USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -78:sc= 0.825 USER MOD Set 1.2: A 71 MET CE :methyl 150:sc= -0.381 (180deg=-3.73!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0563 (180deg=0) USER MOD Single : A 4 SER OG : rot 63:sc= 0.204 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.4!) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0704) USER MOD Single : A 18 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0113) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 1.71 (180deg=1.39) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.24! K(o=-3.2!,f=-0.17) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 147:sc= -0.264 (180deg=-1.17) USER MOD Single : A 87 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.028) USER MOD Single : A 91 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.53) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00578 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.065 -0.303 -2.733 1.00 73.34 N ATOM 2 CA GLY A 1 8.121 0.322 -1.389 1.00 62.13 C ATOM 3 C GLY A 1 8.421 -0.684 -0.293 1.00 61.10 C ATOM 4 O GLY A 1 8.829 -1.813 -0.582 1.00 24.12 O ATOM 0 H1 GLY A 1 8.689 0.216 -3.383 1.00 73.34 H new ATOM 0 H2 GLY A 1 8.378 -1.293 -2.669 1.00 73.34 H new ATOM 0 H3 GLY A 1 7.089 -0.271 -3.090 1.00 73.34 H new ATOM 0 HA2 GLY A 1 8.886 1.099 -1.384 1.00 62.13 H new ATOM 0 HA3 GLY A 1 7.170 0.811 -1.179 1.00 62.13 H new ATOM 10 N PRO A 2 8.226 -0.294 0.980 1.00 54.02 N ATOM 11 CA PRO A 2 8.496 -1.158 2.131 1.00 54.14 C ATOM 12 C PRO A 2 7.369 -2.164 2.377 1.00 12.11 C ATOM 13 O PRO A 2 6.548 -2.424 1.494 1.00 30.53 O ATOM 14 CB PRO A 2 8.602 -0.154 3.285 1.00 64.44 C ATOM 15 CG PRO A 2 7.671 0.946 2.903 1.00 74.42 C ATOM 16 CD PRO A 2 7.718 1.032 1.395 1.00 51.33 C ATOM 0 HA PRO A 2 9.386 -1.772 1.998 1.00 54.14 H new ATOM 0 HB2 PRO A 2 8.315 -0.607 4.234 1.00 64.44 H new ATOM 0 HB3 PRO A 2 9.622 0.211 3.402 1.00 64.44 H new ATOM 0 HG2 PRO A 2 6.659 0.738 3.250 1.00 74.42 H new ATOM 0 HG3 PRO A 2 7.976 1.889 3.357 1.00 74.42 H new ATOM 0 HD2 PRO A 2 6.732 1.232 0.975 1.00 51.33 H new ATOM 0 HD3 PRO A 2 8.375 1.835 1.061 1.00 51.33 H new ATOM 24 N GLY A 3 7.328 -2.718 3.584 1.00 32.55 N ATOM 25 CA GLY A 3 6.340 -3.727 3.918 1.00 61.02 C ATOM 26 C GLY A 3 6.924 -5.117 3.823 1.00 31.51 C ATOM 27 O GLY A 3 6.983 -5.847 4.815 1.00 24.10 O ATOM 0 H GLY A 3 7.968 -2.483 4.343 1.00 32.55 H new ATOM 0 HA2 GLY A 3 5.968 -3.555 4.928 1.00 61.02 H new ATOM 0 HA3 GLY A 3 5.487 -3.641 3.245 1.00 61.02 H new ATOM 31 N SER A 4 7.374 -5.480 2.630 1.00 41.20 N ATOM 32 CA SER A 4 8.037 -6.757 2.414 1.00 34.13 C ATOM 33 C SER A 4 9.550 -6.567 2.534 1.00 22.30 C ATOM 34 O SER A 4 10.081 -5.512 2.177 1.00 41.31 O ATOM 35 CB SER A 4 7.664 -7.329 1.039 1.00 5.34 C ATOM 36 OG SER A 4 8.101 -8.671 0.905 1.00 55.43 O ATOM 0 H SER A 4 7.291 -4.904 1.793 1.00 41.20 H new ATOM 0 HA SER A 4 7.708 -7.469 3.171 1.00 34.13 H new ATOM 0 HB2 SER A 4 6.584 -7.281 0.903 1.00 5.34 H new ATOM 0 HB3 SER A 4 8.111 -6.718 0.255 1.00 5.34 H new ATOM 0 HG SER A 4 7.639 -9.233 1.562 1.00 55.43 H new ATOM 42 N MET A 5 10.232 -7.578 3.058 1.00 64.41 N ATOM 43 CA MET A 5 11.674 -7.510 3.297 1.00 24.34 C ATOM 44 C MET A 5 12.406 -8.623 2.551 1.00 51.43 C ATOM 45 O MET A 5 13.541 -8.448 2.112 1.00 54.22 O ATOM 46 CB MET A 5 11.966 -7.644 4.795 1.00 2.21 C ATOM 47 CG MET A 5 11.555 -9.001 5.356 1.00 62.13 C ATOM 48 SD MET A 5 12.136 -9.295 7.032 1.00 65.44 S ATOM 49 CE MET A 5 11.653 -11.011 7.215 1.00 30.13 C ATOM 0 H MET A 5 9.807 -8.465 3.329 1.00 64.41 H new ATOM 0 HA MET A 5 12.027 -6.545 2.933 1.00 24.34 H new ATOM 0 HB2 MET A 5 13.031 -7.491 4.968 1.00 2.21 H new ATOM 0 HB3 MET A 5 11.439 -6.857 5.335 1.00 2.21 H new ATOM 0 HG2 MET A 5 10.468 -9.077 5.339 1.00 62.13 H new ATOM 0 HG3 MET A 5 11.940 -9.786 4.704 1.00 62.13 H new ATOM 0 HE1 MET A 5 11.938 -11.365 8.206 1.00 30.13 H new ATOM 0 HE2 MET A 5 10.573 -11.100 7.094 1.00 30.13 H new ATOM 0 HE3 MET A 5 12.154 -11.613 6.457 1.00 30.13 H new ATOM 59 N VAL A 6 11.741 -9.773 2.433 1.00 42.23 N ATOM 60 CA VAL A 6 12.339 -10.973 1.847 1.00 64.21 C ATOM 61 C VAL A 6 12.765 -10.763 0.392 1.00 41.01 C ATOM 62 O VAL A 6 12.428 -9.755 -0.234 1.00 75.33 O ATOM 63 CB VAL A 6 11.364 -12.172 1.922 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.156 -12.613 3.367 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.030 -11.821 1.269 1.00 11.52 C ATOM 0 H VAL A 6 10.776 -9.899 2.740 1.00 42.23 H new ATOM 0 HA VAL A 6 13.231 -11.187 2.436 1.00 64.21 H new ATOM 0 HB VAL A 6 11.806 -13.004 1.374 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.467 -13.457 3.394 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.112 -12.911 3.798 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.740 -11.787 3.943 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.358 -12.677 1.332 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.584 -10.971 1.786 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.194 -11.564 0.222 1.00 11.52 H new ATOM 75 N ASN A 7 13.511 -11.739 -0.122 1.00 53.22 N ATOM 76 CA ASN A 7 13.978 -11.745 -1.511 1.00 71.21 C ATOM 77 C ASN A 7 12.833 -11.504 -2.489 1.00 44.52 C ATOM 78 O ASN A 7 11.713 -11.946 -2.248 1.00 33.22 O ATOM 79 CB ASN A 7 14.659 -13.089 -1.818 1.00 54.12 C ATOM 80 CG ASN A 7 16.125 -13.109 -1.418 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.801 -12.080 -1.435 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.628 -14.279 -1.054 1.00 52.12 N ATOM 0 H ASN A 7 13.811 -12.553 0.414 1.00 53.22 H new ATOM 0 HA ASN A 7 14.694 -10.932 -1.633 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.133 -13.886 -1.293 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.575 -13.299 -2.884 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.607 -14.349 -0.775 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.037 -15.110 -1.053 1.00 52.12 H new ATOM 89 N ALA A 8 13.141 -10.829 -3.598 1.00 60.32 N ATOM 90 CA ALA A 8 12.145 -10.434 -4.600 1.00 3.34 C ATOM 91 C ALA A 8 11.158 -11.557 -4.921 1.00 60.24 C ATOM 92 O ALA A 8 9.945 -11.340 -4.939 1.00 14.22 O ATOM 93 CB ALA A 8 12.837 -9.966 -5.877 1.00 31.02 C ATOM 0 H ALA A 8 14.091 -10.539 -3.829 1.00 60.32 H new ATOM 0 HA ALA A 8 11.571 -9.613 -4.171 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.086 -9.676 -6.612 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.475 -9.111 -5.653 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.445 -10.776 -6.279 1.00 31.02 H new ATOM 99 N PHE A 9 11.685 -12.755 -5.173 1.00 32.01 N ATOM 100 CA PHE A 9 10.844 -13.907 -5.494 1.00 51.44 C ATOM 101 C PHE A 9 9.876 -14.200 -4.347 1.00 64.40 C ATOM 102 O PHE A 9 8.663 -14.271 -4.544 1.00 61.22 O ATOM 103 CB PHE A 9 11.715 -15.141 -5.792 1.00 13.33 C ATOM 104 CG PHE A 9 10.930 -16.412 -6.036 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.366 -16.667 -7.278 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.764 -17.353 -5.027 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.660 -17.833 -7.508 1.00 51.30 C ATOM 108 CE2 PHE A 9 10.057 -18.518 -5.255 1.00 44.20 C ATOM 109 CZ PHE A 9 9.505 -18.760 -6.496 1.00 62.30 C ATOM 0 H PHE A 9 12.686 -12.952 -5.161 1.00 32.01 H new ATOM 0 HA PHE A 9 10.261 -13.672 -6.384 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.331 -14.934 -6.667 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.395 -15.302 -4.955 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.480 -15.946 -8.074 1.00 74.23 H new ATOM 0 HD2 PHE A 9 11.193 -17.171 -4.053 1.00 60.44 H new ATOM 0 HE1 PHE A 9 9.229 -18.019 -8.481 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.936 -19.240 -4.461 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.954 -19.671 -6.675 1.00 62.30 H new ATOM 119 N LEU A 10 10.428 -14.334 -3.146 1.00 11.31 N ATOM 120 CA LEU A 10 9.644 -14.661 -1.956 1.00 65.43 C ATOM 121 C LEU A 10 8.602 -13.574 -1.684 1.00 12.34 C ATOM 122 O LEU A 10 7.459 -13.868 -1.330 1.00 22.41 O ATOM 123 CB LEU A 10 10.566 -14.836 -0.737 1.00 53.03 C ATOM 124 CG LEU A 10 11.460 -16.093 -0.737 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.604 -17.358 -0.770 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.449 -16.081 -1.901 1.00 5.43 C ATOM 0 H LEU A 10 11.426 -14.220 -2.968 1.00 11.31 H new ATOM 0 HA LEU A 10 9.123 -15.601 -2.135 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.208 -13.958 -0.664 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.948 -14.855 0.161 1.00 53.03 H new ATOM 0 HG LEU A 10 12.040 -16.087 0.186 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.251 -18.235 -0.770 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.958 -17.383 0.108 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.991 -17.359 -1.672 1.00 60.00 H new ATOM 0 HD21 LEU A 10 13.061 -16.982 -1.868 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.902 -16.049 -2.843 1.00 5.43 H new ATOM 0 HD23 LEU A 10 13.091 -15.203 -1.824 1.00 5.43 H new ATOM 138 N ALA A 11 9.018 -12.321 -1.850 1.00 51.23 N ATOM 139 CA ALA A 11 8.130 -11.171 -1.708 1.00 43.20 C ATOM 140 C ALA A 11 6.935 -11.288 -2.653 1.00 60.02 C ATOM 141 O ALA A 11 5.794 -11.028 -2.263 1.00 21.33 O ATOM 142 CB ALA A 11 8.901 -9.882 -1.971 1.00 15.33 C ATOM 0 H ALA A 11 9.979 -12.075 -2.086 1.00 51.23 H new ATOM 0 HA ALA A 11 7.749 -11.149 -0.687 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.231 -9.029 -1.863 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.718 -9.794 -1.255 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.305 -9.900 -2.983 1.00 15.33 H new ATOM 148 N LYS A 12 7.205 -11.686 -3.895 1.00 75.22 N ATOM 149 CA LYS A 12 6.144 -11.904 -4.870 1.00 3.03 C ATOM 150 C LYS A 12 5.231 -13.007 -4.411 1.00 75.15 C ATOM 151 O LYS A 12 4.015 -12.904 -4.527 1.00 72.25 O ATOM 152 CB LYS A 12 6.704 -12.280 -6.242 1.00 62.31 C ATOM 153 CG LYS A 12 7.419 -11.150 -6.937 1.00 64.45 C ATOM 154 CD LYS A 12 6.521 -9.920 -7.068 1.00 25.11 C ATOM 155 CE LYS A 12 7.221 -8.768 -7.771 1.00 55.23 C ATOM 156 NZ LYS A 12 7.546 -9.085 -9.186 1.00 30.21 N ATOM 0 H LYS A 12 8.146 -11.863 -4.247 1.00 75.22 H new ATOM 0 HA LYS A 12 5.594 -10.967 -4.957 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.393 -13.117 -6.126 1.00 62.31 H new ATOM 0 HB3 LYS A 12 5.887 -12.625 -6.876 1.00 62.31 H new ATOM 0 HG2 LYS A 12 8.318 -10.888 -6.379 1.00 64.45 H new ATOM 0 HG3 LYS A 12 7.741 -11.475 -7.926 1.00 64.45 H new ATOM 0 HD2 LYS A 12 5.621 -10.187 -7.621 1.00 25.11 H new ATOM 0 HD3 LYS A 12 6.202 -9.598 -6.077 1.00 25.11 H new ATOM 0 HE2 LYS A 12 6.585 -7.884 -7.736 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.138 -8.522 -7.236 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.897 -8.229 -9.662 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 8.278 -9.823 -9.217 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.691 -9.424 -9.671 1.00 30.21 H new ATOM 170 N ILE A 13 5.827 -14.071 -3.899 1.00 44.14 N ATOM 171 CA ILE A 13 5.062 -15.217 -3.467 1.00 31.13 C ATOM 172 C ILE A 13 4.069 -14.798 -2.376 1.00 