USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 874 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 130:sc= -0.0488 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.428 K(o=0.85,f=-0.57) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.424 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 MET CE :methyl 165:sc= -0.0561 (180deg=-0.42) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc=-0.00948 (180deg=-0.144) USER MOD Single : A 14 THR OG1 : rot 40:sc= 0.562 USER MOD Single : A 15 THR OG1 : rot 29:sc= 0.143 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -62:sc= 0.133 USER MOD Single : A 31 GLN : amide:sc= 0.527 K(o=0.53,f=-0.31) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0096 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -110:sc= -1.2 USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0601 (180deg=-0.292) USER MOD Single : A 50 SER OG : rot -130:sc= 0.424 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0184 (180deg=-0.185) USER MOD Single : A 53 GLN : amide:sc= -0.0686 K(o=-0.069,f=-0.63) USER MOD Single : A 56 MET CE :methyl 163:sc= -0.0741 (180deg=-0.447) USER MOD Single : A 58 GLN : amide:sc= -0.515 K(o=-0.51,f=-6.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= 1.93 (180deg=-0.701!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0628 K(o=0.063,f=-1.8!) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.89! C(o=-3.2!,f=-1.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.47) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -137:sc= -0.164 (180deg=-1.35) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0323 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.785 15.011 -33.999 1.00 14.13 N ATOM 2 CA MET A 1 8.907 14.557 -32.584 1.00 4.54 C ATOM 3 C MET A 1 7.530 14.349 -31.940 1.00 55.54 C ATOM 4 O MET A 1 6.683 15.241 -31.962 1.00 11.15 O ATOM 5 CB MET A 1 9.721 15.571 -31.762 1.00 24.32 C ATOM 6 CG MET A 1 9.755 15.263 -30.269 1.00 24.12 C ATOM 7 SD MET A 1 10.258 13.564 -29.933 1.00 61.43 S ATOM 8 CE MET A 1 10.127 13.511 -28.149 1.00 51.15 C ATOM 0 H1 MET A 1 9.734 15.142 -34.405 1.00 14.13 H new ATOM 0 H2 MET A 1 8.269 14.296 -34.550 1.00 14.13 H new ATOM 0 H3 MET A 1 8.267 15.912 -34.031 1.00 14.13 H new ATOM 0 HA MET A 1 9.428 13.599 -32.590 1.00 4.54 H new ATOM 0 HB2 MET A 1 10.742 15.597 -32.142 1.00 24.32 H new ATOM 0 HB3 MET A 1 9.301 16.566 -31.909 1.00 24.32 H new ATOM 0 HG2 MET A 1 10.443 15.948 -29.774 1.00 24.12 H new ATOM 0 HG3 MET A 1 8.768 15.439 -29.841 1.00 24.12 H new ATOM 0 HE1 MET A 1 10.407 12.520 -27.793 1.00 51.15 H new ATOM 0 HE2 MET A 1 10.794 14.255 -27.713 1.00 51.15 H new ATOM 0 HE3 MET A 1 9.100 13.726 -27.853 1.00 51.15 H new ATOM 20 N MET A 2 7.317 13.168 -31.365 1.00 52.11 N ATOM 21 CA MET A 2 6.070 12.854 -30.656 1.00 62.20 C ATOM 22 C MET A 2 6.222 11.570 -29.824 1.00 2.31 C ATOM 23 O MET A 2 6.868 10.616 -30.253 1.00 3.35 O ATOM 24 CB MET A 2 4.908 12.699 -31.651 1.00 64.53 C ATOM 25 CG MET A 2 3.563 12.401 -30.995 1.00 24.12 C ATOM 26 SD MET A 2 3.101 13.635 -29.760 1.00 3.32 S ATOM 27 CE MET A 2 3.070 15.128 -30.752 1.00 33.24 C ATOM 0 H MET A 2 7.994 12.405 -31.374 1.00 52.11 H new ATOM 0 HA MET A 2 5.850 13.681 -29.981 1.00 62.20 H new ATOM 0 HB2 MET A 2 4.820 13.614 -32.236 1.00 64.53 H new ATOM 0 HB3 MET A 2 5.146 11.896 -32.349 1.00 64.53 H new ATOM 0 HG2 MET A 2 2.791 12.355 -31.763 1.00 24.12 H new ATOM 0 HG3 MET A 2 3.603 11.419 -30.524 1.00 24.12 H new ATOM 0 HE1 MET A 2 2.551 15.916 -30.207 1.00 33.24 H new ATOM 0 HE2 MET A 2 4.091 15.445 -30.964 1.00 33.24 H new ATOM 0 HE3 MET A 2 2.549 14.932 -31.689 1.00 33.24 H new ATOM 37 N ARG A 3 5.634 11.559 -28.631 1.00 71.13 N ATOM 38 CA ARG A 3 5.660 10.379 -27.758 1.00 75.31 C ATOM 39 C ARG A 3 4.332 9.611 -27.827 1.00 62.35 C ATOM 40 O ARG A 3 3.272 10.160 -27.525 1.00 64.25 O ATOM 41 CB ARG A 3 5.970 10.802 -26.307 1.00 53.52 C ATOM 42 CG ARG A 3 5.818 9.687 -25.259 1.00 3.21 C ATOM 43 CD ARG A 3 4.411 9.641 -24.659 1.00 30.20 C ATOM 44 NE ARG A 3 4.210 8.480 -23.794 1.00 45.14 N ATOM 45 CZ ARG A 3 3.077 8.192 -23.204 1.00 41.35 C ATOM 46 NH1 ARG A 3 2.055 8.978 -23.316 1.00 32.25 N ATOM 47 NH2 ARG A 3 2.977 7.121 -22.491 1.00 1.15 N ATOM 0 H ARG A 3 5.130 12.356 -28.241 1.00 71.13 H new ATOM 0 HA ARG A 3 6.448 9.711 -28.106 1.00 75.31 H new ATOM 0 HB2 ARG A 3 6.991 11.182 -26.265 1.00 53.52 H new ATOM 0 HB3 ARG A 3 5.311 11.627 -26.036 1.00 53.52 H new ATOM 0 HG2 ARG A 3 6.046 8.726 -25.719 1.00 3.21 H new ATOM 0 HG3 ARG A 3 6.546 9.839 -24.462 1.00 3.21 H new ATOM 0 HD2 ARG A 3 4.233 10.552 -24.087 1.00 30.20 H new ATOM 0 HD3 ARG A 3 3.676 9.622 -25.464 1.00 30.20 H new ATOM 0 HE ARG A 3 5.002 7.855 -23.640 1.00 45.14 H new ATOM 0 HH11 ARG A 3 2.127 9.832 -23.868 1.00 32.25 H new ATOM 0 HH12 ARG A 3 1.178 8.743 -22.852 1.00 32.25 H new ATOM 0 HH21 ARG A 3 3.780 6.500 -22.388 1.00 1.15 H new ATOM 0 HH22 ARG A 3 2.095 6.895 -22.031 1.00 1.15 H new ATOM 61 N LEU A 4 4.398 8.342 -28.225 1.00 43.23 N ATOM 62 CA LEU A 4 3.209 7.477 -28.278 1.00 14.03 C ATOM 63 C LEU A 4 3.346 6.287 -27.315 1.00 42.15 C ATOM 64 O LEU A 4 4.323 6.180 -26.569 1.00 41.52 O ATOM 65 CB LEU A 4 2.966 6.956 -29.707 1.00 35.34 C ATOM 66 CG LEU A 4 2.611 8.018 -30.766 1.00 2.30 C ATOM 67 CD1 LEU A 4 1.468 8.910 -30.285 1.00 71.21 C ATOM 68 CD2 LEU A 4 3.832 8.847 -31.149 1.00 21.24 C ATOM 0 H LEU A 4 5.261 7.884 -28.517 1.00 43.23 H new ATOM 0 HA LEU A 4 2.356 8.082 -27.972 1.00 14.03 H new ATOM 0 HB2 LEU A 4 3.861 6.429 -30.037 1.00 35.34 H new ATOM 0 HB3 LEU A 4 2.160 6.223 -29.672 1.00 35.34 H new ATOM 0 HG LEU A 4 2.274 7.495 -31.661 1.00 2.30 H new ATOM 0 HD11 LEU A 4 1.237 9.651 -31.051 1.00 71.21 H new ATOM 0 HD12 LEU A 4 0.586 8.299 -30.093 1.00 71.21 H new ATOM 0 HD13 LEU A 4 1.764 9.418 -29.367 1.00 71.21 H new ATOM 0 HD21 LEU A 4 3.549 9.587 -31.898 1.00 21.24 H new ATOM 0 HD22 LEU A 4 4.219 9.354 -30.265 1.00 21.24 H new ATOM 0 HD23 LEU A 4 4.602 8.193 -31.558 1.00 21.24 H new ATOM 80 N ALA A 5 2.355 5.402 -27.330 1.00 22.34 N ATOM 81 CA ALA A 5 2.391 4.186 -26.517 1.00 42.41 C ATOM 82 C ALA A 5 2.083 2.946 -27.369 1.00 70.32 C ATOM 83 O ALA A 5 0.939 2.495 -27.451 1.00 2.13 O ATOM 84 CB ALA A 5 1.416 4.304 -25.353 1.00 24.50 C ATOM 0 H ALA A 5 1.513 5.502 -27.897 1.00 22.34 H new ATOM 0 HA ALA A 5 3.397 4.068 -26.115 1.00 42.41 H new ATOM 0 HB1 ALA A 5 1.451 3.393 -24.755 1.00 24.50 H new ATOM 0 HB2 ALA A 5 1.692 5.157 -24.732 1.00 24.50 H new ATOM 0 HB3 ALA A 5 0.406 4.447 -25.737 1.00 24.50 H new ATOM 90 N ASN A 6 3.108 2.422 -28.034 1.00 54.21 N ATOM 91 CA ASN A 6 2.964 1.219 -28.857 1.00 42.14 C ATOM 92 C ASN A 6 2.997 -0.044 -27.984 1.00 5.23 C ATOM 93 O ASN A 6 4.008 -0.745 -27.909 1.00 41.40 O ATOM 94 CB ASN A 6 4.070 1.170 -29.921 1.00 23.44 C ATOM 95 CG ASN A 6 4.028 2.369 -30.851 1.00 34.23 C ATOM 96 OD1 ASN A 6 4.608 3.411 -30.569 1.00 31.55 O ATOM 97 ND2 ASN A 6 3.346 2.235 -31.969 1.00 42.35 N ATOM 0 H ASN A 6 4.051 2.811 -28.021 1.00 54.21 H new ATOM 0 HA ASN A 6 1.998 1.257 -29.360 1.00 42.14 H new ATOM 0 HB2 ASN A 6 5.042 1.128 -29.430 1.00 23.44 H new ATOM 0 HB3 ASN A 6 3.968 0.256 -30.506 1.00 23.44 H new ATOM 0 HD21 ASN A 6 3.290 3.011 -32.628 1.00 42.35 H new ATOM 0 HD22 ASN A 6 2.874 1.355 -32.176 1.00 42.35 H new ATOM 104 N GLY A 7 1.890 -0.308 -27.300 1.00 74.45 N ATOM 105 CA GLY A 7 1.813 -1.465 -26.419 1.00 34.32 C ATOM 106 C GLY A 7 0.398 -2.005 -26.268 1.00 51.44 C ATOM 107 O GLY A 7 -0.578 -1.257 -26.356 1.00 2.14 O ATOM 0 H GLY A 7 1.042 0.257 -27.338 1.00 74.45 H new ATOM 0 HA2 GLY A 7 2.457 -2.254 -26.807 1.00 34.32 H new ATOM 0 HA3 GLY A 7 2.199 -1.193 -25.437 1.00 34.32 H new ATOM 111 N ILE A 8 0.287 -3.308 -26.030 1.00 65.42 N ATOM 112 CA ILE A 8 -1.017 -3.968 -25.886 1.00 1.32 C ATOM 113 C ILE A 8 -1.258 -4.437 -24.444 1.00 22.31 C ATOM 114 O ILE A 8 -0.447 -4.184 -23.550 1.00 23.51 O ATOM 115 CB ILE A 8 -1.139 -5.186 -26.841 1.00 72.44 C ATOM 116 CG1 ILE A 8 -0.020 -6.210 -26.561 1.00 64.43 C ATOM 117 CG2 ILE A 8 -1.108 -4.726 -28.294 1.00 43.22 C ATOM 118 CD1 ILE A 8 -0.094 -7.452 -27.427 1.00 31.21 C ATOM 0 H ILE A 8 1.085 -3.935 -25.931 1.00 65.42 H new ATOM 0 HA ILE A 8 -1.772 -3.227 -26.148 1.00 1.32 H new ATOM 0 HB ILE A 8 -2.096 -5.676 -26.659 1.00 72.44 H new ATOM 0 HG12 ILE A 8 0.946 -5.729 -26.714 1.00 64.43 H new ATOM 0 HG13 ILE A 8 -0.066 -6.506 -25.513 1.00 64.43 H new ATOM 0 HG21 ILE A 8 -1.194 -5.591 -28.951 1.00 43.22 H new ATOM 0 HG22 ILE A 8 -1.940 -4.046 -28.478 1.00 43.22 H new ATOM 0 HG23 ILE A 8 -0.168 -4.212 -28.493 1.00 43.22 H new ATOM 0 HD11 ILE A 8 0.726 -8.123 -27.171 1.00 31.21 H new ATOM 0 HD12 ILE A 8 -1.044 -7.958 -27.257 1.00 31.21 H new ATOM 0 HD13 ILE A 8 -0.017 -7.169 -28.477 1.00 31.21 H new ATOM 130 N VAL A 9 -2.384 -5.112 -24.222 1.00 63.22 N ATOM 131 CA VAL A 9 -2.701 -5.676 -22.910 1.00 71.31 C ATOM 132 C VAL A 9 -1.961 -7.012 -22.685 1.00 72.32 C ATOM 133 O VAL A 9 -2.340 -8.056 -23.217 1.00 43.40 O ATOM 134 CB VAL A 9 -4.234 -5.862 -22.736 1.00 22.12 C ATOM 135 CG1 VAL A 9 -4.823 -6.713 -23.862 1.00 40.21 C ATOM 136 CG2 VAL A 9 -4.562 -6.457 -21.368 1.00 34.42 C ATOM 0 H VAL A 9 -3.094 -5.282 -24.935 1.00 63.22 H new ATOM 0 HA VAL A 9 -2.358 -4.968 -22.155 1.00 71.31 H new ATOM 0 HB VAL A 9 -4.695 -4.876 -22.793 1.00 22.12 H new ATOM 0 HG11 VAL A 9 -5.897 -6.824 -23.711 1.00 40.21 H new ATOM 0 HG12 VAL A 9 -4.640 -6.226 -24.820 1.00 40.21 H new ATOM 0 HG13 VAL A 9 -4.353 -7.696 -23.859 1.00 40.21 H new ATOM 0 HG21 VAL A 9 -5.641 -6.577 -21.273 1.00 34.42 H new ATOM 0 HG22 VAL A 9 -4.079 -7.429 -21.269 1.00 34.42 H new ATOM 0 HG23 VAL A 9 -4.200 -5.790 -20.585 1.00 34.42 H new ATOM 146 N LEU A 10 -0.879 -6.964 -21.913 1.00 5.22 N ATOM 147 CA LEU A 10 -0.077 -8.161 -21.634 1.00 52.41 C ATOM 148 C LEU A 10 -0.830 -9.130 -20.703 1.00 1.42 C ATOM 149 O LEU A 10 -1.336 -10.160 -21.154 1.00 24.31 O ATOM 150 CB LEU A 10 1.313 -7.793 -21.062 1.00 74.15 C ATOM 151 CG LEU A 10 1.363 -6.612 -20.066 1.00 64.41 C ATOM 152 CD1 LEU A 10 2.480 -6.818 -19.046 1.00 64.34 C ATOM 153 CD2 LEU A 10 1.573 -5.284 -20.803 1.00 12.44 C ATOM 0 H LEU A 10 -0.534 -6.113 -21.468 1.00 5.22 H new ATOM 0 HA LEU A 10 0.089 -8.674 -22.581 1.00 52.41 H new ATOM 0 HB2 LEU A 10 1.721 -8.674 -20.566 1.00 74.15 H new ATOM 0 HB3 LEU A 10 1.974 -7.562 -21.897 1.00 74.15 H new ATOM 0 HG LEU A 10 0.407 -6.574 -19.544 1.00 64.41 H new ATOM 0 HD11 LEU A 10 2.500 -5.977 -18.353 1.00 64.34 H new ATOM 0 HD12 LEU A 10 2.302 -7.740 -18.492 1.00 64.34 H new ATOM 0 HD13 LEU A 10 3.437 -6.885 -19.563 1.00 64.34 H new ATOM 0 HD21 LEU A 10 1.605 -4.468 -20.081 1.00 12.44 H new ATOM 0 HD22 LEU A 10 2.513 -5.318 -21.353 1.00 12.44 H new ATOM 0 HD23 LEU A 10 0.751 -5.120 -21.499 1.00 12.44 H new ATOM 165 N ASP A 11 -0.913 -8.805 -19.415 1.00 13.13 N ATOM 166 CA ASP A 11 -1.719 -9.592 -18.479 1.00 50.34 C ATOM 167 C ASP A 11 -3.191 -9.171 -18.518 1.00 54.21 C ATOM 168 O ASP A 11 -3.532 -8.105 -19.027 1.00 51.11 O ATOM 169 CB ASP A 11 -1.166 -9.479 -17.054 1.00 43.12 C ATOM 170 CG ASP A 11 -0.003 -10.423 -16.823 1.00 41.40 C ATOM 171 OD1 ASP A 11 -0.254 -11.590 -16.444 1.00 11.31 O ATOM 172 OD2 ASP A 11 1.156 -10.019 -17.033 1.00 54.11 O ATOM 0 H ASP A 11 -0.436 -8.007 -18.995 1.00 13.13 H new ATOM 0 HA ASP A 11 -1.660 -10.635 -18.791 1.00 50.34 H new ATOM 0 HB2 ASP A 11 -0.844 -8.454 -16.870 1.00 43.12 H new ATOM 0 HB3 ASP A 11 -1.959 -9.698 -16.338 1.00 43.12 H new ATOM 177 N LYS A 12 -4.049 -10.009 -17.954 1.00 42.15 N ATOM 178 CA LYS A 12 -5.499 -9.809 -18.028 1.00 35.42 C ATOM 179 C LYS A 12 -5.939 -8.573 -17.230 1.00 22.42 C ATOM 180 O LYS A 12 -5.471 -8.345 -16.112 1.00 72.20 O ATOM 181 CB LYS A 12 -6.242 -11.055 -17.508 1.00 24.54 C ATOM 182 CG LYS A 12 -6.030 -12.323 -18.341 1.00 64.41 C ATOM 183 CD LYS A 12 -4.593 -12.840 -18.265 1.00 24.51 C ATOM 184 CE LYS A 12 -4.403 -14.140 -19.034 1.00 61.25 C ATOM 185 NZ LYS A 12 -5.175 -15.257 -18.436 1.00 0.23 N ATOM 0 H LYS A 12 -3.769 -10.841 -17.435 1.00 42.15 H new ATOM 0 HA LYS A 12 -5.754 -9.647 -19.075 1.00 35.42 H new ATOM 0 HB2 LYS A 12 -5.921 -11.251 -16.485 1.00 24.54 H new ATOM 0 HB3 LYS A 12 -7.309 -10.836 -17.471 1.00 24.54 H new ATOM 0 HG2 LYS A 12 -6.711 -13.100 -17.994 1.00 64.41 H new ATOM 0 HG3 LYS A 12 -6.284 -12.118 -19.381 1.00 64.41 H new ATOM 0 HD2 LYS A 12 -3.916 -12.084 -18.662 1.00 24.51 H new ATOM 0 HD3 LYS A 12 -4.320 -12.995 -17.221 1.00 24.51 H new ATOM 0 HE2 LYS A 12 -4.714 -13.998 -20.069 1.00 61.25 H new ATOM 0 HE3 LYS A 12 -3.344 -14.399 -19.052 1.00 61.25 H new ATOM 0 HZ1 LYS A 12 -4.866 -16.157 -18.856 1.00 0.23 H new ATOM 0 HZ2 LYS A 12 -5.013 -15.281 -17.409 1.00 0.23 H new ATOM 0 HZ3 LYS A 12 -6.189 -15.118 -18.623 1.00 0.23 H new ATOM 199 N ASP A 13 -6.840 -7.784 -17.812 1.00 20.23 N ATOM 200 CA ASP A 13 -7.389 -6.608 -17.135 1.00 25.21 C ATOM 201 C ASP A 13 -8.141 -7.016 -15.856 1.00 12.23 C ATOM 202 O ASP A 13 -9.296 -7.442 -15.914 1.00 23.31 O ATOM 203 CB ASP A 13 -8.330 -5.838 -18.070 1.00 15.11 C ATOM 204 CG ASP A 13 -7.641 -5.374 -19.341 1.00 43.12 C ATOM 205 OD1 ASP A 13 -6.901 -4.371 -19.294 1.00 64.41 O ATOM 206 OD2 ASP A 13 -7.860 -5.997 -20.405 1.00 53.43 O ATOM 0 H ASP A 13 -7.206 -7.937 -18.752 1.00 20.23 H new ATOM 0 HA ASP A 13 -6.557 -5.960 -16.859 1.00 25.21 H new ATOM 0 HB2 ASP A 13 -9.176 -6.473 -18.331 1.00 15.11 H new ATOM 0 HB3 ASP A 13 -8.732 -4.973 -17.543 1.00 15.11 H new ATOM 211 N THR A 14 -7.467 -6.914 -14.712 1.00 52.13 N ATOM 212 CA THR A 14 -8.067 -7.268 -13.420 1.00 5.24 C ATOM 213 C THR A 14 -9.277 -6.381 -13.102 1.00 74.50 C ATOM 214 O THR A 14 -9.135 -5.193 -12.793 1.00 51.43 O ATOM 215 CB THR A 14 -7.039 -7.162 -12.267 1.00 51.43 C ATOM 216 OG1 THR A 14 -6.484 -5.836 -12.218 1.00 45.25 O ATOM 217 CG2 THR A 14 -5.915 -8.183 -12.434 1.00 13.14 C ATOM 0 H THR A 14 -6.502 -6.589 -14.650 1.00 52.13 H new ATOM 0 HA THR A 14 -8.398 -8.303 -13.504 1.00 5.24 H new ATOM 0 HB THR A 14 -7.560 -7.373 -11.333 1.00 51.43 H new ATOM 0 HG1 THR A 14 -7.189 -5.179 -12.396 1.00 45.25 H new ATOM 0 HG21 THR A 14 -5.209 -8.085 -11.610 1.00 13.14 H new ATOM 0 HG22 THR A 14 -6.334 -9.189 -12.434 1.00 13.14 H new ATOM 0 HG23 THR A 14 -5.399 -8.005 -13.377 1.00 13.14 H new ATOM 225 N THR A 15 -10.468 -6.962 -13.186 1.00 73.33 N ATOM 226 CA THR A 15 -11.717 -6.221 -12.969 1.00 42.31 C ATOM 227 C THR A 15 -12.089 -6.126 -11.482 1.00 61.12 C ATOM 228 O THR A 15 -12.150 -7.130 -10.772 1.00 43.21 O ATOM 229 CB THR A 15 -12.894 -6.864 -13.745 1.00 43.42 C ATOM 230 OG1 THR A 15 -13.100 -8.221 -13.318 1.00 71.11 O ATOM 231 CG2 THR A 15 -12.636 -6.840 -15.250 1.00 63.35 C ATOM 0 H THR A 15 -10.601 -7.950 -13.404 1.00 73.33 H new ATOM 0 HA THR A 15 -11.539 -5.213 -13.345 1.00 42.31 H new ATOM 0 HB THR A 15 -13.789 -6.279 -13.531 1.00 43.42 H new ATOM 0 HG1 THR A 15 -12.816 -8.317 -12.385 1.00 71.11 H new ATOM 0 HG21 THR A 15 -13.477 -7.297 -15.771 1.00 63.35 H new ATOM 0 HG22 THR A 15 -12.520 -5.809 -15.583 1.00 63.35 H new ATOM 0 HG23 THR A 15 -11.726 -7.397 -15.472 1.00 63.35 H new ATOM 239 N PHE A 16 -12.329 -4.902 -11.009 1.00 13.42 N ATOM 240 CA PHE A 16 -12.748 -4.671 -9.618 1.00 71.10 C ATOM 241 C PHE A 16 -13.917 -3.678 -9.549 1.00 25.14 C ATOM 242 O PHE A 16 -14.078 -2.831 -10.433 1.00 65.32 O ATOM 243 CB PHE A 16 -11.579 -4.135 -8.776 1.00 52.32 C ATOM 244 CG PHE A 16 -10.430 -5.103 -8.621 1.00 65.54 C ATOM 245 CD1 PHE A 16 -10.526 -6.180 -7.750 1.00 52.53 C ATOM 246 CD2 PHE A 16 -9.254 -4.931 -9.340 1.00 31.50 C ATOM 247 CE1 PHE A 16 -9.474 -7.063 -7.598 1.00 32.51 C ATOM 248 CE2 PHE A 16 -8.201 -5.812 -9.190 1.00 61.33 C ATOM 249 CZ PHE A 16 -8.312 -6.881 -8.320 1.00 25.01 C ATOM 0 H PHE A 16 -12.241 -4.052 -11.566 1.00 13.42 H new ATOM 0 HA PHE A 16 -13.073 -5.630 -9.214 1.00 71.10 H new ATOM 0 HB2 PHE A 16 -11.207 -3.218 -9.234 1.00 52.32 H new ATOM 0 HB3 PHE A 16 -11.951 -3.869 -7.787 1.00 52.32 H new ATOM 0 HD1 PHE A 16 -11.434 -6.329 -7.184 1.00 52.53 H new ATOM 0 HD2 PHE A 16 -9.162 -4.100 -10.023 1.00 31.50 H new ATOM 0 HE1 PHE A 16 -9.561 -7.895 -6.915 1.00 32.51 H new ATOM 0 HE2 PHE A 16 -7.291 -5.666 -9.752 1.00 61.33 H new ATOM 0 HZ PHE A 16 -7.490 -7.573 -8.206 1.00 25.01 H new ATOM 259 N GLY A 17 -14.734 -3.795 -8.502 1.00 15.55 N ATOM 260 CA GLY A 17 -15.813 -2.835 -8.270 1.00 55.23 C ATOM 261 C GLY A 17 -15.384 -1.697 -7.348 1.00 54.13 C ATOM 262 O GLY A 17 -14.591 -0.842 -7.742 1.00 54.40 O ATOM 0 H GLY A 17 -14.670 -4.538 -7.806 1.00 15.55 H new ATOM 0 HA2 GLY A 17 -16.142 -2.423 -9.224 1.00 55.23 H new ATOM 0 HA3 GLY A 17 -16.668 -3.351 -7.834 1.00 55.23 H new ATOM 266 N GLU A 18 -15.909 -1.677 -6.123 1.00 13.14 N ATOM 267 CA GLU A 18 -15.499 -0.682 -5.124 1.00 51.25 C ATOM 268 C GLU A 18 -14.559 -1.302 -4.073 1.00 12.43 C ATOM 269 O GLU A 18 -14.947 -2.185 -3.302 1.00 13.54 O ATOM 270 CB GLU A 18 -16.730 -0.048 -4.444 1.00 55.20 C ATOM 271 CG GLU A 18 -17.607 -1.039 -3.684 1.00 40.14 C ATOM 272 CD GLU A 18 -18.849 -0.394 -3.088 1.00 41.21 C ATOM 273 OE1 GLU A 18 -18.788 0.089 -1.937 1.00 52.25 O ATOM 274 OE2 GLU A 18 -19.899 -0.375 -3.768 1.00 21.23 O ATOM 0 H GLU A 18 -16.617 -2.335 -5.796 1.00 13.14 H new ATOM 0 HA GLU A 18 -14.951 0.104 -5.644 1.00 51.25 H new ATOM 0 HB2 GLU A 18 -16.391 0.724 -3.753 1.00 55.20 H new ATOM 0 HB3 GLU A 18 -17.335 0.447 -5.203 1.00 55.20 H new ATOM 0 HG2 GLU A 18 -17.908 -1.841 -4.358 1.00 40.14 H new ATOM 0 HG3 GLU A 18 -17.022 -1.496 -2.886 1.00 40.14 H new ATOM 281 N LEU A 19 -13.310 -0.850 -4.057 1.00 52.23 N ATOM 282 CA LEU A 19 -12.339 -1.311 -3.063 1.00 3.50 C ATOM 283 C LEU A 19 -12.374 -0.400 -1.833 1.00 23.40 C ATOM 284 O LEU A 19 -12.178 0.809 -1.942 1.00 53.12 O ATOM 285 CB LEU A 19 -10.924 -1.339 -3.663 1.00 40.44 C ATOM 286 CG LEU A 19 -10.745 -2.249 -4.892 1.00 20.41 C ATOM 287 CD1 LEU A 19 -9.313 -2.163 -5.424 1.00 75.40 C ATOM 288 CD2 LEU A 19 -11.116 -3.693 -4.556 1.00 51.31 C ATOM 0 H LEU A 19 -12.943 -0.166 -4.719 1.00 52.23 H new ATOM 0 HA LEU A 19 -12.605 -2.324 -2.761 1.00 3.50 H new ATOM 0 HB2 LEU A 19 -10.646 -0.323 -3.941 1.00 40.44 H new ATOM 0 HB3 LEU A 19 -10.226 -1.660 -2.890 1.00 40.44 H new ATOM 0 HG LEU A 19 -11.419 -1.901 -5.675 1.00 20.41 H new ATOM 0 HD11 LEU A 19 -9.208 -2.813 -6.292 1.00 75.40 H new ATOM 0 HD12 LEU A 19 -9.093 -1.135 -5.712 1.00 75.40 H new ATOM 0 HD13 LEU A 19 -8.617 -2.479 -4.647 1.00 75.40 H new ATOM 0 HD21 LEU A 19 -10.982 -4.318 -5.439 1.00 51.31 H new ATOM 0 HD22 LEU A 19 -10.474 -4.056 -3.753 1.00 51.31 H new ATOM 0 HD23 LEU A 19 -12.157 -3.736 -4.236 1.00 51.31 H new ATOM 300 N LYS A 20 -12.641 -0.968 -0.661 1.00 2.23 N ATOM 301 CA LYS A 20 -12.760 -0.162 0.558 1.00 1.43 C ATOM 302 C LYS A 20 -11.507 -0.258 1.442 1.00 10.44 C ATOM 303 O LYS A 20 -11.089 -1.346 1.845 1.00 64.53 O ATOM 304 CB LYS A 20 -14.021 -0.550 1.341 1.00 31.15 C ATOM 305 CG LYS A 20 -15.309 -0.260 0.573 1.00 62.04 C ATOM 306 CD LYS A 20 -16.553 -0.354 1.452 1.00 23.50 C ATOM 307 CE LYS A 20 -16.803 -1.767 1.969 1.00 61.44 C ATOM 308 NZ LYS A 20 -18.102 -1.864 2.684 1.00 50.53 N ATOM 0 H LYS A 20 -12.778 -1.970 -0.526 1.00 2.23 H new ATOM 0 HA LYS A 20 -12.850 0.880 0.252 1.00 1.43 H new ATOM 0 HB2 LYS A 20 -13.980 -1.612 1.584 1.00 31.15 H new ATOM 0 HB3 LYS A 20 -14.037 -0.007 2.286 1.00 31.15 H new ATOM 0 HG2 LYS A 20 -15.251 0.738 0.138 1.00 62.04 H new ATOM 0 HG3 LYS A 20 -15.400 -0.964 -0.255 1.00 62.04 H new ATOM 0 HD2 LYS A 20 -16.447 0.325 2.298 1.00 23.50 H new ATOM 0 HD3 LYS A 20 -17.421 -0.021 0.883 1.00 23.50 H new ATOM 0 HE2 LYS A 20 -16.793 -2.468 1.134 1.00 61.44 H new ATOM 0 HE3 LYS A 20 -15.995 -2.058 2.640 1.00 61.44 H new ATOM 0 HZ1 LYS A 20 -18.240 -2.838 3.022 1.00 50.53 H new ATOM 0 HZ2 LYS A 20 -18.101 -1.213 3.495 1.00 50.53 H new ATOM 0 HZ3 LYS A 20 -18.875 -1.610 2.036 1.00 50.53 H new ATOM 322 N PHE A 21 -10.921 0.905 1.726 1.00 61.50 N ATOM 323 CA PHE A 21 -9.708 1.018 2.543 1.00 11.44 C ATOM 324 C PHE A 21 -9.976 0.626 4.004 1.00 61.15 C ATOM 325 O PHE A 21 -11.048 0.898 4.538 1.00 61.23 O ATOM 326 CB PHE A 21 -9.190 2.465 2.470 1.00 13.41 C ATOM 327 CG PHE A 21 -7.877 2.705 3.179 1.00 4.51 C ATOM 328 CD1 PHE A 21 -7.845 3.050 4.525 1.00 34.25 C ATOM 329 CD2 PHE A 21 -6.674 2.592 2.497 1.00 52.22 C ATOM 330 CE1 PHE A 21 -6.644 3.278 5.170 1.00 31.10 C ATOM 331 CE2 PHE A 21 -5.473 2.819 3.138 1.00 2.43 C ATOM 332 CZ PHE A 21 -5.458 3.161 4.476 1.00 53.13 C ATOM 0 H PHE A 21 -11.275 1.802 1.395 1.00 61.50 H new ATOM 0 HA PHE A 21 -8.957 0.331 2.152 1.00 11.44 H new ATOM 0 HB2 PHE A 21 -9.077 2.743 1.422 1.00 13.41 H new ATOM 0 HB3 PHE A 21 -9.943 3.128 2.896 1.00 13.41 H new ATOM 0 HD1 PHE A 21 -8.771 3.141 5.074 1.00 34.25 H new ATOM 0 HD2 PHE A 21 -6.677 2.323 1.451 1.00 52.22 H new ATOM 0 HE1 PHE A 21 -6.634 3.547 6.216 1.00 31.10 H new ATOM 0 HE2 PHE A 21 -4.545 2.729 2.593 1.00 2.43 H new ATOM 0 HZ PHE A 21 -4.518 3.337 4.978 1.00 53.13 H new ATOM 342 N SER A 22 -9.005 -0.023 4.646 1.00 33.31 N ATOM 343 CA SER A 22 -9.137 -0.400 6.062 1.00 51.43 C ATOM 344 C SER A 22 -7.990 0.166 6.912 1.00 42.42 C ATOM 345 O SER A 22 -8.219 0.970 7.815 1.00 44.12 O ATOM 346 CB SER A 22 -9.195 -1.926 6.205 1.00 72.52 C ATOM 347 OG SER A 22 -8.031 -2.537 5.674 1.00 50.22 O ATOM 0 H SER A 22 -8.122 -0.299 4.216 1.00 33.31 H new ATOM 0 HA SER A 22 -10.068 0.031 6.430 1.00 51.43 H new ATOM 0 HB2 SER A 22 -9.300 -2.191 7.257 1.00 72.52 H new ATOM 0 HB3 SER A 22 -10.076 -2.309 5.690 1.00 72.52 H new ATOM 0 HG SER A 22 -7.968 -2.343 4.716 1.00 50.22 H new ATOM 353 N ALA A 23 -6.755 -0.260 6.624 1.00 42.02 N ATOM 354 CA ALA A 23 -5.576 0.242 7.347 1.00 33.04 C ATOM 355 C ALA A 23 -4.273 0.048 6.548 1.00 31.43 C ATOM 356 O ALA A 23 -4.226 -0.709 5.572 1.00 3.35 O ATOM 357 CB ALA A 23 -5.464 -0.441 8.709 1.00 65.34 C ATOM 0 H ALA A 23 -6.544 -0.947 5.900 1.00 42.02 H new ATOM 0 HA ALA A 23 -5.714 1.314 7.486 1.00 33.04 H new ATOM 0 HB1 ALA A 23 -4.588 -0.062 9.235 1.00 65.34 H new ATOM 0 HB2 ALA A 23 -6.359 -0.232 9.296 1.00 65.34 H new ATOM 0 HB3 ALA A 23 -5.365 -1.517 8.569 1.00 65.34 H new ATOM 363 N LEU A 24 -3.222 0.755 6.967 1.00 54.14 N ATOM 364 CA LEU A 24 -1.872 0.575 6.410 1.00 73.24 C ATOM 365 C LEU A 24 -1.278 -0.774 6.849 1.00 2.21 C ATOM 366 O LEU A 24 -1.022 -0.994 8.035 1.00 0.24 O ATOM 367 CB LEU A 24 -0.963 1.732 6.865 1.00 42.33 C ATOM 368 CG LEU A 24 0.538 1.582 6.536 1.00 44.01 C ATOM 369 CD1 LEU A 24 0.769 1.492 5.028 1.00 3.13 C ATOM 370 CD2 LEU A 24 1.339 2.738 7.136 1.00 75.42 C ATOM 0 H LEU A 24 -3.277 1.465 7.697 1.00 54.14 H new ATOM 0 HA LEU A 24 -1.939 0.579 5.322 1.00 73.24 H new ATOM 0 HB2 LEU A 24 -1.325 2.653 6.408 1.00 42.33 H new ATOM 0 HB3 LEU A 24 -1.069 1.848 7.944 1.00 42.33 H new ATOM 0 HG LEU A 24 0.886 0.651 6.983 1.00 44.01 H new ATOM 0 HD11 LEU A 24 1.836 1.387 4.829 1.00 3.13 H new ATOM 0 HD12 LEU A 24 0.239 0.627 4.630 1.00 3.13 H new ATOM 0 HD13 LEU A 24 0.398 2.398 4.548 1.00 3.13 H new ATOM 0 HD21 LEU A 24 2.394 2.614 6.893 1.00 75.42 H new ATOM 0 HD22 LEU A 24 0.980 3.681 6.724 1.00 75.42 H new ATOM 0 HD23 LEU A 24 1.214 2.744 8.219 1.00 75.42 H new ATOM 382 N ARG A 25 -1.049 -1.669 5.888 1.00 63.12 N ATOM 383 CA ARG A 25 -0.547 -3.017 6.190 1.00 63.14 C ATOM 384 C ARG A 25 0.935 -2.988 6.597 1.00 71.35 C ATOM 385 O ARG A 25 1.297 -3.399 7.700 1.00 51.43 O ATOM 386 CB ARG A 25 -0.738 -3.939 4.975 1.00 14.22 C ATOM 387 CG ARG A 25 -0.423 -5.409 5.254 1.00 62.40 C ATOM 388 CD ARG A 25 -1.314 -5.966 6.360 1.00 60.23 C ATOM 389 NE ARG A 25 -1.187 -7.413 6.523 1.00 20.11 N ATOM 390 CZ ARG A 25 -2.204 -8.211 6.698 1.00 62.10 C ATOM 391 NH1 ARG A 25 -3.415 -7.750 6.606 1.00 42.24 N ATOM 392 NH2 ARG A 25 -2.014 -9.471 6.924 1.00 53.12 N ATOM 0 H ARG A 25 -1.201 -1.489 4.896 1.00 63.12 H new ATOM 0 HA ARG A 25 -1.121 -3.404 7.032 1.00 63.14 H new ATOM 0 HB2 ARG A 25 -1.768 -3.858 4.629 1.00 14.22 H new ATOM 0 HB3 ARG A 25 -0.101 -3.589 4.163 1.00 14.22 H new ATOM 0 HG2 ARG A 25 -0.562 -5.992 4.344 1.00 62.40 H new ATOM 0 HG3 ARG A 25 0.624 -5.511 5.541 1.00 62.40 H new ATOM 0 HD2 ARG A 25 -1.064 -5.477 7.301 1.00 60.23 H new ATOM 0 HD3 ARG A 25 -2.353 -5.721 6.140 1.00 60.23 H new ATOM 0 HE ARG A 25 -0.252 -7.821 6.499 1.00 20.11 H new ATOM 0 HH11 ARG A 25 -3.571 -6.764 6.397 1.00 42.24 H new ATOM 0 HH12 ARG A 25 -4.210 -8.374 6.743 1.00 42.24 H new ATOM 0 HH21 ARG A 25 -1.066 -9.844 6.966 1.00 53.12 H new ATOM 0 HH22 ARG A 25 -2.813 -10.091 7.060 1.00 53.12 H new ATOM 406 N ARG A 26 1.788 -2.500 5.701 1.00 14.45 N ATOM 407 CA ARG A 26 3.229 -2.449 5.963 1.00 35.34 C ATOM 408 C ARG A 26 3.951 -1.473 5.024 1.00 4.50 C ATOM 409 O ARG A 26 3.645 -1.397 3.835 1.00 14.13 O ATOM 410 CB ARG A 26 3.858 -3.847 5.821 1.00 0.15 C ATOM 411 CG ARG A 26 5.376 -3.848 5.994 1.00 53.32 C ATOM 412 CD ARG A 26 5.991 -5.236 5.823 1.00 40.12 C ATOM 413 NE ARG A 26 7.449 -5.199 5.960 1.00 41.23 N ATOM 414 CZ ARG A 26 8.258 -6.149 5.573 1.00 14.53 C ATOM 415 NH1 ARG A 26 7.803 -7.244 5.043 1.00 