710 -11.727 1.00 0.00 H new ATOM 0 HG SER A 8 17.780 -14.368 -13.294 1.00 0.00 H new ATOM 144 N LYS A 9 20.392 -14.929 -10.498 1.00 0.00 N ATOM 145 CA LYS A 9 21.800 -15.153 -10.088 1.00 0.00 C ATOM 146 C LYS A 9 22.518 -13.822 -9.834 1.00 0.00 C ATOM 147 O LYS A 9 22.742 -13.471 -8.683 1.00 0.00 O ATOM 148 CB LYS A 9 22.520 -16.099 -11.072 1.00 0.00 C ATOM 149 CG LYS A 9 23.891 -16.533 -10.518 1.00 0.00 C ATOM 150 CD LYS A 9 24.742 -17.349 -11.502 1.00 0.00 C ATOM 151 CE LYS A 9 24.084 -18.674 -11.926 1.00 0.00 C ATOM 152 NZ LYS A 9 25.006 -19.499 -12.762 1.00 0.00 N ATOM 0 H LYS A 9 20.182 -15.261 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 9 21.818 -15.673 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.902 -16.979 -11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.653 -15.599 -12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.449 -15.644 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.734 -17.123 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.935 -16.747 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.709 -17.562 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.793 -19.237 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.172 -18.466 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.532 -20.385 -13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.264 -18.970 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.865 -19.717 -12.219 1.00 0.00 H new ATOM 166 N ARG A 10 22.804 -13.041 -10.879 1.00 0.00 N ATOM 167 CA ARG A 10 23.285 -11.653 -10.727 1.00 0.00 C ATOM 168 C ARG A 10 22.116 -10.729 -10.422 1.00 0.00 C ATOM 169 O ARG A 10 21.155 -10.671 -11.182 1.00 0.00 O ATOM 170 CB ARG A 10 24.017 -11.162 -11.997 1.00 0.00 C ATOM 171 CG ARG A 10 25.489 -11.611 -12.038 1.00 0.00 C ATOM 172 CD ARG A 10 26.261 -10.871 -13.148 1.00 0.00 C ATOM 173 NE ARG A 10 27.526 -11.534 -13.530 1.00 0.00 N ATOM 174 CZ ARG A 10 28.669 -11.627 -12.879 1.00 0.00 C ATOM 175 NH1 ARG A 10 28.830 -11.252 -11.644 1.00 0.00 N ATOM 176 NH2 ARG A 10 29.691 -12.123 -13.505 1.00 0.00 N ATOM 0 H ARG A 10 22.712 -13.343 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 10 23.994 -11.636 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.500 -11.540 -12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.971 -10.074 -12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.959 -11.419 -11.073 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.540 -12.686 -12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.624 -10.787 -14.028 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.478 -9.856 -12.814 1.00 0.00 H new ATOM 0 HE ARG A 10 27.513 -11.992 -14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.045 -10.860 -11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.741 -11.350 -11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.597 -12.428 -14.474 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.589 -12.208 -13.029 1.00 0.00 H new ATOM 190 N ASN A 11 22.242 -9.945 -9.355 1.00 0.00 N ATOM 191 CA ASN A 11 21.319 -8.843 -9.079 1.00 0.00 C ATOM 192 C ASN A 11 21.401 -7.845 -10.247 1.00 0.00 C ATOM 193 O ASN A 11 20.388 -7.410 -10.781 1.00 0.00 O ATOM 194 CB ASN A 11 21.733 -8.205 -7.734 1.00 0.00 C ATOM 195 CG ASN A 11 20.894 -6.988 -7.368 1.00 0.00 C ATOM 196 OD1 ASN A 11 20.784 -6.020 -8.101 1.00 0.00 O ATOM 197 ND2 ASN A 11 20.239 -7.002 -6.238 1.00 0.00 N ATOM 0 H ASN A 11 22.981 -10.053 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 11 20.285 -9.178 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.646 -8.950 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.782 -7.914 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.648 -6.212 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.319 -7.803 -5.612 1.00 0.00 H new ATOM 204 N SER A 12 22.623 -7.558 -10.699 1.00 0.00 N ATOM 205 CA SER A 12 22.898 -6.473 -11.655 1.00 0.00 C ATOM 206 C SER A 12 22.487 -6.711 -13.114 1.00 0.00 C ATOM 207 O SER A 12 21.861 -5.854 -13.732 1.00 0.00 O ATOM 208 CB SER A 12 24.373 -6.127 -11.606 1.00 0.00 C ATOM 209 OG SER A 12 25.122 -7.248 -12.050 1.00 0.00 O ATOM 0 H SER A 12 23.457 -8.072 -10.413 1.00 0.00 H new ATOM 0 HA SER A 12 22.259 -5.655 -11.323 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.579 -5.262 -12.237 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.664 -5.857 -10.591 1.00 0.00 H new ATOM 0 HG SER A 12 25.210 -7.893 -11.318 1.00 0.00 H new ATOM 215 N SER A 13 22.831 -7.862 -13.700 1.00 0.00 N ATOM 216 CA SER A 13 22.603 -8.115 -15.136 1.00 0.00 C ATOM 217 C SER A 13 21.184 -8.596 -15.459 1.00 0.00 C ATOM 218 O SER A 13 20.807 -8.642 -16.623 1.00 0.00 O ATOM 219 CB SER A 13 23.649 -9.097 -15.657 1.00 0.00 C ATOM 220 OG SER A 13 23.414 -10.335 -15.023 1.00 0.00 O ATOM 0 H SER A 13 23.270 -8.638 -13.205 1.00 0.00 H new ATOM 0 HA SER A 13 22.708 -7.159 -15.648 1.00 0.00 H new ATOM 0 HB2 SER A 13 23.575 -9.199 -16.740 1.00 0.00 H new ATOM 0 HB3 SER A 13 24.655 -8.738 -15.439 1.00 0.00 H new ATOM 0 HG SER A 13 23.959 -11.029 -15.449 1.00 0.00 H new ATOM 226 N ARG A 14 20.386 -8.957 -14.441 1.00 0.00 N ATOM 227 CA ARG A 14 19.019 -9.511 -14.593 1.00 0.00 C ATOM 228 C ARG A 14 17.992 -8.723 -13.770 1.00 0.00 C ATOM 229 O ARG A 14 17.178 -8.001 -14.334 1.00 0.00 O ATOM 230 CB ARG A 14 19.050 -11.031 -14.299 1.00 0.00 C ATOM 231 CG ARG A 14 20.022 -11.788 -15.232 1.00 0.00 C ATOM 232 CD ARG A 14 20.160 -13.289 -14.937 1.00 0.00 C ATOM 233 NE ARG A 14 19.042 -14.079 -15.513 1.00 0.00 N ATOM 234 CZ ARG A 14 18.999 -15.394 -15.668 1.00 0.00 C ATOM 235 NH1 ARG A 14 19.894 -16.177 -15.156 1.00 0.00 N ATOM 236 NH2 ARG A 14 18.021 -15.952 -16.303 1.00 0.00 N ATOM 0 H ARG A 14 20.674 -8.872 -13.466 1.00 0.00 H new ATOM 0 HA ARG A 14 18.681 -9.394 -15.623 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.345 -11.193 -13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.047 -11.442 -14.413 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.686 -11.664 -16.261 1.00 0.00 H new ATOM 0 HG3 ARG A 14 21.007 -11.326 -15.160 1.00 0.00 H new ATOM 0 HD2 ARG A 14 21.105 -13.652 -15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 14 20.194 -13.444 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 14 18.223 -13.555 -15.821 1.00 0.00 H new ATOM 0 HH11 ARG A 14 20.664 -15.786 -14.613 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.829 -17.185 -15.296 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.272 -15.379 -16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.999 -16.965 -16.416 1.00 0.00 H new ATOM 250 N SER A 15 18.058 -8.774 -12.442 1.00 0.00 N ATOM 251 CA SER A 15 17.067 -8.131 -11.552 1.00 0.00 C ATOM 252 C SER A 15 17.031 -6.605 -11.654 1.00 0.00 C ATOM 253 O SER A 15 15.965 -6.033 -11.840 1.00 0.00 O ATOM 254 CB SER A 15 17.305 -8.592 -10.122 1.00 0.00 C ATOM 255 OG SER A 15 17.218 -9.999 -10.073 1.00 0.00 O ATOM 0 H SER A 15 18.800 -9.262 -11.941 1.00 0.00 H new ATOM 0 HA SER A 15 16.080 -8.450 -11.886 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.286 -8.263 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.568 -8.146 -9.455 1.00 0.00 H new ATOM 0 HG SER A 15 17.512 -10.314 -9.193 1.00 0.00 H new ATOM 261 N GLN A 16 18.186 -5.941 -11.680 1.00 0.00 N ATOM 262 CA GLN A 16 18.324 -4.510 -11.977 1.00 0.00 C ATOM 263 C GLN A 16 17.754 -4.104 -13.339 1.00 0.00 C ATOM 264 O GLN A 16 17.238 -2.997 -13.464 1.00 0.00 O ATOM 265 CB GLN A 16 19.804 -4.137 -11.901 1.00 0.00 C ATOM 266 CG GLN A 16 20.161 -3.399 -10.609 1.00 0.00 C ATOM 267 CD GLN A 16 21.622 -2.967 -10.552 1.00 0.00 C ATOM 268 OE1 GLN A 16 22.423 -3.169 -11.452 1.00 0.00 O ATOM 269 NE2 GLN A 16 22.013 -2.325 -9.483 1.00 0.00 N ATOM 0 H GLN A 16 19.080 -6.395 -11.490 1.00 0.00 H new ATOM 0 HA GLN A 16 17.739 -3.968 -11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.407 -5.042 -11.976 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.061 -3.511 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.524 -2.520 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.945 -4.044 -9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.354 -2.150 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.977 -1.999 -9.408 1.00 0.00 H new ATOM 278 N MET A 17 17.774 -4.989 -14.342 1.00 0.00 N ATOM 279 CA MET A 17 17.189 -4.688 -15.653 1.00 0.00 C ATOM 280 C MET A 17 15.664 -4.582 -15.560 1.00 0.00 C ATOM 281 O MET A 17 15.088 -3.563 -15.935 1.00 0.00 O ATOM 282 CB MET A 17 17.651 -5.703 -16.719 1.00 0.00 C ATOM 283 CG MET A 17 19.174 -5.610 -16.924 1.00 0.00 C ATOM 284 SD MET A 17 19.739 -5.498 -18.645 1.00 0.00 S ATOM 285 CE MET A 17 19.155 -7.067 -19.327 1.00 0.00 C ATOM 0 H MET A 17 18.188 -5.918 -14.271 1.00 0.00 H new ATOM 0 HA MET A 17 17.554 -3.713 -15.977 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.380 -6.713 -16.410 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.138 -5.509 -17.661 1.00 0.00 H new ATOM 0 HG2 MET A 17 19.541 -4.737 -16.384 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.636 -6.485 -16.467 1.00 0.00 H new ATOM 0 HE1 MET A 17 19.701 -7.291 -20.243 1.00 0.00 H new ATOM 0 HE2 MET A 17 19.321 -7.863 -18.602 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.090 -6.994 -19.548 1.00 0.00 H new ATOM 295 N ALA A 18 15.012 -5.565 -14.938 1.00 0.00 N ATOM 296 CA ALA A 18 13.580 -5.484 -14.645 1.00 0.00 C ATOM 297 C ALA A 18 13.247 -4.395 -13.616 1.00 0.00 C ATOM 298 O ALA A 18 12.187 -3.790 -13.713 1.00 0.00 O ATOM 299 CB ALA A 18 13.107 -6.856 -14.162 1.00 0.00 C ATOM 0 H ALA A 18 15.454 -6.430 -14.626 1.00 0.00 H new ATOM 0 HA ALA A 18 13.055 -5.202 -15.558 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.041 -6.815 -13.938 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.287 -7.598 -14.940 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.656 -7.134 -13.262 1.00 0.00 H new ATOM 305 N GLU A 19 14.144 -4.072 -12.681 1.00 0.00 N ATOM 306 CA GLU A 19 13.882 -3.046 -11.665 1.00 0.00 C ATOM 307 C GLU A 19 13.891 -1.680 -12.320 1.00 0.00 C ATOM 308 O GLU A 19 12.987 -0.897 -12.086 1.00 0.00 O ATOM 309 CB GLU A 19 14.937 -3.124 -10.557 1.00 0.00 C ATOM 310 CG GLU A 19 14.854 -2.002 -9.506 1.00 0.00 C ATOM 311 CD GLU A 19 16.115 -2.002 -8.634 1.00 0.00 C ATOM 312 OE1 GLU A 19 17.211 -1.845 -9.220 1.00 0.00 O ATOM 313 OE2 GLU A 19 15.996 -2.159 -7.397 1.00 0.00 O ATOM 0 H GLU A 19 15.063 -4.508 -12.605 1.00 0.00 H new ATOM 0 HA GLU A 19 12.904 -3.216 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.841 -4.085 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.926 -3.102 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.745 -1.037 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.971 -2.142 -8.882 1.00 0.00 H new ATOM 320 N GLY A 20 14.859 -1.407 -13.193 1.00 0.00 N ATOM 321 CA GLY A 20 14.938 -0.141 -13.911 1.00 0.00 C ATOM 322 C GLY A 20 13.748 0.065 -14.842 1.00 0.00 C ATOM 323 O GLY A 20 13.166 1.144 -14.842 1.00 0.00 O ATOM 0 H GLY A 20 15.610 -2.059 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.984 0.679 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.861 -0.110 -14.490 1.00 0.00 H new ATOM 327 N PHE A 21 13.301 -0.972 -15.558 1.00 0.00 N ATOM 328 CA PHE A 21 12.031 -0.898 -16.302 1.00 0.00 C ATOM 329 C PHE A 21 10.836 -0.691 -15.365 1.00 0.00 C ATOM 330 O PHE A 21 9.996 0.155 -15.633 1.00 0.00 O ATOM 331 CB PHE A 21 11.844 -2.155 -17.172 1.00 0.00 C ATOM 332 CG PHE A 21 12.436 -2.077 -18.563 1.00 0.00 C ATOM 333 CD1 PHE A 21 11.884 -1.180 -19.496 1.00 0.00 C ATOM 334 CD2 PHE A 21 13.488 -2.924 -18.956 1.00 0.00 C ATOM 335 CE1 PHE A 21 12.402 -1.104 -20.798 1.00 0.00 C ATOM 336 CE2 PHE A 21 14.003 -2.853 -20.260 1.00 0.00 C ATOM 337 CZ PHE A 21 13.465 -1.938 -21.183 1.00 0.00 C ATOM 0 H PHE A 21 13.790 -1.864 -15.640 1.00 0.00 H new ATOM 0 HA PHE A 21 12.078 -0.028 -16.958 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.289 -3.004 -16.653 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.777 -2.359 -17.261 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.058 -0.547 -19.209 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.901 -3.631 -18.252 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.983 -0.403 -21.505 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.814 -3.502 -20.555 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.867 -1.877 -22.183 1.00 0.00 H new ATOM 347 N ALA A 22 10.747 -1.404 -14.239 1.00 0.00 N ATOM 348 CA ALA A 22 9.574 -1.330 -13.360 1.00 0.00 C ATOM 349 C ALA A 22 9.509 0.021 -12.632 1.00 0.00 C ATOM 350 O ALA A 22 8.439 0.583 -12.435 1.00 0.00 O ATOM 351 CB ALA A 22 9.619 -2.541 -12.418 1.00 0.00 C ATOM 0 H ALA A 22 11.474 -2.041 -13.913 1.00 0.00 H new ATOM 0 HA ALA A 22 8.649 -1.377 -13.935 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.758 -2.515 -11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.595 -3.459 -13.005 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.536 -2.510 -11.829 1.00 0.00 H new ATOM 357 N LYS A 23 10.680 0.582 -12.327 1.00 0.00 N ATOM 358 CA LYS A 23 10.885 1.926 -11.789 1.00 0.00 C ATOM 359 C LYS A 23 10.444 2.958 -12.820 1.00 0.00 C ATOM 360 O LYS A 23 9.507 3.704 -12.577 1.00 0.00 O ATOM 361 CB LYS A 23 12.370 2.022 -11.389 1.00 0.00 C ATOM 362 CG LYS A 23 12.723 3.265 -10.579 1.00 0.00 C ATOM 363 CD LYS A 23 14.219 3.207 -10.217 1.00 0.00 C ATOM 364 CE LYS A 23 14.795 4.558 -9.768 1.00 0.00 C ATOM 365 NZ LYS A 23 14.236 5.039 -8.466 1.00 0.00 N ATOM 0 H LYS A 23 11.560 0.082 -12.456 1.00 0.00 H new ATOM 0 HA LYS A 23 10.282 2.129 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.636 1.138 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.979 2.006 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.508 4.165 -11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.116 3.312 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.364 2.477 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.780 2.851 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.878 4.472 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.596 5.303 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.665 5.954 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.206 5.152 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.448 4.346 -7.720 1.00 0.00 H new ATOM 379 N THR A 24 11.003 2.913 -14.027 1.00 0.00 N ATOM 380 CA THR A 24 10.623 3.850 -15.102 1.00 0.00 C ATOM 381 C THR A 24 9.201 3.677 -15.657 1.00 0.00 C ATOM 382 O THR A 24 8.689 4.610 -16.278 1.00 0.00 O ATOM 383 CB THR A 24 11.654 3.861 -16.231 1.00 0.00 C ATOM 384 OG1 THR A 24 11.837 2.578 -16.778 1.00 0.00 O ATOM 385 CG2 THR A 24 12.993 4.373 -15.715 1.00 0.00 C ATOM 0 H THR A 24 11.722 2.240 -14.293 1.00 0.00 H new ATOM 0 HA THR A 24 10.615 4.824 -14.613 1.00 0.00 H new ATOM 0 HB THR A 24 11.275 4.522 -17.011 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.406 2.047 -16.183 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.719 4.376 -16.528 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.872 5.386 -15.332 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.347 3.723 -14.915 1.00 0.00 H new ATOM 393 N LEU A 25 8.524 2.553 -15.381 1.00 0.00 N ATOM 394 CA LEU A 25 7.119 2.318 -15.744 1.00 0.00 C ATOM 395 C LEU A 25 6.129 2.521 -14.573 1.00 0.00 C ATOM 396 O LEU A 25 4.918 2.499 -14.800 1.00 0.00 O ATOM 397 CB LEU A 25 6.977 0.906 -16.359 1.00 0.00 C ATOM 398 CG LEU A 25 7.644 0.735 -17.743 1.00 0.00 C ATOM 399 CD1 LEU A 25 7.813 -0.754 -18.062 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.800 1.366 -18.850 1.00 0.00 C ATOM 0 H LEU A 25 8.947 1.766 -14.889 1.00 0.00 H new ATOM 0 HA LEU A 25 6.847 3.074 -16.481 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.408 0.179 -15.670 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.917 0.669 -16.450 1.00 0.00 H new ATOM 0 HG LEU A 25 8.613 1.232 -17.