54.15 C ATOM 173 O ILE A 13 2.879 -15.114 -2.437 1.00 11.24 O ATOM 174 CB ILE A 13 5.973 -16.349 -2.926 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.986 -16.798 -3.998 1.00 4.41 C ATOM 176 CG2 ILE A 13 5.138 -17.536 -2.443 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.374 -17.546 -5.160 1.00 1.42 C ATOM 0 H ILE A 13 6.835 -14.160 -3.775 1.00 44.14 H new ATOM 0 HA ILE A 13 4.526 -15.601 -4.335 1.00 31.13 H new ATOM 0 HB ILE A 13 6.529 -15.955 -2.075 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.506 -15.919 -4.380 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.737 -17.433 -3.528 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.799 -18.317 -2.068 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.471 -17.211 -1.644 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.548 -17.927 -3.272 1.00 34.00 H new ATOM 0 HD11 ILE A 13 7.156 -17.824 -5.866 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.879 -18.446 -4.794 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.644 -16.908 -5.659 1.00 1.42 H new ATOM 189 N ALA A 14 4.584 -14.056 -1.396 1.00 10.43 N ATOM 190 CA ALA A 14 3.784 -13.577 -0.275 1.00 65.03 C ATOM 191 C ALA A 14 2.671 -12.646 -0.754 1.00 45.24 C ATOM 192 O ALA A 14 1.511 -12.812 -0.380 1.00 22.51 O ATOM 193 CB ALA A 14 4.673 -12.867 0.741 1.00 21.21 C ATOM 0 H ALA A 14 5.563 -13.772 -1.359 1.00 10.43 H new ATOM 0 HA ALA A 14 3.319 -14.438 0.205 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.064 -12.514 1.573 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.427 -13.561 1.112 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.164 -12.018 0.265 1.00 21.21 H new ATOM 199 N ALA A 15 3.032 -11.677 -1.594 1.00 74.24 N ATOM 200 CA ALA A 15 2.077 -10.699 -2.113 1.00 32.11 C ATOM 201 C ALA A 15 1.008 -11.374 -2.976 1.00 51.43 C ATOM 202 O ALA A 15 -0.174 -11.034 -2.905 1.00 74.42 O ATOM 203 CB ALA A 15 2.808 -9.622 -2.909 1.00 53.00 C ATOM 0 H ALA A 15 3.986 -11.548 -1.932 1.00 74.24 H new ATOM 0 HA ALA A 15 1.574 -10.231 -1.267 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.087 -8.899 -3.291 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.523 -9.114 -2.262 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.337 -10.082 -3.744 1.00 53.00 H new ATOM 209 N TRP A 16 1.444 -12.329 -3.787 1.00 42.31 N ATOM 210 CA TRP A 16 0.558 -13.104 -4.652 1.00 14.44 C ATOM 211 C TRP A 16 -0.472 -13.861 -3.815 1.00 61.31 C ATOM 212 O TRP A 16 -1.672 -13.841 -4.110 1.00 4.24 O ATOM 213 CB TRP A 16 1.412 -14.057 -5.511 1.00 24.40 C ATOM 214 CG TRP A 16 0.726 -15.312 -5.967 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.281 -15.425 -6.882 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.032 -16.644 -5.538 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.625 -16.744 -7.041 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.167 -17.512 -6.224 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.953 -17.183 -4.634 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.200 -18.893 -6.033 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.984 -18.549 -4.447 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.111 -19.391 -5.144 1.00 12.14 C ATOM 0 H TRP A 16 2.427 -12.591 -3.865 1.00 42.31 H new ATOM 0 HA TRP A 16 0.004 -12.440 -5.315 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.757 -13.513 -6.390 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.298 -14.336 -4.940 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.739 -14.598 -7.404 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.351 -17.096 -7.665 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.629 -16.540 -4.091 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.472 -19.547 -6.569 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.693 -18.975 -3.752 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.158 -20.457 -4.976 1.00 12.14 H new ATOM 233 N LEU A 17 0.005 -14.503 -2.758 1.00 61.21 N ATOM 234 CA LEU A 17 -0.868 -15.225 -1.838 1.00 62.45 C ATOM 235 C LEU A 17 -1.795 -14.266 -1.097 1.00 2.03 C ATOM 236 O LEU A 17 -2.993 -14.525 -0.971 1.00 1.20 O ATOM 237 CB LEU A 17 -0.028 -16.045 -0.847 1.00 54.03 C ATOM 238 CG LEU A 17 0.028 -17.547 -1.155 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.105 -18.239 -0.331 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.338 -18.179 -0.896 1.00 20.20 C ATOM 0 H LEU A 17 0.995 -14.540 -2.514 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.490 -15.907 -2.417 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.988 -15.650 -0.837 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.433 -15.907 0.155 1.00 54.03 H new ATOM 0 HG LEU A 17 0.286 -17.675 -2.206 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.120 -19.302 -0.571 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.076 -17.801 -0.561 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.891 -18.110 0.730 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.293 -19.246 -1.116 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.613 -18.035 0.149 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.084 -17.708 -1.536 1.00 20.20 H new ATOM 252 N ASN A 18 -1.235 -13.155 -0.629 1.00 65.13 N ATOM 253 CA ASN A 18 -1.997 -12.160 0.125 1.00 45.11 C ATOM 254 C ASN A 18 -3.068 -11.522 -0.762 1.00 52.24 C ATOM 255 O ASN A 18 -4.107 -11.077 -0.277 1.00 12.31 O ATOM 256 CB ASN A 18 -1.060 -11.080 0.690 1.00 44.01 C ATOM 257 CG ASN A 18 -1.764 -10.155 1.673 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.731 -10.366 2.884 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.427 -9.139 1.153 1.00 62.40 N ATOM 0 H ASN A 18 -0.251 -12.919 -0.758 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.489 -12.662 0.958 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.216 -11.559 1.187 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.653 -10.490 -0.131 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -2.935 -8.497 1.761 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -2.431 -8.996 0.143 1.00 62.40 H new ATOM 266 N ALA A 19 -2.806 -11.482 -2.065 1.00 61.24 N ATOM 267 CA ALA A 19 -3.777 -10.971 -3.026 1.00 24.21 C ATOM 268 C ALA A 19 -4.953 -11.936 -3.146 1.00 11.54 C ATOM 269 O ALA A 19 -6.103 -11.520 -3.303 1.00 11.42 O ATOM 270 CB ALA A 19 -3.119 -10.757 -4.385 1.00 61.32 C ATOM 0 H ALA A 19 -1.929 -11.798 -2.479 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.150 -10.010 -2.671 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.857 -10.376 -5.091 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.306 -10.038 -4.286 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.723 -11.704 -4.751 1.00 61.32 H new ATOM 276 N GLY A 20 -4.652 -13.231 -3.064 1.00 74.52 N ATOM 277 CA GLY A 20 -5.681 -14.253 -3.141 1.00 23.12 C ATOM 278 C GLY A 20 -6.393 -14.448 -1.816 1.00 55.43 C ATOM 279 O GLY A 20 -7.537 -14.907 -1.781 1.00 43.31 O ATOM 0 H GLY A 20 -3.705 -13.591 -2.945 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.408 -13.978 -3.905 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.232 -15.196 -3.453 1.00 23.12 H new ATOM 283 N TYR A 21 -5.711 -14.106 -0.726 1.00 62.21 N ATOM 284 CA TYR A 21 -6.271 -14.229 0.619 1.00 10.20 C ATOM 285 C TYR A 21 -5.903 -13.014 1.474 1.00 4.45 C ATOM 286 O TYR A 21 -5.002 -13.087 2.311 1.00 64.21 O ATOM 287 CB TYR A 21 -5.763 -15.499 1.310 1.00 61.50 C ATOM 288 CG TYR A 21 -6.202 -16.797 0.663 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.489 -17.291 0.851 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.319 -17.545 -0.109 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.880 -18.487 0.290 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.706 -18.743 -0.671 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.986 -19.210 -0.472 1.00 65.41 C ATOM 294 OH TYR A 21 -7.376 -20.403 -1.035 1.00 73.14 O ATOM 0 H TYR A 21 -4.760 -13.738 -0.748 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.355 -14.285 0.517 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.674 -15.472 1.333 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.104 -15.493 2.345 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.193 -16.728 1.446 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.315 -17.182 -0.271 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.883 -18.857 0.446 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.008 -19.313 -1.265 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.145 -20.406 -1.987 1.00 73.14 H new ATOM 304 N PRO A 22 -6.598 -11.879 1.282 1.00 33.03 N ATOM 305 CA PRO A 22 -6.337 -10.658 2.058 1.00 62.52 C ATOM 306 C PRO A 22 -6.840 -10.779 3.496 1.00 1.51 C ATOM 307 O PRO A 22 -6.526 -9.945 4.354 1.00 55.41 O ATOM 308 CB PRO A 22 -7.119 -9.582 1.291 1.00 44.14 C ATOM 309 CG PRO A 22 -8.234 -10.326 0.636 1.00 13.52 C ATOM 310 CD PRO A 22 -7.679 -11.685 0.291 1.00 34.34 C ATOM 0 HA PRO A 22 -5.273 -10.439 2.149 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.497 -8.811 1.963 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.489 -9.082 0.555 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.091 -10.412 1.304 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.578 -9.806 -0.258 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.440 -12.461 0.370 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.298 -11.715 -0.730 1.00 34.34 H new ATOM 318 N GLU A 23 -7.633 -11.818 3.746 1.00 61.20 N ATOM 319 CA GLU A 23 -8.223 -12.060 5.061 1.00 14.11 C ATOM 320 C GLU A 23 -7.669 -13.346 5.685 1.00 1.14 C ATOM 321 O GLU A 23 -8.022 -13.703 6.812 1.00 3.25 O ATOM 322 CB GLU A 23 -9.746 -12.146 4.919 1.00 54.54 C ATOM 323 CG GLU A 23 -10.211 -13.255 3.978 1.00 45.01 C ATOM 324 CD GLU A 23 -11.688 -13.158 3.630 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.522 -13.096 4.558 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.024 -13.127 2.425 1.00 54.44 O ATOM 0 H GLU A 23 -7.885 -12.515 3.045 1.00 61.20 H new ATOM 0 HA GLU A 23 -7.964 -11.234 5.724 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.186 -12.308 5.903 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.123 -11.190 4.555 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.624 -13.215 3.061 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.015 -14.222 4.440 1.00 45.01 H new ATOM 333 N GLY A 24 -6.792 -14.029 4.950 1.00 55.34 N ATOM 334 CA GLY A 24 -6.247 -15.300 5.410 1.00 5.42 C ATOM 335 C GLY A 24 -6.847 -16.479 4.664 1.00 72.15 C ATOM 336 O GLY A 24 -7.834 -16.324 3.943 1.00 1.40 O ATOM 0 H GLY A 24 -6.447 -13.724 4.040 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.165 -15.300 5.278 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.438 -15.411 6.477 1.00 5.42 H new ATOM 340 N VAL A 25 -6.251 -17.661 4.833 1.00 31.52 N ATOM 341 CA VAL A 25 -6.699 -18.870 4.139 1.00 42.05 C ATOM 342 C VAL A 25 -7.399 -19.812 5.127 1.00 51.00 C ATOM 343 O VAL A 25 -6.914 -20.002 6.243 1.00 41.02 O ATOM 344 CB VAL A 25 -5.504 -19.629 3.489 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.978 -20.613 2.430 