40.04 N ATOM 416 NH2 ARG A 26 9.533 -5.998 5.724 1.00 70.20 N ATOM 0 H ARG A 26 1.511 -2.135 4.790 1.00 14.45 H new ATOM 0 HA ARG A 26 3.350 -2.093 6.986 1.00 35.34 H new ATOM 0 HB2 ARG A 26 3.415 -4.514 6.561 1.00 0.15 H new ATOM 0 HB3 ARG A 26 3.611 -4.251 4.839 1.00 0.15 H new ATOM 0 HG2 ARG A 26 5.820 -3.167 5.268 1.00 53.32 H new ATOM 0 HG3 ARG A 26 5.624 -3.465 6.984 1.00 53.32 H new ATOM 0 HD2 ARG A 26 5.572 -5.915 6.566 1.00 40.12 H new ATOM 0 HD3 ARG A 26 5.727 -5.634 4.843 1.00 40.12 H new ATOM 0 HE ARG A 26 7.863 -4.371 6.389 1.00 41.23 H new ATOM 0 HH11 ARG A 26 6.798 -7.373 4.923 1.00 40.04 H new ATOM 0 HH12 ARG A 26 8.450 -7.975 4.747 1.00 40.04 H new ATOM 0 HH21 ARG A 26 9.899 -5.143 6.142 1.00 70.20 H new ATOM 0 HH22 ARG A 26 10.173 -6.734 5.425 1.00 70.20 H new ATOM 430 N GLU A 27 4.906 -0.729 5.572 1.00 31.51 N ATOM 431 CA GLU A 27 5.810 0.089 4.766 1.00 73.24 C ATOM 432 C GLU A 27 7.144 -0.644 4.596 1.00 22.23 C ATOM 433 O GLU A 27 7.971 -0.655 5.508 1.00 12.34 O ATOM 434 CB GLU A 27 6.056 1.455 5.426 1.00 61.42 C ATOM 435 CG GLU A 27 4.787 2.214 5.793 1.00 71.32 C ATOM 436 CD GLU A 27 5.085 3.573 6.406 1.00 5.12 C ATOM 437 OE1 GLU A 27 5.568 3.616 7.560 1.00 54.14 O ATOM 438 OE2 GLU A 27 4.848 4.598 5.734 1.00 5.14 O ATOM 0 H GLU A 27 5.076 -0.675 6.576 1.00 31.51 H new ATOM 0 HA GLU A 27 5.349 0.256 3.793 1.00 73.24 H new ATOM 0 HB2 GLU A 27 6.650 1.307 6.328 1.00 61.42 H new ATOM 0 HB3 GLU A 27 6.650 2.070 4.750 1.00 61.42 H new ATOM 0 HG2 GLU A 27 4.175 2.347 4.901 1.00 71.32 H new ATOM 0 HG3 GLU A 27 4.202 1.621 6.496 1.00 71.32 H new ATOM 445 N VAL A 28 7.344 -1.287 3.452 1.00 44.42 N ATOM 446 CA VAL A 28 8.576 -2.044 3.214 1.00 12.22 C ATOM 447 C VAL A 28 9.793 -1.107 3.095 1.00 54.25 C ATOM 448 O VAL A 28 10.156 -0.650 2.011 1.00 24.44 O ATOM 449 CB VAL A 28 8.458 -2.968 1.969 1.00 2.42 C ATOM 450 CG1 VAL A 28 7.493 -4.120 2.249 1.00 4.11 C ATOM 451 CG2 VAL A 28 8.008 -2.184 0.736 1.00 63.43 C ATOM 0 H VAL A 28 6.679 -1.303 2.679 1.00 44.42 H new ATOM 0 HA VAL A 28 8.729 -2.687 4.081 1.00 12.22 H new ATOM 0 HB VAL A 28 9.446 -3.379 1.763 1.00 2.42 H new ATOM 0 HG11 VAL A 28 7.422 -4.757 1.368 1.00 4.11 H new ATOM 0 HG12 VAL A 28 7.860 -4.706 3.092 1.00 4.11 H new ATOM 0 HG13 VAL A 28 6.508 -3.719 2.488 1.00 4.11 H new ATOM 0 HG21 VAL A 28 7.935 -2.858 -0.117 1.00 63.43 H new ATOM 0 HG22 VAL A 28 7.034 -1.734 0.927 1.00 63.43 H new ATOM 0 HG23 VAL A 28 8.734 -1.400 0.518 1.00 63.43 H new ATOM 461 N ARG A 29 10.404 -0.802 4.235 1.00 14.22 N ATOM 462 CA ARG A 29 11.522 0.141 4.285 1.00 61.12 C ATOM 463 C ARG A 29 12.851 -0.529 3.909 1.00 11.13 C ATOM 464 O ARG A 29 13.008 -1.744 4.039 1.00 20.12 O ATOM 465 CB ARG A 29 11.600 0.793 5.671 1.00 15.42 C ATOM 466 CG ARG A 29 10.317 1.535 6.051 1.00 33.41 C ATOM 467 CD ARG A 29 10.468 2.360 7.325 1.00 34.03 C ATOM 468 NE ARG A 29 9.217 3.046 7.676 1.00 53.42 N ATOM 469 CZ ARG A 29 9.108 4.334 7.889 1.00 51.41 C ATOM 470 NH1 ARG A 29 10.136 5.117 7.766 1.00 22.54 N ATOM 471 NH2 ARG A 29 7.955 4.841 8.185 1.00 30.53 N ATOM 0 H ARG A 29 10.145 -1.194 5.140 1.00 14.22 H new ATOM 0 HA ARG A 29 11.341 0.919 3.544 1.00 61.12 H new ATOM 0 HB2 ARG A 29 11.805 0.025 6.417 1.00 15.42 H new ATOM 0 HB3 ARG A 29 12.437 1.490 5.693 1.00 15.42 H new ATOM 0 HG2 ARG A 29 10.025 2.191 5.231 1.00 33.41 H new ATOM 0 HG3 ARG A 29 9.511 0.813 6.184 1.00 33.41 H new ATOM 0 HD2 ARG A 29 10.770 1.710 8.146 1.00 34.03 H new ATOM 0 HD3 ARG A 29 11.262 3.095 7.191 1.00 34.03 H new ATOM 0 HE ARG A 29 8.373 2.479 7.760 1.00 53.42 H new ATOM 0 HH11 ARG A 29 11.042 4.731 7.501 1.00 22.54 H new ATOM 0 HH12 ARG A 29 10.038 6.118 7.935 1.00 22.54 H new ATOM 0 HH21 ARG A 29 7.135 4.238 8.252 1.00 30.53 H new ATOM 0 HH22 ARG A 29 7.866 5.843 8.352 1.00 30.53 H new ATOM 485 N ILE A 30 13.797 0.280 3.446 1.00 52.44 N ATOM 486 CA ILE A 30 15.069 -0.221 2.917 1.00 70.41 C ATOM 487 C ILE A 30 15.945 -0.832 4.020 1.00 65.41 C ATOM 488 O ILE A 30 16.485 -0.118 4.863 1.00 25.22 O ATOM 489 CB ILE A 30 15.855 0.917 2.212 1.00 33.32 C ATOM 490 CG1 ILE A 30 14.971 1.603 1.154 1.00 63.15 C ATOM 491 CG2 ILE A 30 17.140 0.376 1.580 1.00 13.41 C ATOM 492 CD1 ILE A 30 15.630 2.782 0.461 1.00 22.24 C ATOM 0 H ILE A 30 13.709 1.296 3.425 1.00 52.44 H new ATOM 0 HA ILE A 30 14.828 -1.002 2.196 1.00 70.41 H new ATOM 0 HB ILE A 30 16.134 1.659 2.960 1.00 33.32 H new ATOM 0 HG12 ILE A 30 14.686 0.867 0.402 1.00 63.15 H new ATOM 0 HG13 ILE A 30 14.052 1.944 1.631 1.00 63.15 H new ATOM 0 HG21 ILE A 30 17.676 1.190 1.091 1.00 13.41 H new ATOM 0 HG22 ILE A 30 17.771 -0.060 2.355 1.00 13.41 H new ATOM 0 HG23 ILE A 30 16.890 -0.388 0.843 1.00 13.41 H new ATOM 0 HD11 ILE A 30 14.940 3.207 -0.268 1.00 22.24 H new ATOM 0 HD12 ILE A 30 15.890 3.540 1.200 1.00 22.24 H new ATOM 0 HD13 ILE A 30 16.534 2.446 -0.047 1.00 22.24 H new ATOM 504 N GLN A 31 16.063 -2.155 4.025 1.00 14.21 N ATOM 505 CA GLN A 31 16.954 -2.838 4.964 1.00 43.13 C ATOM 506 C GLN A 31 18.386 -2.871 4.409 1.00 31.33 C ATOM 507 O GLN A 31 18.662 -3.524 3.398 1.00 3.45 O ATOM 508 CB GLN A 31 16.452 -4.261 5.252 1.00 11.53 C ATOM 509 CG GLN A 31 17.215 -4.962 6.373 1.00 64.03 C ATOM 510 CD GLN A 31 16.627 -6.317 6.750 1.00 43.14 C ATOM 511 OE1 GLN A 31 16.059 -7.022 5.923 1.00 53.30 O ATOM 512 NE2 GLN A 31 16.757 -6.689 8.008 1.00 34.44 N ATOM 0 H GLN A 31 15.557 -2.776 3.394 1.00 14.21 H new ATOM 0 HA GLN A 31 16.958 -2.284 5.903 1.00 43.13 H new ATOM 0 HB2 GLN A 31 15.395 -4.218 5.514 1.00 11.53 H new ATOM 0 HB3 GLN A 31 16.531 -4.856 4.342 1.00 11.53 H new ATOM 0 HG2 GLN A 31 18.253 -5.097 6.067 1.00 64.03 H new ATOM 0 HG3 GLN A 31 17.223 -4.320 7.254 1.00 64.03 H new ATOM 0 HE21 GLN A 31 17.235 -6.081 8.673 1.00 34.44 H new ATOM 0 HE22 GLN A 31 16.380 -7.585 8.316 1.00 34.44 H new ATOM 521 N ASN A 32 19.281 -2.145 5.073 1.00 20.02 N ATOM 522 CA ASN A 32 20.679 -2.004 4.638 1.00 41.11 C ATOM 523 C ASN A 32 21.415 -3.355 4.572 1.00 23.41 C ATOM 524 O ASN A 32 20.960 -4.355 5.129 1.00 22.14 O ATOM 525 CB ASN A 32 21.415 -1.070 5.608 1.00 34.31 C ATOM 526 CG ASN A 32 20.760 0.296 5.720 1.00 1.45 C ATOM 527 OD1 ASN A 32 20.238 0.835 4.750 1.00 61.54 O ATOM 528 ND2 ASN A 32 20.759 0.858 6.913 1.00 50.10 N ATOM 0 H ASN A 32 19.063 -1.635 5.929 1.00 20.02 H new ATOM 0 HA ASN A 32 20.671 -1.589 3.630 1.00 41.11 H new ATOM 0 HB2 ASN A 32 21.451 -1.533 6.594 1.00 34.31 H new ATOM 0 HB3 ASN A 32 22.446 -0.948 5.276 1.00 34.31 H new ATOM 0 HD21 ASN A 32 20.315 1.766 7.048 1.00 50.10 H new ATOM 0 HD22 ASN A 32 21.202 0.384 7.700 1.00 50.10 H new ATOM 535 N GLU A 33 22.567 -3.372 3.898 1.00 12.22 N ATOM 536 CA GLU A 33 23.412 -4.572 3.825 1.00 51.14 C ATOM 537 C GLU A 33 23.782 -5.069 5.232 1.00 31.44 C ATOM 538 O GLU A 33 23.932 -6.268 5.468 1.00 53.34 O ATOM 539 CB GLU A 33 24.694 -4.272 3.031 1.00 71.43 C ATOM 540 CG GLU A 33 25.581 -3.208 3.673 1.00 72.42 C ATOM 541 CD GLU A 33 26.860 -2.955 2.891 1.00 1.30 C ATOM 542 OE1 GLU A 33 26.838 -2.127 1.957 1.00 3.01 O ATOM 543 OE2 GLU A 33 27.891 -3.592 3.197 1.00 33.13 O ATOM 0 H GLU A 33 22.939 -2.568 3.393 1.00 12.22 H new ATOM 0 HA GLU A 33 22.846 -5.352 3.317 1.00 51.14 H new ATOM 0 HB2 GLU A 33 25.267 -5.193 2.923 1.00 71.43 H new ATOM 0 HB3 GLU A 33 24.421 -3.947 2.027 1.00 71.43 H new ATOM 0 HG2 GLU A 33 25.021 -2.276 3.755 1.00 72.42 H new ATOM 0 HG3 GLU A 33 25.836 -3.518 4.687 1.00 72.42 H new ATOM 550 N ASP A 34 23.909 -4.124 6.162 1.00 64.43 N ATOM 551 CA ASP A 34 24.253 -4.420 7.557 1.00 21.31 C ATOM 552 C ASP A 34 23.109 -5.146 8.288 1.00 72.54 C ATOM 553 O ASP A 34 23.270 -5.601 9.421 1.00 0.41 O ATOM 554 CB ASP A 34 24.586 -3.109 8.280 1.00 2.44 C ATOM 555 CG ASP A 34 25.518 -2.228 7.466 1.00 73.02 C ATOM 556 OD1 ASP A 34 25.027 -1.514 6.569 1.00 74.32 O ATOM 557 OD2 ASP A 34 26.743 -2.251 7.713 1.00 54.13 O ATOM 0 H ASP A 34 23.777 -3.131 5.972 1.00 64.43 H new ATOM 0 HA ASP A 34 25.117 -5.085 7.562 1.00 21.31 H new ATOM 0 HB2 ASP A 34 23.664 -2.566 8.488 1.00 2.44 H new ATOM 0 HB3 ASP A 34 25.048 -3.333 9.242 1.00 2.44 H new ATOM 562 N GLY A 35 21.952 -5.244 7.636 1.00 21.01 N ATOM 563 CA GLY A 35 20.793 -5.886 8.245 1.00 71.14 C ATOM 564 C GLY A 35 19.913 -4.913 9.026 1.00 73.12 C ATOM 565 O GLY A 35 18.857 -5.294 9.537 1.00 4.23 O ATOM 0 H GLY A 35 21.794 -4.889 6.693 1.00 21.01 H new ATOM 0 HA2 GLY A 35 20.197 -6.361 7.466 1.00 71.14 H new ATOM 0 HA3 GLY A 35 21.132 -6.677 8.914 1.00 71.14 H new ATOM 569 N SER A 36 20.344 -3.654 9.110 1.00 21.30 N ATOM 570 CA SER A 36 19.589 -2.611 9.825 1.00 1.24 C ATOM 571 C SER A 36 18.502 -1.992 8.933 1.00 40.54 C ATOM 572 O SER A 36 18.604 -2.013 7.708 1.00 71.21 O ATOM 573 CB SER A 36 20.536 -1.510 10.329 1.00 55.03 C ATOM 574 OG SER A 36 21.259 -0.903 9.263 1.00 41.44 O ATOM 0 H SER A 36 21.215 -3.326 8.692 1.00 21.30 H new ATOM 0 HA SER A 36 19.103 -3.085 10.677 1.00 1.24 H new ATOM 0 HB2 SER A 36 19.960 -0.749 10.857 1.00 55.03 H new ATOM 0 HB3 SER A 36 21.237 -1.935 11.048 1.00 55.03 H new ATOM 0 HG SER A 36 21.849 -0.208 9.622 1.00 41.44 H new ATOM 580 N VAL A 37 17.461 -1.445 9.553 1.00 50.52 N ATOM 581 CA VAL A 37 16.339 -0.857 8.812 1.00 75.32 C ATOM 582 C VAL A 37 16.504 0.661 8.649 1.00 4.54 C ATOM 583 O VAL A 37 16.650 1.391 9.632 1.00 73.51 O ATOM 584 CB VAL A 37 14.992 -1.143 9.517 1.00 33.25 C ATOM 585 CG1 VAL A 37 13.819 -0.613 8.690 1.00 42.43 C ATOM 586 CG2 VAL A 37 14.841 -2.636 9.791 1.00 53.10 C ATOM 0 H VAL A 37 17.367 -1.394 10.567 1.00 50.52 H new ATOM 0 HA VAL A 37 16.338 -1.322 7.826 1.00 75.32 H new ATOM 0 HB VAL A 37 14.986 -0.619 10.473 1.00 33.25 H new ATOM 0 HG11 VAL A 37 12.883 -0.826 9.207 1.00 42.43 H new ATOM 0 HG12 VAL A 37 13.924 0.464 8.559 1.00 42.43 H new ATOM 0 HG13 VAL A 37 13.813 -1.098 7.714 1.00 42.43 H new ATOM 0 HG21 VAL A 37 13.888 -2.820 10.287 1.00 53.10 H new ATOM 0 HG22 VAL A 37 14.871 -3.184 8.849 1.00 53.10 H new ATOM 0 HG23 VAL A 37 15.655 -2.972 10.433 1.00 53.10 H new ATOM 596 N SER A 38 16.470 1.128 7.405 1.00 32.33 N ATOM 597 CA SER A 38 16.581 2.563 7.103 1.00 60.01 C ATOM 598 C SER A 38 15.217 3.259 7.179 1.00 1.42 C ATOM 599 O SER A 38 14.176 2.632 6.968 1.00 52.14 O ATOM 600 CB SER A 38 17.183 2.763 5.703 1.00 21.10 C ATOM 601 OG SER A 38 17.231 4.139 5.345 1.00 14.55 O ATOM 0 H SER A 38 16.366 0.535 6.581 1.00 32.33 H new ATOM 0 HA SER A 38 17.235 3.010 7.851 1.00 60.01 H new ATOM 0 HB2 SER A 38 18.189 2.344 5.676 1.00 21.10 H new ATOM 0 HB3 SER A 38 16.590 2.216 4.970 1.00 21.10 H new ATOM 0 HG SER A 38 17.620 4.231 4.450 1.00 14.55 H new ATOM 607 N ASP A 39 15.223 4.558 7.484 1.00 31.30 N ATOM 608 CA ASP A 39 13.990 5.353 7.504 1.00 51.54 C ATOM 609 C ASP A 39 13.335 5.390 6.114 1.00 3.03 C ATOM 610 O ASP A 39 12.108 5.452 5.992 1.00 35.13 O ATOM 611 CB ASP A 39 14.283 6.780 7.977 1.00 51.13 C ATOM 612 CG ASP A 39 14.842 6.818 9.385 1.00 21.35 C ATOM 613 OD1 ASP A 39 16.069 6.659 9.547 1.00 22.21 O ATOM 614 OD2 ASP A 39 14.061 7.007 10.341 1.00 64.14 O ATOM 0 H ASP A 39 16.065 5.083 7.720 1.00 31.30 H new ATOM 0 HA ASP A 39 13.298 4.880 8.200 1.00 51.54 H new ATOM 0 HB2 ASP A 39 14.993 7.248 7.294 1.00 51.13 H new ATOM 0 HB3 ASP A 39 13.367 7.369 7.937 1.00 51.13 H new ATOM 619 N GLU A 40 14.167 5.338 5.074 1.00 45.24 N ATOM 620 CA GLU A 40 13.692 5.387 3.687 1.00 30.23 C ATOM 621 C GLU A 40 12.839 4.159 3.332 1.00 55.42 C ATOM 622 O GLU A 40 13.128 3.038 3.751 1.00 32.22 O ATOM 623 CB GLU A 40 14.878 5.485 2.721 1.00 71.23 C ATOM 624 CG GLU A 40 15.739 6.724 2.932 1.00 24.54 C ATOM 625 CD GLU A 40 16.865 6.835 1.922 1.00 71.32 C ATOM 626 OE1 GLU A 40 16.620 7.339 0.807 1.00 12.13 O ATOM 627 OE2 GLU A 40 18.004 6.432 2.243 1.00 54.32 O ATOM 0 H GLU A 40 15.180 5.261 5.165 1.00 45.24 H new ATOM 0 HA GLU A 40 13.066 6.274 3.590 1.00 30.23 H new ATOM 0 HB2 GLU A 40 15.501 4.597 2.833 1.00 71.23 H new ATOM 0 HB3 GLU A 40 14.503 5.484 1.698 1.00 71.23 H new ATOM 0 HG2 GLU A 40 15.111 7.613 2.869 1.00 24.54 H new ATOM 0 HG3 GLU A 40 16.159 6.702 3.937 1.00 24.54 H new ATOM 634 N ILE A 41 11.802 4.377 2.527 1.00 20.14 N ATOM 635 CA ILE A 41 10.838 3.320 2.190 1.00 60.31 C ATOM 636 C ILE A 41 10.915 2.934 0.703 1.00 44.24 C ATOM 637 O ILE A 41 11.188 3.775 -0.153 1.00 50.12 O ATOM 638 CB ILE A 41 9.384 3.772 2.511 1.00 73.05 C ATOM 639 CG1 ILE A 41 9.300 4.360 3.930 1.00 32.25 C ATOM 640 CG2 ILE A 41 8.411 2.601 2.360 1.00 42.33 C ATOM 641 CD1 ILE A 41 7.932 4.907 4.286 1.00 41.33 C ATOM 0 H ILE A 41 11.603 5.278 2.092 1.00 20.14 