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.284 -0.866 -19.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.440 -1.220 -17.302 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.836 -1.237 -18.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.297 1.228 -19.810 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.820 0.889 -18.877 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.680 2.431 -18.653 1.00 0.00 H new ATOM 412 N GLY A 26 6.615 2.716 -13.338 1.00 0.00 N ATOM 413 CA GLY A 26 5.795 2.708 -12.113 1.00 0.00 C ATOM 414 C GLY A 26 6.235 3.631 -10.969 1.00 0.00 C ATOM 415 O GLY A 26 5.707 3.515 -9.862 1.00 0.00 O ATOM 0 H GLY A 26 7.604 2.887 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.774 2.974 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.767 1.687 -11.732 1.00 0.00 H new ATOM 419 N ALA A 27 7.187 4.541 -11.196 1.00 0.00 N ATOM 420 CA ALA A 27 7.684 5.475 -10.184 1.00 0.00 C ATOM 421 C ALA A 27 6.549 6.318 -9.566 1.00 0.00 C ATOM 422 O ALA A 27 5.709 6.877 -10.273 1.00 0.00 O ATOM 423 CB ALA A 27 8.769 6.365 -10.810 1.00 0.00 C ATOM 0 H ALA A 27 7.641 4.650 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 27 8.117 4.902 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.144 7.063 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.589 5.742 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.345 6.922 -11.646 1.00 0.00 H new ATOM 429 N GLY A 28 6.514 6.382 -8.231 1.00 0.00 N ATOM 430 CA GLY A 28 5.475 7.080 -7.456 1.00 0.00 C ATOM 431 C GLY A 28 4.148 6.317 -7.287 1.00 0.00 C ATOM 432 O GLY A 28 3.293 6.772 -6.525 1.00 0.00 O ATOM 0 H GLY A 28 7.222 5.941 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.874 7.304 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.266 8.035 -7.939 1.00 0.00 H new ATOM 436 N LYS A 29 3.967 5.156 -7.945 1.00 0.00 N ATOM 437 CA LYS A 29 2.777 4.289 -7.779 1.00 0.00 C ATOM 438 C LYS A 29 2.974 3.336 -6.599 1.00 0.00 C ATOM 439 O LYS A 29 2.249 3.394 -5.607 1.00 0.00 O ATOM 440 CB LYS A 29 2.448 3.522 -9.084 1.00 0.00 C ATOM 441 CG LYS A 29 2.422 4.381 -10.361 1.00 0.00 C ATOM 442 CD LYS A 29 1.537 5.629 -10.265 1.00 0.00 C ATOM 443 CE LYS A 29 0.049 5.276 -10.109 1.00 0.00 C ATOM 444 NZ LYS A 29 -0.811 6.493 -10.053 1.00 0.00 N ATOM 0 H LYS A 29 4.645 4.788 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 29 1.919 4.925 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.183 2.728 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.476 3.041 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.440 4.690 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.074 3.766 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.856 6.234 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.672 6.238 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.264 4.649 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.091 4.691 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.806 6.210 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.530 7.080 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.697 7.039 -10.931 1.00 0.00 H new ATOM 458 N ILE A 30 4.003 2.499 -6.724 1.00 0.00 N ATOM 459 CA ILE A 30 4.506 1.531 -5.727 1.00 0.00 C ATOM 460 C ILE A 30 6.050 1.460 -5.779 1.00 0.00 C ATOM 461 O ILE A 30 6.664 2.026 -6.685 1.00 0.00 O ATOM 462 CB ILE A 30 3.833 0.136 -5.898 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.051 -0.557 -7.265 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.315 0.230 -5.676 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.437 -1.178 -7.475 1.00 0.00 C ATOM 0 H ILE A 30 4.552 2.471 -7.583 1.00 0.00 H new ATOM 0 HA ILE A 30 4.231 1.879 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 30 4.330 -0.474 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.300 -1.339 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.875 0.173 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.867 -0.756 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.117 0.594 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.883 0.919 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.484 -1.637 -8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.199 -0.402 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.615 -1.937 -6.713 1.00 0.00 H new ATOM 477 N ALA A 31 6.689 0.739 -4.848 1.00 0.00 N ATOM 478 CA ALA A 31 8.139 0.531 -4.856 1.00 0.00 C ATOM 479 C ALA A 31 8.534 -0.776 -5.543 1.00 0.00 C ATOM 480 O ALA A 31 8.038 -1.854 -5.209 1.00 0.00 O ATOM 481 CB ALA A 31 8.703 0.563 -3.437 1.00 0.00 C ATOM 0 H ALA A 31 6.213 0.284 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 31 8.568 1.351 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.781 0.406 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.491 1.531 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.240 -0.225 -2.844 1.00 0.00 H new ATOM 487 N VAL A 32 9.483 -0.680 -6.467 1.00 0.00 N ATOM 488 CA VAL A 32 10.144 -1.814 -7.098 1.00 0.00 C ATOM 489 C VAL A 32 11.561 -2.043 -6.556 1.00 0.00 C ATOM 490 O VAL A 32 12.218 -1.102 -6.105 1.00 0.00 O ATOM 491 CB VAL A 32 10.147 -1.607 -8.609 1.00 0.00 C ATOM 492 CG1 VAL A 32 8.730 -1.368 -9.139 1.00 0.00 C ATOM 493 CG2 VAL A 32 11.079 -0.494 -9.099 1.00 0.00 C ATOM 0 H VAL A 32 9.824 0.219 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 32 9.586 -2.719 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 32 10.544 -2.538 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.765 -1.224 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.105 -2.231 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.310 -0.479 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.016 -0.418 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.780 0.454 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.104 -0.725 -8.810 1.00 0.00 H new ATOM 503 N THR A 33 12.033 -3.294 -6.617 1.00 0.00 N ATOM 504 CA THR A 33 13.291 -3.694 -5.966 1.00 0.00 C ATOM 505 C THR A 33 14.008 -4.821 -6.714 1.00 0.00 C ATOM 506 O THR A 33 13.364 -5.699 -7.277 1.00 0.00 O ATOM 507 CB THR A 33 13.056 -4.116 -4.498 1.00 0.00 C ATOM 508 OG1 THR A 33 11.890 -3.556 -3.935 1.00 0.00 O ATOM 509 CG2 THR A 33 14.220 -3.683 -3.607 1.00 0.00 C ATOM 0 H THR A 33 11.562 -4.051 -7.112 1.00 0.00 H new ATOM 0 HA THR A 33 13.934 -2.814 -5.989 1.00 0.00 H new ATOM 0 HB THR A 33 12.957 -5.201 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.100 -3.972 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.027 -3.993 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.141 -4.148 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.323 -2.599 -3.645 1.00 0.00 H new ATOM 517 N SER A 34 15.336 -4.808 -6.708 1.00 0.00 N ATOM 518 CA SER A 34 16.230 -5.832 -7.268 1.00 0.00 C ATOM 519 C SER A 34 16.996 -6.635 -6.198 1.00 0.00 C ATOM 520 O SER A 34 17.621 -6.051 -5.307 1.00 0.00 O ATOM 521 CB SER A 34 17.247 -5.142 -8.172 1.00 0.00 C ATOM 522 OG SER A 34 18.082 -6.129 -8.721 1.00 0.00 O ATOM 0 H SER A 34 15.856 -4.038 -6.288 1.00 0.00 H new ATOM 0 HA SER A 34 15.604 -6.540 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.740 -4.589 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.833 -4.420 -7.604 1.00 0.00 H new ATOM 0 HG SER A 34 19.018 -5.906 -8.535 1.00 0.00 H new ATOM 528 N SER A 35 17.029 -7.968 -6.326 1.00 0.00 N ATOM 529 CA SER A 35 17.760 -8.912 -5.467 1.00 0.00 C ATOM 530 C SER A 35 18.358 -10.051 -6.292 1.00 0.00 C ATOM 531 O SER A 35 18.081 -10.194 -7.482 1.00 0.00 O ATOM 532 CB SER A 35 16.840 -9.429 -4.361 1.00 0.00 C ATOM 533 OG SER A 35 17.514 -10.313 -3.483 1.00 0.00 O ATOM 0 H SER A 35 16.520 -8.443 -7.071 1.00 0.00 H new ATOM 0 HA SER A 35 18.594 -8.392 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.445 -8.586 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.988 -9.941 -4.808 1.00 0.00 H new ATOM 0 HG SER A 35 16.937 -10.518 -2.718 1.00 0.00 H new ATOM 539 N GLY A 36 19.193 -10.885 -5.681 1.00 0.00 N ATOM 540 CA GLY A 36 19.643 -12.121 -6.314 1.00 0.00 C ATOM 541 C GLY A 36 20.698 -12.891 -5.524 1.00 0.00 C ATOM 542 O GLY A 36 21.095 -12.477 -4.436 1.00 0.00 O ATOM 0 H GLY A 36 19.572 -10.728 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.780 -12.769 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.046 -11.884 -7.298 1.00 0.00 H new ATOM 546 N LEU A 37 21.141 -14.028 -6.070 1.00 0.00 N ATOM 547 CA LEU A 37 22.118 -14.926 -5.434 1.00 0.00 C ATOM 548 C LEU A 37 23.485 -14.246 -5.235 1.00 0.00 C ATOM 549 O LEU A 37 24.211 -14.587 -4.302 1.00 0.00 O ATOM 550 CB LEU A 37 22.277 -16.230 -6.248 1.00 0.00 C ATOM 551 CG LEU A 37 20.982 -16.990 -6.602 1.00 0.00 C ATOM 552 CD1 LEU A 37 21.323 -18.309 -7.296 1.00 0.00 C ATOM 553 CD2 LEU A 37 20.124 -17.304 -5.379 1.00 0.00 C ATOM 0 H LEU A 37 20.827 -14.358 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 37 21.729 -15.174 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.795 -15.990 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.924 -16.904 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 37 20.412 -16.334 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 37 20.403 -18.839 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.880 -18.106 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.929 -18.924 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.227 -17.839 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.693 -17.923 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.839 -16.374 -4.886 1.00 0.00 H new ATOM 565 N GLU A 38 23.811 -13.257 -6.074 1.00 0.00 N ATOM 566 CA GLU A 38 24.955 -12.370 -5.921 1.00 0.00 C ATOM 567 C GLU A 38 24.480 -10.918 -6.023 1.00 0.00 C ATOM 568 O GLU A 38 23.848 -10.524 -7.006 1.00 0.00 O ATOM 569 CB GLU A 38 26.011 -12.728 -6.979 1.00 0.00 C ATOM 570 CG GLU A 38 27.332 -11.991 -6.718 1.00 0.00 C ATOM 571 CD GLU A 38 28.435 -12.450 -7.690 1.00 0.00 C ATOM 572 OE1 GLU A 38 29.042 -13.527 -7.465 1.00 0.00 O ATOM 573 OE2 GLU A 38 28.712 -11.726 -8.674 1.00 0.00 O ATOM 0 H GLU A 38 23.261 -13.050 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 38 25.420 -12.491 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.185 -13.804 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.638 -12.471 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.178 -10.917 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.653 -12.169 -5.692 1.00 0.00 H new ATOM 580 N SER A 39 24.830 -10.096 -5.034 1.00 0.00 N ATOM 581 CA SER A 39 24.632 -8.638 -5.031 1.00 0.00 C ATOM 582 C SER A 39 25.687 -7.953 -5.899 1.00 0.00 C ATOM 583 O SER A 39 26.499 -7.143 -5.446 1.00 0.00 O ATOM 584 CB SER A 39 24.596 -8.135 -3.593 1.00 0.00 C ATOM 585 OG SER A 39 25.736 -8.530 -2.847 1.00 0.00 O ATOM 0 H SER A 39 25.275 -10.434 -4.181 1.00 0.00 H new ATOM 0 HA SER A 39 23.672 -8.383 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.527 -7.047 -3.