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.465 -18.662 2.928 1.00 50.32 C ATOM 0 H VAL A 25 -5.451 -17.807 5.449 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.390 -18.561 3.354 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.019 -20.206 4.276 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.118 -21.125 1.998 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.644 -21.345 2.886 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.512 -20.075 1.646 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.646 -19.226 2.482 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.927 -18.032 2.168 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.079 -18.036 3.732 1.00 50.32 H new ATOM 356 N PRO A 26 -8.557 -20.394 4.756 1.00 73.25 N ATOM 357 CA PRO A 26 -9.217 -21.414 5.580 1.00 54.21 C ATOM 358 C PRO A 26 -8.471 -22.751 5.502 1.00 64.34 C ATOM 359 O PRO A 26 -7.819 -23.038 4.499 1.00 2.12 O ATOM 360 CB PRO A 26 -10.613 -21.520 4.958 1.00 23.03 C ATOM 361 CG PRO A 26 -10.410 -21.148 3.529 1.00 64.34 C ATOM 362 CD PRO A 26 -9.322 -20.101 3.525 1.00 63.21 C ATOM 0 HA PRO A 26 -9.243 -21.158 6.639 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.015 -22.529 5.053 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.318 -20.848 5.447 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.119 -22.016 2.937 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.329 -20.758 3.092 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.696 -20.176 2.636 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.735 -19.092 3.540 1.00 63.21 H new ATOM 370 N GLY A 27 -8.575 -23.554 6.558 1.00 3.45 N ATOM 371 CA GLY A 27 -7.838 -24.816 6.649 1.00 3.53 C ATOM 372 C GLY A 27 -7.940 -25.698 5.406 1.00 40.15 C ATOM 373 O GLY A 27 -6.905 -26.092 4.836 1.00 54.14 O ATOM 0 H GLY A 27 -9.164 -23.354 7.366 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.787 -24.596 6.838 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.206 -25.376 7.508 1.00 3.53 H new ATOM 377 N PRO A 28 -9.172 -26.021 4.951 1.00 4.10 N ATOM 378 CA PRO A 28 -9.393 -26.886 3.779 1.00 31.40 C ATOM 379 C PRO A 28 -8.689 -26.373 2.525 1.00 1.42 C ATOM 380 O PRO A 28 -8.460 -27.131 1.582 1.00 5.10 O ATOM 381 CB PRO A 28 -10.916 -26.863 3.588 1.00 12.20 C ATOM 382 CG PRO A 28 -11.455 -26.524 4.935 1.00 51.25 C ATOM 383 CD PRO A 28 -10.452 -25.581 5.543 1.00 54.20 C ATOM 0 HA PRO A 28 -8.987 -27.885 3.939 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.212 -26.123 2.844 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.288 -27.828 3.243 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.437 -26.057 4.859 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.574 -27.418 5.547 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.674 -24.543 5.296 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.439 -25.654 6.630 1.00 54.20 H new ATOM 391 N ASP A 29 -8.364 -25.083 2.513 1.00 63.12 N ATOM 392 CA ASP A 29 -7.634 -24.477 1.401 1.00 75.13 C ATOM 393 C ASP A 29 -6.155 -24.345 1.754 1.00 41.35 C ATOM 394 O ASP A 29 -5.290 -24.379 0.876 1.00 20.04 O ATOM 395 CB ASP A 29 -8.226 -23.105 1.044 1.00 13.15 C ATOM 396 CG ASP A 29 -9.637 -23.198 0.475 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.542 -23.682 1.189 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.849 -22.793 -0.691 1.00 42.44 O ATOM 0 H ASP A 29 -8.596 -24.434 3.265 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.731 -25.125 0.530 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.240 -22.478 1.935 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.579 -22.613 0.318 1.00 13.15 H new ATOM 403 N ARG A 30 -5.871 -24.225 3.052 1.00 54.40 N ATOM 404 CA ARG A 30 -4.500 -24.096 3.552 1.00 24.35 C ATOM 405 C ARG A 30 -3.684 -25.340 3.216 1.00 11.25 C ATOM 406 O ARG A 30 -2.587 -25.243 2.658 1.00 45.02 O ATOM 407 CB ARG A 30 -4.489 -23.872 5.078 1.00 44.21 C ATOM 408 CG ARG A 30 -4.909 -22.474 5.514 1.00 23.22 C ATOM 409 CD ARG A 30 -5.084 -22.370 7.028 1.00 3.15 C ATOM 410 NE ARG A 30 -3.866 -22.702 7.772 1.00 71.13 N ATOM 411 CZ ARG A 30 -3.861 -23.157 9.030 1.00 23.15 C ATOM 412 NH1 ARG A 30 -5.003 -23.435 9.651 1.00 65.41 N ATOM 413 NH2 ARG A 30 -2.711 -23.334 9.664 1.00 74.54 N ATOM 0 H ARG A 30 -6.581 -24.214 3.784 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.051 -23.231 3.064 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.154 -24.599 5.544 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.485 -24.070 5.454 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.160 -21.753 5.186 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.845 -22.208 5.023 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -5.393 -21.356 7.283 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -5.887 -23.037 7.342 1.00 3.15 H new ATOM 0 HE ARG A 30 -2.969 -22.579 7.303 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -5.892 -23.302 9.168 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -4.991 -23.782 10.610 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -1.831 -23.123 9.193 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -2.706 -23.681 10.623 1.00 74.54 H new ATOM 427 N VAL A 31 -4.228 -26.512 3.562 1.00 12.44 N ATOM 428 CA VAL A 31 -3.500 -27.770 3.370 1.00 14.30 C ATOM 429 C VAL A 31 -3.093 -27.967 1.895 1.00 1.22 C ATOM 430 O VAL A 31 -1.917 -28.196 1.606 1.00 3.34 O ATOM 431 CB VAL A 31 -4.301 -29.004 3.879 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.476 -30.282 3.734 