H new ATOM 0 HA ILE A 41 11.099 2.453 2.797 1.00 60.31 H new ATOM 0 HB ILE A 41 9.103 4.548 1.799 1.00 73.05 H new ATOM 0 HG12 ILE A 41 9.571 3.588 4.650 1.00 32.25 H new ATOM 0 HG13 ILE A 41 10.036 5.158 4.027 1.00 32.25 H new ATOM 0 HG21 ILE A 41 7.399 2.937 2.589 1.00 42.33 H new ATOM 0 HG22 ILE A 41 8.447 2.228 1.337 1.00 42.33 H new ATOM 0 HG23 ILE A 41 8.692 1.803 3.047 1.00 42.33 H new ATOM 0 HD11 ILE A 41 7.952 5.304 5.301 1.00 41.33 H new ATOM 0 HD12 ILE A 41 7.666 5.703 3.590 1.00 41.33 H new ATOM 0 HD13 ILE A 41 7.193 4.108 4.223 1.00 41.33 H new ATOM 653 N LYS A 42 10.687 1.655 0.403 1.00 32.00 N ATOM 654 CA LYS A 42 10.540 1.206 -0.989 1.00 42.13 C ATOM 655 C LYS A 42 9.134 1.539 -1.507 1.00 21.24 C ATOM 656 O LYS A 42 8.970 2.138 -2.575 1.00 41.11 O ATOM 657 CB LYS A 42 10.794 -0.307 -1.102 1.00 5.34 C ATOM 658 CG LYS A 42 12.239 -0.724 -0.850 1.00 13.44 C ATOM 659 CD LYS A 42 13.171 -0.204 -1.943 1.00 33.45 C ATOM 660 CE LYS A 42 14.608 -0.664 -1.729 1.00 52.31 C ATOM 661 NZ LYS A 42 15.511 -0.157 -2.794 1.00 24.43 N ATOM 0 H LYS A 42 10.600 0.913 1.097 1.00 32.00 H new ATOM 0 HA LYS A 42 11.278 1.729 -1.597 1.00 42.13 H new ATOM 0 HB2 LYS A 42 10.150 -0.825 -0.391 1.00 5.34 H new ATOM 0 HB3 LYS A 42 10.501 -0.639 -2.098 1.00 5.34 H new ATOM 0 HG2 LYS A 42 12.565 -0.344 0.118 1.00 13.44 H new ATOM 0 HG3 LYS A 42 12.302 -1.811 -0.804 1.00 13.44 H new ATOM 0 HD2 LYS A 42 12.820 -0.550 -2.915 1.00 33.45 H new ATOM 0 HD3 LYS A 42 13.137 0.885 -1.961 1.00 33.45 H new ATOM 0 HE2 LYS A 42 14.960 -0.317 -0.758 1.00 52.31 H new ATOM 0 HE3 LYS A 42 14.643 -1.753 -1.710 1.00 52.31 H new ATOM 0 HZ1 LYS A 42 16.480 -0.490 -2.615 1.00 24.43 H new ATOM 0 HZ2 LYS A 42 15.189 -0.508 -3.718 1.00 24.43 H new ATOM 0 HZ3 LYS A 42 15.497 0.883 -2.795 1.00 24.43 H new ATOM 675 N GLU A 43 8.123 1.148 -0.730 1.00 31.22 N ATOM 676 CA GLU A 43 6.718 1.426 -1.066 1.00 61.44 C ATOM 677 C GLU A 43 5.780 1.091 0.113 1.00 65.20 C ATOM 678 O GLU A 43 6.191 0.465 1.093 1.00 54.14 O ATOM 679 CB GLU A 43 6.312 0.667 -2.343 1.00 30.14 C ATOM 680 CG GLU A 43 6.651 -0.818 -2.333 1.00 61.24 C ATOM 681 CD GLU A 43 6.525 -1.449 -3.711 1.00 0.21 C ATOM 682 OE1 GLU A 43 5.397 -1.802 -4.113 1.00 74.34 O ATOM 683 OE2 GLU A 43 7.553 -1.558 -4.417 1.00 61.24 O ATOM 0 H GLU A 43 8.248 0.634 0.142 1.00 31.22 H new ATOM 0 HA GLU A 43 6.619 2.494 -1.260 1.00 61.44 H new ATOM 0 HB2 GLU A 43 5.238 0.780 -2.491 1.00 30.14 H new ATOM 0 HB3 GLU A 43 6.802 1.132 -3.198 1.00 30.14 H new ATOM 0 HG2 GLU A 43 7.668 -0.954 -1.966 1.00 61.24 H new ATOM 0 HG3 GLU A 43 5.989 -1.335 -1.638 1.00 61.24 H new ATOM 690 N ARG A 44 4.526 1.527 0.013 1.00 25.44 N ATOM 691 CA ARG A 44 3.554 1.411 1.112 1.00 24.12 C ATOM 692 C ARG A 44 2.388 0.471 0.755 1.00 74.34 C ATOM 693 O ARG A 44 1.614 0.749 -0.161 1.00 70.41 O ATOM 694 CB ARG A 44 3.016 2.808 1.462 1.00 33.25 C ATOM 695 CG ARG A 44 4.051 3.715 2.123 1.00 21.55 C ATOM 696 CD ARG A 44 3.551 5.151 2.262 1.00 31.35 C ATOM 697 NE ARG A 44 4.322 5.897 3.254 1.00 14.24 N ATOM 698 CZ ARG A 44 4.667 7.151 3.147 1.00 11.51 C ATOM 699 NH1 ARG A 44 4.389 7.831 2.079 1.00 14.03 N ATOM 700 NH2 ARG A 44 5.297 7.727 4.117 1.00 11.54 N ATOM 0 H ARG A 44 4.151 1.970 -0.826 1.00 25.44 H new ATOM 0 HA ARG A 44 4.066 0.979 1.972 1.00 24.12 H new ATOM 0 HB2 ARG A 44 2.654 3.287 0.552 1.00 33.25 H new ATOM 0 HB3 ARG A 44 2.160 2.702 2.129 1.00 33.25 H new ATOM 0 HG2 ARG A 44 4.301 3.322 3.108 1.00 21.55 H new ATOM 0 HG3 ARG A 44 4.968 3.706 1.535 1.00 21.55 H new ATOM 0 HD2 ARG A 44 3.616 5.654 1.297 1.00 31.35 H new ATOM 0 HD3 ARG A 44 2.499 5.144 2.548 1.00 31.35 H new ATOM 0 HE ARG A 44 4.613 5.399 4.095 1.00 14.24 H new ATOM 0 HH11 ARG A 44 3.893 7.387 1.306 1.00 14.03 H new ATOM 0 HH12 ARG A 44 4.666 8.810 2.012 1.00 14.03 H new ATOM 0 HH21 ARG A 44 5.523 7.202 4.962 1.00 11.54 H new ATOM 0 HH22 ARG A 44 5.569 8.707 4.038 1.00 11.54 H new ATOM 714 N THR A 45 2.262 -0.626 1.503 1.00 31.43 N ATOM 715 CA THR A 45 1.206 -1.629 1.273 1.00 74.32 C ATOM 716 C THR A 45 -0.009 -1.400 2.190 1.00 65.35 C ATOM 717 O THR A 45 0.142 -1.209 3.399 1.00 34.22 O ATOM 718 CB THR A 45 1.747 -3.059 1.510 1.00 64.04 C ATOM 719 OG1 THR A 45 2.922 -3.279 0.712 1.00 73.13 O ATOM 720 CG2 THR A 45 0.697 -4.112 1.164 1.00 62.14 C ATOM 0 H THR A 45 2.882 -0.849 2.282 1.00 31.43 H new ATOM 0 HA THR A 45 0.889 -1.520 0.236 1.00 74.32 H new ATOM 0 HB THR A 45 1.996 -3.151 2.567 1.00 64.04 H new ATOM 0 HG1 THR A 45 3.259 -4.186 0.869 1.00 73.13 H new ATOM 0 HG21 THR A 45 1.107 -5.106 1.341 1.00 62.14 H new ATOM 0 HG22 THR A 45 -0.184 -3.966 1.789 1.00 62.14 H new ATOM 0 HG23 THR A 45 0.418 -4.016 0.115 1.00 62.14 H new ATOM 728 N TYR A 46 -1.210 -1.427 1.609 1.00 61.53 N ATOM 729 CA TYR A 46 -2.461 -1.208 2.357 1.00 34.35 C ATOM 730 C TYR A 46 -3.432 -2.398 2.204 1.00 54.13 C ATOM 731 O TYR A 46 -3.397 -3.116 1.200 1.00 40.14 O ATOM 732 CB TYR A 46 -3.162 0.065 1.852 1.00 11.12 C ATOM 733 CG TYR A 46 -2.300 1.315 1.877 1.00 35.42 C ATOM 734 CD1 TYR A 46 -2.213 2.105 3.018 1.00 20.21 C ATOM 735 CD2 TYR A 46 -1.582 1.712 0.753 1.00 62.22 C ATOM 736 CE1 TYR A 46 -1.437 3.247 3.039 1.00 13.05 C ATOM 737 CE2 TYR A 46 -0.806 2.852 0.769 1.00 54.35 C ATOM 738 CZ TYR A 46 -0.735 3.615 1.913 1.00 4.23 C ATOM 739 OH TYR A 46 0.044 4.750 1.930 1.00 3.22 O ATOM 0 H TYR A 46 -1.348 -1.600 0.613 1.00 61.53 H new ATOM 0 HA TYR A 46 -2.195 -1.104 3.409 1.00 34.35 H new ATOM 0 HB2 TYR A 46 -3.503 -0.105 0.831 1.00 11.12 H new ATOM 0 HB3 TYR A 46 -4.050 0.240 2.459 1.00 11.12 H new ATOM 0 HD1 TYR A 46 -2.762 1.820 3.903 1.00 20.21 H new ATOM 0 HD2 TYR A 46 -1.633 1.117 -0.147 1.00 62.22 H new ATOM 0 HE1 TYR A 46 -1.381 3.849 3.934 1.00 13.05 H new ATOM 0 HE2 TYR A 46 -0.256 3.145 -0.113 1.00 54.35 H new ATOM 0 HH TYR A 46 -0.366 5.437 1.363 1.00 3.22 H new ATOM 749 N ASP A 47 -4.307 -2.586 3.194 1.00 61.04 N ATOM 750 CA ASP A 47 -5.344 -3.623 3.128 1.00 0.41 C ATOM 751 C ASP A 47 -6.629 -3.101 2.454 1.00 12.13 C ATOM 752 O ASP A 47 -7.318 -2.231 2.998 1.00 23.53 O ATOM 753 CB ASP A 47 -5.687 -4.136 4.534 1.00 61.14 C ATOM 754 CG ASP A 47 -4.577 -4.959 5.162 1.00 64.30 C ATOM 755 OD1 ASP A 47 -4.075 -5.891 4.501 1.00 33.52 O ATOM 756 OD2 ASP A 47 -4.224 -4.702 6.331 1.00 60.31 O ATOM 0 H ASP A 47 -4.320 -2.035 4.052 1.00 61.04 H new ATOM 0 HA ASP A 47 -4.942 -4.439 2.527 1.00 0.41 H new ATOM 0 HB2 ASP A 47 -5.908 -3.286 5.179 1.00 61.14 H new ATOM 0 HB3 ASP A 47 -6.592 -4.741 4.481 1.00 61.14 H new ATOM 761 N LEU A 48 -6.952 -3.634 1.275 1.00 35.24 N ATOM 762 CA LEU A 48 -8.202 -3.285 0.583 1.00 24.20 C ATOM 763 C LEU A 48 -9.148 -4.494 0.519 1.00 12.02 C ATOM 764 O LEU A 48 -8.792 -5.553 -0.006 1.00 45.43 O ATOM 765 CB LEU A 48 -7.918 -2.765 -0.838 1.00 62.42 C ATOM 766 CG LEU A 48 -7.100 -1.461 -0.918 1.00 22.14 C ATOM 767 CD1 LEU A 48 -6.975 -0.990 -2.365 1.00 14.11 C ATOM 768 CD2 LEU A 48 -7.723 -0.370 -0.053 1.00 75.23 C ATOM 0 H LEU A 48 -6.370 -4.308 0.777 1.00 35.24 H new ATOM 0 HA LEU A 48 -8.686 -2.492 1.154 1.00 24.20 H new ATOM 0 HB2 LEU A 48 -7.387 -3.540 -1.390 1.00 62.42 H new ATOM 0 HB3 LEU A 48 -8.870 -2.608 -1.345 1.00 62.42 H new ATOM 0 HG LEU A 48 -6.101 -1.668 -0.535 1.00 22.14 H new ATOM 0 HD11 LEU A 48 -6.394 -0.068 -2.399 1.00 14.11 H new ATOM 0 HD12 LEU A 48 -6.473 -1.757 -2.955 1.00 14.11 H new ATOM 0 HD13 LEU A 48 -7.968 -0.808 -2.776 1.00 14.11 H new ATOM 0 HD21 LEU A 48 -7.126 0.539 -0.128 1.00 75.23 H new ATOM 0 HD22 LEU A 48 -8.737 -0.167 -0.397 1.00 75.23 H new ATOM 0 HD23 LEU A 48 -7.752 -0.701 0.985 1.00 75.23 H new ATOM 780 N LYS A 49 -10.355 -4.339 1.065 1.00 72.03 N ATOM 781 CA LYS A 49 -11.341 -5.428 1.087 1.00 65.21 C ATOM 782 C LYS A 49 -12.312 -5.353 -0.104 1.00 11.51 C ATOM 783 O LYS A 49 -12.738 -4.267 -0.513 1.00 54.04 O ATOM 784 CB LYS A 49 -12.139 -5.425 2.403 1.00 41.52 C ATOM 785 CG LYS A 49 -11.368 -5.958 3.614 1.00 74.32 C ATOM 786 CD LYS A 49 -10.241 -5.024 4.051 1.00 1.20 C ATOM 787 CE LYS A 49 -9.485 -5.575 5.256 1.00 64.20 C ATOM 788 NZ LYS A 49 -10.387 -5.835 6.413 1.00 54.23 N ATOM 0 H LYS A 49 -10.676 -3.473 1.498 1.00 72.03 H new ATOM 0 HA LYS A 49 -10.779 -6.359 1.009 1.00 65.21 H new ATOM 0 HB2 LYS A 49 -12.463 -4.406 2.614 1.00 41.52 H new ATOM 0 HB3 LYS A 49 -13.039 -6.025 2.269 1.00 41.52 H new ATOM 0 HG2 LYS A 49 -12.059 -6.102 4.445 1.00 74.32 H new ATOM 0 HG3 LYS A 49 -10.951 -6.936 3.373 1.00 74.32 H new ATOM 0 HD2 LYS A 49 -9.548 -4.878 3.223 1.00 1.20 H new ATOM 0 HD3 LYS A 49 -10.654 -4.046 4.297 1.00 1.20 H new ATOM 0 HE2 LYS A 49 -8.981 -6.500 4.975 1.00 64.20 H new ATOM 0 HE3 LYS A 49 -8.711 -4.867 5.552 1.00 64.20 H new ATOM 0 HZ1 LYS A 49 -9.818 -5.978 7.272 1.00 54.23 H new ATOM 0 HZ2 LYS A 49 -11.020 -5.021 6.549 1.00 54.23 H new ATOM 0 HZ3 LYS A 49 -10.953 -6.687 6.227 1.00 54.23 H new ATOM 802 N SER A 50 -12.650 -6.522 -0.652 1.00 33.41 N ATOM 803 CA SER A 50 -13.647 -6.632 -1.729 1.00 74.10 C ATOM 804 C SER A 50 -14.936 -7.284 -1.205 1.00 3.13 C ATOM 805 O SER A 50 -14.962 -8.489 -0.933 1.00 42.53 O ATOM 806 CB SER A 50 -13.099 -7.466 -2.897 1.00 20.31 C ATOM 807 OG SER A 50 -11.850 -6.967 -3.364 1.00 24.24 O ATOM 0 H SER A 50 -12.247 -7.415 -0.368 1.00 33.41 H new ATOM 0 HA SER A 50 -13.867 -5.625 -2.082 1.00 74.10 H new ATOM 0 HB2 SER A 50 -12.980 -8.502 -2.579 1.00 20.31 H new ATOM 0 HB3 SER A 50 -13.820 -7.464 -3.715 1.00 20.31 H new ATOM 0 HG SER A 50 -11.882 -6.865 -4.338 1.00 24.24 H new ATOM 813 N LYS A 51 -15.993 -6.485 -1.058 1.00 33.23 N ATOM 814 CA LYS A 51 -17.280 -6.977 -0.545 1.00 63.13 C ATOM 815 C LYS A 51 -17.851 -8.105 -1.420 1.00 71.12 C ATOM 816 O LYS A 51 -17.564 -8.193 -2.618 1.00 52.14 O ATOM 817 CB LYS A 51 -18.289 -5.826 -0.462 1.00 21.03 C ATOM 818 CG LYS A 51 -18.634 -5.219 -1.817 1.00 2.13 C ATOM 819 CD LYS A 51 -19.700 -4.137 -1.698 1.00 73.44 C ATOM 820 CE LYS A 51 -20.058 -3.547 -3.057 1.00 31.33 C ATOM 821 NZ LYS A 51 -20.616 -4.560 -3.985 1.00 30.23 N ATOM 0 H LYS A 51 -15.987 -5.491 -1.287 1.00 33.23 H new ATOM 0 HA LYS A 51 -17.102 -7.383 0.451 1.00 63.13 H new ATOM 0 HB2 LYS A 51 -19.203 -6.188 0.008 1.00 21.03 H new ATOM 0 HB3 LYS A 51 -17.886 -5.046 0.184 1.00 21.03 H new ATOM 0 HG2 LYS A 51 -17.735 -4.796 -2.265 1.00 2.13 H new ATOM 0 HG3 LYS A 51 -18.985 -6.003 -2.488 1.00 2.13 H new ATOM 0 HD2 LYS A 51 -20.594 -4.556 -1.236 1.00 73.44 H new ATOM 0 HD3 LYS A 51 -19.343 -3.345 -1.040 1.00 73.44 H new ATOM 0 HE2 LYS A 51 -20.783 -2.744 -2.922 1.00 31.33 H new ATOM 0 HE3 LYS A 51 -19.168 -3.102 -3.502 1.00 31.33 H new ATOM 0 HZ1 LYS A 51 -21.029 -4.083 -4.812 1.00 30.23 H new ATOM 0 HZ2 LYS A 51 -19.858 -5.200 -4.297 1.00 30.23 H new ATOM 0 HZ3 LYS A 51 -21.353 -5.108 -3.498 1.00 30.23 H new ATOM 835 N GLY A 52 -18.659 -8.970 -0.819 1.00 61.13 N ATOM 836 CA GLY A 52 -19.258 -10.080 -1.551 1.00 32.11 C ATOM 837 C GLY A 52 -18.311 -11.269 -1.692 1.00 74.24 C ATOM 838 O GLY A 52 -18.706 -12.417 -1.479 1.00 11.02 O ATOM 0 H GLY A 52 -18.914 -8.925 0.168 1.00 61.13 H new ATOM 0 HA2 GLY A 52 -20.165 -10.401 -1.038 1.00 32.11 H new ATOM 0 HA3 GLY A 52 -19.556 -9.738 -2.542 1.00 32.11 H new ATOM 842 N GLN A 53 -17.061 -10.993 -2.062 1.00 41.02 N ATOM 843 CA GLN A 53 -16.039 -12.039 -2.197 1.00 61.33 C ATOM 844 C GLN A 53 -15.369 -12.339 -0.843 1.00 65.11 C ATOM 845 O GLN A 53 -14.885 -13.449 -0.608 1.00 33.13 O ATOM 846 CB GLN A 53 -14.981 -11.603 -3.224 1.00 63.44 C ATOM 847 CG GLN A 53 -14.026 -12.716 -3.648 1.00 51.13 C ATOM 848 CD GLN A 53 -14.721 -13.841 -4.399 1.00 22.02 C ATOM 849 OE1 GLN A 53 -15.718 -13.627 -5.083 1.00 2.42 O ATOM 850 NE2 GLN A 53 -14.201 -15.046 -4.279 1.00 40.50 N ATOM 0 H GLN A 53 -16.728 -10.053 -2.275 1.00 41.02 H new ATOM 0 HA GLN A 53 -16.526 -12.951 -2.542 1.00 61.33 H new ATOM 0 HB2 GLN A 53 -15.487 -11.217 -4.109 1.00 63.44 H new ATOM 0 HB3 GLN A 53 -14.400 -10.781 -2.805 1.00 63.44 H new ATOM 0 HG2 GLN A 53 -13.243 -12.295 -4.279 1.00 51.13 H new ATOM 0 HG3 GLN A 53 -13.537 -13.125 -2.763 1.00 51.13 H new ATOM 0 HE21 GLN A 53 -13.372 -15.188 -3.702 1.00 40.50 H new ATOM 0 HE22 GLN A 53 -14.628 -15.836 -4.763 1.00 40.50 H new ATOM 859 N GLY A 54 -15.341 -11.338 0.040 1.00 12.00 N ATOM 860 CA GLY A 54 -14.735 -11.503 1.361 1.00 33.24 C ATOM 861 C GLY A 54 -13.230 -11.743 1.304 1.00 34.51 C ATOM 862 O GLY A 54 -12.699 -12.599 2.016 1.00 22.14 O ATOM 0 H GLY A 54 -15.728 -10.411 -0.135 1.00 12.00 H new ATOM 0 HA2 GLY A 54 -14.932 -10.613 1.958 1.00 33.24 H new ATOM 0 HA3 GLY