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.698 -8.511 -3.103 1.00 0.00 H new ATOM 0 HG SER A 39 25.666 -8.182 -1.934 1.00 0.00 H new ATOM 591 N SER A 40 25.701 -8.363 -7.162 1.00 0.00 N ATOM 592 CA SER A 40 26.732 -8.034 -8.140 1.00 0.00 C ATOM 593 C SER A 40 26.767 -6.540 -8.488 1.00 0.00 C ATOM 594 O SER A 40 25.772 -5.826 -8.345 1.00 0.00 O ATOM 595 CB SER A 40 26.555 -8.925 -9.371 1.00 0.00 C ATOM 596 OG SER A 40 25.214 -8.879 -9.841 1.00 0.00 O ATOM 0 H SER A 40 24.967 -8.956 -7.548 1.00 0.00 H new ATOM 0 HA SER A 40 27.708 -8.236 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.233 -8.600 -10.161 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.823 -9.952 -9.123 1.00 0.00 H new ATOM 0 HG SER A 40 24.722 -9.657 -9.504 1.00 0.00 H new ATOM 602 N ARG A 41 27.925 -6.068 -8.966 1.00 0.00 N ATOM 603 CA ARG A 41 28.135 -4.674 -9.411 1.00 0.00 C ATOM 604 C ARG A 41 27.265 -4.379 -10.632 1.00 0.00 C ATOM 605 O ARG A 41 27.125 -5.250 -11.481 1.00 0.00 O ATOM 606 CB ARG A 41 29.633 -4.463 -9.717 1.00 0.00 C ATOM 607 CG ARG A 41 29.956 -3.061 -10.270 1.00 0.00 C ATOM 608 CD ARG A 41 31.454 -2.874 -10.547 1.00 0.00 C ATOM 609 NE ARG A 41 32.258 -2.857 -9.305 1.00 0.00 N ATOM 610 CZ ARG A 41 33.578 -2.858 -9.220 1.00 0.00 C ATOM 611 NH1 ARG A 41 34.338 -2.874 -10.280 1.00 0.00 N ATOM 612 NH2 ARG A 41 34.163 -2.847 -8.057 1.00 0.00 N ATOM 0 H ARG A 41 28.759 -6.648 -9.058 1.00 0.00 H new ATOM 0 HA ARG A 41 27.842 -3.980 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 41 30.208 -4.627 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 41 29.958 -5.213 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 29.396 -2.898 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.624 -2.306 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 41 31.805 -3.679 -11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 41 31.607 -1.941 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 41 31.742 -2.843 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 41 33.917 -2.886 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 41 35.353 -2.874 -10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 41 33.603 -2.838 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 41 35.181 -2.848 -7.998 1.00 0.00 H new ATOM 626 N VAL A 42 26.746 -3.150 -10.752 1.00 0.00 N ATOM 627 CA VAL A 42 26.061 -2.612 -11.947 1.00 0.00 C ATOM 628 C VAL A 42 26.824 -3.059 -13.209 1.00 0.00 C ATOM 629 O VAL A 42 27.963 -2.659 -13.450 1.00 0.00 O ATOM 630 CB VAL A 42 25.903 -1.080 -11.822 1.00 0.00 C ATOM 631 CG1 VAL A 42 24.862 -0.768 -10.743 1.00 0.00 C ATOM 632 CG2 VAL A 42 27.185 -0.318 -11.433 1.00 0.00 C ATOM 0 H VAL A 42 26.791 -2.472 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 42 25.050 -3.011 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 42 25.614 -0.746 -12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 42 24.746 0.312 -10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.906 -1.213 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 25.191 -1.181 -9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.970 0.749 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.540 -0.673 -10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.953 -0.490 -12.187 1.00 0.00 H new ATOM 642 N HIS A 43 26.213 -3.970 -13.977 1.00 0.00 N ATOM 643 CA HIS A 43 26.903 -4.683 -15.059 1.00 0.00 C ATOM 644 C HIS A 43 27.282 -3.764 -16.232 1.00 0.00 C ATOM 645 O HIS A 43 26.420 -3.016 -16.691 1.00 0.00 O ATOM 646 CB HIS A 43 26.042 -5.884 -15.482 1.00 0.00 C ATOM 647 CG HIS A 43 26.705 -6.749 -16.507 1.00 0.00 C ATOM 648 ND1 HIS A 43 26.831 -6.441 -17.862 1.00 0.00 N ATOM 649 CD2 HIS A 43 27.369 -7.906 -16.241 1.00 0.00 C ATOM 650 CE1 HIS A 43 27.569 -7.439 -18.383 1.00 0.00 C ATOM 651 NE2 HIS A 43 27.908 -8.322 -17.434 1.00 0.00 N ATOM 0 H HIS A 43 25.233 -4.232 -13.867 1.00 0.00 H new ATOM 0 HA HIS A 43 27.860 -5.052 -14.691 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.810 -6.485 -14.603 1.00 0.00 H new ATOM 0 HB3 HIS A 43 25.094 -5.522 -15.879 1.00 0.00 H new ATOM 0 HD2 HIS A 43 27.455 -8.399 -15.284 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.849 -7.517 -19.423 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.471 -9.161 -17.574 1.00 0.00 H new ATOM 659 N PRO A 44 28.531 -3.809 -16.747 1.00 0.00 N ATOM 660 CA PRO A 44 29.035 -2.841 -17.728 1.00 0.00 C ATOM 661 C PRO A 44 28.219 -2.801 -19.024 1.00 0.00 C ATOM 662 O PRO A 44 27.945 -1.719 -19.552 1.00 0.00 O ATOM 663 CB PRO A 44 30.488 -3.258 -17.999 1.00 0.00 C ATOM 664 CG PRO A 44 30.522 -4.737 -17.614 1.00 0.00 C ATOM 665 CD PRO A 44 29.581 -4.763 -16.418 1.00 0.00 C ATOM 0 HA PRO A 44 28.957 -1.828 -17.332 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.758 -3.111 -19.045 1.00 0.00 H new ATOM 0 HB3 PRO A 44 31.189 -2.674 -17.404 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.174 -5.379 -18.423 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.527 -5.069 -17.352 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.172 -5.761 -16.258 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.099 -4.480 -15.502 1.00 0.00 H new ATOM 673 N THR A 45 27.772 -3.962 -19.512 1.00 0.00 N ATOM 674 CA THR A 45 26.929 -4.049 -20.716 1.00 0.00 C ATOM 675 C THR A 45 25.487 -3.679 -20.386 1.00 0.00 C ATOM 676 O THR A 45 24.859 -2.971 -21.165 1.00 0.00 O ATOM 677 CB THR A 45 27.019 -5.442 -21.362 1.00 0.00 C ATOM 678 OG1 THR A 45 28.365 -5.867 -21.457 1.00 0.00 O ATOM 679 CG2 THR A 45 26.419 -5.488 -22.765 1.00 0.00 C ATOM 0 H THR A 45 27.981 -4.866 -19.088 1.00 0.00 H new ATOM 0 HA THR A 45 27.303 -3.331 -21.446 1.00 0.00 H new ATOM 0 HB THR A 45 26.445 -6.102 -20.712 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.399 -6.756 -21.869 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.513 -6.497 -23.168 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.366 -5.212 -22.719 1.00 0.00 H new ATOM 0 HG23 THR A 45 26.950 -4.789 -23.411 1.00 0.00 H new ATOM 687 N ALA A 46 24.962 -4.047 -19.212 1.00 0.00 N ATOM 688 CA ALA A 46 23.616 -3.626 -18.819 1.00 0.00 C ATOM 689 C ALA A 46 23.506 -2.102 -18.637 1.00 0.00 C ATOM 690 O ALA A 46 22.538 -1.530 -19.122 1.00 0.00 O ATOM 691 CB ALA A 46 23.161 -4.385 -17.573 1.00 0.00 C ATOM 0 H ALA A 46 25.443 -4.628 -18.526 1.00 0.00 H new ATOM 0 HA ALA A 46 22.940 -3.879 -19.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.159 -4.060 -17.295 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.150 -5.455 -17.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.849 -4.183 -16.752 1.00 0.00 H new ATOM 697 N ILE A 47 24.486 -1.405 -18.042 1.00 0.00 N ATOM 698 CA ILE A 47 24.488 0.070 -17.986 1.00 0.00 C ATOM 699 C ILE A 47 24.300 0.649 -19.400 1.00 0.00 C ATOM 700 O ILE A 47 23.396 1.457 -19.605 1.00 0.00 O ATOM 701 CB ILE A 47 25.774 0.605 -17.309 1.00 0.00 C ATOM 702 CG1 ILE A 47 25.933 0.127 -15.847 1.00 0.00 C ATOM 703 CG2 ILE A 47 25.754 2.142 -17.286 1.00 0.00 C ATOM 704 CD1 ILE A 47 27.369 0.246 -15.329 1.00 0.00 C ATOM 0 H ILE A 47 25.291 -1.839 -17.590 1.00 0.00 H new ATOM 0 HA ILE A 47 23.651 0.399 -17.371 1.00 0.00 H new ATOM 0 HB ILE A 47 26.606 0.217 -17.897 1.00 0.00 H new ATOM 0 HG12 ILE A 47 25.272 0.711 -15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 47 25.612 -0.912 -15.774 1.00 0.00 H new ATOM 0 HG21 ILE A 47 26.662 2.511 -16.808 1.00 0.00 H new ATOM 0 HG22 ILE A 47 25.702 2.521 -18.307 1.00 0.00 H new ATOM 0 HG23 ILE A 47 24.884 2.486 -16.727 1.00 0.00 H new ATOM 0 HD11 ILE A 47 27.414 -0.105 -14.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 28.030 -0.360 -15.948 1.00 0.00 H new ATOM 0 HD13 ILE A 47 27.686 1.288 -15.372 1.00 0.00 H new ATOM 716 N ALA A 48 25.041 0.151 -20.397 1.00 0.00 N ATOM 717 CA ALA A 48 24.891 0.557 -21.796 1.00 0.00 C ATOM 718 C ALA A 48 23.489 0.262 -22.366 1.00 0.00 C ATOM 719 O ALA A 48 22.783 1.173 -22.804 1.00 0.00 O ATOM 720 CB ALA A 48 25.978 -0.129 -22.630 1.00 0.00 C ATOM 0 H ALA A 48 25.767 -0.551 -20.252 1.00 0.00 H new ATOM 0 HA ALA A 48 25.006 1.640 -21.845 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.876 0.166 -23.674 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.960 0.169 -22.263 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.872 -1.211 -22.547 1.00 0.00 H new ATOM 726 N MET A 49 23.068 -1.008 -22.345 1.00 0.00 N ATOM 727 CA MET A 49 21.799 -1.444 -22.949 1.00 0.00 C ATOM 728 C MET A 49 20.570 -0.865 -22.239 1.00 0.00 C ATOM 729 O MET A 49 19.504 -0.801 -22.845 1.00 0.00 O ATOM 730 CB MET A 49 21.686 -2.976 -22.962 1.00 0.00 C ATOM 731 CG MET A 49 22.818 -3.743 -23.658 1.00 0.00 C ATOM 732 SD MET A 49 23.159 -3.362 -25.396 1.00 0.00 S ATOM 733 CE MET A 49 24.353 -2.005 -25.265 1.00 0.00 C ATOM 0 H MET A 49 23.596 -1.764 -21.909 1.00 0.00 H new ATOM 0 HA MET A 49 21.814 -1.063 -23.970 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.625 -3.322 -21.930 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.746 -3.244 -23.444 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.734 -3.572 -23.093 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.593 -4.807 -23.587 1.00 0.00 H new ATOM 0 HE1 MET A 49 24.751 -1.773 -26.253 1.00 0.00 H new ATOM 0 HE2 MET A 49 23.859 -1.123 -24.857 1.00 0.00 H new ATOM 0 HE3 MET A 49 25.169 -2.301 -24.606 1.00 0.00 H new ATOM 743 N MET A 50 20.694 -0.448 -20.981 1.00 0.00 N ATOM 744 CA MET A 50 19.603 0.138 -20.204 1.00 0.00 C ATOM 745 C MET A 50 19.582 1.669 -20.369 1.00 0.00 C ATOM 746 O MET A 50 18.509 2.233 -20.566 1.00 0.00 O ATOM 747 CB MET A 50 19.669 -0.384 -18.758 1.00 0.00 C ATOM 748 CG MET A 50 19.578 -1.920 -18.709 1.00 0.00 C ATOM 749 SD MET A 50 17.982 -2.623 -19.214 1.00 0.00 S ATOM 750 CE MET A 50 16.908 -1.896 -17.958 1.00 0.00 C ATOM 0 H MET A 50 21.571 -0.509 -20.463 1.00 0.00 H new ATOM 0 HA MET A 50 18.631 -0.180 -20.581 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.600 -0.059 -18.295 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.855 0.049 -18.176 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.357 -2.334 -19.350 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.794 -2.247 -17.692 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.054 -2.551 -17.786 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.465 -1.775 -17.029 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.556 -0.923 -18.300 1.00 0.00 H new ATOM 760 N GLU A 51 20.733 2.353 -20.448 1.00 0.00 N ATOM 761 CA GLU A 51 20.777 3.779 -20.828 1.00 0.00 C ATOM 762 C GLU A 51 20.213 4.026 -22.242 1.00 0.00 C ATOM 763 O GLU A 51 19.538 5.034 -22.462 1.00 0.00 O ATOM 764 CB GLU A 51 22.208 4.337 -20.758 1.00 0.00 C ATOM 765 CG GLU A 51 22.650 4.690 -19.336 1.00 0.00 C ATOM 766 CD GLU A 51 23.974 5.482 -19.361 1.00 0.00 C ATOM 767 OE1 GLU A 51 25.033 4.925 -19.744 1.00 0.00 O ATOM 768 OE2 GLU A 51 23.962 6.694 -19.029 1.00 0.00 O ATOM 0 H GLU A 51 21.647 1.945 -20.254 1.00 0.00 H new ATOM 0 HA GLU A 51 20.148 4.300 -20.106 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.898 3.603 -21.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.275 5.227 -21.384 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.876 5.280 -18.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.776 3.779 -18.751 1.00 0.00 H new ATOM 775 N GLU A 52 20.400 3.086 -23.179 1.00 0.00 N ATOM 776 CA GLU A 52 19.792 3.127 -24.523 1.00 0.00 C ATOM 777 C GLU A 52 18.253 3.241 -24.494 1.00 0.00 C ATOM 778 O GLU A 52 17.669 3.840 -25.402 1.00 0.00 O ATOM 779 CB GLU A 52 20.177 1.856 -25.300 1.00 0.00 C ATOM 780 CG GLU A 52 21.576 1.926 -25.921 1.00 0.00 C ATOM 781 CD GLU A 52 21.988 0.615 -26.619 1.00 0.00 C ATOM 782 OE1 GLU A 52 21.198 -0.361 -26.667 1.00 0.00 O ATOM 783 OE2 GLU A 52 23.121 0.551 -27.148 1.00 0.00 O ATOM 0 H GLU A 52 20.985 2.264 -23.026 1.00 0.00 H new ATOM 0 HA GLU A 52 20.177 4.023 -25.011 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.128 0.999 -24.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.445 1.685 -26.089 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.607 2.742 -26.643 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.302 2.161 -25.143 1.00 0.00 H new ATOM 790 N VAL A 53 17.599 2.699 -23.458 1.00 0.00 N ATOM 791 CA VAL A 53 16.137 2.791 -23.238 1.00 0.00 C ATOM 792 C VAL A 53 15.724 3.809 -22.152 1.00 0.00 C ATOM 793 O VAL A 53 14.569 3.821 -21.724 1.00 0.00 O ATOM 794 CB VAL A 53 15.496 1.398 -23.035 1.00 0.00 C ATOM 795 CG1 VAL A 53 15.578 0.580 -24.329 1.00 0.00 C ATOM 796 CG2 VAL A 53 16.173 0.589 -21.924 1.00 0.00 C ATOM 0 H VAL A 53 18.077 2.170 -22.728 1.00 0.00 H new ATOM 0 HA VAL A 53 15.726 3.200 -24.161 1.00 0.00 H new ATOM 0 HB VAL A 53 14.460 1.581 -22.750 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.123 -0.398 -24.171 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.047 1.103 -25.124 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.623 0.452 -24.613 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.681 -0.379 -21.827 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.224 0.439 -22.172 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.097 1.131 -20.981 1.00 0.00 H new ATOM 806 N GLY A 54 16.635 4.692 -21.718 1.00 0.00 N ATOM 807 CA GLY A 54 16.362 5.742 -20.719 1.00 0.00 C ATOM 808 C GLY A 54 16.491 5.297 -19.253 1.00 0.00 C ATOM 809 O GLY A 54 15.968 5.964 -18.359 1.00 0.00 O ATOM 0 H GLY A 54 17.598 4.699 -22.055 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.046 6.573 -20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.353 6.121 -20.880 1.00 0.00 H new ATOM 813 N ILE A 55 17.156 4.166 -19.001 1.00 0.00 N ATOM 814 CA ILE A 55 17.209 3.464 -17.709 1.00 0.00 C ATOM 815 C ILE A 55 18.669 3.322 -17.259 1.00 0.00 C ATOM 816 O ILE A 55 19.290 2.276 -17.417 1.00 0.00 O ATOM 817 CB ILE A 55 16.474 2.103 -17.827 1.00 0.00 C ATOM 818 CG1 ILE A 55 15.048 2.264 -18.402 1.00 0.00 C ATOM 819 CG2 ILE A 55 16.411 1.404 -16.454 1.00 0.00 C ATOM 820 CD1 ILE A 55 14.284 0.963 -18.643 1.00 0.00 C ATOM 0 H ILE A 55 17.698 3.691 -19.723 1.00 0.00 H new ATOM 0 HA ILE A 55 16.694 4.038 -16.939 1.00 0.00 H new ATOM 0 HB ILE A 55 17.045 1.486 -18.521 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.468 2.884 -17.719 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.115 2.806 -19.346 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.892 0.451 -16.555 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.423 1.230 -16.088 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.873 2.037 -15.748 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.297 1.190 -19.046 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.833 0.345 -19.353 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.176 0.425 -17.701 1.00 0.00 H new ATOM 832 N ASP A 56 19.263 4.371 -16.696 1.00 0.00 N ATOM 833 CA ASP A 56 20.616 4.263 -16.140 1.00 0.00 C ATOM 834 C ASP A 56 20.625 3.406 -14.859 1.00 0.00 C ATOM 835 O ASP A 56 20.197 3.870 -13.797 1.00 0.00 O ATOM 836 CB ASP A 56 21.203 5.657 -15.880 1.00 0.00 C ATOM 837 CG ASP A 56 22.603 5.558 -15.247 1.00 0.00 C ATOM 838 OD1 ASP A 56 23.290 4.529 -15.461 1.00 0.00 O ATOM 839 OD2 ASP A 56 22.999 6.495 -14.512 1.00 0.00 O ATOM 0 H ASP A 56 18.839 5.295 -16.611 1.00 0.00 H new ATOM 0 HA ASP A 56 21.246 3.760 -16.874 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.262 6.211 -16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.541 6.217 -15.220 1.00 0.00 H new ATOM 844 N ILE A 57 21.145 2.169 -14.929 1.00 0.00 N ATOM 845 CA ILE A 57 21.293 1.314 -13.743 1.00 0.00 C ATOM 846 C ILE A 57 22.560 1.635 -12.940 1.00 0.00 C ATOM 847 O ILE A 57 22.688 1.125 -11.833 1.00 0.00 O ATOM 848 CB ILE