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.742 -28.816 5.329 1.00 61.25 C ATOM 0 H VAL A 31 -5.157 -26.615 3.971 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.595 -27.695 3.973 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.195 -29.097 3.263 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.055 -31.132 4.096 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.224 -30.435 2.685 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.560 -30.192 4.318 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.299 -29.694 5.657 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -3.864 -28.686 5.962 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.378 -27.934 5.404 1.00 61.25 H new ATOM 443 N PRO A 32 -4.044 -27.871 0.934 1.00 64.13 N ATOM 444 CA PRO A 32 -3.720 -27.992 -0.494 1.00 15.21 C ATOM 445 C PRO A 32 -2.876 -26.819 -0.996 1.00 21.04 C ATOM 446 O PRO A 32 -2.075 -26.982 -1.919 1.00 13.40 O ATOM 447 CB PRO A 32 -5.093 -28.019 -1.178 1.00 64.15 C ATOM 448 CG PRO A 32 -5.998 -27.319 -0.228 1.00 73.12 C ATOM 449 CD PRO A 32 -5.488 -27.660 1.147 1.00 53.53 C ATOM 0 HA PRO A 32 -3.120 -28.877 -0.705 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.065 -27.515 -2.144 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.425 -29.041 -1.362 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.984 -26.242 -0.395 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.029 -27.648 -0.356 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.676 -26.854 1.856 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -5.970 -28.553 1.544 1.00 53.53 H new ATOM 457 N LEU A 33 -3.059 -25.639 -0.395 1.00 51.45 N ATOM 458 CA LEU A 33 -2.253 -24.468 -0.743 1.00 71.25 C ATOM 459 C LEU A 33 -0.774 -24.794 -0.553 1.00 22.31 C ATOM 460 O LEU A 33 0.044 -24.584 -1.450 1.00 14.43 O ATOM 461 CB LEU A 33 -2.669 -23.250 0.114 1.00 44.31 C ATOM 462 CG LEU A 33 -2.040 -21.885 -0.254 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.616 -21.756 0.288 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.066 -21.666 -1.767 1.00 5.41 C ATOM 0 H LEU A 33 -3.755 -25.471 0.331 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.423 -24.210 -1.788 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.753 -23.150 0.057 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.423 -23.467 1.153 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.642 -21.108 0.217 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.207 -20.785 0.010 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.631 -21.846 1.374 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.006 -22.546 -0.133 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.619 -20.700 -2.003 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.501 -22.457 -2.259 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.097 -21.684 -2.120 1.00 5.41 H new ATOM 476 N LEU A 34 -0.446 -25.344 0.608 1.00 52.24 N ATOM 477 CA LEU A 34 0.931 -25.731 0.897 1.00 54.12 C ATOM 478 C LEU A 34 1.351 -26.914 0.047 1.00 50.24 C ATOM 479 O LEU A 34 2.479 -26.961 -0.447 1.00 13.00 O ATOM 480 CB LEU A 34 1.110 -26.056 2.385 1.00 2.21 C ATOM 481 CG LEU A 34 1.574 -24.876 3.253 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.940 -24.377 2.786 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.543 -23.745 3.227 1.00 74.02 C ATOM 0 H LEU A 34 -1.108 -25.532 1.361 1.00 52.24 H new ATOM 0 HA LEU A 34 1.571 -24.884 0.651 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.163 -26.427 2.778 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.834 -26.865 2.481 1.00 2.21 H new ATOM 0 HG LEU A 34 1.668 -25.221 4.283 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.255 -23.541 3.411 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.669 -25.184 2.865 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.873 -24.049 1.749 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.892 -22.920 3.848 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.410 -23.397 2.203 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.409 -24.111 3.612 1.00 74.02 H new ATOM 495 N ALA A 35 0.444 -27.868 -0.121 1.00 22.33 N ATOM 496 CA ALA A 35 0.718 -29.033 -0.948 1.00 2.14 C ATOM 497 C ALA A 35 1.135 -28.591 -2.353 1.00 71.13 C ATOM 498 O ALA A 35 1.992 -29.209 -2.986 1.00 71.44 O ATOM 499 CB ALA A 35 -0.498 -29.953 -1.011 1.00 72.12 C ATOM 0 H ALA A 35 -0.484 -27.857 0.303 1.00 22.33 H new ATOM 0 HA ALA A 35 1.538 -29.593 -0.499 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.269 -30.817 -1.635 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.753 -30.289 -0.006 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.342 -29.411 -1.437 1.00 72.12 H new ATOM 505 N LEU A 36 0.511 -27.512 -2.819 1.00 60.32 N ATOM 506 CA LEU A 36 0.835 -26.908 -4.106 1.00 5.22 C ATOM 507 C LEU A 36 2.196 -26.208 -4.042 1.00 32.42 C ATOM 508 O LEU A 36 3.078 -26.482 -4.854 1.00 24.53 O ATOM 509 CB LEU A 36 -0.284 -25.924 -4.515 1.00 43.41 C ATOM 510 CG LEU A 36 -0.177 -25.291 -5.922 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.831 -24.140 -5.954 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.180 -26.354 -6.963 1.00 70.30 C ATOM 0 H LEU A 36 -0.234 -27.032 -2.314 1.00 60.32 H new ATOM 0 HA LEU A 36 0.901 -27.689 -4.864 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.238 -26.448 -4.450 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.313 -25.118 -3.781 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.153 -24.874 -6.169 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.876 -23.723 -6.960 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.520 -23.365 -5.254 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.816 -24.511 -5.671 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.251 -25.890 -7.947 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.137 -26.808 -6.706 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.593 -27.122 -6.979 1.00 70.30 H new ATOM 524 N LEU A 37 2.361 -25.311 -3.074 1.00 22.00 N ATOM 525 CA LEU A 37 3.588 -24.514 -2.964 1.00 0.21 C ATOM 526 C LEU A 37 4.832 -25.397 -2.874 1.00 50.35 C ATOM 527 O LEU A 37 5.813 -25.162 -3.575 1.00 73.01 O ATOM 528 CB LEU A 37 3.519 -23.569 -1.752 1.00 72.43 C ATOM 529 CG LEU A 37 3.006 -22.149 -2.052 1.00 43.44 C ATOM 530 CD1 LEU A 37 1.611 -22.179 -2.672 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.018 -21.300 -0.783 1.00 24.13 C ATOM 0 H LEU A 37 1.665 -25.115 -2.354 1.00 22.00 H new ATOM 0 HA LEU A 37 3.667 -23.917 -3.873 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.873 -24.019 -0.998 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.514 -23.493 -1.315 1.00 72.43 H new ATOM 0 HG LEU A 37 3.678 -21.696 -2.780 1.00 43.44 H new ATOM 0 HD11 LEU A 37 1.279 -21.160 -2.871 1.00 4.05 H new ATOM 0 HD12 LEU A 37 1.640 -22.740 -3.606 1.00 4.05 H new ATOM 0 HD13 LEU A 37 0.916 -22.658 -1.982 1.00 4.05 H new ATOM 0 HD21 LEU A 37 2.653 -20.299 -1.012 1.00 24.13 H new ATOM 0 HD22 LEU A 37 2.374 -21.759 -0.032 1.00 24.13 H new ATOM 0 HD23 LEU A 37 4.036 -21.236 -0.398 1.00 24.13 H new ATOM 543 N THR A 38 4.771 -26.427 -2.037 1.00 10.21 N ATOM 544 CA THR A 38 5.931 -27.279 -1.774 1.00 5.04 C ATOM 545 C THR A 38 6.400 -28.014 -3.030 1.00 62.54 C ATOM 546 O THR A 38 7.471 -28.626 -3.035 1.00 50.11 O ATOM 547 CB THR A 38 5.640 -28.293 -0.642 1.00 61.23 C ATOM 548 OG1 THR A 38 4.421 -29.005 -0.916 1.00 1.52 O ATOM 549 CG2 THR A 38 5.529 -27.588 0.709 1.00 31.33 C ATOM 0 H THR A 38 3.929 -26.695 -1.527 1.00 10.21 H new ATOM 0 HA THR A 38 6.736 -26.618 -1.452 1.00 5.04 H new ATOM 0 HB THR A 38 6.470 -28.998 -0.599 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.654 -28.436 -0.697 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.324 -28.323 1.487 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.466 -27.076 0.930 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.718 -26.861 0.674 1.00 31.33 H new ATOM 557 N ARG A 39 5.602 -27.948 -4.087 1.00 14.25 N ATOM 558 CA ARG A 39 5.971 -28.542 -5.362 1.00 24.04 C ATOM 559 C ARG A 39 7.142 -27.779 -5.978 1.00 71.34 C ATOM 560 O ARG A 39 7.998 -28.370 -6.645 1.00 72.22 O ATOM 561 CB ARG A 39 4.764 -28.538 -6.301 1.00 54.52 C ATOM 562 CG ARG A 39 3.565 -29.340 -5.778 1.00 31.23 C ATOM 563 CD ARG A 39 3.778 -30.859 -5.816 1.00 22.04 C ATOM 564 NE ARG A 39 4.969 -31.304 -5.084 1.00 23.20 N ATOM 565 CZ ARG A 39 5.127 -31.246 -3.758 1.00 2.41 C ATOM 566 NH1 ARG A 39 4.184 -30.719 -2.980 1.00 33.22 N ATOM 567 NH2 ARG A 39 6.247 -31.701 -3.216 1.00 12.20 N ATOM 0 H ARG A 39 4.692 -27.487 -4.085 1.00 14.25 H new ATOM 0 HA ARG A 39 6.284 -29.574 -5.203 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.452 -27.507 -6.471 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.066 -28.944 -7.267 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.355 -29.037 -4.752 1.00 31.23 H new ATOM 0 HG3 ARG A 39 2.685 -29.090 -6.371 1.00 31.23 H new ATOM 0 HD2 ARG A 39 2.900 -31.351 -5.398 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.859 -31.180 -6.854 1.00 22.04 H new ATOM 0 HE ARG A 39 5.739 -31.689 -5.631 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.327 -30.353 -3.394 1.00 33.22 H new ATOM 0 HH12 ARG A 39 4.319 -30.682 -1.970 1.00 33.22 H new ATOM 0 HH21 ARG A 39 6.979 -32.091 -3.810 1.00 12.20 H new ATOM 0 HH22 ARG A 39 6.377 -31.661 -2.205 1.00 12.20 H new ATOM 581 N ARG A 40 7.166 -26.457 -5.762 1.00 53.35 N ATOM 582 CA ARG A 40 8.276 -25.618 -6.198 1.00 42.31 C ATOM 583 C ARG A 40 8.629 -24.642 -5.085 1.00 74.53 C ATOM 584 O ARG A 40 8.296 -23.458 -5.157 1.00 12.24 O ATOM 585 CB ARG A 40 7.893 -24.847 -7.459 1.00 64.35 C ATOM 586 CG ARG A 40 7.062 -25.659 -8.443 1.00 51.10 C ATOM 587 CD ARG A 40 6.410 -24.785 -9.496 1.00 53.50 C ATOM 588 NE ARG A 40 7.374 -24.296 -10.483 1.00 44.33 N ATOM 589 CZ ARG A 40 7.484 -24.789 -11.722 1.00 71.12 C ATOM 590 NH1 ARG A 40 6.726 -25.813 -12.101 1.00 73.41 N ATOM 591 NH2 ARG A 40 8.357 -24.263 -12.572 1.00 72.30 N ATOM 0 H ARG A 40 6.422 -25.949 -5.284 1.00 53.35 H new ATOM 0 HA ARG A 40 9.137 -26.248 -6.424 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.334 -23.956 -7.174 1.00 64.35 H new ATOM 0 HB3 ARG A 40 8.801 -24.508 -7.957 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.698 -26.399 -8.929 1.00 51.10 H new ATOM 0 HG3 ARG A 40 6.292 -26.208 -7.900 1.00 51.10 H new ATOM 0 HD2 ARG A 40 5.629 -25.351 -10.003 1.00 53.50 H new ATOM 0 HD3 ARG A 40 5.926 -23.937 -9.013 1.00 53.50 H new ATOM 0 HE ARG A 40 7.997 -23.536 -10.211 1.00 44.33 H new ATOM 0 HH11 ARG A 40 6.060 -26.224 -11.447 1.00 73.41 H new ATOM 0 HH12 ARG A 40 6.811 -26.188 -13.046 1.00 73.41 H new ATOM 0 HH21 ARG A 40 8.945 -23.482 -12.281 1.00 72.30 H new ATOM 0 HH22 ARG A 40 8.440 -24.640 -13.516 1.00 72.30 H new ATOM 605 N LEU A 41 9.268 -25.155 -4.043 1.00 34.24 N ATOM 606 CA LEU A 41 9.570 -24.362 -2.854 1.00 61.12 C ATOM 607 C LEU A 41 10.359 -25.199 -1.844 1.00 73.41 C ATOM 608 O LEU A 41 10.069 -26.385 -1.647 1.00 54.35 O ATOM 609 CB LEU A 41 8.267 -23.856 -2.206 1.00 3.20 C ATOM 610 