A 54 -15.211 -12.341 1.870 1.00 33.24 H new ATOM 866 N ARG A 55 -12.538 -10.979 0.462 1.00 33.25 N ATOM 867 CA ARG A 55 -11.092 -11.158 0.258 1.00 53.14 C ATOM 868 C ARG A 55 -10.297 -9.910 0.672 1.00 64.35 C ATOM 869 O ARG A 55 -10.782 -8.778 0.568 1.00 62.32 O ATOM 870 CB ARG A 55 -10.796 -11.485 -1.215 1.00 31.30 C ATOM 871 CG ARG A 55 -11.172 -10.360 -2.171 1.00 4.14 C ATOM 872 CD ARG A 55 -10.832 -10.690 -3.619 1.00 25.51 C ATOM 873 NE ARG A 55 -11.287 -9.637 -4.526 1.00 52.00 N ATOM 874 CZ ARG A 55 -11.841 -9.853 -5.686 1.00 61.25 C ATOM 875 NH1 ARG A 55 -11.982 -11.057 -6.139 1.00 72.22 N ATOM 876 NH2 ARG A 55 -12.251 -8.852 -6.394 1.00 51.44 N ATOM 0 H ARG A 55 -12.950 -10.229 -0.093 1.00 33.25 H new ATOM 0 HA ARG A 55 -10.778 -11.988 0.891 1.00 53.14 H new ATOM 0 HB2 ARG A 55 -9.734 -11.705 -1.324 1.00 31.30 H new ATOM 0 HB3 ARG A 55 -11.339 -12.387 -1.496 1.00 31.30 H new ATOM 0 HG2 ARG A 55 -12.240 -10.158 -2.088 1.00 4.14 H new ATOM 0 HG3 ARG A 55 -10.652 -9.448 -1.877 1.00 4.14 H new ATOM 0 HD2 ARG A 55 -9.755 -10.820 -3.721 1.00 25.51 H new ATOM 0 HD3 ARG A 55 -11.295 -11.637 -3.897 1.00 25.51 H new ATOM 0 HE ARG A 55 -11.163 -8.669 -4.231 1.00 52.00 H new ATOM 0 HH11 ARG A 55 -11.658 -11.851 -5.587 1.00 72.22 H new ATOM 0 HH12 ARG A 55 -12.417 -11.212 -7.048 1.00 72.22 H new ATOM 0 HH21 ARG A 55 -12.140 -7.900 -6.044 1.00 51.44 H new ATOM 0 HH22 ARG A 55 -12.685 -9.014 -7.303 1.00 51.44 H new ATOM 890 N MET A 56 -9.071 -10.132 1.137 1.00 74.11 N ATOM 891 CA MET A 56 -8.152 -9.047 1.486 1.00 42.21 C ATOM 892 C MET A 56 -6.974 -9.016 0.499 1.00 13.31 C ATOM 893 O MET A 56 -6.122 -9.909 0.509 1.00 65.32 O ATOM 894 CB MET A 56 -7.631 -9.226 2.925 1.00 42.34 C ATOM 895 CG MET A 56 -8.710 -9.104 3.997 1.00 33.04 C ATOM 896 SD MET A 56 -10.000 -10.357 3.848 1.00 14.33 S ATOM 897 CE MET A 56 -9.062 -11.857 4.145 1.00 34.30 C ATOM 0 H MET A 56 -8.685 -11.065 1.283 1.00 74.11 H new ATOM 0 HA MET A 56 -8.691 -8.101 1.426 1.00 42.21 H new ATOM 0 HB2 MET A 56 -7.158 -10.205 3.010 1.00 42.34 H new ATOM 0 HB3 MET A 56 -6.858 -8.481 3.116 1.00 42.34 H new ATOM 0 HG2 MET A 56 -8.247 -9.183 4.981 1.00 33.04 H new ATOM 0 HG3 MET A 56 -9.164 -8.115 3.937 1.00 33.04 H new ATOM 0 HE1 MET A 56 -9.745 -12.672 4.385 1.00 34.30 H new ATOM 0 HE2 MET A 56 -8.492 -12.112 3.252 1.00 34.30 H new ATOM 0 HE3 MET A 56 -8.378 -11.699 4.979 1.00 34.30 H new ATOM 907 N ILE A 57 -6.941 -8.008 -0.373 1.00 42.40 N ATOM 908 CA ILE A 57 -5.868 -7.881 -1.370 1.00 72.00 C ATOM 909 C ILE A 57 -4.789 -6.896 -0.898 1.00 44.23 C ATOM 910 O ILE A 57 -5.091 -5.902 -0.229 1.00 45.12 O ATOM 911 CB ILE A 57 -6.419 -7.429 -2.749 1.00 71.44 C ATOM 912 CG1 ILE A 57 -7.067 -6.036 -2.651 1.00 43.12 C ATOM 913 CG2 ILE A 57 -7.429 -8.449 -3.274 1.00 42.50 C ATOM 914 CD1 ILE A 57 -7.621 -5.516 -3.966 1.00 63.41 C ATOM 0 H ILE A 57 -7.641 -7.267 -0.412 1.00 42.40 H new ATOM 0 HA ILE A 57 -5.422 -8.869 -1.483 1.00 72.00 H new ATOM 0 HB ILE A 57 -5.585 -7.367 -3.448 1.00 71.44 H new ATOM 0 HG12 ILE A 57 -7.873 -6.073 -1.919 1.00 43.12 H new ATOM 0 HG13 ILE A 57 -6.328 -5.329 -2.276 1.00 43.12 H new ATOM 0 HG21 ILE A 57 -7.808 -8.121 -4.242 1.00 42.50 H new ATOM 0 HG22 ILE A 57 -6.943 -9.418 -3.385 1.00 42.50 H new ATOM 0 HG23 ILE A 57 -8.257 -8.536 -2.571 1.00 42.50 H new ATOM 0 HD11 ILE A 57 -8.060 -4.530 -3.812 1.00 63.41 H new ATOM 0 HD12 ILE A 57 -6.816 -5.444 -4.697 1.00 63.41 H new ATOM 0 HD13 ILE A 57 -8.386 -6.200 -4.335 1.00 63.41 H new ATOM 926 N GLN A 58 -3.528 -7.175 -1.233 1.00 21.14 N ATOM 927 CA GLN A 58 -2.421 -6.314 -0.808 1.00 14.22 C ATOM 928 C GLN A 58 -2.030 -5.334 -1.920 1.00 22.42 C ATOM 929 O GLN A 58 -1.403 -5.712 -2.906 1.00 4.42 O ATOM 930 CB GLN A 58 -1.217 -7.173 -0.394 1.00 51.53 C ATOM 931 CG GLN A 58 -1.498 -8.074 0.803 1.00 75.42 C ATOM 932 CD GLN A 58 -1.829 -7.283 2.058 1.00 1.33 C ATOM 933 OE1 GLN A 58 -1.327 -6.186 2.264 1.00 54.43 O ATOM 934 NE2 GLN A 58 -2.685 -7.822 2.896 1.00 70.33 N ATOM 0 H GLN A 58 -3.249 -7.982 -1.791 1.00 21.14 H new ATOM 0 HA GLN A 58 -2.748 -5.729 0.052 1.00 14.22 H new ATOM 0 HB2 GLN A 58 -0.912 -7.790 -1.240 1.00 51.53 H new ATOM 0 HB3 GLN A 58 -0.378 -6.519 -0.158 1.00 51.53 H new ATOM 0 HG2 GLN A 58 -2.328 -8.739 0.567 1.00 75.42 H new ATOM 0 HG3 GLN A 58 -0.629 -8.704 0.992 1.00 75.42 H new ATOM 0 HE21 GLN A 58 -3.086 -8.738 2.696 1.00 70.33 H new ATOM 0 HE22 GLN A 58 -2.948 -7.324 3.746 1.00 70.33 H new ATOM 943 N VAL A 59 -2.413 -4.068 -1.757 1.00 62.43 N ATOM 944 CA VAL A 59 -2.114 -3.033 -2.756 1.00 70.15 C ATOM 945 C VAL A 59 -1.020 -2.086 -2.249 1.00 2.34 C ATOM 946 O VAL A 59 -1.120 -1.543 -1.151 1.00 74.00 O ATOM 947 CB VAL A 59 -3.383 -2.219 -3.120 1.00 33.32 C ATOM 948 CG1 VAL A 59 -3.051 -1.086 -4.093 1.00 70.21 C ATOM 949 CG2 VAL A 59 -4.456 -3.140 -3.703 1.00 33.30 C ATOM 0 H VAL A 59 -2.930 -3.731 -0.945 1.00 62.43 H new ATOM 0 HA VAL A 59 -1.758 -3.539 -3.653 1.00 70.15 H new ATOM 0 HB VAL A 59 -3.772 -1.768 -2.207 1.00 33.32 H new ATOM 0 HG11 VAL A 59 -3.959 -0.532 -4.330 1.00 70.21 H new ATOM 0 HG12 VAL A 59 -2.326 -0.414 -3.635 1.00 70.21 H new ATOM 0 HG13 VAL A 59 -2.631 -1.504 -5.008 1.00 70.21 H new ATOM 0 HG21 VAL A 59 -5.341 -2.555 -3.954 1.00 33.30 H new ATOM 0 HG22 VAL A 59 -4.073 -3.622 -4.603 1.00 33.30 H new ATOM 0 HG23 VAL A 59 -4.720 -3.901 -2.969 1.00 33.30 H new ATOM 959 N SER A 60 0.018 -1.884 -3.052 1.00 12.24 N ATOM 960 CA SER A 60 1.184 -1.100 -2.617 1.00 12.32 C ATOM 961 C SER A 60 1.518 0.038 -3.593 1.00 0.22 C ATOM 962 O SER A 60 1.543 -0.158 -4.809 1.00 63.33 O ATOM 963 CB SER A 60 2.393 -2.025 -2.462 1.00 44.34 C ATOM 964 OG SER A 60 3.513 -1.330 -1.943 1.00 1.32 O ATOM 0 H SER A 60 0.083 -2.247 -4.003 1.00 12.24 H new ATOM 0 HA SER A 60 0.936 -0.642 -1.659 1.00 12.32 H new ATOM 0 HB2 SER A 60 2.137 -2.852 -1.800 1.00 44.34 H new ATOM 0 HB3 SER A 60 2.648 -2.458 -3.429 1.00 44.34 H new ATOM 0 HG SER A 60 3.884 -1.828 -1.185 1.00 1.32 H new ATOM 970 N ILE A 61 1.780 1.226 -3.047 1.00 13.13 N ATOM 971 CA ILE A 61 2.138 2.403 -3.855 1.00 34.22 C ATOM 972 C ILE A 61 3.578 2.863 -3.561 1.00 42.05 C ATOM 973 O ILE A 61 4.037 2.784 -2.420 1.00 55.23 O ATOM 974 CB ILE A 61 1.165 3.585 -3.596 1.00 2.00 C ATOM 975 CG1 ILE A 61 1.187 3.992 -2.113 1.00 53.35 C ATOM 976 CG2 ILE A 61 -0.252 3.220 -4.036 1.00 44.32 C ATOM 977 CD1 ILE A 61 0.256 5.140 -1.773 1.00 74.11 C ATOM 0 H ILE A 61 1.752 1.404 -2.043 1.00 13.13 H new ATOM 0 HA ILE A 61 2.063 2.103 -4.900 1.00 34.22 H new ATOM 0 HB ILE A 61 1.497 4.438 -4.187 1.00 2.00 H new ATOM 0 HG12 ILE A 61 0.918 3.128 -1.506 1.00 53.35 H new ATOM 0 HG13 ILE A 61 2.205 4.270 -1.838 1.00 53.35 H new ATOM 0 HG21 ILE A 61 -0.920 4.061 -3.847 1.00 44.32 H new ATOM 0 HG22 ILE A 61 -0.254 2.988 -5.101 1.00 44.32 H new ATOM 0 HG23 ILE A 61 -0.595 2.351 -3.475 1.00 44.32 H new ATOM 0 HD11 ILE A 61 0.330 5.366 -0.709 1.00 74.11 H new ATOM 0 HD12 ILE A 61 0.537 6.020 -2.351 1.00 74.11 H new ATOM 0 HD13 ILE A 61 -0.770 4.860 -2.014 1.00 74.11 H new ATOM 989 N PRO A 62 4.321 3.349 -4.580 1.00 32.15 N ATOM 990 CA PRO A 62 5.721 3.789 -4.405 1.00 50.11 C ATOM 991 C PRO A 62 5.888 4.864 -3.310 1.00 24.30 C ATOM 992 O PRO A 62 5.010 5.703 -3.108 1.00 3.44 O ATOM 993 CB PRO A 62 6.107 4.349 -5.788 1.00 52.32 C ATOM 994 CG PRO A 62 4.813 4.551 -6.512 1.00 74.10 C ATOM 995 CD PRO A 62 3.866 3.514 -5.971 1.00 21.51 C ATOM 0 HA PRO A 62 6.356 2.967 -4.075 1.00 50.11 H new ATOM 0 HB2 PRO A 62 6.654 5.287 -5.693 1.00 52.32 H new ATOM 0 HB3 PRO A 62 6.754 3.656 -6.326 1.00 52.32 H new ATOM 0 HG2 PRO A 62 4.426 5.556 -6.346 1.00 74.10 H new ATOM 0 HG3 PRO A 62 4.946 4.434 -7.588 1.00 74.10 H new ATOM 0 HD2 PRO A 62 2.830 3.848 -6.020 1.00 21.51 H new ATOM 0 HD3 PRO A 62 3.927 2.580 -6.530 1.00 21.51 H new ATOM 1003 N ALA A 63 7.034 4.844 -2.622 1.00 33.23 N ATOM 1004 CA ALA A 63 7.301 5.770 -1.503 1.00 45.44 C ATOM 1005 C ALA A 63 7.234 7.251 -1.917 1.00 42.32 C ATOM 1006 O ALA A 63 7.130 8.136 -1.069 1.00 41.35 O ATOM 1007 CB ALA A 63 8.660 5.462 -0.892 1.00 14.33 C ATOM 0 H ALA A 63 7.798 4.196 -2.817 1.00 33.23 H new ATOM 0 HA ALA A 63 6.513 5.614 -0.766 1.00 45.44 H new ATOM 0 HB1 ALA A 63 8.852 6.148 -0.067 1.00 14.33 H new ATOM 0 HB2 ALA A 63 8.668 4.437 -0.521 1.00 14.33 H new ATOM 0 HB3 ALA A 63 9.435 5.580 -1.650 1.00 14.33 H new ATOM 1013 N SER A 64 7.300 7.515 -3.219 1.00 24.11 N ATOM 1014 CA SER A 64 7.201 8.886 -3.742 1.00 11.13 C ATOM 1015 C SER A 64 5.758 9.417 -3.699 1.00 14.12 C ATOM 1016 O SER A 64 5.505 10.576 -4.025 1.00 20.42 O ATOM 1017 CB SER A 64 7.725 8.939 -5.181 1.00 41.41 C ATOM 1018 OG SER A 64 9.059 8.464 -5.258 1.00 33.34 O ATOM 0 H SER A 64 7.422 6.801 -3.937 1.00 24.11 H new ATOM 0 HA SER A 64 7.811 9.523 -3.101 1.00 11.13 H new ATOM 0 HB2 SER A 64 7.084 8.338 -5.827 1.00 41.41 H new ATOM 0 HB3 SER A 64 7.679 9.964 -5.550 1.00 41.41 H new ATOM 0 HG SER A 64 9.368 8.507 -6.187 1.00 33.34 H new ATOM 1024 N VAL A 65 4.817 8.562 -3.300 1.00 13.12 N ATOM 1025 CA VAL A 65 3.400 8.934 -3.212 1.00 52.20 C ATOM 1026 C VAL A 65 2.984 9.207 -1.750 1.00 2.23 C ATOM 1027 O VAL A 65 3.279 8.409 -0.854 1.00 73.51 O ATOM 1028 CB VAL A 65 2.503 7.811 -3.800 1.00 74.40 C ATOM 1029 CG1 VAL A 65 1.028 8.210 -3.775 1.00 21.32 C ATOM 1030 CG2 VAL A 65 2.949 7.461 -5.219 1.00 45.20 C ATOM 0 H VAL A 65 5.010 7.598 -3.030 1.00 13.12 H new ATOM 0 HA VAL A 65 3.265 9.847 -3.792 1.00 52.20 H new ATOM 0 HB VAL A 65 2.615 6.926 -3.174 1.00 74.40 H new ATOM 0 HG11 VAL A 65 0.426 7.403 -4.193 1.00 21.32 H new ATOM 0 HG12 VAL A 65 0.719 8.398 -2.747 1.00 21.32 H new ATOM 0 HG13 VAL A 65 0.885 9.114 -4.367 1.00 21.32 H new ATOM 0 HG21 VAL A 65 2.310 6.672 -5.617 1.00 45.20 H new ATOM 0 HG22 VAL A 65 2.872 8.344 -5.853 1.00 45.20 H new ATOM 0 HG23 VAL A 65 3.983 7.116 -5.201 1.00 45.20 H new ATOM 1040 N PRO A 66 2.297 10.344 -1.490 1.00 0.01 N ATOM 1041 CA PRO A 66 1.841 10.718 -0.132 1.00 2.14 C ATOM 1042 C PRO A 66 1.085 9.591 0.606 1.00 75.51 C ATOM 1043 O PRO A 66 0.360 8.798 -0.007 1.00 44.14 O ATOM 1044 CB PRO A 66 0.908 11.908 -0.396 1.00 44.41 C ATOM 1045 CG PRO A 66 1.432 12.521 -1.651 1.00 23.23 C ATOM 1046 CD PRO A 66 1.931 11.372 -2.491 1.00 10.30 C ATOM 0 HA PRO A 66 2.685 10.939 0.522 1.00 2.14 H new ATOM 0 HB2 PRO A 66 -0.126 11.583 -0.514 1.00 44.41 H new ATOM 0 HB3 PRO A 66 0.927 12.618 0.431 1.00 44.41 H new ATOM 0 HG2 PRO A 66 0.651 13.076 -2.171 1.00 23.23 H new ATOM 0 HG3 PRO A 66 2.235 13.226 -1.436 1.00 23.23 H new ATOM 0 HD2 PRO A 66 1.162 11.011 -3.174 1.00 10.30 H new ATOM 0 HD3 PRO A 66 2.787 11.662 -3.100 1.00 10.30 H new ATOM 1054 N LEU A 67 1.259 9.540 1.929 1.00 61.23 N ATOM 1055 CA LEU A 67 0.632 8.514 2.773 1.00 74.42 C ATOM 1056 C LEU A 67 -0.893 8.715 2.876 1.00 51.35 C ATOM 1057 O LEU A 67 -1.377 9.839 3.037 1.00 11.42 O ATOM 1058 CB LEU A 67 1.267 8.532 4.178 1.00 24.33 C ATOM 1059 CG LEU A 67 0.716 7.504 5.183 1.00 52.41 C ATOM 1060 CD1 LEU A 67 0.928 6.080 4.683 1.00 5.42 C ATOM 1061 CD2 LEU A 67 1.361 7.694 6.554 1.00 2.41 C ATOM 0 H LEU A 67 1.835 10.204 2.446 1.00 61.23 H new ATOM 0 HA LEU A 67 0.806 7.544 2.307 1.00 74.42 H new ATOM 0 HB2 LEU A 67 2.339 8.368 4.072 1.00 24.33 H new ATOM 0 HB3 LEU A 67 1.137 9.528 4.600 1.00 24.33 H new ATOM 0 HG LEU A 67 -0.357 7.670 5.280 1.00 52.41 H new ATOM 0 HD11 LEU A 67 0.529 5.375 5.413 1.00 5.42 H new ATOM 0 HD12 LEU A 67 0.413 5.948 3.732 1.00 5.42 H new ATOM 0 HD13 LEU A 67 1.994 5.897 4.547 1.00 5.42 H new ATOM 0 HD21 LEU A 67 0.959 6.958 7.250 1.00 2.41 H new ATOM 0 HD22 LEU A 67 2.440 7.562 6.470 1.00 2.41 H new ATOM 0 HD23 LEU A 67 1.146 8.697 6.922 1.00 2.41 H new ATOM 1073 N LYS A 68 -1.641 7.615 2.774 1.00 41.24 N ATOM 1074 CA LYS A 68 -3.107 7.656 2.844 1.00 75.42 C ATOM 1075 C LYS A 68 -3.620 7.556 4.288 1.00 70.03 C ATOM 1076 O LYS A 68 -3.184 6.702 5.062 1.00 1.10 O ATOM 1077 CB LYS A 68 -3.711 6.526 1.994 1.00 25.14 C ATOM 1078 CG LYS A 68 -3.833 6.858 0.505 1.00 24.44 C ATOM 1079 CD LYS A 68 -2.553 7.464 -0.065 1.00 24.22 C ATOM 1080 CE LYS A 68 -2.732 7.920 -1.507 1.00 74.20 C ATOM 1081 NZ LYS A 68 -1.633 8.822 -1.934 1.00 20.25 N ATOM 0 H LYS A 68 -1.256 6.680 2.642 1.00 41.24 H new ATOM 0 HA LYS A 68 -3.424 8.621 2.448 1.00 75.42 H new ATOM 0 HB2 LYS A 68 -3.096 5.633 2.107 1.00 25.14 H new ATOM 0 HB3 LYS A 68 -4.700 6.283 2.383 1.00 25.14 H new ATOM 0 HG2 LYS A 68 -4.079 5.951 -0.047 1.00 24.44 H new ATOM 0 HG3 LYS A 68 -4.658 7.555 0.358 1.00 24.44 H new ATOM 0 HD2 LYS A 68 -2.249 8.312 0.548 1.00 24.22 H new ATOM 0 HD3 LYS A 68 -1.750 6.729 -0.014 1.00 24.22 H new ATOM 0 HE2 LYS A 68 -2.766 7.050 -2.163 1.00 74.20 H new ATOM 0 HE3 LYS A 68 -3.687 8.435 -1.611 1.00 74.20 H new ATOM 0 HZ1 LYS A 68 -1.439 8.679 -2.946 1.00 20.25 H new ATOM 0 HZ2 LYS A 68 -1.912 9.811 -1.772 1.00 20.25 H new ATOM 0 HZ3 LYS A 68 -0.776 8.610 -1.384 1.00 20.25 H new ATOM 1095 N GLU A 69 -4.558 8.436 4.628 1.00 1.42 N ATOM 1096 CA GLU A 69 -5.157 8.485 5.970 1.00 31.41 C ATOM 1097 C GLU A 69 -6.672 8.203 5.914 1.00 42.10 C ATOM 1098 O GLU A 69 -7.439 8.702 6.741 1.00 10.55 O ATOM 1099 CB GLU A 69 -4.914 9.872 6.577 1.00 64.30 C ATOM 1100 CG GLU A 69 -3.445 10.283 6.624 1.00 23.10 C ATOM 1101 CD GLU A 69 -3.253 11.705 7.133 1.00 14.32 C ATOM 1102 OE1 GLU A 69 -3.876 12.632 6.569 1.00 4.41 O ATOM 1103 OE2 GLU A 69 -2.485 11.905 8.101 1.00 11.30 O ATOM 0 H GLU A 69 -4.928 9.137 3.986 1.00 1.42 H new ATOM 0 HA GLU A 69 -4.692 7.717 6.587 1.00 31.41 H new ATOM 0 HB2 GLU A 69 -5.469 10.612 6.000 1.00 64.30 H new ATOM 0 HB3 GLU A 69 -5.318 9.890 7.589 1.00 64.30 H new ATOM 0 HG2 GLU A 69 -2.899 9.593 7.267 1.00 23.10 H new ATOM 0 HG3 GLU A 69 -3.015 10.197 5.626 1.00 23.10 H new ATOM 1110 N PHE A 70 -7.095 7.386 4.948 1.00 34.11 N ATOM 1111 CA PHE A 70 -8.525 7.113 4.731 1.00 63.11 C ATOM 1112 C PHE A 70 -9.176 6.380 5.920 1.00 70.42 C ATOM 1113 O PHE A 70 -8.496 5.777 6.751 1.00 3.21 O ATOM 1114 CB PHE A 70 -8.733 6.309 3.441 1.00 21.22 C ATOM 1115 CG PHE A 70 -8.319 7.043 2.185 1.00 60.44 C ATOM 1116 CD1 PHE A 70 -8.711 8.361 1.970 1.00 23.13 C ATOM 1117 CD2 PHE A 70 -7.553 6.415 1.213 1.00 75.24 C ATOM 1118 CE1 PHE A 70 -8.345 9.029 0.814 1.00 44.33 C ATOM 1119 CE2 PHE A 70 -7.186 7.080 0.056 1.00 21.13 C ATOM 1120 CZ PHE A 70 -7.581 8.389 -0.142 1.00 33.10 C ATOM 0 H PHE A 70 -6.472 6.900 4.302 1.00 34.11 H new ATOM 0 HA PHE A 70 -9.017 8.081 4.638 1.00 63.11 H new ATOM 0 HB2 PHE A 70 -8.168 5.379 3.509 1.00 21.22 H new ATOM 0 HB3 PHE A 70 -9.785 6.037 3.360 1.00 21.22 H new ATOM 0 HD1 PHE A 70 -9.308 8.868 2.714 1.00 23.13 H new ATOM 0 HD2 PHE A 70 -7.239 5.392 1.362 1.00 75.24 H new ATOM 0 HE1 PHE A 70 -8.657 10.051 0.660 1.00 44.33 H new ATOM 0 HE2 PHE A 70 -6.591 6.576 -0.691 1.00 21.13 H new ATOM 0 HZ PHE A 70 -7.293 8.911 -1.043 1.00 33.10 H new ATOM 1130 N ASP A 71 -10.505 6.440 5.976 1.00 24.01 N ATOM 1131 CA ASP A 71 -11.276 5.865 7.084 1.00 52.43 C ATOM 1132 C ASP A 71 -11.529 4.353 6.893 1.00 33.40 C ATOM 1133 O ASP A 71 -11.383 3.814 5.794 1.00 53.10 O ATOM 1134 CB ASP A 71 -12.603 6.630 7.208 1.00 45.44 C ATOM 1135 CG ASP A 71 -13.439 6.186 8.394 1.00 11.52 C ATOM 1136 OD1 ASP A 71 -12.870 5.985 9.486 1.00 2.42 O ATOM 1137 OD2 ASP A 71 -14.669 6.033 8.240 1.00 44.21 O ATOM 0 H ASP A 71 -11.078 6.886 5.260 1.00 24.01 H new ATOM 0 HA ASP A 71 -10.698 5.967 8.003 1.00 52.43 H new ATOM 0 HB2 ASP A 71 -12.394 7.696 7.298 1.00 45.44 H new ATOM 0 HB3 ASP A 71 -13.180 6.494 6.293 1.00 45.44 H new ATOM 1142 N TYR A 72 -11.913 3.677 7.978 1.00 65.44 N ATOM 1143 CA TYR A 72 -12.190 2.237 7.949 1.00 53.12 C ATOM 1144 C TYR A 72 -13.397 1.924 7.039 1.00 74.00 C ATOM 1145 O TYR A 72 -14.501 2.413 7.272 1.00 44.22 O ATOM 1146 CB TYR A 72 -12.444 1.739 9.381 1.00 53.34 C ATOM 1147 CG TYR A 72 -12.461 0.229 9.532 1.00 22.44 C ATOM 1148 CD1 TYR A 72 -11.326 -0.530 9.261 1.00 73.43 C ATOM 1149 CD2 TYR A 72 -13.604 -0.437 9.963 1.00 1.52 C ATOM 1150 CE1 TYR A 72 -11.332 -1.903 9.413 1.00 33.13 C ATOM 1151 CE2 TYR A 72 -13.617 -1.812 10.115 1.00 43.34 C ATOM 1152 CZ TYR A 72 -12.480 -2.539 9.839 1.00 60.43 C ATOM 1153 OH TYR A 72 -12.488 -3.907 9.994 1.00 1.11 O ATOM 0 H TYR A 72 -12.040 4.107 8.894 1.00 65.44 H new ATOM 0 HA TYR A 72 -11.325 1.718 7.536 1.00 53.12 H new ATOM 0 HB2 TYR A 72 -11.674 2.148 10.035 1.00 53.34 H new ATOM 0 HB3 TYR A 72 -13.399 2.136 9.726 1.00 53.34 H new ATOM 0 HD1 TYR A 72 -10.425 -0.037 8.926 1.00 73.43 H new ATOM 0 HD2 TYR A 72 -14.497 0.129 10.183 1.00 1.52 H new ATOM 0 HE1 TYR A 72 -10.442 -2.476 9.199 1.00 33.13 H new ATOM 0 HE2 TYR A 72 -14.514 -2.313 10.448 1.00 43.34 H new ATOM 0 HH TYR A 72 -13.373 -4.196 10.301 1.00 1.11 H new ATOM 1163 N ASN A 73 -13.171 1.100 6.013 1.00 33.21 N ATOM 1164 CA ASN A 73 -14.177 0.813 4.972 1.00 4.14 C ATOM 1165 C ASN A 73 -14.491 2.056 4.120 1.00 44.55 C ATOM 1166 O ASN A 73 -15.621 2.244 3.661 1.00 61.55 O ATOM 1167 CB ASN A 73 -15.474 0.237 5.568 1.00 61.51 C ATOM 1168 CG ASN A 73 -15.314 -1.197 6.030 1.00 11.22 C ATOM 1169 OD1 ASN A 73 -15.406 -2.127 5.238 1.00 2.10 O ATOM 1170 ND2 ASN A 73 -15.101 -1.392 7.313 1.00 64.12 N ATOM 0 H ASN A 73 -12.287 0.610 5.875 1.00 33.21 H new ATOM 0 HA ASN A 73 -13.737 0.056 4.322 1.00 4.14 H new ATOM 0 HB2 ASN A 73 -15.788 0.854 6.410 1.00 61.51 H new ATOM 0 HB3 ASN A 73 -16.267 0.289 4.822 1.00 61.51 H new ATOM 0 HD21 ASN A 73 -15.007 -2.341 7.676 1.00 64.12 H new ATOM 0 HD22 ASN A 73 -15.030 -0.595 7.945 1.00 64.12 H new ATOM 1177 N ALA A 74 -13.479 2.892 3.894 1.00 2.44 N ATOM 1178 CA ALA A 74 -13.628 4.059 3.017 1.00 23.52 C ATOM 1179 C ALA A 74 -13.584 3.651 1.538 1.00 71.43 C ATOM 1180 O ALA A 74 -12.589 3.101 1.068 1.00 4.14 O ATOM 1181 CB ALA A 74 -12.544 5.092 3.310 1.00 13.21 C ATOM 0 H ALA A 74 -12.550 2.787 4.302 1.00 2.44 H new ATOM 0 HA ALA A 74 -14.602 4.504 3.219 1.00 23.52 H new ATOM 0 HB1 ALA A 74 -12.671 5.950 2.650 1.00 13.21 H new ATOM 0 HB2 ALA A 74 -12.622 5.418 4.347 1.00 13.21 H new ATOM 0 HB3 ALA A 74 -11.563 4.647 3.142 1.00 13.21 H new ATOM 1187 N ARG A 75 -14.674 3.911 0.816 1.00 51.33 N ATOM 1188 CA ARG A 75 -14.748 3.607 -0.620 1.00 1.14 C ATOM 1189 C ARG A 75 -13.669 4.362 -1.417 1.00 35.35 C ATOM 1190 O ARG A 75 -13.741 5.583 -1.581 1.00 22.05 O ATOM 1191 CB ARG A 75 -16.145 3.957 -1.154 1.00 4.13 C ATOM 1192 CG ARG A 75 -17.234 2.994 -0.697 1.00 51.33 C ATOM 1193 CD ARG A 75 -18.631 3.504 -1.040 1.00 20.24 C ATOM 1194 NE ARG A 75 -18.714 4.020 -2.408 1.00 5.42 N ATOM 1195 CZ ARG A 75 -19.374 3.443 -3.373 1.00 52.24 C ATOM 1196 NH1 ARG A 75 -19.947 2.299 -3.198 1.00 41.13 N ATOM 1197 NH2 ARG A 75 -19.439 4.014 -4.529 1.00 63.43 N ATOM 0 H ARG A 75 -15.521 4.332 1.199 1.00 51.33 H new ATOM 0 HA ARG A 75 -14.566 2.540 -0.749 1.00 1.14 H new ATOM 0 HB2 ARG A 75 -16.405 4.965 -0.832 1.00 4.13 H new ATOM 0 HB3 ARG A 75 -16.116 3.968 -2.244 1.00 4.13 H new ATOM 0 HG2 ARG A 75 -17.078 2.022 -1.165 1.00 51.33 H new ATOM 0 HG3 ARG A 75 -17.157 2.845 0.380 1.00 51.33 H new ATOM 0 HD2 ARG A 75 -19.351 2.696 -0.915 1.00 20.24 H new ATOM 0 HD3 ARG A 75 -18.910 4.291 -0.340 1.00 20.24 H new ATOM 0 HE ARG A 75 -18.223 4.888 -2.620 1.00 5.42 H new ATOM 0 HH11 ARG A 75 -19.887 1.832 -2.293 1.00 41.13 H new ATOM 0 HH12 ARG A 75 -20.459 1.863 -3.965 1.00 41.13 H new ATOM 0 HH21 ARG A 75 -18.976 4.910 -4.682 1.00 63.43 H new ATOM 0 HH22 ARG A 75 -19.953 3.569 -5.289 1.00 63.43 H new ATOM 1211 N VAL A 76 -12.668 3.627 -1.905 1.00 2.21 N ATOM 1212 CA VAL A 76 -11.563 4.219 -2.670 1.00 4.51 C ATOM 1213 C VAL A 76 -11.366 3.518 -4.026 1.00 43.43 C ATOM 1214 O VAL A 76 -11.965 2.474 -4.304 1.00 65.24 O ATOM 1215 CB VAL A 76 -10.230 4.174 -1.872 1.00 24.35 C ATOM 1216 CG1 VAL A 76 -10.344 4.984 -0.581 1.00 45.22 C ATOM 1217 CG2 VAL A 76 -9.815 2.733 -1.572 1.00 74.05 C ATOM 0 H VAL A 76 -12.598 2.617 -1.785 1.00 2.21 H new ATOM 0 HA VAL A 76 -11.836 5.259 -2.850 1.00 4.51 H new ATOM 0 HB VAL A 76 -9.454 4.624 -2.491 1.00 24.35 H new ATOM 0 HG11 VAL A 76 -9.400 4.939 -0.038 1.00 45.22 H new ATOM 0 HG12 VAL A 76 -10.575 6.022 -0.822 1.00 45.22 H new ATOM 0 HG13 VAL A 76 -11.139 4.570 0.039 1.00 45.22 H new ATOM 0 HG21 VAL A 76 -8.879 2.733 -1.013 1.00 74.05 H new ATOM 0 HG22 VAL A 76 -10.591 2.246 -0.981 1.00 74.05 H new ATOM 0 HG23 VAL A 76 -9.679 2.191 -2.508 1.00 74.05 H new ATOM 1227 N GLU A 77 -10.535 4.113 -4.875 1.00 54.31 N ATOM 1228 CA GLU A 77 -10.214 3.549 -6.187 1.00 4.11 C ATOM 1229 C GLU A 77 -8.743 3.819 -6.550 1.00 5.15 C ATOM 1230 O GLU A 77 -8.115 4.737 -6.018 1.00 24.12 O ATOM 1231 CB GLU A 77 -11.153 4.117 -7.264 1.00 61.24 C ATOM 1232 CG GLU A 77 -11.121 5.636 -7.385 1.00 50.52 C ATOM 1233 CD GLU A 77 -11.958 6.152 -8.545 1.00 42.21 C ATOM 1234 OE1 GLU A 77 -13.189 6.290 -8.389 1.00 11.02 O ATOM 1235 OE2 GLU A 77 -11.396 6.407 -9.628 1.00 54.12 O ATOM 0 H GLU A 77 -10.065 4.996 -4.677 1.00 54.31 H new ATOM 0 HA GLU A 77 -10.360 2.470 -6.141 1.00 4.11 H new ATOM 0 HB2 GLU A 77 -10.888 3.682 -8.227 1.00 61.24 H new ATOM 0 HB3 GLU A 77 -12.173 3.803 -7.043 1.00 61.24 H new ATOM 0 HG2 GLU A 77 -11.483 6.078 -6.457 1.00 50.52 H new ATOM 0 HG3 GLU A 77 -10.089 5.964 -7.513 1.00 50.52 H new ATOM 1242 N LEU A 78 -8.196 3.010 -7.456 1.00 45.22 N ATOM 1243 CA LEU A 78 -6.774 3.091 -7.814 1.00 40.22 C ATOM 1244 C LEU A 78 -6.560 3.804 -9.158 1.00 22.14 C ATOM 1245 O LEU A 78 -7.142 3.423 -10.172 1.00 0.13 O ATOM 1246 CB LEU A 78 -6.169 1.681 -7.866 1.00 10.01 C ATOM 1247 CG LEU A 78 -6.229 0.897 -6.546 1.00 34.13 C ATOM 1248 CD1 LEU A 78 -5.654 -0.507 -6.716 1.00 30.15 C ATOM 1249 CD2 LEU A 78 -5.496 1.653 -5.442 1.00 14.21 C ATOM 0 H LEU A 78 -8.714 2.289 -7.958 1.00 45.22 H new ATOM 0 HA LEU A 78 -6.272 3.679 -7.046 1.00 40.22 H new ATOM 0 HB2 LEU A 78 -6.688 1.108 -8.635 1.00 10.01 H new ATOM 0 HB3 LEU A 78 -5.127 1.761 -8.176 1.00 10.01 H new ATOM 0 HG LEU A 78 -7.275 0.796 -6.258 1.00 34.13 H new ATOM 0 HD11 LEU A 78 -5.709 -1.040 -5.767 1.00 30.15 H new ATOM 0 HD12 LEU A 78 -6.228 -1.047 -7.469 1.00 30.15 H new ATOM 0 HD13 LEU A 78 -4.614 -0.438 -7.034 1.00 30.15 H new ATOM 0 HD21 LEU A 78 -5.549 1.083 -4.514 1.00 14.21 H new ATOM 0 HD22 LEU A 78 -4.452 1.789 -5.725 1.00 14.21 H new ATOM 0 HD23 LEU A 78 -5.963 2.627 -5.296 1.00 14.21 H new ATOM 1261 N ILE A 79 -5.708 4.828 -9.153 1.00 53.15 N ATOM 1262 CA ILE A 79 -5.386 5.585 -10.370 1.00 73.33 C ATOM 1263 C ILE A 79 -4.856 4.664 -11.489 1.00 4.54 C ATOM 1264 O ILE A 79 -5.435 4.590 -12.573 1.00 1.43 O ATOM 1265 CB ILE A 79 -4.343 6.689 -10.068 1.00 42.23 C ATOM 1266 CG1 ILE A 79 -4.872 7.651 -8.989 1.00 5.14 C ATOM 1267 CG2 ILE A 79 -3.973 7.457 -11.336 1.00 50.53 C ATOM 1268 CD1 ILE A 79 -6.153 8.366 -9.372 1.00 21.20 C ATOM 0 H ILE A 79 -5.224 5.157 -8.317 1.00 53.15 H new ATOM 0 HA ILE A 79 -6.310 6.048 -10.716 1.00 73.33 H new ATOM 0 HB ILE A 79 -3.441 6.207 -9.691 1.00 42.23 H new ATOM 0 HG12 ILE A 79 -5.042 7.091 -8.070 1.00 5.14 H new ATOM 0 HG13 ILE A 79 -4.105 8.394 -8.772 1.00 5.14 H new ATOM 0 HG21 ILE A 79 -3.239 8.226 -11.095 1.00 50.53 H new ATOM 0 HG22 ILE A 79 -3.550 6.769 -12.068 1.00 50.53 H new ATOM 0 HG23 ILE A 79 -4.865 7.925 -11.751 1.00 50.53 H new ATOM 0 HD11 ILE A 79 -6.459 9.024 -8.559 1.00 21.20 H new ATOM 0 HD12 ILE A 79 -5.985 8.956 -10.273 1.00 21.20 H new ATOM 0 HD13 ILE A 79 -6.937 7.632 -9.560 1.00 21.20 H new ATOM 1280 N ASN A 80 -3.744 3.971 -11.226 1.00 52.15 N ATOM 1281 CA ASN A 80 -3.209 2.971 -12.166 1.00 22.20 C ATOM 1282 C ASN A 80 -2.750 1.701 -11.428 1.00 2.30 C ATOM 1283 O ASN A 80 -1.618 1.633 -10.946 1.00 0.34 O ATOM 1284 CB ASN A 80 -2.044 3.542 -12.990 1.00 30.35 C ATOM 1285 CG ASN A 80 -2.467 4.694 -13.886 1.00 13.55 C ATOM 1286 OD1 ASN A 80 -2.227 5.916 -13.453 1.00 14.24 O flip ATOM 1287 ND2 ASN A 80 -2.979 4.482 -14.980 1.00 22.24 N flip ATOM 0 H ASN A 80 -3.195 4.081 -10.373 1.00 52.15 H new ATOM 0 HA ASN A 80 -4.019 2.708 -12.846 1.00 22.20 H new ATOM 0 HB2 ASN A 80 -1.259 3.882 -12.314 1.00 30.35 H new ATOM 0 HB3 ASN A 80 -1.615 2.749 -13.603 1.00 30.35 H new ATOM 0 HD21 ASN A 80 -3.151 3.524 -15.285 1.00 22.24 H new ATOM 0 HD22 ASN A 80 -3.232 5.263 -15.585 1.00 22.24 H new ATOM 1294 N PRO A 81 -3.646 0.705 -11.281 1.00 22.43 N ATOM 1295 CA PRO A 81 -3.310 -0.595 -10.669 1.00 20.33 C ATOM 1296 C PRO A 81 -2.627 -1.579 -11.643 1.00 73.51 C ATOM 1297 O PRO A 81 -2.985 -1.653 -12.822 1.00 20.31 O ATOM 1298 CB PRO A 81 -4.684 -1.122 -10.247 1.00 13.51 C ATOM 1299 CG PRO A 81 -5.625 -0.574 -11.270 1.00 73.31 C ATOM 1300 CD PRO A 81 -5.069 0.772 -11.679 1.00 30.52 C ATOM 0 HA PRO A 81 -2.590 -0.489 -9.857 1.00 20.33 H new ATOM 0 HB2 PRO A 81 -4.704 -2.212 -10.233 1.00 13.51 H new ATOM 0 HB3 PRO A 81 -4.948 -0.785 -9.244 1.00 13.51 H new ATOM 0 HG2 PRO A 81 -5.698 -1.242 -12.128 1.00 73.31 H new ATOM 0 HG3 PRO A 81 -6.629 -0.471 -10.859 1.00 73.31 H new ATOM 0 HD2 PRO A 81 -5.177 0.940 -12.751 1.00 30.52 H new ATOM 0 HD3 PRO A 81 -5.587 1.588 -11.175 1.00 30.52 H new ATOM 1308 N ILE A 82 -1.644 -2.333 -11.140 1.00 20.32 