A 57 21.212 -0.197 -14.067 1.00 0.00 C ATOM 849 CG1 ILE A 57 22.338 -0.672 -15.008 1.00 0.00 C ATOM 850 CG2 ILE A 57 19.829 -0.576 -14.630 1.00 0.00 C ATOM 851 CD1 ILE A 57 22.870 -2.059 -14.629 1.00 0.00 C ATOM 0 H ILE A 57 21.470 1.740 -15.796 1.00 0.00 H new ATOM 0 HA ILE A 57 20.435 1.550 -13.114 1.00 0.00 H new ATOM 0 HB ILE A 57 21.354 -0.719 -13.121 1.00 0.00 H new ATOM 0 HG12 ILE A 57 21.966 -0.696 -16.032 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.156 0.047 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.805 -1.644 -14.847 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.059 -0.338 -13.896 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.643 -0.015 -15.546 1.00 0.00 H new ATOM 0 HD11 ILE A 57 23.661 -2.347 -15.322 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.269 -2.031 -13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.060 -2.786 -14.681 1.00 0.00 H new ATOM 863 N SER A 58 23.491 2.459 -13.445 1.00 0.00 N ATOM 864 CA SER A 58 24.820 2.645 -12.839 1.00 0.00 C ATOM 865 C SER A 58 24.756 3.222 -11.407 1.00 0.00 C ATOM 866 O SER A 58 25.545 2.847 -10.539 1.00 0.00 O ATOM 867 CB SER A 58 25.695 3.520 -13.739 1.00 0.00 C ATOM 868 OG SER A 58 27.033 3.523 -13.267 1.00 0.00 O ATOM 0 H SER A 58 23.344 3.016 -14.286 1.00 0.00 H new ATOM 0 HA SER A 58 25.269 1.656 -12.751 1.00 0.00 H new ATOM 0 HB2 SER A 58 25.664 3.147 -14.763 1.00 0.00 H new ATOM 0 HB3 SER A 58 25.306 4.538 -13.758 1.00 0.00 H new ATOM 0 HG SER A 58 27.585 4.085 -13.851 1.00 0.00 H new ATOM 874 N GLY A 59 23.760 4.078 -11.132 1.00 0.00 N ATOM 875 CA GLY A 59 23.453 4.618 -9.799 1.00 0.00 C ATOM 876 C GLY A 59 22.354 3.868 -9.022 1.00 0.00 C ATOM 877 O GLY A 59 21.924 4.350 -7.972 1.00 0.00 O ATOM 0 H GLY A 59 23.127 4.424 -11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.366 4.611 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.152 5.660 -9.908 1.00 0.00 H new ATOM 881 N GLN A 60 21.859 2.732 -9.530 1.00 0.00 N ATOM 882 CA GLN A 60 20.700 1.999 -8.994 1.00 0.00 C ATOM 883 C GLN A 60 21.136 0.901 -8.000 1.00 0.00 C ATOM 884 O GLN A 60 22.241 0.367 -8.093 1.00 0.00 O ATOM 885 CB GLN A 60 19.872 1.472 -10.184 1.00 0.00 C ATOM 886 CG GLN A 60 18.365 1.327 -9.916 1.00 0.00 C ATOM 887 CD GLN A 60 17.604 1.037 -11.211 1.00 0.00 C ATOM 888 OE1 GLN A 60 17.356 1.904 -12.033 1.00 0.00 O ATOM 889 NE2 GLN A 60 17.219 -0.190 -11.467 1.00 0.00 N ATOM 0 H GLN A 60 22.265 2.282 -10.351 1.00 0.00 H new ATOM 0 HA GLN A 60 20.064 2.662 -8.407 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.012 2.145 -11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.268 0.501 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.195 0.521 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.983 2.241 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.413 -0.935 -10.798 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.726 -0.399 -12.335 1.00 0.00 H new ATOM 898 N THR A 61 20.284 0.561 -7.024 1.00 0.00 N ATOM 899 CA THR A 61 20.664 -0.329 -5.902 1.00 0.00 C ATOM 900 C THR A 61 20.923 -1.781 -6.314 1.00 0.00 C ATOM 901 O THR A 61 20.322 -2.292 -7.261 1.00 0.00 O ATOM 902 CB THR A 61 19.642 -0.279 -4.756 1.00 0.00 C ATOM 903 OG1 THR A 61 20.182 -0.922 -3.623 1.00 0.00 O ATOM 904 CG2 THR A 61 18.293 -0.931 -5.066 1.00 0.00 C ATOM 0 H THR A 61 19.319 0.888 -6.983 1.00 0.00 H new ATOM 0 HA THR A 61 21.615 0.069 -5.548 1.00 0.00 H new ATOM 0 HB THR A 61 19.449 0.781 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.533 -0.891 -2.889 1.00 0.00 H new ATOM 0 HG21 THR A 61 17.640 -0.846 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.833 -0.429 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.444 -1.984 -5.304 1.00 0.00 H new ATOM 912 N SER A 62 21.812 -2.456 -5.583 1.00 0.00 N ATOM 913 CA SER A 62 22.051 -3.899 -5.659 1.00 0.00 C ATOM 914 C SER A 62 22.161 -4.469 -4.234 1.00 0.00 C ATOM 915 O SER A 62 22.842 -3.894 -3.382 1.00 0.00 O ATOM 916 CB SER A 62 23.321 -4.189 -6.463 1.00 0.00 C ATOM 917 OG SER A 62 23.562 -5.580 -6.540 1.00 0.00 O ATOM 0 H SER A 62 22.408 -1.995 -4.895 1.00 0.00 H new ATOM 0 HA SER A 62 21.217 -4.380 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.223 -3.777 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.173 -3.693 -5.997 1.00 0.00 H new ATOM 0 HG SER A 62 24.312 -5.749 -7.148 1.00 0.00 H new ATOM 923 N ASP A 63 21.474 -5.581 -3.959 1.00 0.00 N ATOM 924 CA ASP A 63 21.316 -6.185 -2.627 1.00 0.00 C ATOM 925 C ASP A 63 21.201 -7.726 -2.731 1.00 0.00 C ATOM 926 O ASP A 63 20.682 -8.218 -3.741 1.00 0.00 O ATOM 927 CB ASP A 63 20.069 -5.588 -1.953 1.00 0.00 C ATOM 928 CG ASP A 63 20.159 -5.672 -0.421 1.00 0.00 C ATOM 929 OD1 ASP A 63 20.939 -4.895 0.174 1.00 0.00 O ATOM 930 OD2 ASP A 63 19.462 -6.508 0.197 1.00 0.00 O ATOM 0 H ASP A 63 20.992 -6.109 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 63 22.195 -5.963 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.955 -4.547 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.180 -6.118 -2.295 1.00 0.00 H new ATOM 935 N PRO A 64 21.710 -8.513 -1.761 1.00 0.00 N ATOM 936 CA PRO A 64 21.752 -9.973 -1.871 1.00 0.00 C ATOM 937 C PRO A 64 20.501 -10.647 -1.285 1.00 0.00 C ATOM 938 O PRO A 64 19.896 -10.176 -0.319 1.00 0.00 O ATOM 939 CB PRO A 64 23.008 -10.403 -1.102 1.00 0.00 C ATOM 940 CG PRO A 64 23.065 -9.365 0.011 1.00 0.00 C ATOM 941 CD PRO A 64 22.561 -8.085 -0.653 1.00 0.00 C ATOM 0 HA PRO A 64 21.778 -10.277 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 64 22.921 -11.417 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.899 -10.379 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 64 22.438 -9.650 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.079 -9.244 0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 64 22.002 -7.473 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.392 -7.478 -1.012 1.00 0.00 H new ATOM 949 N ILE A 65 20.197 -11.845 -1.785 1.00 0.00 N ATOM 950 CA ILE A 65 19.034 -12.660 -1.377 1.00 0.00 C ATOM 951 C ILE A 65 19.013 -13.064 0.113 1.00 0.00 C ATOM 952 O ILE A 65 17.947 -13.353 0.653 1.00 0.00 O ATOM 953 CB ILE A 65 18.927 -13.878 -2.321 1.00 0.00 C ATOM 954 CG1 ILE A 65 17.567 -14.586 -2.206 1.00 0.00 C ATOM 955 CG2 ILE A 65 20.086 -14.871 -2.104 1.00 0.00 C ATOM 956 CD1 ILE A 65 17.296 -15.581 -3.341 1.00 0.00 C ATOM 0 H ILE A 65 20.763 -12.294 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 65 18.148 -12.033 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 65 19.005 -13.490 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.520 -15.113 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.776 -13.836 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.975 -15.714 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.035 -14.370 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.068 -15.232 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.319 -16.043 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.310 -15.056 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.066 -16.353 -3.340 1.00 0.00 H new ATOM 968 N GLU A 66 20.162 -13.058 0.797 1.00 0.00 N ATOM 969 CA GLU A 66 20.262 -13.372 2.236 1.00 0.00 C ATOM 970 C GLU A 66 20.212 -12.133 3.157 1.00 0.00 C ATOM 971 O GLU A 66 20.080 -12.283 4.374 1.00 0.00 O ATOM 972 CB GLU A 66 21.516 -14.220 2.501 1.00 0.00 C ATOM 973 CG GLU A 66 21.470 -15.568 1.766 1.00 0.00 C ATOM 974 CD GLU A 66 22.633 -16.476 2.210 1.00 0.00 C ATOM 975 OE1 GLU A 66 23.746 -16.378 1.634 1.00 0.00 O ATOM 976 OE2 GLU A 66 22.450 -17.300 3.141 1.00 0.00 O ATOM 0 H GLU A 66 21.060 -12.834 0.368 1.00 0.00 H new ATOM 0 HA GLU A 66 19.372 -13.947 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.400 -13.666 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.614 -14.395 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.520 -16.063 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.523 -15.402 0.690 1.00 0.00 H new ATOM 983 N ASN A 67 20.283 -10.913 2.603 1.00 0.00 N ATOM 984 CA ASN A 67 20.047 -9.665 3.342 1.00 0.00 C ATOM 985 C ASN A 67 18.592 -9.189 3.209 1.00 0.00 C ATOM 986 O ASN A 67 18.017 -8.679 4.174 1.00 0.00 O ATOM 987 CB ASN A 67 21.011 -8.584 2.838 1.00 0.00 C ATOM 988 CG ASN A 67 20.816 -7.266 3.567 1.00 0.00 C ATOM 989 OD1 ASN A 67 21.135 -7.123 4.739 1.00 0.00 O ATOM 990 ND2 ASN A 67 20.280 -6.270 2.905 1.00 0.00 N ATOM 0 H ASN A 67 20.508 -10.765 1.619 1.00 0.00 H new ATOM 0 HA ASN A 67 20.229 -9.856 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.038 -8.923 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.860 -8.433 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.128 -5.373 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 67 20.015 -6.391 1.928 1.00 0.00 H new ATOM 997 N PHE A 68 17.992 -9.362 2.027 1.00 0.00 N ATOM 998 CA PHE A 68 16.581 -9.061 1.802 1.00 0.00 C ATOM 999 C PHE A 68 15.660 -10.074 2.521 1.00 0.00 C ATOM 1000 O PHE A 68 16.089 -11.159 2.917 1.00 0.00 O ATOM 1001 CB PHE A 68 16.330 -8.948 0.286 1.00 0.00 C ATOM 1002 CG PHE A 68 15.130 -9.694 -0.254 1.00 0.00 C ATOM 1003 CD1 PHE A 68 15.253 -11.050 -0.603 1.00 0.00 C ATOM 1004 CD2 PHE A 68 13.891 -9.046 -0.393 1.00 0.00 C ATOM 1005 CE1 PHE A 68 14.156 -11.736 -1.146 1.00 0.00 C ATOM 1006 CE2 PHE A 68 12.796 -9.735 -0.935 1.00 0.00 C ATOM 1007 CZ PHE A 68 12.930 -11.077 -1.330 1.00 0.00 C ATOM 0 H PHE A 68 18.474 -9.715 1.201 1.00 0.00 H new ATOM 0 HA PHE A 68 16.327 -8.099 2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.217 -7.893 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 68 17.218 -9.306 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.191 -11.564 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.782 -8.017 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.255 -12.775 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.847 -9.233 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.094 -11.599 -1.773 1.00 0.00 H new ATOM 1017 N ASN A 69 14.381 -9.709 2.678 1.00 0.00 N ATOM 1018 CA ASN A 69 13.324 -10.609 3.137 1.00 0.00 C ATOM 1019 C ASN A 69 12.030 -10.373 2.344 1.00 0.00 C ATOM 1020 O ASN A 69 11.608 -9.233 2.177 1.00 0.00 O ATOM 1021 CB ASN A 69 13.126 -10.448 4.658 1.00 0.00 C ATOM 1022 CG ASN A 69 12.476 -9.128 5.050 1.00 0.00 C ATOM 1023 OD1 ASN A 69 11.303 -9.072 5.383 1.00 0.00 O ATOM 1024 ND2 ASN A 69 13.201 -8.032 5.009 1.00 0.00 N ATOM 0 H ASN A 69 14.050 -8.764 2.485 1.00 0.00 H new ATOM 0 HA ASN A 69 13.617 -11.642 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.511 -11.270 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.094 -10.528 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.783 -7.135 5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.181 -8.079 4.731 1.00 0.00 H new ATOM 1031 N ALA A 70 11.366 -11.432 1.882 1.00 0.00 N ATOM 1032 CA ALA A 70 10.184 -11.334 1.014 1.00 0.00 C ATOM 1033 C ALA A 70 8.869 -10.965 1.741 1.00 0.00 C ATOM 1034 O ALA A 70 7.800 -10.994 1.133 1.00 0.00 O ATOM 1035 CB ALA A 70 10.040 -12.646 0.243 1.00 0.00 C ATOM 0 H ALA A 70 11.633 -12.392 2.099 1.00 0.00 H new ATOM 0 HA ALA A 70 10.354 -10.497 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.167 -12.592 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.932 -12.813 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.918 -13.470 0.946 1.00 0.00 H new ATOM 1041 N ASP A 71 8.918 -10.632 3.033 1.00 0.00 N ATOM 1042 CA ASP A 71 7.708 -10.406 3.845 1.00 0.00 C ATOM 1043 C ASP A 71 7.020 -9.065 3.522 1.00 0.00 C ATOM 1044 O ASP A 71 5.794 -8.956 3.587 1.00 0.00 O ATOM 1045 CB ASP A 71 8.068 -10.488 5.332 1.00 0.00 C ATOM 1046 CG ASP A 71 6.814 -10.464 6.222 1.00 0.00 C ATOM 1047 OD1 ASP A 71 6.047 -11.457 6.215 1.00 0.00 O ATOM 1048 OD2 ASP A 71 6.601 -9.463 6.949 1.00 0.00 O ATOM 0 H ASP A 71 9.790 -10.511 3.548 1.00 0.00 H new ATOM 0 HA ASP A 71 6.990 -11.188 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.631 -11.402 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.718 -9.654 5.596 1.00 0.00 H new ATOM 1053 N ASP A 72 7.806 -8.060 3.123 1.00 0.00 N ATOM 1054 CA ASP A 72 7.327 -6.721 2.752 1.00 0.00 C ATOM 1055 C ASP A 72 6.957 -6.588 1.255 1.00 0.00 C ATOM 1056 O ASP A 72 6.471 -5.540 0.824 1.00 0.00 O ATOM 1057 CB ASP A 72 8.396 -5.700 3.174 1.00 0.00 C ATOM 1058 CG ASP A 72 7.863 -4.263 3.311 1.00 0.00 C ATOM 1059 OD1 ASP A 72 6.741 -4.055 3.836 1.00 0.00 O ATOM 1060 OD2 ASP A 72 8.608 -3.312 2.971 1.00 0.00 O ATOM 0 H ASP A 72 8.819 -8.156 3.047 1.00 0.00 H new ATOM 0 HA ASP A 72 6.392 -6.529 3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.826 -6.010 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.203 -5.710 2.442 1.00 0.00 H new ATOM 1065 N TYR A 73 7.177 -7.645 0.458 1.00 0.00 N ATOM 1066 CA TYR A 73 7.055 -7.656 -1.003 1.00 0.00 C ATOM 1067 C TYR A 73 6.068 -8.746 -1.443 1.00 0.00 C ATOM 1068 O TYR A 73 6.447 -9.899 -1.641 1.00 0.00 O ATOM 1069 CB TYR A 73 8.444 -7.842 -1.650 1.00 0.00 C ATOM 1070 CG TYR A 73 9.519 -6.920 -1.107 1.00 0.00 C ATOM 1071 CD1 TYR A 73 10.252 -7.321 0.024 1.00 0.00 C ATOM 1072 CD2 TYR A 73 9.773 -5.668 -1.696 1.00 0.00 C ATOM 1073 CE1 TYR A 73 11.228 -6.482 0.584 1.00 0.00 C ATOM 1074 CE2 TYR A 73 10.717 -4.800 -1.113 1.00 0.00 C ATOM 1075 CZ TYR A 73 11.456 -5.207 0.021 1.00 0.00 C ATOM 1076 OH TYR A 73 12.381 -4.366 0.563 1.00 0.00 O ATOM 0 H TYR A 73 7.456 -8.552 0.832 1.00 0.00 H new ATOM 0 HA TYR A 73 6.659 -6.698 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.762 -8.875 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.355 -7.682 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.062 -8.287 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.246 -5.373 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.801 -6.809 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.877 -3.819 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 73 12.407 -3.533 0.048 1.00 0.00 H new ATOM 1086 N ASP A 74 4.791 -8.388 -1.632 1.00 0.00 N ATOM 1087 CA ASP A 74 3.758 -9.353 -2.059 1.00 0.00 C ATOM 1088 C ASP A 74 4.025 -9.961 -3.448 1.00 0.00 C ATOM 1089 O ASP A 74 3.469 -11.010 -3.776 1.00 0.00 O ATOM 