N ATOM 1309 CA ILE A 82 -0.992 -3.398 -11.921 1.00 70.52 C ATOM 1310 C ILE A 82 -0.679 -4.625 -11.040 1.00 73.32 C ATOM 1311 O ILE A 82 -0.127 -4.497 -9.943 1.00 52.53 O ATOM 1312 CB ILE A 82 0.326 -2.916 -12.601 1.00 15.33 C ATOM 1313 CG1 ILE A 82 1.314 -2.369 -11.553 1.00 61.03 C ATOM 1314 CG2 ILE A 82 0.038 -1.863 -13.677 1.00 52.42 C ATOM 1315 CD1 ILE A 82 2.641 -1.913 -12.131 1.00 1.23 C ATOM 0 H ILE A 82 -1.279 -2.228 -10.193 1.00 20.32 H new ATOM 0 HA ILE A 82 -1.701 -3.675 -12.701 1.00 70.52 H new ATOM 0 HB ILE A 82 0.786 -3.776 -13.087 1.00 15.33 H new ATOM 0 HG12 ILE A 82 0.849 -1.531 -11.034 1.00 61.03 H new ATOM 0 HG13 ILE A 82 1.501 -3.142 -10.808 1.00 61.03 H new ATOM 0 HG21 ILE A 82 0.975 -1.545 -14.135 1.00 52.42 H new ATOM 0 HG22 ILE A 82 -0.612 -2.291 -14.440 1.00 52.42 H new ATOM 0 HG23 ILE A 82 -0.454 -1.003 -13.222 1.00 52.42 H new ATOM 0 HD11 ILE A 82 3.279 -1.542 -11.329 1.00 1.23 H new ATOM 0 HD12 ILE A 82 3.130 -2.752 -12.625 1.00 1.23 H new ATOM 0 HD13 ILE A 82 2.468 -1.116 -12.855 1.00 1.23 H new ATOM 1327 N ALA A 83 -1.048 -5.815 -11.516 1.00 74.42 N ATOM 1328 CA ALA A 83 -0.730 -7.062 -10.810 1.00 12.43 C ATOM 1329 C ALA A 83 0.754 -7.419 -10.992 1.00 4.04 C ATOM 1330 O ALA A 83 1.180 -7.785 -12.090 1.00 50.31 O ATOM 1331 CB ALA A 83 -1.623 -8.197 -11.309 1.00 73.25 C ATOM 0 H ALA A 83 -1.566 -5.944 -12.385 1.00 74.42 H new ATOM 0 HA ALA A 83 -0.919 -6.918 -9.746 1.00 12.43 H new ATOM 0 HB1 ALA A 83 -1.376 -9.115 -10.777 1.00 73.25 H new ATOM 0 HB2 ALA A 83 -2.668 -7.944 -11.130 1.00 73.25 H new ATOM 0 HB3 ALA A 83 -1.463 -8.343 -12.377 1.00 73.25 H new ATOM 1337 N ASP A 84 1.538 -7.311 -9.919 1.00 52.31 N ATOM 1338 CA ASP A 84 2.996 -7.457 -10.024 1.00 14.14 C ATOM 1339 C ASP A 84 3.490 -8.717 -9.271 1.00 65.31 C ATOM 1340 O ASP A 84 2.795 -9.734 -9.238 1.00 74.32 O ATOM 1341 CB ASP A 84 3.665 -6.175 -9.500 1.00 52.31 C ATOM 1342 CG ASP A 84 5.091 -6.011 -10.002 1.00 42.31 C ATOM 1343 OD1 ASP A 84 5.280 -5.817 -11.221 1.00 43.14 O ATOM 1344 OD2 ASP A 84 6.029 -6.078 -9.183 1.00 1.32 O ATOM 0 H ASP A 84 1.196 -7.125 -8.976 1.00 52.31 H new ATOM 0 HA ASP A 84 3.273 -7.596 -11.069 1.00 14.14 H new ATOM 0 HB2 ASP A 84 3.075 -5.311 -9.805 1.00 52.31 H new ATOM 0 HB3 ASP A 84 3.667 -6.190 -8.410 1.00 52.31 H new ATOM 1349 N THR A 85 4.694 -8.657 -8.690 1.00 41.03 N ATOM 1350 CA THR A 85 5.293 -9.814 -8.014 1.00 11.40 C ATOM 1351 C THR A 85 4.459 -10.290 -6.811 1.00 23.23 C ATOM 1352 O THR A 85 4.623 -9.819 -5.682 1.00 60.13 O ATOM 1353 CB THR A 85 6.749 -9.527 -7.554 1.00 74.33 C ATOM 1354 OG1 THR A 85 7.249 -10.615 -6.756 1.00 73.21 O ATOM 1355 CG2 THR A 85 6.840 -8.222 -6.764 1.00 53.32 C ATOM 0 H THR A 85 5.274 -7.818 -8.674 1.00 41.03 H new ATOM 0 HA THR A 85 5.308 -10.612 -8.756 1.00 11.40 H new ATOM 0 HB THR A 85 7.362 -9.427 -8.450 1.00 74.33 H new ATOM 0 HG1 THR A 85 8.167 -10.420 -6.475 1.00 73.21 H new ATOM 0 HG21 THR A 85 7.872 -8.053 -6.458 1.00 53.32 H new ATOM 0 HG22 THR A 85 6.507 -7.394 -7.390 1.00 53.32 H new ATOM 0 HG23 THR A 85 6.206 -8.287 -5.880 1.00 53.32 H new ATOM 1363 N VAL A 86 3.527 -11.202 -7.075 1.00 74.13 N ATOM 1364 CA VAL A 86 2.754 -11.842 -6.012 1.00 12.13 C ATOM 1365 C VAL A 86 3.673 -12.675 -5.102 1.00 32.11 C ATOM 1366 O VAL A 86 4.625 -13.307 -5.571 1.00 24.44 O ATOM 1367 CB VAL A 86 1.621 -12.734 -6.586 1.00 21.43 C ATOM 1368 CG1 VAL A 86 0.679 -11.908 -7.461 1.00 60.20 C ATOM 1369 CG2 VAL A 86 2.187 -13.917 -7.368 1.00 74.34 C ATOM 0 H VAL A 86 3.288 -11.515 -8.016 1.00 74.13 H new ATOM 0 HA VAL A 86 2.292 -11.050 -5.422 1.00 12.13 H new ATOM 0 HB VAL A 86 1.052 -13.134 -5.746 1.00 21.43 H new ATOM 0 HG11 VAL A 86 -0.109 -12.550 -7.855 1.00 60.20 H new ATOM 0 HG12 VAL A 86 0.234 -11.111 -6.865 1.00 60.20 H new ATOM 0 HG13 VAL A 86 1.239 -11.472 -8.288 1.00 60.20 H new ATOM 0 HG21 VAL A 86 1.368 -14.522 -7.757 1.00 74.34 H new ATOM 0 HG22 VAL A 86 2.792 -13.549 -8.197 1.00 74.34 H new ATOM 0 HG23 VAL A 86 2.806 -14.526 -6.709 1.00 74.34 H new ATOM 1379 N ALA A 87 3.386 -12.679 -3.806 1.00 33.54 N ATOM 1380 CA ALA A 87 4.263 -13.324 -2.824 1.00 72.43 C ATOM 1381 C ALA A 87 4.460 -14.824 -3.103 1.00 64.22 C ATOM 1382 O ALA A 87 5.524 -15.376 -2.828 1.00 21.44 O ATOM 1383 CB ALA A 87 3.723 -13.102 -1.424 1.00 2.45 C ATOM 0 H ALA A 87 2.554 -12.244 -3.406 1.00 33.54 H new ATOM 0 HA ALA A 87 5.246 -12.861 -2.909 1.00 72.43 H new ATOM 0 HB1 ALA A 87 4.380 -13.584 -0.700 1.00 2.45 H new ATOM 0 HB2 ALA A 87 3.677 -12.033 -1.217 1.00 2.45 H new ATOM 0 HB3 ALA A 87 2.723 -13.529 -1.348 1.00 2.45 H new ATOM 1389 N THR A 88 3.438 -15.476 -3.658 1.00 21.11 N ATOM 1390 CA THR A 88 3.527 -16.906 -4.004 1.00 12.53 C ATOM 1391 C THR A 88 4.515 -17.162 -5.151 1.00 30.44 C ATOM 1392 O THR A 88 4.999 -18.282 -5.324 1.00 21.30 O ATOM 1393 CB THR A 88 2.153 -17.494 -4.411 1.00 73.22 C ATOM 1394 OG1 THR A 88 1.631 -16.804 -5.559 1.00 72.35 O ATOM 1395 CG2 THR A 88 1.153 -17.402 -3.264 1.00 73.42 C ATOM 0 H THR A 88 2.541 -15.045 -3.879 1.00 21.11 H new ATOM 0 HA THR A 88 3.882 -17.401 -3.100 1.00 12.53 H new ATOM 0 HB THR A 88 2.304 -18.545 -4.658 1.00 73.22 H new ATOM 0 HG1 THR A 88 0.764 -17.188 -5.805 1.00 72.35 H new ATOM 0 HG21 THR A 88 0.198 -17.822 -3.579 1.00 73.42 H new ATOM 0 HG22 THR A 88 1.530 -17.960 -2.407 1.00 73.42 H new ATOM 0 HG23 THR A 88 1.015 -16.358 -2.984 1.00 73.42 H new ATOM 1403 N ALA A 89 4.803 -16.127 -5.940 1.00 22.31 N ATOM 1404 CA ALA A 89 5.738 -16.243 -7.065 1.00 41.41 C ATOM 1405 C ALA A 89 7.190 -15.997 -6.628 1.00 1.13 C ATOM 1406 O ALA A 89 8.110 -16.681 -7.077 1.00 54.13 O ATOM 1407 CB ALA A 89 5.349 -15.269 -8.170 1.00 21.21 C ATOM 0 H ALA A 89 4.403 -15.196 -5.823 1.00 22.31 H new ATOM 0 HA ALA A 89 5.677 -17.263 -7.443 1.00 41.41 H new ATOM 0 HB1 ALA A 89 6.049 -15.363 -9.000 1.00 21.21 H new ATOM 0 HB2 ALA A 89 4.341 -15.496 -8.517 1.00 21.21 H new ATOM 0 HB3 ALA A 89 5.378 -14.250 -7.784 1.00 21.21 H new ATOM 1413 N THR A 90 7.392 -15.015 -5.751 1.00 0.30 N ATOM 1414 CA THR A 90 8.747 -14.664 -5.288 1.00 0.02 C ATOM 1415 C THR A 90 9.245 -15.595 -4.168 1.00 22.53 C ATOM 1416 O THR A 90 10.432 -15.915 -4.105 1.00 4.02 O ATOM 1417 CB THR A 90 8.828 -13.191 -4.806 1.00 61.05 C ATOM 1418 OG1 THR A 90 10.157 -12.885 -4.354 1.00 64.55 O ATOM 1419 CG2 THR A 90 7.833 -12.916 -3.685 1.00 65.42 C ATOM 0 H THR A 90 6.647 -14.449 -5.346 1.00 0.30 H new ATOM 0 HA THR A 90 9.397 -14.791 -6.154 1.00 0.02 H new ATOM 0 HB THR A 90 8.576 -12.554 -5.654 1.00 61.05 H new ATOM 0 HG1 THR A 90 10.194 -11.953 -4.054 1.00 64.55 H new ATOM 0 HG21 THR A 90 7.917 -11.875 -3.371 1.00 65.42 H new ATOM 0 HG22 THR A 90 6.821 -13.107 -4.042 1.00 65.42 H new ATOM 0 HG23 THR A 90 8.049 -13.568 -2.839 1.00 65.42 H new ATOM 1427 N TYR A 91 8.343 -16.032 -3.285 1.00 14.55 N ATOM 1428 CA TYR A 91 8.718 -16.922 -2.174 1.00 65.14 C ATOM 1429 C TYR A 91 8.502 -18.403 -2.531 1.00 65.13 C ATOM 1430 O TYR A 91 7.386 -18.827 -2.842 1.00 60.10 O ATOM 1431 CB TYR A 91 7.927 -16.564 -0.908 1.00 14.32 C ATOM 1432 CG TYR A 91 8.269 -15.194 -0.348 1.00 73.40 C ATOM 1433 CD1 TYR A 91 9.542 -14.926 0.146 1.00 62.22 C ATOM 1434 CD2 TYR A 91 7.329 -14.169 -0.320 1.00 54.53 C ATOM 1435 CE1 TYR A 91 9.866 -13.681 0.649 1.00 75.43 C ATOM 1436 CE2 TYR A 91 7.647 -12.920 0.177 1.00 75.50 C ATOM 1437 CZ TYR A 91 8.917 -12.682 0.664 1.00 40.22 C ATOM 1438 OH TYR A 91 9.244 -11.437 1.160 1.00 71.32 O ATOM 0 H TYR A 91 7.353 -15.788 -3.314 1.00 14.55 H new ATOM 0 HA TYR A 91 9.782 -16.776 -1.985 1.00 65.14 H new ATOM 0 HB2 TYR A 91 6.861 -16.600 -1.133 1.00 14.32 H new ATOM 0 HB3 TYR A 91 8.118 -17.318 -0.144 1.00 14.32 H new ATOM 0 HD1 TYR A 91 10.290 -15.705 0.136 1.00 62.22 H new ATOM 0 HD2 TYR A 91 6.333 -14.353 -0.694 1.00 54.53 H new ATOM 0 HE1 TYR A 91 10.859 -13.491 1.029 1.00 75.43 H new ATOM 0 HE2 TYR A 91 6.906 -12.134 0.185 1.00 75.50 H new ATOM 0 HH TYR A 91 8.465 -10.846 1.099 1.00 71.32 H new ATOM 1448 N GLN A 92 9.580 -19.182 -2.491 1.00 41.41 N ATOM 1449 CA GLN A 92 9.513 -20.617 -2.789 1.00 53.14 C ATOM 1450 C GLN A 92 8.964 -21.411 -1.593 1.00 72.50 C ATOM 1451 O GLN A 92 9.629 -21.546 -0.562 1.00 21.44 O ATOM 1452 CB GLN A 92 10.906 -21.141 -3.183 1.00 13.12 C ATOM 1453 CG GLN A 92 10.953 -22.639 -3.479 1.00 23.03 C ATOM 1454 CD GLN A 92 10.035 -23.059 -4.617 1.00 44.30 C ATOM 1455 OE1 GLN A 92 9.772 -22.292 -5.539 1.00 14.04 O ATOM 1456 NE2 GLN A 92 9.547 -24.283 -4.568 1.00 15.03 N ATOM 0 H GLN A 92 10.514 -18.846 -2.255 1.00 41.41 H new ATOM 0 HA GLN A 92 8.829 -20.757 -3.626 1.00 53.14 H new ATOM 0 HB2 GLN A 92 11.250 -20.598 -4.063 1.00 13.12 H new ATOM 0 HB3 GLN A 92 11.606 -20.919 -2.377 1.00 13.12 H new ATOM 0 HG2 GLN A 92 11.977 -22.921 -3.725 1.00 23.03 H new ATOM 0 HG3 GLN A 92 10.678 -23.189 -2.579 1.00 23.03 H new ATOM 0 HE21 GLN A 92 9.785 -24.896 -3.788 1.00 15.03 H new ATOM 0 HE22 GLN A 92 8.932 -24.617 -5.310 1.00 15.03 H new ATOM 1465 N GLY A 93 7.748 -21.938 -1.736 1.00 44.53 N ATOM 1466 CA GLY A 93 7.126 -22.706 -0.661 1.00 54.02 C ATOM 1467 C GLY A 93 6.429 -21.830 0.376 1.00 72.24 C ATOM 1468 O GLY A 93 6.587 -22.030 1.585 1.00 31.31 O ATOM 0 H GLY A 93 7.180 -21.848 -2.578 1.00 44.53 H new ATOM 0 HA2 GLY A 93 6.401 -23.398 -1.090 1.00 54.02 H new ATOM 0 HA3 GLY A 93 7.887 -23.309 -0.166 1.00 54.02 H new ATOM 1472 N ALA A 94 5.652 -20.859 -0.096 1.00 2.34 N ATOM 1473 CA ALA A 94 4.930 -19.944 0.794 1.00 31.31 C ATOM 1474 C ALA A 94 3.611 -19.458 0.167 1.00 25.31 C ATOM 1475 O ALA A 94 3.611 -18.667 -0.776 1.00 35.33 O ATOM 1476 CB ALA A 94 5.818 -18.755 1.150 1.00 22.31 C ATOM 0 H ALA A 94 5.504 -20.682 -1.090 1.00 2.34 H new ATOM 0 HA ALA A 94 4.677 -20.492 1.702 1.00 31.31 H new ATOM 0 HB1 ALA A 94 5.275 -18.080 1.811 1.00 22.31 H new ATOM 0 HB2 ALA A 94 6.717 -19.110 1.653 1.00 22.31 H new ATOM 0 HB3 ALA A 94 6.097 -18.224 0.240 1.00 22.31 H new ATOM 1482 N ASP A 95 2.490 -19.938 0.701 1.00 42.53 N ATOM 1483 CA ASP A 95 1.162 -19.539 0.222 1.00 62.20 C ATOM 1484 C ASP A 95 0.744 -18.174 0.803 1.00 13.21 C ATOM 1485 O ASP A 95 -0.221 -18.064 1.564 1.00 24.01 O ATOM 1486 CB ASP A 95 0.135 -20.630 0.571 1.00 12.52 C ATOM 1487 CG ASP A 95 0.144 -20.993 2.050 1.00 72.41 C ATOM 1488 OD1 ASP A 95 1.131 -21.602 2.512 1.00 32.21 O ATOM 1489 OD2 ASP A 95 -0.835 -20.668 2.757 1.00 55.31 O ATOM 0 H ASP A 95 2.472 -20.608 1.470 1.00 42.53 H new ATOM 0 HA ASP A 95 1.201 -19.428 -0.862 1.00 62.20 H new ATOM 0 HB2 ASP A 95 -0.861 -20.288 0.291 1.00 12.52 H new ATOM 0 HB3 ASP A 95 0.344 -21.522 -0.019 1.00 12.52 H new ATOM 1494 N VAL A 96 1.485 -17.133 0.434 1.00 32.23 N ATOM 1495 CA VAL A 96 1.229 -15.777 0.931 1.00 64.51 C ATOM 1496 C VAL A 96 0.346 -14.981 -0.053 1.00 63.40 C ATOM 1497 O VAL A 96 0.218 -15.345 -1.221 1.00 30.52 O ATOM 1498 CB VAL A 96 2.564 -15.022 1.180 1.00 21.45 C ATOM 1499 CG1 VAL A 96 2.330 -13.700 1.911 1.00 45.54 C ATOM 1500 CG2 VAL A 96 3.547 -15.903 1.952 1.00 14.24 C ATOM 0 H VAL A 96 2.273 -17.200 -0.211 1.00 32.23 H new ATOM 0 HA VAL A 96 0.694 -15.866 1.877 1.00 64.51 H new ATOM 0 HB VAL A 96 3.000 -14.789 0.209 1.00 21.45 H new ATOM 0 HG11 VAL A 96 3.284 -13.198 2.069 1.00 45.54 H new ATOM 0 HG12 VAL A 96 1.680 -13.063 1.312 1.00 45.54 H new ATOM 0 HG13 VAL A 96 1.859 -13.895 2.874 1.00 45.54 H new ATOM 0 HG21 VAL A 96 4.475 -15.355 2.116 1.00 14.24 H new ATOM 0 HG22 VAL A 96 3.113 -16.177 2.914 1.00 14.24 H new ATOM 0 HG23 VAL A 96 3.755 -16.806 1.378 1.00 14.24 H new ATOM 1510 N ASP A 97 -0.262 -13.899 0.432 1.00 73.21 N ATOM 1511 CA ASP A 97 -1.188 -13.080 -0.364 1.00 64.42 C ATOM 1512 C ASP A 97 -0.545 -12.470 -1.629 1.00 34.11 C ATOM 1513 O ASP A 97 0.676 -12.486 -1.807 1.00 41.24 O ATOM 1514 CB ASP A 97 -1.756 -11.971 0.519 1.00 51.41 C ATOM 1515 CG ASP A 97 -2.577 -12.535 1.661 1.00 65.44 C ATOM 1516 OD1 ASP A 97 -3.779 -12.806 1.455 1.00 11.54 O ATOM 1517 OD2 ASP A 97 -2.024 -12.720 2.768 1.00 72.34 O ATOM 0 H ASP A 97 -0.130 -13.562 1.386 1.00 73.21 H new ATOM 0 HA ASP A 97 -1.979 -13.742 -0.717 1.00 64.42 H new ATOM 0 HB2 ASP A 97 -0.940 -11.369 0.919 1.00 51.41 H new ATOM 0 HB3 ASP A 97 -2.376 -11.307 -0.083 1.00 51.41 H new ATOM 1522 N TRP A 98 -1.391 -11.912 -2.502 1.00 23.52 N ATOM 1523 CA TRP A 98 -0.931 -11.346 -3.777 1.00 53.45 C ATOM 1524 C TRP A 98 -0.900 -9.806 -3.743 1.00 4.25 C ATOM 1525 O TRP A 98 -1.733 -9.156 -3.088 1.00 13.44 O ATOM 1526 CB TRP A 98 -1.786 -11.865 -4.953 1.00 44.14 C ATOM 1527 CG TRP A 98 -3.248 -11.498 -4.911 1.00 45.41 