1090 CB ASP A 74 2.378 -8.676 -2.059 1.00 0.00 C ATOM 1091 CG ASP A 74 1.787 -8.443 -0.658 1.00 0.00 C ATOM 1092 OD1 ASP A 74 1.998 -9.268 0.261 1.00 0.00 O ATOM 1093 OD2 ASP A 74 1.046 -7.441 -0.503 1.00 0.00 O ATOM 0 H ASP A 74 4.444 -7.438 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 74 3.787 -10.172 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.457 -7.717 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.685 -9.289 -2.635 1.00 0.00 H new ATOM 1098 N VAL A 75 4.873 -9.317 -4.260 1.00 0.00 N ATOM 1099 CA VAL A 75 5.179 -9.716 -5.637 1.00 0.00 C ATOM 1100 C VAL A 75 6.672 -10.012 -5.789 1.00 0.00 C ATOM 1101 O VAL A 75 7.498 -9.104 -5.682 1.00 0.00 O ATOM 1102 CB VAL A 75 4.728 -8.615 -6.614 1.00 0.00 C ATOM 1103 CG1 VAL A 75 4.838 -9.103 -8.056 1.00 0.00 C ATOM 1104 CG2 VAL A 75 3.283 -8.153 -6.377 1.00 0.00 C ATOM 0 H VAL A 75 5.379 -8.481 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 75 4.633 -10.629 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 75 5.392 -7.769 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.515 -8.312 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.873 -9.367 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.204 -9.979 -8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.026 -7.377 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.606 -8.999 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.189 -7.755 -5.366 1.00 0.00 H new ATOM 1114 N VAL A 76 7.032 -11.266 -6.070 1.00 0.00 N ATOM 1115 CA VAL A 76 8.431 -11.709 -6.217 1.00 0.00 C ATOM 1116 C VAL A 76 8.629 -12.454 -7.537 1.00 0.00 C ATOM 1117 O VAL A 76 7.876 -13.366 -7.859 1.00 0.00 O ATOM 1118 CB VAL A 76 8.883 -12.581 -5.031 1.00 0.00 C ATOM 1119 CG1 VAL A 76 10.379 -12.911 -5.148 1.00 0.00 C ATOM 1120 CG2 VAL A 76 8.672 -11.882 -3.683 1.00 0.00 C ATOM 0 H VAL A 76 6.355 -12.017 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 76 9.055 -10.815 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 76 8.275 -13.485 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.683 -13.528 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.561 -13.453 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.957 -11.987 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.006 -12.536 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.246 -10.956 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.614 -11.656 -3.552 1.00 0.00 H new ATOM 1130 N ILE A 77 9.645 -12.076 -8.313 1.00 0.00 N ATOM 1131 CA ILE A 77 9.853 -12.586 -9.674 1.00 0.00 C ATOM 1132 C ILE A 77 11.156 -13.373 -9.785 1.00 0.00 C ATOM 1133 O ILE A 77 12.227 -12.836 -9.526 1.00 0.00 O ATOM 1134 CB ILE A 77 9.834 -11.423 -10.686 1.00 0.00 C ATOM 1135 CG1 ILE A 77 8.629 -10.470 -10.541 1.00 0.00 C ATOM 1136 CG2 ILE A 77 9.917 -11.975 -12.117 1.00 0.00 C ATOM 1137 CD1 ILE A 77 7.244 -11.113 -10.667 1.00 0.00 C ATOM 0 H ILE A 77 10.352 -11.404 -8.016 1.00 0.00 H new ATOM 0 HA ILE A 77 9.036 -13.270 -9.905 1.00 0.00 H new ATOM 0 HB ILE A 77 10.711 -10.814 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.693 -9.981 -9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.715 -9.690 -11.297 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.903 -11.148 -12.827 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.841 -12.540 -12.236 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.065 -12.629 -12.305 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.476 -10.349 -10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.146 -11.576 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.123 -11.872 -9.894 1.00 0.00 H new ATOM 1149 N SER A 78 11.076 -14.613 -10.259 1.00 0.00 N ATOM 1150 CA SER A 78 12.216 -15.450 -10.642 1.00 0.00 C ATOM 1151 C SER A 78 12.596 -15.147 -12.088 1.00 0.00 C ATOM 1152 O SER A 78 12.080 -15.747 -13.025 1.00 0.00 O ATOM 1153 CB SER A 78 11.824 -16.911 -10.448 1.00 0.00 C ATOM 1154 OG SER A 78 12.763 -17.818 -11.007 1.00 0.00 O ATOM 0 H SER A 78 10.181 -15.084 -10.393 1.00 0.00 H new ATOM 0 HA SER A 78 13.088 -15.241 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.721 -17.115 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.848 -17.082 -10.901 1.00 0.00 H new ATOM 0 HG SER A 78 13.667 -17.570 -10.721 1.00 0.00 H new ATOM 1160 N LEU A 79 13.525 -14.211 -12.279 1.00 0.00 N ATOM 1161 CA LEU A 79 14.136 -13.917 -13.583 1.00 0.00 C ATOM 1162 C LEU A 79 15.188 -14.962 -13.978 1.00 0.00 C ATOM 1163 O LEU A 79 15.668 -14.960 -15.108 1.00 0.00 O ATOM 1164 CB LEU A 79 14.730 -12.503 -13.529 1.00 0.00 C ATOM 1165 CG LEU A 79 13.749 -11.351 -13.273 1.00 0.00 C ATOM 1166 CD1 LEU A 79 14.568 -10.082 -13.435 1.00 0.00 C ATOM 1167 CD2 LEU A 79 12.595 -11.271 -14.256 1.00 0.00 C ATOM 0 H LEU A 79 13.882 -13.625 -11.524 1.00 0.00 H new ATOM 0 HA LEU A 79 13.371 -13.964 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.489 -12.483 -12.747 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.240 -12.312 -14.473 1.00 0.00 H new ATOM 0 HG LEU A 79 13.302 -11.498 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.931 -9.214 -13.266 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.383 -10.080 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.978 -10.040 -14.444 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.954 -10.428 -13.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.985 -11.134 -15.265 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.016 -12.193 -14.213 1.00 0.00 H new ATOM 1179 N CYS A 80 15.581 -15.839 -13.046 1.00 0.00 N ATOM 1180 CA CYS A 80 16.396 -17.022 -13.338 1.00 0.00 C ATOM 1181 C CYS A 80 15.562 -18.139 -14.008 1.00 0.00 C ATOM 1182 O CYS A 80 16.130 -19.021 -14.646 1.00 0.00 O ATOM 1183 CB CYS A 80 17.040 -17.535 -12.035 1.00 0.00 C ATOM 1184 SG CYS A 80 15.853 -18.021 -10.746 1.00 0.00 S ATOM 0 H CYS A 80 15.339 -15.745 -12.059 1.00 0.00 H new ATOM 0 HA CYS A 80 17.177 -16.736 -14.043 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.672 -18.391 -12.270 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.692 -16.757 -11.636 1.00 0.00 H new ATOM 1189 N GLY A 81 14.228 -18.137 -13.823 1.00 0.00 N ATOM 1190 CA GLY A 81 13.351 -19.253 -14.210 1.00 0.00 C ATOM 1191 C GLY A 81 13.655 -20.539 -13.426 1.00 0.00 C ATOM 1192 O GLY A 81 13.362 -21.637 -13.896 1.00 0.00 O ATOM 0 H GLY A 81 13.728 -17.356 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.312 -18.968 -14.046 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.464 -19.446 -15.277 1.00 0.00 H new ATOM 1196 N CYS A 82 14.290 -20.404 -12.251 1.00 0.00 N ATOM 1197 CA CYS A 82 14.859 -21.502 -11.470 1.00 0.00 C ATOM 1198 C CYS A 82 13.935 -21.975 -10.335 1.00 0.00 C ATOM 1199 O CYS A 82 13.604 -23.158 -10.276 1.00 0.00 O ATOM 1200 CB CYS A 82 16.292 -21.118 -11.035 1.00 0.00 C ATOM 1201 SG CYS A 82 16.590 -19.724 -9.881 1.00 0.00 S ATOM 0 H CYS A 82 14.423 -19.495 -11.808 1.00 0.00 H new ATOM 0 HA CYS A 82 14.940 -22.392 -12.094 1.00 0.00 H new ATOM 0 HB2 CYS A 82 16.737 -22.005 -10.585 1.00 0.00 H new ATOM 0 HB3 CYS A 82 16.855 -20.905 -11.944 1.00 0.00 H new ATOM 1206 N GLY A 83 13.486 -21.070 -9.449 1.00 0.00 N ATOM 1207 CA GLY A 83 12.559 -21.366 -8.339 1.00 0.00 C ATOM 1208 C GLY A 83 13.185 -22.184 -7.206 1.00 0.00 C ATOM 1209 O GLY A 83 13.386 -21.676 -6.108 1.00 0.00 O ATOM 0 H GLY A 83 13.763 -20.089 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.185 -20.427 -7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.699 -21.908 -8.732 1.00 0.00 H new ATOM 1213 N VAL A 84 13.574 -23.430 -7.488 1.00 0.00 N ATOM 1214 CA VAL A 84 14.132 -24.395 -6.516 1.00 0.00 C ATOM 1215 C VAL A 84 15.478 -23.971 -5.911 1.00 0.00 C ATOM 1216 O VAL A 84 15.829 -24.421 -4.821 1.00 0.00 O ATOM 1217 CB VAL A 84 14.254 -25.801 -7.140 1.00 0.00 C ATOM 1218 CG1 VAL A 84 12.884 -26.328 -7.582 1.00 0.00 C ATOM 1219 CG2 VAL A 84 15.209 -25.846 -8.343 1.00 0.00 C ATOM 0 H VAL A 84 13.510 -23.816 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 84 13.418 -24.417 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 84 14.667 -26.434 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.999 -27.320 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.221 -26.386 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.457 -25.653 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.251 -26.862 -8.736 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.849 -25.171 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.206 -25.537 -8.028 1.00 0.00 H new ATOM 1229 N ASN A 85 16.222 -23.084 -6.591 1.00 0.00 N ATOM 1230 CA ASN A 85 17.489 -22.519 -6.100 1.00 0.00 C ATOM 1231 C ASN A 85 17.291 -21.243 -5.242 1.00 0.00 C ATOM 1232 O ASN A 85 18.261 -20.671 -4.744 1.00 0.00 O ATOM 1233 CB ASN A 85 18.424 -22.308 -7.310 1.00 0.00 C ATOM 1234 CG ASN A 85 19.907 -22.242 -6.954 1.00 0.00 C ATOM 1235 OD1 ASN A 85 20.358 -22.622 -5.881 1.00 0.00 O ATOM 1236 ND2 ASN A 85 20.730 -21.798 -7.880 1.00 0.00 N ATOM 0 H ASN A 85 15.956 -22.734 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 85 17.957 -23.222 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 85 18.269 -23.120 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 85 18.142 -21.384 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 85 21.734 -21.773 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 85 20.364 -21.479 -8.777 1.00 0.00 H new ATOM 1243 N LEU A 86 16.043 -20.790 -5.058 1.00 0.00 N ATOM 1244 CA LEU A 86 15.664 -19.723 -4.121 1.00 0.00 C ATOM 1245 C LEU A 86 15.216 -20.340 -2.775 1.00 0.00 C ATOM 1246 O LEU A 86 14.675 -21.452 -2.774 1.00 0.00 O ATOM 1247 CB LEU A 86 14.541 -18.846 -4.718 1.00 0.00 C ATOM 1248 CG LEU A 86 14.749 -18.347 -6.162 1.00 0.00 C ATOM 1249 CD1 LEU A 86 13.598 -17.415 -6.537 1.00 0.00 C ATOM 1250 CD2 LEU A 86 16.059 -17.584 -6.354 1.00 0.00 C ATOM 0 H LEU A 86 15.246 -21.167 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 86 16.531 -19.086 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.611 -19.414 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 86 14.408 -17.977 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 86 14.784 -19.231 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.737 -17.057 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.654 -17.956 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.580 -16.566 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.143 -17.261 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.071 -16.712 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.898 -18.234 -6.107 1.00 0.00 H new ATOM 1262 N PRO A 87 15.378 -19.641 -1.632 1.00 0.00 N ATOM 1263 CA PRO A 87 14.784 -20.066 -0.364 1.00 0.00 C ATOM 1264 C PRO A 87 13.250 -20.164 -0.488 1.00 0.00 C ATOM 1265 O PRO A 87 12.647 -19.247 -1.049 1.00 0.00 O ATOM 1266 CB PRO A 87 15.205 -19.010 0.668 1.00 0.00 C ATOM 1267 CG PRO A 87 16.479 -18.416 0.064 1.00 0.00 C ATOM 1268 CD PRO A 87 16.182 -18.447 -1.433 1.00 0.00 C ATOM 0 HA PRO A 87 15.125 -21.057 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.434 -18.252 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.393 -19.455 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.662 -17.402 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.360 -19.006 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.645 -17.552 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.101 -18.488 -2.017 1.00 0.00 H new ATOM 1276 N PRO A 88 12.586 -21.213 0.042 1.00 0.00 N ATOM 1277 CA PRO A 88 11.137 -21.393 -0.120 1.00 0.00 C ATOM 1278 C PRO A 88 10.323 -20.276 0.554 1.00 0.00 C ATOM 1279 O PRO A 88 9.271 -19.875 0.055 1.00 0.00 O ATOM 1280 CB PRO A 88 10.834 -22.778 0.467 1.00 0.00 C ATOM 1281 CG PRO A 88 11.968 -23.013 1.465 1.00 0.00 C ATOM 1282 CD PRO A 88 13.158 -22.314 0.806 1.00 0.00 C ATOM 0 HA PRO A 88 10.845 -21.333 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.860 -22.800 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.818 -23.545 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.740 -22.587 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 88 12.158 -24.076 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 88 13.862 -21.949 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 88 13.706 -22.998 0.159 1.00 0.00 H new ATOM 1290 N GLU A 89 10.849 -19.686 1.631 1.00 0.00 N ATOM 1291 CA GLU A 89 10.272 -18.487 2.252 1.00 0.00 C ATOM 1292 C GLU A 89 10.238 -17.267 1.312 1.00 0.00 C ATOM 1293 O GLU A 89 9.319 -16.461 1.432 1.00 0.00 O ATOM 1294 CB GLU A 89 10.976 -18.175 3.585 1.00 0.00 C ATOM 1295 CG GLU A 89 12.504 -18.027 3.510 1.00 0.00 C ATOM 1296 CD GLU A 89 13.148 -17.938 4.914 1.00 0.00 C ATOM 1297 OE1 GLU A 89 12.606 -17.254 5.820 1.00 0.00 O ATOM 1298 OE2 GLU A 89 14.205 -18.581 5.134 1.00 0.00 O ATOM 0 H GLU A 89 11.689 -20.026 2.099 1.00 0.00 H new ATOM 0 HA GLU A 89 9.227 -18.712 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.559 -17.252 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.740 -18.968 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.924 -18.876 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.754 -17.133 2.939 1.00 0.00 H new ATOM 1305 N TRP A 90 11.161 -17.148 0.342 1.00 0.00 N ATOM 1306 CA TRP A 90 11.130 -16.137 -0.730 1.00 0.00 C ATOM 1307 C TRP A 90 10.362 -16.582 -1.999 1.00 0.00 C ATOM 1308 O TRP A 90 10.476 -15.943 -3.049 1.00 0.00 O ATOM 1309 CB TRP A 90 12.556 -15.677 -1.064 1.00 0.00 C ATOM 1310 CG TRP A 90 13.466 -15.236 0.046 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.803 -15.159 -0.116 1.00 0.00 C ATOM 1312 CD2 TRP A 90 13.220 -14.782 1.426 1.00 0.00 C ATOM 1313 NE1 TRP A 90 15.399 -14.689 1.028 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.481 -14.478 2.025 1.00 0.00 C ATOM 1315 CE3 TRP A 90 12.087 -14.592 2.250 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.616 -14.049 3.351 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 12.206 -14.190 3.597 1.00 0.00 C ATOM 1318 CH2 TRP A 90 13.471 -13.930 4.153 1.00 0.00 C ATOM 0 H TRP A 90 11.969 -17.767 0.280 1.00 0.00 H new ATOM 0 HA TRP A 90 10.561 -15.292 -0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 