C ATOM 1528 CD1 TRP A 98 -4.140 -11.770 -3.915 1.00 32.33 C ATOM 1529 CD2 TRP A 98 -3.993 -10.834 -5.941 1.00 32.31 C ATOM 1530 NE1 TRP A 98 -5.382 -11.291 -4.250 1.00 23.54 N ATOM 1531 CE2 TRP A 98 -5.320 -10.717 -5.488 1.00 24.41 C ATOM 1532 CE3 TRP A 98 -3.664 -10.317 -7.196 1.00 53.34 C ATOM 1533 CZ2 TRP A 98 -6.317 -10.110 -6.246 1.00 40.24 C ATOM 1534 CZ3 TRP A 98 -4.656 -9.718 -7.950 1.00 12.54 C ATOM 1535 CH2 TRP A 98 -5.968 -9.618 -7.471 1.00 3.30 C ATOM 0 H TRP A 98 -2.397 -11.840 -2.350 1.00 23.52 H new ATOM 0 HA TRP A 98 0.094 -11.683 -3.932 1.00 53.45 H new ATOM 0 HB2 TRP A 98 -1.362 -11.485 -5.882 1.00 44.14 H new ATOM 0 HB3 TRP A 98 -1.704 -12.951 -4.986 1.00 44.14 H new ATOM 0 HD1 TRP A 98 -3.903 -12.287 -2.997 1.00 32.33 H new ATOM 0 HE1 TRP A 98 -6.217 -11.354 -3.668 1.00 23.54 H new ATOM 0 HE3 TRP A 98 -2.653 -10.384 -7.571 1.00 53.34 H new ATOM 0 HZ2 TRP A 98 -7.330 -10.031 -5.879 1.00 40.24 H new ATOM 0 HZ3 TRP A 98 -4.415 -9.321 -8.925 1.00 12.54 H new ATOM 0 HH2 TRP A 98 -6.720 -9.142 -8.083 1.00 3.30 H new ATOM 1546 N TYR A 99 0.076 -9.232 -4.459 1.00 51.14 N ATOM 1547 CA TYR A 99 0.363 -7.793 -4.395 1.00 64.02 C ATOM 1548 C TYR A 99 0.042 -7.057 -5.711 1.00 65.23 C ATOM 1549 O TYR A 99 0.511 -7.428 -6.792 1.00 34.14 O ATOM 1550 CB TYR A 99 1.834 -7.564 -4.009 1.00 4.43 C ATOM 1551 CG TYR A 99 2.151 -7.912 -2.566 1.00 25.10 C ATOM 1552 CD1 TYR A 99 2.358 -9.229 -2.167 1.00 51.23 C ATOM 1553 CD2 TYR A 99 2.240 -6.914 -1.600 1.00 13.00 C ATOM 1554 CE1 TYR A 99 2.644 -9.540 -0.851 1.00 12.10 C ATOM 1555 CE2 TYR A 99 2.526 -7.220 -0.282 1.00 0.40 C ATOM 1556 CZ TYR A 99 2.729 -8.532 0.086 1.00 22.35 C ATOM 1557 OH TYR A 99 3.016 -8.839 1.397 1.00 4.42 O ATOM 0 H TYR A 99 0.685 -9.748 -5.094 1.00 51.14 H new ATOM 0 HA TYR A 99 -0.291 -7.375 -3.630 1.00 64.02 H new ATOM 0 HB2 TYR A 99 2.469 -8.160 -4.664 1.00 4.43 H new ATOM 0 HB3 TYR A 99 2.087 -6.519 -4.185 1.00 4.43 H new ATOM 0 HD1 TYR A 99 2.294 -10.021 -2.898 1.00 51.23 H new ATOM 0 HD2 TYR A 99 2.083 -5.884 -1.884 1.00 13.00 H new ATOM 0 HE1 TYR A 99 2.800 -10.568 -0.558 1.00 12.10 H new ATOM 0 HE2 TYR A 99 2.590 -6.434 0.456 1.00 0.40 H new ATOM 0 HH TYR A 99 3.041 -8.016 1.928 1.00 4.42 H new ATOM 1567 N ILE A 100 -0.759 -6.002 -5.589 1.00 12.22 N ATOM 1568 CA ILE A 100 -1.103 -5.124 -6.709 1.00 1.14 C ATOM 1569 C ILE A 100 -0.458 -3.741 -6.520 1.00 50.35 C ATOM 1570 O ILE A 100 -0.776 -3.029 -5.568 1.00 13.01 O ATOM 1571 CB ILE A 100 -2.641 -4.947 -6.820 1.00 3.20 C ATOM 1572 CG1 ILE A 100 -3.338 -6.314 -6.886 1.00 54.13 C ATOM 1573 CG2 ILE A 100 -3.006 -4.095 -8.039 1.00 41.20 C ATOM 1574 CD1 ILE A 100 -4.853 -6.232 -6.865 1.00 43.22 C ATOM 0 H ILE A 100 -1.191 -5.729 -4.706 1.00 12.22 H new ATOM 0 HA ILE A 100 -0.727 -5.587 -7.622 1.00 1.14 H new ATOM 0 HB ILE A 100 -2.988 -4.426 -5.928 1.00 3.20 H new ATOM 0 HG12 ILE A 100 -3.024 -6.828 -7.795 1.00 54.13 H new ATOM 0 HG13 ILE A 100 -3.005 -6.922 -6.045 1.00 54.13 H new ATOM 0 HG21 ILE A 100 -4.089 -3.985 -8.095 1.00 41.20 H new ATOM 0 HG22 ILE A 100 -2.546 -3.111 -7.946 1.00 41.20 H new ATOM 0 HG23 ILE A 100 -2.643 -4.581 -8.945 1.00 41.20 H new ATOM 0 HD11 ILE A 100 -5.272 -7.237 -6.915 1.00 43.22 H new ATOM 0 HD12 ILE A 100 -5.178 -5.748 -5.944 1.00 43.22 H new ATOM 0 HD13 ILE A 100 -5.198 -5.652 -7.721 1.00 43.22 H new ATOM 1586 N LYS A 101 0.451 -3.362 -7.412 1.00 12.05 N ATOM 1587 CA LYS A 101 1.112 -2.056 -7.317 1.00 64.53 C ATOM 1588 C LYS A 101 0.260 -0.961 -7.978 1.00 44.32 C ATOM 1589 O LYS A 101 -0.271 -1.150 -9.071 1.00 75.34 O ATOM 1590 CB LYS A 101 2.509 -2.120 -7.949 1.00 42.41 C ATOM 1591 CG LYS A 101 3.481 -3.030 -7.197 1.00 65.33 C ATOM 1592 CD LYS A 101 4.837 -3.124 -7.896 1.00 60.34 C ATOM 1593 CE LYS A 101 5.558 -1.780 -7.946 1.00 64.12 C ATOM 1594 NZ LYS A 101 5.928 -1.294 -6.593 1.00 64.22 N ATOM 0 H LYS A 101 0.748 -3.932 -8.204 1.00 12.05 H new ATOM 0 HA LYS A 101 1.222 -1.801 -6.263 1.00 64.53 H new ATOM 0 HB2 LYS A 101 2.418 -2.471 -8.977 1.00 42.41 H new ATOM 0 HB3 LYS A 101 2.926 -1.114 -7.991 1.00 42.41 H new ATOM 0 HG2 LYS A 101 3.621 -2.652 -6.184 1.00 65.33 H new ATOM 0 HG3 LYS A 101 3.049 -4.027 -7.109 1.00 65.33 H new ATOM 0 HD2 LYS A 101 5.462 -3.850 -7.375 1.00 60.34 H new ATOM 0 HD3 LYS A 101 4.695 -3.495 -8.911 1.00 60.34 H new ATOM 0 HE2 LYS A 101 6.457 -1.874 -8.555 1.00 64.12 H new ATOM 0 HE3 LYS A 101 4.918 -1.044 -8.433 1.00 64.12 H new ATOM 0 HZ1 LYS A 101 5.720 -0.277 -6.520 1.00 64.22 H new ATOM 0 HZ2 LYS A 101 5.380 -1.811 -5.876 1.00 64.22 H new ATOM 0 HZ3 LYS A 101 6.943 -1.452 -6.433 1.00 64.22 H new ATOM 1608 N ALA A 102 0.120 0.179 -7.310 1.00 21.21 N ATOM 1609 CA ALA A 102 -0.727 1.265 -7.807 1.00 1.22 C ATOM 1610 C ALA A 102 0.031 2.595 -7.897 1.00 5.34 C ATOM 1611 O ALA A 102 0.884 2.901 -7.064 1.00 22.25 O ATOM 1612 CB ALA A 102 -1.958 1.415 -6.920 1.00 54.02 C ATOM 0 H ALA A 102 0.581 0.378 -6.422 1.00 21.21 H new ATOM 0 HA ALA A 102 -1.038 1.002 -8.818 1.00 1.22 H new ATOM 0 HB1 ALA A 102 -2.582 2.225 -7.297 1.00 54.02 H new ATOM 0 HB2 ALA A 102 -2.527 0.485 -6.927 1.00 54.02 H new ATOM 0 HB3 ALA A 102 -1.646 1.642 -5.900 1.00 54.02 H new ATOM 1618 N ASP A 103 -0.290 3.377 -8.921 1.00 31.52 N ATOM 1619 CA ASP A 103 0.293 4.712 -9.107 1.00 51.54 C ATOM 1620 C ASP A 103 -0.123 5.672 -7.972 1.00 1.32 C ATOM 1621 O ASP A 103 0.684 6.472 -7.493 1.00 45.21 O ATOM 1622 CB ASP A 103 -0.153 5.263 -10.466 1.00 0.31 C ATOM 1623 CG ASP A 103 0.548 6.551 -10.855 1.00 72.21 C ATOM 1624 OD1 ASP A 103 1.797 6.597 -10.808 1.00 3.42 O ATOM 1625 OD2 ASP A 103 -0.142 7.520 -11.222 1.00 10.42 O ATOM 0 H ASP A 103 -0.957 3.111 -9.645 1.00 31.52 H new ATOM 0 HA ASP A 103 1.380 4.630 -9.079 1.00 51.54 H new ATOM 0 HB2 ASP A 103 0.033 4.511 -11.233 1.00 0.31 H new ATOM 0 HB3 ASP A 103 -1.229 5.436 -10.444 1.00 0.31 H new ATOM 1630 N ASP A 104 -1.389 5.583 -7.553 1.00 3.22 N ATOM 1631 CA ASP A 104 -1.920 6.409 -6.458 1.00 71.05 C ATOM 1632 C ASP A 104 -3.325 5.926 -6.038 1.00 44.24 C ATOM 1633 O ASP A 104 -3.998 5.208 -6.787 1.00 64.51 O ATOM 1634 CB ASP A 104 -1.960 7.892 -6.874 1.00 41.10 C ATOM 1635 CG ASP A 104 -2.501 8.803 -5.777 1.00 75.53 C ATOM 1636 OD1 ASP A 104 -2.090 8.643 -4.608 1.00 4.51 O ATOM 1637 OD2 ASP A 104 -3.342 9.674 -6.077 1.00 14.30 O ATOM 0 H ASP A 104 -2.072 4.943 -7.958 1.00 3.22 H new ATOM 0 HA ASP A 104 -1.256 6.307 -5.600 1.00 71.05 H new ATOM 0 HB2 ASP A 104 -0.955 8.215 -7.144 1.00 41.10 H new ATOM 0 HB3 ASP A 104 -2.579 7.997 -7.765 1.00 41.10 H new ATOM 1642 N ILE A 105 -3.758 6.322 -4.838 1.00 53.42 N ATOM 1643 CA ILE A 105 -5.057 5.900 -4.290 1.00 61.23 C ATOM 1644 C ILE A 105 -5.941 7.114 -3.948 1.00 11.21 C ATOM 1645 O ILE A 105 -5.556 7.965 -3.146 1.00 30.51 O ATOM 1646 CB ILE A 105 -4.881 5.043 -3.002 1.00 74.12 C ATOM 1647 CG1 ILE A 105 -3.866 3.911 -3.237 1.00 44.21 C ATOM 1648 CG2 ILE A 105 -6.230 4.474 -2.546 1.00 51.25 C ATOM 1649 CD1 ILE A 105 -3.601 3.050 -2.016 1.00 45.32 C ATOM 0 H ILE A 105 -3.227 6.938 -4.222 1.00 53.42 H new ATOM 0 HA ILE A 105 -5.539 5.301 -5.063 1.00 61.23 H new ATOM 0 HB ILE A 105 -4.495 5.687 -2.212 1.00 74.12 H new ATOM 0 HG12 ILE A 105 -4.229 3.275 -4.044 1.00 44.21 H new ATOM 0 HG13 ILE A 105 -2.925 4.346 -3.572 1.00 44.21 H new ATOM 0 HG21 ILE A 105 -6.087 3.878 -1.645 1.00 51.25 H new ATOM 0 HG22 ILE A 105 -6.918 5.293 -2.334 1.00 51.25 H new ATOM 0 HG23 ILE A 105 -6.645 3.846 -3.334 1.00 51.25 H new ATOM 0 HD11 ILE A 105 -2.875 2.277 -2.267 1.00 45.32 H new ATOM 0 HD12 ILE A 105 -3.207 3.671 -1.212 1.00 45.32 H new ATOM 0 HD13 ILE A 105 -4.531 2.583 -1.691 1.00 45.32 H new ATOM 1661 N VAL A 106 -7.130 7.179 -4.547 1.00 13.55 N ATOM 1662 CA VAL A 106 -8.078 8.277 -4.287 1.00 71.43 C ATOM 1663 C VAL A 106 -9.454 7.731 -3.871 1.00 4.35 C ATOM 1664 O VAL A 106 -9.667 6.525 -3.851 1.00 24.45 O ATOM 1665 CB VAL A 106 -8.242 9.195 -5.530 1.00 72.33 C ATOM 1666 CG1 VAL A 106 -6.906 9.831 -5.920 1.00 61.15 C ATOM 1667 CG2 VAL A 106 -8.840 8.422 -6.706 1.00 21.25 C ATOM 0 H VAL A 106 -7.465 6.487 -5.217 1.00 13.55 H new ATOM 0 HA VAL A 106 -7.664 8.867 -3.469 1.00 71.43 H new ATOM 0 HB VAL A 106 -8.933 9.996 -5.266 1.00 72.33 H new ATOM 0 HG11 VAL A 106 -7.048 10.469 -6.793 1.00 61.15 H new ATOM 0 HG12 VAL A 106 -6.532 10.430 -5.090 1.00 61.15 H new ATOM 0 HG13 VAL A 106 -6.185 9.048 -6.156 1.00 61.15 H new ATOM 0 HG21 VAL A 106 -8.944 9.087 -7.563 1.00 21.25 H new ATOM 0 HG22 VAL A 106 -8.183 7.593 -6.968 1.00 21.25 H new ATOM 0 HG23 VAL A 106 -9.820 8.034 -6.426 1.00 21.25 H new ATOM 1677 N LEU A 107 -10.386 8.621 -3.538 1.00 51.24 N ATOM 1678 CA LEU A 107 -11.750 8.205 -3.167 1.00 62.15 C ATOM 1679 C LEU A 107 -12.572 7.806 -4.405 1.00 51.52 C ATOM 1680 O LEU A 107 -12.413 8.390 -5.480 1.00 1.41 O ATOM 1681 CB LEU A 107 -12.465 9.333 -2.407 1.00 2.22 C ATOM 1682 CG LEU A 107 -11.840 9.717 -1.056 1.00 63.14 C ATOM 1683 CD1 LEU A 107 -12.586 10.894 -0.432 1.00 23.12 C ATOM 1684 CD2 LEU A 107 -11.830 8.519 -0.108 1.00 53.35 C ATOM 0 H LEU A 107 -10.231 9.629 -3.515 1.00 51.24 H new ATOM 0 HA LEU A 107 -11.665 7.332 -2.519 1.00 62.15 H new ATOM 0 HB2 LEU A 107 -12.488 10.218 -3.042 1.00 2.22 H new ATOM 0 HB3 LEU A 107 -13.500 9.035 -2.238 1.00 2.22 H new ATOM 0 HG LEU A 107 -10.808 10.022 -1.231 1.00 63.14 H new ATOM 0 HD11 LEU A 107 -12.128 11.150 0.523 1.00 23.12 H new ATOM 0 HD12 LEU A 107 -12.535 11.753 -1.101 1.00 23.12 H new ATOM 0 HD13 LEU A 107 -13.629 10.620 -0.272 1.00 23.12 H new ATOM 0 HD21 LEU A 107 -11.384 8.811 0.843 1.00 53.35 H new ATOM 0 HD22 LEU A 107 -12.852 8.179 0.060 1.00 53.35 H new ATOM 0 HD23 LEU A 107 -11.247 7.711 -0.549 1.00 53.35 H new ATOM 1696 N THR A 108 -13.452 6.813 -4.252 1.00 61.05 N ATOM 1697 CA THR A 108 -14.322 6.386 -5.357 1.00 3.02 C ATOM 1698 C THR A 108 -15.260 7.525 -5.787 1.00 30.22 C ATOM 1699 O THR A 108 -16.069 8.008 -4.989 1.00 43.10 O ATOM 1700 CB THR A 108 -15.180 5.146 -4.991 1.00 51.33 C ATOM 1701 OG1 THR A 108 -14.368 4.136 -4.379 1.00 52.13 O ATOM 1702 CG2 THR A 108 -15.848 4.563 -6.234 1.00 5.41 C ATOM 0 H THR A 108 -13.582 6.293 -3.384 1.00 61.05 H new ATOM 0 HA THR A 108 -13.659 6.116 -6.179 1.00 3.02 H new ATOM 0 HB THR A 108 -15.948 5.470 -4.289 1.00 51.33 H new ATOM 0 HG1 THR A 108 -14.924 3.362 -4.153 1.00 52.13 H new ATOM 0 HG21 THR A 108 -16.444 3.695 -5.953 1.00 5.41 H new ATOM 0 HG22 THR A 108 -16.494 5.315 -6.687 1.00 5.41 H new ATOM 0 HG23 THR A 108 -15.084 4.262 -6.950 1.00 5.41 H new ATOM 1710 N LEU A 109 -15.144 7.942 -7.054 1.00 11.45 N ATOM 1711 CA LEU A 109 -15.886 9.097 -7.585 1.00 5.25 C ATOM 1712 C LEU A 109 -15.516 10.386 -6.833 1.00 64.42 C ATOM 1713 O LEU A 109 -16.356 11.266 -6.619 1.00 35.24 O ATOM 1714 CB LEU A 109 -17.404 8.849 -7.531 1.00 43.45 C ATOM 1715 CG LEU A 109 -17.901 7.643 -8.350 1.00 52.21 C ATOM 1716 CD1 LEU A 109 -19.421 7.540 -8.294 1.00 64.10 C ATOM 1717 CD2 LEU A 109 -17.421 7.727 -9.797 1.00 30.53 C ATOM 0 H LEU A 109 -14.537 7.492 -7.739 1.00 11.45 H new ATOM 0 HA LEU A 109 -15.601 9.224 -8.629 1.00 5.25 H new ATOM 0 HB2 LEU A 109 -17.696 8.706 -6.491 1.00 43.45 H new ATOM 0 HB3 LEU A 109 -17.915 9.744 -7.886 1.00 43.45 H new ATOM 0 HG LEU A 109 -17.480 6.741 -7.906 1.00 52.21 H new ATOM 0 HD11 LEU A 109 -19.749 6.681 -8.879 1.00 64.10 H new ATOM 0 HD12 LEU A 109 -19.739 7.417 -7.259 1.00 64.10 H new ATOM 0 HD13 LEU A 109 -19.863 8.448 -8.704 1.00 64.10 H new ATOM 0 HD21 LEU A 109 -17.786 6.863 -10.352 1.00 30.53 H new ATOM 0 HD22 LEU A 109 -17.802 8.640 -10.254 1.00 30.53 H new ATOM 0 HD23 LEU A 109 -16.331 7.738 -9.819 1.00 30.53 H new ATOM 1729 N GLU A 110 -14.240 10.487 -6.455 1.00 72.51 N ATOM 1730 CA GLU A 110 -13.703 11.672 -5.764 1.00 72.44 C ATOM 1731 C GLU A 110 -13.960 12.973 -6.553 1.00 33.32 C ATOM 1732 O GLU A 110 -13.412 13.117 -7.673 1.00 38.04 O ATOM 1733 CB GLU A 110 -12.195 11.496 -5.525 1.00 43.14 C ATOM 1734 CG GLU A 110 -11.553 12.624 -4.727 1.00 73.43 C ATOM 1735 CD GLU A 110 -10.047 12.471 -4.610 1.00 43.43 C ATOM 1736 OE1 GLU A 110 -9.580 11.809 -3.661 1.00 54.55 O ATOM 1737 OE2 GLU A 110 -9.321 13.012 -5.472 1.00 31.21 O ATOM 0 H GLU A 110 -13.548 9.755 -6.616 1.00 72.51 H new ATOM 0 HA GLU A 110 -14.223 11.760 -4.810 1.00 72.44 H new ATOM 0 HB2 GLU A 110 -12.029 10.555 -5.001 1.00 43.14 H new ATOM 0 HB3 GLU A 110 -11.693 11.416 -6.489 1.00 43.14 H new ATOM 0 HG2 GLU A 110 -11.782 13.577 -5.203 1.00 73.43 H new ATOM 0 HG3 GLU A 110 -11.990 12.653 -3.729 1.00 73.43 H new TER 1744 GLU A 110