90 13.050 -16.496 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 90 12.476 -14.850 -1.770 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.330 -15.429 -1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 90 16.400 -14.518 1.124 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.103 -14.759 1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.591 -13.812 3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.320 -14.081 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.561 -13.641 5.190 1.00 0.00 H new ATOM 1329 N VAL A 91 9.590 -17.673 -1.922 1.00 0.00 N ATOM 1330 CA VAL A 91 8.735 -18.200 -3.003 1.00 0.00 C ATOM 1331 C VAL A 91 7.247 -18.104 -2.638 1.00 0.00 C ATOM 1332 O VAL A 91 6.423 -17.806 -3.499 1.00 0.00 O ATOM 1333 CB VAL A 91 9.141 -19.653 -3.341 1.00 0.00 C ATOM 1334 CG1 VAL A 91 8.140 -20.372 -4.252 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.521 -19.690 -4.008 1.00 0.00 C ATOM 0 H VAL A 91 9.539 -18.238 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 91 8.885 -17.586 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 91 9.159 -20.179 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.489 -21.386 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.166 -20.411 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.052 -19.831 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.787 -20.722 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.495 -19.109 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.263 -19.266 -3.332 1.00 0.00 H new ATOM 1345 N THR A 92 6.871 -18.326 -1.377 1.00 0.00 N ATOM 1346 CA THR A 92 5.465 -18.476 -0.935 1.00 0.00 C ATOM 1347 C THR A 92 4.693 -17.152 -0.726 1.00 0.00 C ATOM 1348 O THR A 92 3.733 -17.090 0.048 1.00 0.00 O ATOM 1349 CB THR A 92 5.387 -19.417 0.280 1.00 0.00 C ATOM 1350 OG1 THR A 92 6.254 -18.969 1.305 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.807 -20.839 -0.118 1.00 0.00 C ATOM 0 H THR A 92 7.541 -18.410 -0.612 1.00 0.00 H new ATOM 0 HA THR A 92 4.934 -18.936 -1.768 1.00 0.00 H new ATOM 0 HB THR A 92 4.357 -19.419 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.194 -19.575 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.747 -21.493 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.142 -21.210 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.831 -20.825 -0.491 1.00 0.00 H new ATOM 1359 N GLN A 93 5.079 -16.088 -1.436 1.00 0.00 N ATOM 1360 CA GLN A 93 4.392 -14.787 -1.481 1.00 0.00 C ATOM 1361 C GLN A 93 3.137 -14.811 -2.368 1.00 0.00 C ATOM 1362 O GLN A 93 2.911 -15.740 -3.146 1.00 0.00 O ATOM 1363 CB GLN A 93 5.385 -13.685 -1.918 1.00 0.00 C ATOM 1364 CG GLN A 93 6.302 -13.235 -0.777 1.00 0.00 C ATOM 1365 CD GLN A 93 7.226 -14.346 -0.298 1.00 0.00 C ATOM 1366 OE1 GLN A 93 7.943 -14.964 -1.073 1.00 0.00 O ATOM 1367 NE2 GLN A 93 7.229 -14.665 0.977 1.00 0.00 N ATOM 0 H GLN A 93 5.914 -16.107 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 93 4.037 -14.560 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.993 -14.055 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.828 -12.826 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.901 -12.387 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.694 -12.888 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.635 -14.156 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.825 -15.422 1.312 1.00 0.00 H new ATOM 1376 N GLU A 94 2.307 -13.771 -2.223 1.00 0.00 N ATOM 1377 CA GLU A 94 0.986 -13.660 -2.853 1.00 0.00 C ATOM 1378 C GLU A 94 1.037 -13.797 -4.390 1.00 0.00 C ATOM 1379 O GLU A 94 0.176 -14.455 -4.981 1.00 0.00 O ATOM 1380 CB GLU A 94 0.376 -12.312 -2.440 1.00 0.00 C ATOM 1381 CG GLU A 94 -1.115 -12.248 -2.765 1.00 0.00 C ATOM 1382 CD GLU A 94 -1.727 -10.921 -2.276 1.00 0.00 C ATOM 1383 OE1 GLU A 94 -1.436 -9.853 -2.869 1.00 0.00 O ATOM 1384 OE2 GLU A 94 -2.506 -10.932 -1.292 1.00 0.00 O ATOM 0 H GLU A 94 2.542 -12.962 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 94 0.365 -14.487 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.523 -12.157 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.896 -11.504 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.262 -12.346 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.630 -13.086 -2.295 1.00 0.00 H new ATOM 1391 N ILE A 95 2.076 -13.235 -5.024 1.00 0.00 N ATOM 1392 CA ILE A 95 2.413 -13.438 -6.438 1.00 0.00 C ATOM 1393 C ILE A 95 3.885 -13.867 -6.537 1.00 0.00 C ATOM 1394 O ILE A 95 4.785 -13.095 -6.199 1.00 0.00 O ATOM 1395 CB ILE A 95 2.113 -12.167 -7.274 1.00 0.00 C ATOM 1396 CG1 ILE A 95 0.604 -11.823 -7.230 1.00 0.00 C ATOM 1397 CG2 ILE A 95 2.588 -12.353 -8.731 1.00 0.00 C ATOM 1398 CD1 ILE A 95 0.195 -10.577 -8.029 1.00 0.00 C ATOM 0 H ILE A 95 2.725 -12.607 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 95 1.790 -14.228 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 95 2.663 -11.333 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.042 -12.677 -7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.310 -11.681 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.369 -11.451 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.662 -12.539 -8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.068 -13.201 -9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.880 -10.421 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.723 -9.706 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.451 -10.718 -9.079 1.00 0.00 H new ATOM 1410 N PHE A 96 4.132 -15.081 -7.037 1.00 0.00 N ATOM 1411 CA PHE A 96 5.464 -15.563 -7.407 1.00 0.00 C ATOM 1412 C PHE A 96 5.441 -16.113 -8.844 1.00 0.00 C ATOM 1413 O PHE A 96 4.576 -16.923 -9.183 1.00 0.00 O ATOM 1414 CB PHE A 96 6.015 -16.567 -6.383 1.00 0.00 C ATOM 1415 CG PHE A 96 7.360 -17.152 -6.784 1.00 0.00 C ATOM 1416 CD1 PHE A 96 7.411 -18.312 -7.581 1.00 0.00 C ATOM 1417 CD2 PHE A 96 8.559 -16.528 -6.389 1.00 0.00 C ATOM 1418 CE1 PHE A 96 8.652 -18.834 -7.992 1.00 0.00 C ATOM 1419 CE2 PHE A 96 9.798 -17.043 -6.806 1.00 0.00 C ATOM 1420 CZ PHE A 96 9.845 -18.199 -7.605 1.00 0.00 C ATOM 0 H PHE A 96 3.397 -15.769 -7.199 1.00 0.00 H new ATOM 0 HA PHE A 96 6.160 -14.725 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.114 -16.073 -5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.297 -17.377 -6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.496 -18.802 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.526 -15.649 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.688 -19.723 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.714 -16.551 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.797 -18.599 -7.921 1.00 0.00 H new ATOM 1430 N GLU A 97 6.365 -15.653 -9.698 1.00 0.00 N ATOM 1431 CA GLU A 97 6.346 -15.927 -11.146 1.00 0.00 C ATOM 1432 C GLU A 97 7.730 -16.271 -11.709 1.00 0.00 C ATOM 1433 O GLU A 97 8.721 -15.626 -11.374 1.00 0.00 O ATOM 1434 CB GLU A 97 5.793 -14.715 -11.912 1.00 0.00 C ATOM 1435 CG GLU A 97 4.324 -14.384 -11.616 1.00 0.00 C ATOM 1436 CD GLU A 97 3.332 -15.501 -12.015 1.00 0.00 C ATOM 1437 OE1 GLU A 97 3.609 -16.284 -12.959 1.00 0.00 O ATOM 1438 OE2 GLU A 97 2.233 -15.572 -11.409 1.00 0.00 O ATOM 0 H GLU A 97 7.153 -15.076 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 97 5.702 -16.796 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.403 -13.843 -11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.902 -14.898 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.216 -14.181 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.055 -13.469 -12.144 1.00 0.00 H new ATOM 1445 N ASP A 98 7.780 -17.243 -12.617 1.00 0.00 N ATOM 1446 CA ASP A 98 8.972 -17.688 -13.347 1.00 0.00 C ATOM 1447 C ASP A 98 9.062 -17.063 -14.743 1.00 0.00 C ATOM 1448 O ASP A 98 8.367 -17.457 -15.679 1.00 0.00 O ATOM 1449 CB ASP A 98 9.033 -19.227 -13.385 1.00 0.00 C ATOM 1450 CG ASP A 98 7.823 -19.908 -14.061 1.00 0.00 C ATOM 1451 OD1 ASP A 98 6.669 -19.727 -13.595 1.00 0.00 O ATOM 1452 OD2 ASP A 98 8.028 -20.687 -15.024 1.00 0.00 O ATOM 0 H ASP A 98 6.948 -17.771 -12.880 1.00 0.00 H new ATOM 0 HA ASP A 98 9.851 -17.334 -12.808 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.940 -19.528 -13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.117 -19.598 -12.364 1.00 0.00 H new ATOM 1457 N TRP A 99 9.957 -16.080 -14.889 1.00 0.00 N ATOM 1458 CA TRP A 99 10.336 -15.525 -16.188 1.00 0.00 C ATOM 1459 C TRP A 99 11.603 -16.265 -16.628 1.00 0.00 C ATOM 1460 O TRP A 99 12.716 -15.892 -16.269 1.00 0.00 O ATOM 1461 CB TRP A 99 10.541 -14.006 -16.115 1.00 0.00 C ATOM 1462 CG TRP A 99 9.419 -13.127 -15.645 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.278 -13.496 -15.015 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.398 -11.669 -15.657 1.00 0.00 C ATOM 1465 NE1 TRP A 99 7.586 -12.368 -14.618 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.275 -11.219 -14.914 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.262 -10.681 -16.164 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.088 -9.878 -14.571 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.110 -9.330 -15.799 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.045 -8.933 -14.973 1.00 0.00 C ATOM 0 H TRP A 99 10.440 -15.646 -14.103 1.00 0.00 H new ATOM 0 HA TRP A 99 9.543 -15.669 -16.921 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.394 -13.823 -15.461 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.825 -13.667 -17.111 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.959 -14.514 -14.849 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.674 -12.387 -14.161 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.053 -10.963 -16.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.220 -9.573 -14.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.816 -8.595 -16.156 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.963 -7.906 -14.649 1.00 0.00 H new ATOM 1481 N GLN A 100 11.414 -17.348 -17.382 1.00 0.00 N ATOM 1482 CA GLN A 100 12.434 -18.218 -18.009 1.00 0.00 C ATOM 1483 C GLN A 100 13.373 -17.525 -19.034 1.00 0.00 C ATOM 1484 O GLN A 100 13.514 -17.946 -20.181 1.00 0.00 O ATOM 1485 CB GLN A 100 11.740 -19.497 -18.530 1.00 0.00 C ATOM 1486 CG GLN A 100 10.457 -19.308 -19.370 1.00 0.00 C ATOM 1487 CD GLN A 100 10.685 -18.824 -20.803 1.00 0.00 C ATOM 1488 OE1 GLN A 100 11.138 -19.560 -21.672 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.350 -17.587 -21.124 1.00 0.00 N ATOM 0 H GLN A 100 10.471 -17.674 -17.593 1.00 0.00 H new ATOM 0 HA GLN A 100 13.152 -18.496 -17.237 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.460 -20.052 -19.132 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.494 -20.122 -17.672 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.921 -20.256 -19.404 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.810 -18.594 -18.861 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.971 -16.961 -20.414 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.470 -17.258 -22.082 1.00 0.00 H new ATOM 1498 N LEU A 101 14.025 -16.443 -18.605 1.00 0.00 N ATOM 1499 CA LEU A 101 15.027 -15.665 -19.342 1.00 0.00 C ATOM 1500 C LEU A 101 16.395 -16.379 -19.379 1.00 0.00 C ATOM 1501 O LEU A 101 16.661 -17.301 -18.607 1.00 0.00 O ATOM 1502 CB LEU A 101 15.174 -14.288 -18.652 1.00 0.00 C ATOM 1503 CG LEU A 101 13.914 -13.411 -18.542 1.00 0.00 C ATOM 1504 CD1 LEU A 101 14.252 -12.199 -17.686 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.447 -12.906 -19.901 1.00 0.00 C ATOM 0 H LEU A 101 13.858 -16.061 -17.674 1.00 0.00 H new ATOM 0 HA LEU A 101 14.694 -15.550 -20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.556 -14.455 -17.645 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.933 -13.721 -19.191 1.00 0.00 H new ATOM 0 HG LEU A 101 13.118 -14.016 -18.107 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.372 -11.562 -17.594 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.566 -12.529 -16.696 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.060 -11.637 -18.154 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.555 -12.292 -19.774 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.236 -12.310 -20.358 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.214 -13.755 -20.544 1.00 0.00 H new ATOM 1517 N GLU A 102 17.295 -15.885 -20.230 1.00 0.00 N ATOM 1518 CA GLU A 102 18.715 -16.271 -20.267 1.00 0.00 C ATOM 1519 C GLU A 102 19.574 -15.261 -19.476 1.00 0.00 C ATOM 1520 O GLU A 102 19.196 -14.097 -19.331 1.00 0.00 O ATOM 1521 CB GLU A 102 19.138 -16.413 -21.740 1.00 0.00 C ATOM 1522 CG GLU A 102 20.545 -16.999 -21.912 1.00 0.00 C ATOM 1523 CD GLU A 102 20.766 -17.517 -23.347 1.00 0.00 C ATOM 1524 OE1 GLU A 102 21.147 -16.720 -24.236 1.00 0.00 O ATOM 1525 OE2 GLU A 102 20.560 -18.732 -23.598 1.00 0.00 O ATOM 0 H GLU A 102 17.055 -15.186 -20.933 1.00 0.00 H new ATOM 0 HA GLU A 102 18.871 -17.232 -19.778 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.421 -17.050 -22.257 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.098 -15.434 -22.218 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.289 -16.237 -21.680 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.691 -17.814 -21.203 1.00 0.00 H new ATOM 1532 N ASP A 103 20.730 -15.677 -18.951 1.00 0.00 N ATOM 1533 CA ASP A 103 21.708 -14.780 -18.324 1.00 0.00 C ATOM 1534 C ASP A 103 22.521 -14.010 -19.390 1.00 0.00 C ATOM 1535 O ASP A 103 23.186 -14.646 -20.216 1.00 0.00 O ATOM 1536 CB ASP A 103 22.615 -15.559 -17.359 1.00 0.00 C ATOM 1537 CG ASP A 103 23.414 -16.701 -18.021 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.791 -17.674 -18.513 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.668 -16.662 -17.988 1.00 0.00 O ATOM 0 H ASP A 103 21.017 -16.656 -18.949 1.00 0.00 H new ATOM 0 HA ASP A 103 21.168 -14.036 -17.738 1.00 0.00 H new ATOM 0 HB2 ASP A 103 23.314 -14.864 -16.895 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.002 -15.976 -16.560 1.00 0.00 H new ATOM 1544 N PRO A 104 22.485 -12.657 -19.411 1.00 0.00 N ATOM 1545 CA PRO A 104 23.065 -11.892 -20.522 1.00 0.00 C ATOM 1546 C PRO A 104 24.560 -11.571 -20.377 1.00 0.00 C ATOM 1547 O PRO A 104 25.220 -11.284 -21.373 1.00 0.00 O ATOM 1548 CB PRO A 104 22.208 -10.637 -20.597 1.00 0.00 C ATOM 1549 CG PRO A 104 21.846 -10.372 -19.141 1.00 0.00 C ATOM 1550 CD PRO A 104 21.652 -11.781 -18.585 1.00 0.00 C ATOM 0 HA PRO A 104 23.048 -12.479 -21.440 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.755 -9.802 -21.034 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.320 -10.792 -21.210 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.637 -9.835 -18.618 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.940 -9.772 -19.051 1.00 0.00 H new ATOM 0 HD2 PRO A 104 21.950 -11.832 -17.538 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.605 -12.079 -18.633 1.00 0.00 H new ATOM 1558 N ASP A 105 25.114 -11.635 -19.162 1.00 0.00 N ATOM 1559 CA ASP A 105 26.540 -11.431 -18.884 1.00 0.00 C ATOM 1560 C ASP A 105 27.435 -12.341 -19.748 1.00 0.00 C ATOM 1561 O ASP A 105 27.518 -13.553 -19.527 1.00 0.00 O ATOM 1562 CB ASP A 105 26.778 -11.668 -17.386 1.00 0.00 C ATOM 1563 CG ASP A 105 28.269 -11.650 -17.002 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.049 -10.873 -17.602 1.00 0.00 O ATOM 1565 OD2 ASP A 105 28.640 -12.375 -16.049 1.00 0.00 O ATOM 0 H ASP A 105 24.570 -11.835 -18.323 1.00 0.00 H new ATOM 0 HA ASP A 105 26.813 -10.409 -19.145 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.252 -10.903 -16.815 1.00 0.00 H new ATOM 0 HB3 ASP A 105 26.347 -12.629 -17.103 1.00 0.00 H new ATOM 1570 N GLY A 106 28.113 -11.742 -20.734 1.00 0.00 N ATOM 1571 CA GLY A 106 29.048 -12.432 -21.634 1.00 0.00 C ATOM 1572 C GLY A 106 28.422 -12.936 -22.943 1.00 0.00 C ATOM 1573 O GLY A 106 29.135 -13.496 -23.782 1.00 0.00 O ATOM 0 H GLY A 106 28.026 -10.745 -20.933 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.866 -11.754 -21.876 1.00 0.00 H new ATOM 0 HA3 GLY A 106 29.482 -13.280 -21.104 1.00 0.00 H new ATOM 1577 N GLN A 107 27.115 -12.730 -23.142 1.00 0.00 N ATOM 1578 CA GLN A 107 26.443 -12.955 -24.431 1.00 0.00 C ATOM 1579 C GLN A 107 26.731 -11.782 -25.394 1.00 0.00 C ATOM 1580 O GLN A 107 27.290 -10.751 -24.996 1.00 0.00 O ATOM 1581 CB GLN A 107 24.924 -13.128 -24.236 1.00 0.00 C ATOM 1582 CG GLN A 107 24.476 -14.066 -23.102 1.00 0.00 C ATOM 1583 CD GLN A 107 24.871 -15.534 -23.228 1.00 0.00 C ATOM 1584 OE1 GLN A 107 25.427 -16.006 -24.213 1.00 0.00 O ATOM 1585 NE2 GLN A 107 24.586 -16.309 -22.203 1.00 0.00 N ATOM 0 H GLN A 107 26.488 -12.400 -22.409 1.00 0.00 H new ATOM 0 HA GLN A 107 26.836 -13.874 -24.867 1.00 0.00 H new ATOM 0 HB2 GLN A 107 24.490 -12.145 -24.056 1.00 0.00 H new ATOM 0 HB3 GLN A 107 24.501 -13.497 -25.170 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.881 -13.684 -22.165 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.390 -14.012 -23.025 1.00 0.00 H new ATOM 0 HE21 GLN A 107 24.123 -15.919 -21.382 1.00 0.00 H new ATOM 0 HE22 GLN A 107 24.828 -17.300 -22.230 1.00 0.00 H new ATOM 1594 N SER A 108 26.328 -11.902 -26.664 1.00 0.00 N ATOM 1595 CA SER A 108 26.355 -10.771 -27.606 1.00 0.00 C ATOM 1596 C SER A 108 25.360 -9.675 -27.200 1.00 0.00 C ATOM 1597 O SER A 108 24.362 -9.936 -26.526 1.00 0.00 O ATOM 1598 CB SER A 108 26.086 -11.255 -29.036 1.00 0.00 C ATOM 1599 OG SER A 108 24.763 -11.757 -29.153 1.00 0.00 O ATOM 0 H SER A 108 25.978 -12.772 -27.066 1.00 0.00 H new ATOM 0 HA SER A 108 27.352 -10.333 -27.573 1.00 0.00 H new ATOM 0 HB2 SER A 108 26.232 -10.434 -29.737 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.801 -12.033 -29.303 1.00 0.00 H new ATOM 0 HG SER A 108 24.608 -12.060 -30.072 1.00 0.00 H new ATOM 1605 N LEU A 109 25.595 -8.434 -27.643 1.00 0.00 N ATOM 1606 CA LEU A 109 24.713 -7.307 -27.298 1.00 0.00 C ATOM 1607 C LEU A 109 23.308 -7.480 -27.888 1.00 0.00 C ATOM 1608 O LEU A 109 22.344 -7.069 -27.263 1.00 0.00 O ATOM 1609 CB LEU A 109 25.361 -5.963 -27.697 1.00 0.00 C ATOM 1610 CG LEU A 109 26.332 -5.408 -26.633 1.00 0.00 C ATOM 1611 CD1 LEU A 109 27.582 -6.262 -26.419 1.00 0.00 C ATOM 1612 CD2 LEU A 109 26.793 -4.003 -27.024 1.00 0.00 C ATOM 0 H LEU A 109 26.384 -8.183 -28.239 1.00 0.00 H new ATOM 0 HA LEU A 109 24.586 -7.297 -26.215 1.00 0.00 H new ATOM 0 HB2 LEU A 109 25.899 -6.093 -28.636 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.575 -5.230 -27.878 1.00 0.00 H new ATOM 0 HG LEU A 109 25.765 -5.409 -25.702 1.00 0.00 H new ATOM 0 HD11 LEU A 109 28.211 -5.802 -25.656 1.00 0.00 H new ATOM 0 HD12 LEU A 109 27.289 -7.261 -26.095 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.139 -6.333 -27.353 1.00 0.00 H new ATOM 0 HD21 LEU A 109 27.478 -3.621 -26.267 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.302 -4.042 -27.987 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.928 -3.344 -27.097 1.00 0.00 H new ATOM 1624 N GLU A 110 23.153 -8.192 -29.004 1.00 0.00 N ATOM 1625 CA GLU A 110 21.836 -8.585 -29.535 1.00 0.00 C ATOM 1626 C GLU A 110 21.034 -9.434 -28.538 1.00 0.00 C ATOM 1627 O GLU A 110 19.838 -9.212 -28.348 1.00 0.00 O ATOM 1628 CB GLU A 110 22.026 -9.388 -30.824 1.00 0.00 C ATOM 1629 CG GLU A 110 22.600 -8.551 -31.977 1.00 0.00 C ATOM 1630 CD GLU A 110 22.692 -9.381 -33.271 1.00 0.00 C ATOM 1631 OE1 GLU A 110 21.711 -9.409 -34.056 1.00 0.00 O ATOM 1632 OE2 GLU A 110 23.752 -10.006 -33.522 1.00 0.00 O ATOM 0 H GLU A 110 23.936 -8.516 -29.571 1.00 0.00 H new ATOM 0 HA GLU A 110 21.276 -7.669 -29.724 1.00 0.00 H new ATOM 0 HB2 GLU A 110 22.692 -10.228 -30.627 1.00 0.00 H new ATOM 0 HB3 GLU A 110 21.067 -9.806 -31.129 1.00 0.00 H new ATOM 0 HG2 GLU A 110 21.970 -7.678 -32.145 1.00 0.00 H new ATOM 0 HG3 GLU A 110 23.590 -8.183 -31.706 1.00 0.00 H new ATOM 1639 N VAL A 111 21.688 -10.366 -27.839 1.00 0.00 N ATOM 1640 CA VAL A 111 21.059 -11.192 -26.789 1.00 0.00 C ATOM 1641 C VAL A 111 20.825 -10.362 -25.526 1.00 0.00 C ATOM 1642 O VAL A 111 19.770 -10.468 -24.901 1.00 0.00 O ATOM 1643 CB VAL A 111 21.903 -12.447 -26.496 1.00 0.00 C ATOM 1644 CG1 VAL A 111 21.356 -13.261 -25.316 1.00 0.00 C ATOM 1645 CG2 VAL A 111 21.933 -13.373 -27.717 1.00 0.00 C ATOM 0 H VAL A 111 22.676 -10.575 -27.982 1.00 0.00 H new ATOM 0 HA VAL A 111 20.088 -11.532 -27.150 1.00 0.00 H new ATOM 0 HB VAL A 111 22.902 -12.086 -26.250 1.00 0.00 H new ATOM 0 HG11 VAL A 111 21.988 -14.134 -25.152 1.00 0.00 H new ATOM 0 HG12 VAL A 111 21.352 -12.643 -24.418 1.00 0.00 H new ATOM 0 HG13 VAL A 111 20.339 -13.585 -25.538 1.00 0.00 H new ATOM 0 HG21 VAL A 111 22.534 -14.254 -27.491 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.917 -13.681 -27.965 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.369 -12.844 -28.564 1.00 0.00 H new ATOM 1655 N PHE A 112 21.758 -9.467 -25.194 1.00 0.00 N ATOM 1656 CA PHE A 112 21.637 -8.556 -24.047 1.00 0.00 C ATOM 1657 C PHE A 112 20.433 -7.605 -24.218 1.00 0.00 C ATOM 1658 O PHE A 112 19.637 -7.432 -23.297 1.00 0.00 O ATOM 1659 CB PHE A 112 22.981 -7.825 -23.824 1.00 0.00 C ATOM 1660 CG PHE A 112 23.383 -7.654 -22.376 1.00 0.00 C ATOM 1661 CD1 PHE A 112 22.552 -6.976 -21.464 1.00 0.00 C ATOM 1662 CD2 PHE A 112 24.588 -8.223 -21.924 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.920 -6.890 -20.111 1.00 0.00 C ATOM 1664 CE2 PHE A 112 24.949 -8.135 -20.574 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.127 -7.455 -19.664 1.00 0.00 C ATOM 0 H PHE A 112 22.627 -9.351 -25.716 1.00 0.00 H new ATOM 0 HA PHE A 112 21.429 -9.125 -23.141 1.00 0.00 H new ATOM 0 HB2 PHE A 112 23.767 -8.376 -24.341 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.923 -6.840 -24.288 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.633 -6.523 -21.804 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.238 -8.730 -22.622 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.271 -6.386 -19.410 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.865 -8.593 -20.232 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.419 -7.366 -18.628 1.00 0.00 H new ATOM 1675 N ARG A 113 20.219 -7.077 -25.432 1.00 0.00 N ATOM 1676 CA ARG A 113 19.017 -6.307 -25.815 1.00 0.00 C ATOM 1677 C ARG A 113 17.765 -7.185 -25.892 1.00 0.00 C ATOM 1678 O ARG A 113 16.718 -6.755 -25.424 1.00 0.00 O ATOM 1679 CB ARG A 113 19.255 -5.556 -27.143 1.00 0.00 C ATOM 1680 CG ARG A 113 20.352 -4.486 -27.012 1.00 0.00 C ATOM 1681 CD ARG A 113 20.513 -3.667 -28.299 1.00 0.00 C ATOM 1682 NE ARG A 113 21.621 -2.690 -28.188 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.693 -2.597 -28.952 1.00 0.00 C ATOM 1684 NH1 ARG A 113 22.962 -3.448 -29.904 1.00 0.00 N ATOM 1685 NH2 ARG A 113 23.532 -1.626 -28.771 1.00 0.00 N ATOM 0 H ARG A 113 20.889 -7.173 -26.195 1.00 0.00 H new ATOM 0 HA ARG A 113 18.836 -5.573 -25.029 1.00 0.00 H new ATOM 0 HB2 ARG A 113 19.536 -6.270 -27.918 1.00 0.00 H new ATOM 0 HB3 ARG A 113 18.326 -5.085 -27.465 1.00 0.00 H new ATOM 0 HG2 ARG A 113 20.110 -3.818 -26.185 1.00 0.00 H new ATOM 0 HG3 ARG A 113 21.299 -4.966 -26.767 1.00 0.00 H new ATOM 0 HD2 ARG A 113 20.701 -4.338 -29.137 1.00 0.00 H new ATOM 0 HD3 ARG A 113 19.583 -3.141 -28.515 1.00 0.00 H new ATOM 0 HE ARG A 113 21.547 -2.009 -27.432 1.00 0.00 H new ATOM 0 HH11 ARG A 113 22.330 -4.228 -30.084 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.804 -3.333 -30.468 1.00 0.00 H new ATOM 0 HH21 ARG A 113 23.363 -0.936 -28.039 1.00 0.00 H new ATOM 0 HH22 ARG A 113 24.361 -1.552 -29.360 1.00 0.00 H new ATOM 1699 N THR A 114 17.870 -8.427 -26.370 1.00 0.00 N ATOM 1700 CA THR A 114 16.741 -9.386 -26.411 1.00 0.00 C ATOM 1701 C THR A 114 16.165 -9.635 -25.020 1.00 0.00 C ATOM 1702 O THR A 114 14.957 -9.485 -24.844 1.00 0.00 O ATOM 1703 CB THR A 114 17.128 -10.726 -27.068 1.00 0.00 C ATOM 1704 OG1 THR A 114 17.431 -10.517 -28.432 1.00 0.00 O ATOM 1705 CG2 THR A 114 16.006 -11.774 -27.027 1.00 0.00 C ATOM 0 H THR A 114 18.740 -8.807 -26.743 1.00 0.00 H new ATOM 0 HA THR A 114 15.974 -8.921 -27.030 1.00 0.00 H new ATOM 0 HB THR A 114 17.980 -11.098 -26.499 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.209 -9.926 -28.507 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.347 -12.691 -27.507 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.741 -11.983 -25.991 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.132 -11.392 -27.555 1.00 0.00 H new ATOM 1713 N VAL A 115 16.985 -9.930 -23.998 1.00 0.00 N ATOM 1714 CA VAL A 115 16.444 -10.124 -22.647 1.00 0.00 C ATOM 1715 C VAL A 115 15.881 -8.821 -22.069 1.00 0.00 C ATOM 1716 O VAL A 115 14.875 -8.888 -21.377 1.00 0.00 O ATOM 1717 CB VAL A 115 17.429 -10.832 -21.710 1.00 0.00 C ATOM 1718 CG1 VAL A 115 17.821 -12.213 -22.247 1.00 0.00 C ATOM 1719 CG2 VAL A 115 18.695 -10.031 -21.419 1.00 0.00 C ATOM 0 H VAL A 115 17.996 -10.037 -24.078 1.00 0.00 H new ATOM 0 HA VAL A 115 15.599 -10.807 -22.737 1.00 0.00 H new ATOM 0 HB VAL A 115 16.889 -10.937 -20.769 1.00 0.00 H new ATOM 0 HG11 VAL A 115 18.520 -12.686 -21.558 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.929 -12.833 -22.342 1.00 0.00 H new ATOM 0 HG13 VAL A 115 18.292 -12.103 -23.224 1.00 0.00 H new ATOM 0 HG21 VAL A 115 19.340 -10.600 -20.749 1.00 0.00 H new ATOM 0 HG22 VAL A 115 19.224 -9.835 -22.352 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.427 -9.085 -20.948 1.00 0.00 H new ATOM 1729 N ARG A 116 16.421 -7.640 -22.429 1.00 0.00 N ATOM 1730 CA ARG A 116 15.828 -6.312 -22.114 1.00 0.00 C ATOM 1731 C ARG A 116 14.429 -6.165 -22.730 1.00 0.00 C ATOM 1732 O ARG A 116 13.507 -5.778 -22.030 1.00 0.00 O ATOM 1733 CB ARG A 116 16.829 -5.174 -22.479 1.00 0.00 C ATOM 1734 CG ARG A 116 16.256 -4.039 -23.356 1.00 0.00 C ATOM 1735 CD ARG A 116 17.289 -2.983 -23.771 1.00 0.00 C ATOM 1736 NE ARG A 116 16.988 -2.461 -25.132 1.00 0.00 N ATOM 1737 CZ ARG A 116 17.811 -1.802 -25.932 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.945 -1.359 -25.494 1.00 0.00 N ATOM 1739 NH2 ARG A 116 17.514 -1.588 -27.178 1.00 0.00 N ATOM 0 H ARG A 116 17.293 -7.574 -22.954 1.00 0.00 H new ATOM 0 HA ARG A 116 15.664 -6.227 -21.040 1.00 0.00 H new ATOM 0 HB2 ARG A 116 17.209 -4.739 -21.555 1.00 0.00 H new ATOM 0 HB3 ARG A 116 17.680 -5.615 -22.997 1.00 0.00 H new ATOM 0 HG2 ARG A 116 15.817 -4.475 -24.254 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.449 -3.548 -22.813 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.287 -2.163 -23.053 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.288 -3.418 -23.756 1.00 0.00 H new ATOM 0 HE ARG A 116 16.046 -2.629 -25.486 1.00 0.00 H new ATOM 0 HH11 ARG A 116 19.213 -1.516 -24.523 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.571 -0.852 -26.120 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.631 -1.930 -27.558 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.163 -1.078 -27.777 1.00 0.00 H new ATOM 1753 N GLY A 117 14.254 -6.524 -24.001 1.00 0.00 N ATOM 1754 CA GLY A 117 12.957 -6.475 -24.695 1.00 0.00 C ATOM 1755 C GLY A 117 11.933 -7.426 -24.072 1.00 0.00 C ATOM 1756 O GLY A 117 10.760 -7.079 -23.925 1.00 0.00 O ATOM 0 H GLY A 117 15.015 -6.862 -24.590 1.00 0.00 H new ATOM 0 HA2 GLY A 117 12.569 -5.457 -24.666 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.098 -6.733 -25.745 1.00 0.00 H new ATOM 1760 N GLN A 118 12.398 -8.588 -23.600 1.00 0.00 N ATOM 1761 CA GLN A 118 11.579 -9.520 -22.824 1.00 0.00 C ATOM 1762 C GLN A 118 11.211 -8.981 -21.440 1.00 0.00 C ATOM 1763 O GLN A 118 10.026 -8.964 -21.106 1.00 0.00 O ATOM 1764 CB GLN A 118 12.281 -10.872 -22.703 1.00 0.00 C ATOM 1765 CG GLN A 118 12.270 -11.647 -24.029 1.00 0.00 C ATOM 1766 CD GLN A 118 12.781 -13.066 -23.826 1.00 0.00 C ATOM 1767 OE1 GLN A 118 13.752 -13.511 -24.419 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.139 -13.822 -22.959 1.00 0.00 N ATOM 0 H GLN A 118 13.355 -8.907 -23.747 1.00 0.00 H new ATOM 0 HA GLN A 118 10.643 -9.645 -23.369 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.311 -10.718 -22.382 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.792 -11.467 -21.931 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.258 -11.674 -24.432 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.891 -11.133 -24.762 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.328 -13.453 -22.463 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.453 -14.777 -22.784 1.00 0.00 H new ATOM 1777 N VAL A 119 12.179 -8.509 -20.630 1.00 0.00 N ATOM 1778 CA VAL A 119 11.841 -7.962 -19.312 1.00 0.00 C ATOM 1779 C VAL A 119 10.922 -6.752 -19.437 1.00 0.00 C ATOM 1780 O VAL A 119 9.978 -6.685 -18.672 1.00 0.00 O ATOM 1781 CB VAL A 119 13.035 -7.591 -18.407 1.00 0.00 C ATOM 1782 CG1 VAL A 119 13.665 -8.830 -17.781 1.00 0.00 C ATOM 1783 CG2 VAL A 119 14.164 -6.739 -18.968 1.00 0.00 C ATOM 0 H VAL A 119 13.173 -8.497 -20.860 1.00 0.00 H new ATOM 0 HA VAL A 119 11.337 -8.792 -18.817 1.00 0.00 H new ATOM 0 HB VAL A 119 12.532 -6.942 -17.690 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.503 -8.533 -17.150 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.922 -9.350 -17.177 1.00 0.00 H new ATOM 0 HG13 VAL A 119 14.022 -9.494 -18.568 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.916 -6.577 -18.196 1.00 0.00 H new ATOM 0 HG22 VAL A 119 14.619 -7.251 -19.816 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.767 -5.778 -19.295 1.00 0.00 H new ATOM 1793 N LYS A 120 11.115 -5.855 -20.410 1.00 0.00 N ATOM 1794 CA LYS A 120 10.214 -4.716 -20.679 1.00 0.00 C ATOM 1795 C LYS A 120 8.743 -5.149 -20.727 1.00 0.00 C ATOM 1796 O LYS A 120 7.934 -4.680 -19.931 1.00 0.00 O ATOM 1797 CB LYS A 120 10.634 -4.034 -21.990 1.00 0.00 C ATOM 1798 CG LYS A 120 9.769 -2.798 -22.286 1.00 0.00 C ATOM 1799 CD LYS A 120 10.217 -2.119 -23.585 1.00 0.00 C ATOM 1800 CE LYS A 120 9.310 -0.913 -23.891 1.00 0.00 C ATOM 1801 NZ LYS A 120 9.660 -0.268 -25.190 1.00 0.00 N ATOM 0 H LYS A 120 11.912 -5.896 -21.045 1.00 0.00 H new ATOM 0 HA LYS A 120 10.302 -4.004 -19.858 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.682 -3.740 -21.928 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.550 -4.743 -22.813 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.722 -3.092 -22.366 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.840 -2.092 -21.458 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.253 -1.792 -23.495 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.178 -2.831 -24.409 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.270 -1.238 -23.916 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.396 -0.181 -23.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 9.026 0.539 -25.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 10.645 0.066 -25.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 9.553 -0.959 -25.960 1.00 0.00 H new ATOM 1815 N GLU A 121 8.417 -6.090 -21.612 1.00 0.00 N ATOM 1816 CA GLU A 121 7.039 -6.557 -21.822 1.00 0.00 C ATOM 1817 C GLU A 121 6.454 -7.238 -20.572 1.00 0.00 C ATOM 1818 O GLU A 121 5.306 -6.976 -20.199 1.00 0.00 O ATOM 1819 CB GLU A 121 7.019 -7.491 -23.041 1.00 0.00 C ATOM 1820 CG GLU A 121 5.599 -7.926 -23.431 1.00 0.00 C ATOM 1821 CD GLU A 121 5.612 -8.754 -24.729 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.806 -9.992 -24.664 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.420 -8.174 -25.826 1.00 0.00 O ATOM 0 H GLU A 121 9.102 -6.555 -22.208 1.00 0.00 H new ATOM 0 HA GLU A 121 6.399 -5.695 -22.012 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.486 -6.987 -23.887 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.619 -8.375 -22.826 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.161 -8.514 -22.625 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.969 -7.046 -23.563 1.00 0.00 H new ATOM 1830 N ARG A 122 7.251 -8.069 -19.884 1.00 0.00 N ATOM 1831 CA ARG A 122 6.803 -8.766 -18.664 1.00 0.00 C ATOM 1832 C ARG A 122 6.705 -7.826 -17.454 1.00 0.00 C ATOM 1833 O ARG A 122 5.765 -7.931 -16.673 1.00 0.00 O ATOM 1834 CB ARG A 122 7.702 -9.988 -18.408 1.00 0.00 C ATOM 1835 CG ARG A 122 7.574 -11.041 -19.526 1.00 0.00 C ATOM 1836 CD ARG A 122 8.176 -12.390 -19.116 1.00 0.00 C ATOM 1837 NE ARG A 122 7.277 -13.109 -18.182 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.314 -13.967 -18.491 1.00 0.00 C ATOM 1839 NH1 ARG A 122 6.038 -14.284 -19.723 1.00 0.00 N ATOM 1840 NH2 ARG A 122 5.597 -14.525 -17.560 1.00 0.00 N ATOM 0 H ARG A 122 8.213 -8.277 -20.151 1.00 0.00 H new ATOM 0 HA ARG A 122 5.786 -9.125 -18.821 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.740 -9.665 -18.331 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.437 -10.440 -17.452 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.522 -11.175 -19.779 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.074 -10.679 -20.424 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.349 -13.000 -20.003 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.146 -12.232 -18.644 1.00 0.00 H new ATOM 0 HE ARG A 122 7.415 -12.923 -17.189 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.570 -13.868 -20.488 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.290 -14.948 -19.923 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.773 -14.304 -16.580 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.859 -15.183 -17.810 1.00 0.00 H new ATOM 1854 N VAL A 123 7.594 -6.839 -17.353 1.00 0.00 N ATOM 1855 CA VAL A 123 7.548 -5.751 -16.361 1.00 0.00 C ATOM 1856 C VAL A 123 6.314 -4.874 -16.551 1.00 0.00 C ATOM 1857 O VAL A 123 5.644 -4.599 -15.560 1.00 0.00 O ATOM 1858 CB VAL A 123 8.801 -4.867 -16.420 1.00 0.00 C ATOM 1859 CG1 VAL A 123 8.596 -3.581 -15.629 1.00 0.00 C ATOM 1860 CG2 VAL A 123 10.012 -5.549 -15.783 1.00 0.00 C ATOM 0 H VAL A 123 8.396 -6.767 -17.979 1.00 0.00 H new ATOM 0 HA VAL A 123 7.502 -6.232 -15.384 1.00 0.00 H new ATOM 0 HB VAL A 123 8.974 -4.673 -17.479 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.498 -2.971 -15.686 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.756 -3.027 -16.047 1.00 0.00 H new ATOM 0 HG13 VAL A 123 8.387 -3.824 -14.587 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.877 -4.888 -15.847 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.798 -5.767 -14.737 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.226 -6.478 -16.311 1.00 0.00 H new ATOM 1870 N GLU A 124 6.005 -4.428 -17.776 1.00 0.00 N ATOM 1871 CA GLU A 124 4.807 -3.616 -18.056 1.00 0.00 C ATOM 1872 C GLU A 124 3.567 -4.324 -17.503 1.00 0.00 C ATOM 1873 O GLU A 124 2.870 -3.783 -16.652 1.00 0.00 O ATOM 1874 CB GLU A 124 4.624 -3.382 -19.569 1.00 0.00 C ATOM 1875 CG GLU A 124 5.522 -2.299 -20.167 1.00 0.00 C ATOM 1876 CD GLU A 124 5.222 -2.125 -21.669 1.00 0.00 C ATOM 1877 OE1 GLU A 124 5.760 -2.898 -22.499 1.00 0.00 O ATOM 1878 OE2 GLU A 124 4.440 -1.209 -22.030 1.00 0.00 O ATOM 0 H GLU A 124 6.575 -4.618 -18.600 1.00 0.00 H new ATOM 0 HA GLU A 124 4.937 -2.648 -17.573 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.813 -4.319 -20.092 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.584 -3.116 -19.757 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.362 -1.355 -19.645 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.569 -2.567 -20.027 1.00 0.00 H new ATOM 1885 N ASN A 125 3.372 -5.578 -17.906 1.00 0.00 N ATOM 1886 CA ASN A 125 2.297 -6.454 -17.438 1.00 0.00 C ATOM 1887 C ASN A 125 2.281 -6.608 -15.900 1.00 0.00 C ATOM 1888 O ASN A 125 1.217 -6.609 -15.289 1.00 0.00 O ATOM 1889 CB ASN A 125 2.472 -7.806 -18.161 1.00 0.00 C ATOM 1890 CG ASN A 125 1.302 -8.771 -18.003 1.00 0.00 C ATOM 1891 OD1 ASN A 125 0.176 -8.401 -17.699 1.00 0.00 O ATOM 1892 ND2 ASN A 125 1.527 -10.045 -18.235 1.00 0.00 N ATOM 0 H ASN A 125 3.979 -6.029 -18.591 1.00 0.00 H new ATOM 0 HA ASN A 125 1.327 -6.017 -17.677 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.628 -7.617 -19.223 1.00 0.00 H new ATOM 0 HB3 ASN A 125 3.375 -8.288 -17.787 1.00 0.00 H new ATOM 0 HD21 ASN A 125 0.765 -10.719 -18.161 1.00 0.00 H new ATOM 0 HD22 ASN A 125 2.464 -10.360 -18.489 1.00 0.00 H new ATOM 1899 N LEU A 126 3.452 -6.697 -15.254 1.00 0.00 N ATOM 1900 CA LEU A 126 3.578 -6.868 -13.802 1.00 0.00 C ATOM 1901 C LEU A 126 3.232 -5.583 -13.026 1.00 0.00 C ATOM 1902 O LEU A 126 2.340 -5.589 -12.181 1.00 0.00 O ATOM 1903 CB LEU A 126 4.997 -7.403 -13.505 1.00 0.00 C ATOM 1904 CG LEU A 126 5.297 -7.947 -12.097 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.541 -6.862 -11.051 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.198 -8.897 -11.624 1.00 0.00 C ATOM 0 H LEU A 126 4.351 -6.651 -15.734 1.00 0.00 H new ATOM 0 HA LEU A 126 2.847 -7.595 -13.449 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.208 -8.199 -14.220 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.704 -6.598 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 126 6.233 -8.496 -12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.745 -7.326 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.395 -6.254 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.657 -6.230 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.439 -9.264 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.246 -8.367 -11.595 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.124 -9.739 -12.312 1.00 0.00 H new ATOM 1918 N ILE A 127 3.920 -4.474 -13.317 1.00 0.00 N ATOM 1919 CA ILE A 127 3.777 -3.188 -12.624 1.00 0.00 C ATOM 1920 C ILE A 127 2.408 -2.539 -12.885 1.00 0.00 C ATOM 1921 O ILE A 127 1.823 -1.931 -11.990 1.00 0.00 O ATOM 1922 CB ILE A 127 4.979 -2.293 -13.030 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.650 -1.611 -11.824 1.00 0.00 C ATOM 1924 CG2 ILE A 127 4.702 -1.287 -14.160 1.00 0.00 C ATOM 1925 CD1 ILE A 127 4.731 -0.712 -10.992 1.00 0.00 C ATOM 0 H ILE A 127 4.613 -4.445 -14.064 1.00 0.00 H new ATOM 0 HA ILE A 127 3.800 -3.334 -11.544 1.00 0.00 H new ATOM 0 HB ILE A 127 5.687 -3.005 -13.454 1.00 0.00 H new ATOM 0 HG12 ILE A 127 6.064 -2.382 -11.174 1.00 0.00 H new ATOM 0 HG13 ILE A 127 6.488 -1.014 -12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 127 5.605 -0.713 -14.366 1.00 0.00 H new ATOM 0 HG22 ILE A 127 4.401 -1.824 -15.059 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.903 -0.610 -13.857 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.296 -0.278 -10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.336 0.086 -11.621 1.00 0.00 H new ATOM 0 HD13 ILE A 127 3.906 -1.303 -10.595 1.00 0.00 H new ATOM 1937 N ALA A 128 1.846 -2.714 -14.082 1.00 0.00 N ATOM 1938 CA ALA A 128 0.611 -2.037 -14.494 1.00 0.00 C ATOM 1939 C ALA A 128 -0.666 -2.608 -13.832 1.00 0.00 C ATOM 1940 O ALA A 128 -1.688 -1.921 -13.780 1.00 0.00 O ATOM 1941 CB ALA A 128 0.550 -2.036 -16.026 1.00 0.00 C ATOM 0 H ALA A 128 2.234 -3.330 -14.796 1.00 0.00 H new ATOM 0 HA ALA A 128 0.640 -1.009 -14.134 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.362 -1.537 -16.353 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.416 -1.508 -16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.552 -3.063 -16.391 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.604 -3.823 -13.258 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.682 -4.413 -12.426 1.00 0.00 C ATOM 1949 C LYS A 129 -1.809 -3.771 -11.036 1.00 0.00 C ATOM 1950 O LYS A 129 -2.868 -3.861 -10.413 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.438 -5.926 -12.274 1.00 0.00 C ATOM 1952 CG LYS A 129 -1.701 -6.678 -13.582 1.00 0.00 C ATOM 1953 CD LYS A 129 -1.317 -8.159 -13.431 1.00 0.00 C ATOM 1954 CE LYS A 129 -1.127 -8.835 -14.793 1.00 0.00 C ATOM 1955 NZ LYS A 129 -2.395 -8.962 -15.568 1.00 0.00 N ATOM 0 H LYS A 129 0.205 -4.436 -13.357 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.621 -4.218 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.410 -6.098 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -2.085 -6.322 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -2.753 -6.594 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -1.127 -6.227 -14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.396 -8.240 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -2.092 -8.681 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.407 -8.263 -15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.700 -9.826 -14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -2.201 -9.426 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -3.077 -9.532 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -2.793 -8.017 -15.740 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.734 -3.134 -10.559 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.597 -2.535 -9.216 1.00 0.00 C ATOM 1971 C ILE A 130 -0.361 -1.008 -9.259 1.00 0.00 C ATOM 1972 O ILE A 130 -0.045 -0.402 -8.232 1.00 0.00 O ATOM 1973 CB ILE A 130 0.472 -3.294 -8.396 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.839 -3.321 -9.119 1.00 0.00 C ATOM 1975 CG2 ILE A 130 -0.020 -4.720 -8.081 1.00 0.00 C ATOM 1976 CD1 ILE A 130 2.958 -4.019 -8.343 1.00 0.00 C ATOM 0 H ILE A 130 0.108 -3.013 -11.122 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.550 -2.651 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 130 0.622 -2.760 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.716 -3.819 -10.081 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.145 -2.296 -9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.739 -5.247 -7.503 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.943 -4.667 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.204 -5.255 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 130 3.878 -3.990 -8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.114 -3.509 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.679 -5.056 -8.157 1.00 0.00 H new ATOM 1988 N SER A 131 -0.539 -0.386 -10.436 1.00 0.00 N ATOM 1989 CA SER A 131 -0.416 1.065 -10.683 1.00 0.00 C ATOM 1990 C SER A 131 -1.781 1.763 -10.749 1.00 0.00 C ATOM 1991 O SER A 131 -1.992 2.735 -9.989 1.00 0.00 O ATOM 1992 CB SER A 131 0.380 1.329 -11.958 1.00 0.00 C ATOM 1993 OG SER A 131 1.699 0.852 -11.783 1.00 0.00 O ATOM 1994 OXT SER A 131 -2.640 1.345 -11.560 1.00 0.00 O ATOM 0 H SER A 131 -0.784 -0.902 -11.281 1.00 0.00 H new ATOM 0 HA SER A 131 0.122 1.488 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.091 0.832 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.392 2.396 -12.181 1.00 0.00 H new ATOM 0 HG SER A 131 1.706 -0.125 -11.860 1.00 0.00 H new TER 2000 SER A 131