CG LEU A 41 8.334 -22.461 -1.574 1.00 25.42 C ATOM 611 CD1 LEU A 41 8.648 -21.407 -2.636 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.024 -22.133 -0.859 1.00 65.23 C ATOM 0 H LEU A 41 9.590 -26.122 -3.995 1.00 34.24 H new ATOM 0 HA LEU A 41 10.174 -23.506 -3.154 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.484 -23.854 -2.964 1.00 3.20 H new ATOM 0 HB3 LEU A 41 7.965 -24.568 -1.438 1.00 3.20 H new ATOM 0 HG LEU A 41 9.137 -22.454 -0.837 1.00 25.42 H new ATOM 0 HD11 LEU A 41 8.692 -20.423 -2.170 1.00 35.11 H new ATOM 0 HD12 LEU A 41 9.609 -21.632 -3.099 1.00 35.11 H new ATOM 0 HD13 LEU A 41 7.868 -21.414 -3.397 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.090 -21.139 -0.416 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.203 -22.158 -1.575 1.00 65.23 H new ATOM 0 HD23 LEU A 41 6.844 -22.868 -0.075 1.00 65.23 H new ATOM 624 N THR A 42 11.355 -24.583 -1.218 1.00 74.31 N ATOM 625 CA THR A 42 12.163 -25.241 -0.193 1.00 41.11 C ATOM 626 C THR A 42 11.642 -24.925 1.209 1.00 41.00 C ATOM 627 O THR A 42 10.708 -24.128 1.374 1.00 32.31 O ATOM 628 CB THR A 42 13.639 -24.799 -0.290 1.00 51.30 C ATOM 629 OG1 THR A 42 13.728 -23.382 -0.087 1.00 51.23 O ATOM 630 CG2 THR A 42 14.239 -25.165 -1.645 1.00 74.30 C ATOM 0 H THR A 42 11.626 -23.617 -1.404 1.00 74.31 H new ATOM 0 HA THR A 42 12.092 -26.315 -0.367 1.00 41.11 H new ATOM 0 HB THR A 42 14.205 -25.321 0.482 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.665 -23.101 -0.147 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.279 -24.841 -1.682 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.191 -26.245 -1.785 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.676 -24.671 -2.437 1.00 74.30 H new ATOM 638 N ASN A 43 12.256 -25.547 2.219 1.00 61.44 N ATOM 639 CA ASN A 43 11.912 -25.292 3.618 1.00 23.11 C ATOM 640 C ASN A 43 12.244 -23.848 3.983 1.00 72.30 C ATOM 641 O ASN A 43 11.464 -23.161 4.653 1.00 71.12 O ATOM 642 CB ASN A 43 12.668 -26.252 4.552 1.00 34.35 C ATOM 643 CG ASN A 43 12.329 -27.709 4.290 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.965 -28.368 3.467 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.327 -28.224 4.986 1.00 61.42 N ATOM 0 H ASN A 43 12.998 -26.235 2.091 1.00 61.44 H new ATOM 0 HA ASN A 43 10.842 -25.459 3.742 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.741 -26.104 4.428 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.430 -26.008 5.587 1.00 34.35 H new ATOM 0 HD21 ASN A 43 11.059 -29.198 4.849 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.824 -27.646 5.659 1.00 61.42 H new ATOM 652 N ASP A 44 13.401 -23.393 3.523 1.00 0.21 N ATOM 653 CA ASP A 44 13.844 -22.029 3.785 1.00 22.12 C ATOM 654 C ASP A 44 12.890 -21.026 3.152 1.00 42.40 C ATOM 655 O ASP A 44 12.531 -20.029 3.775 1.00 60.34 O ATOM 656 CB ASP A 44 15.269 -21.811 3.262 1.00 1.30 C ATOM 657 CG ASP A 44 16.309 -22.505 4.123 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.509 -23.726 3.961 1.00 41.24 O ATOM 659 OD2 ASP A 44 16.919 -21.832 4.984 1.00 4.40 O ATOM 0 H ASP A 44 14.051 -23.948 2.966 1.00 0.21 H new ATOM 0 HA ASP A 44 13.846 -21.874 4.864 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.340 -22.183 2.240 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.482 -20.743 3.228 1.00 1.30 H new ATOM 664 N GLU A 45 12.473 -21.302 1.920 1.00 2.43 N ATOM 665 CA GLU A 45 11.545 -20.421 1.211 1.00 12.41 C ATOM 666 C GLU A 45 10.187 -20.342 1.916 1.00 74.32 C ATOM 667 O GLU A 45 9.689 -19.241 2.191 1.00 52.21 O ATOM 668 CB GLU A 45 11.379 -20.888 -0.239 1.00 10.44 C ATOM 669 CG GLU A 45 12.622 -20.664 -1.090 1.00 2.34 C ATOM 670 CD GLU A 45 12.490 -21.256 -2.479 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.738 -22.472 -2.630 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.127 -20.518 -3.414 1.00 64.14 O ATOM 0 H GLU A 45 12.761 -22.126 1.391 1.00 2.43 H new ATOM 0 HA GLU A 45 11.968 -19.416 1.213 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.129 -21.949 -0.245 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.539 -20.360 -0.690 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.814 -19.594 -1.171 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.484 -21.106 -0.591 1.00 2.34 H new ATOM 679 N ILE A 46 9.593 -21.497 2.225 1.00 40.25 N ATOM 680 CA ILE A 46 8.295 -21.524 2.902 1.00 2.42 C ATOM 681 C ILE A 46 8.381 -20.783 4.238 1.00 23.22 C ATOM 682 O ILE A 46 7.466 -20.042 4.607 1.00 2.24 O ATOM 683 CB ILE A 46 7.752 -22.981 3.094 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.384 -22.998 3.815 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.758 -23.844 3.843 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.465 -23.039 5.334 1.00 5.20 C ATOM 0 H ILE A 46 9.985 -22.416 2.020 1.00 40.25 H new ATOM 0 HA ILE A 46 7.578 -21.010 2.261 1.00 2.42 H new ATOM 0 HB ILE A 46 7.606 -23.400 2.099 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.822 -22.112 3.519 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.819 -23.864 3.472 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.356 -24.850 3.963 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.689 -23.890 3.279 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.950 -23.411 4.825 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.458 -23.048 5.752 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.996 -23.938 5.646 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.999 -22.159 5.694 1.00 5.20 H new ATOM 698 N LYS A 47 9.491 -20.970 4.960 1.00 61.14 N ATOM 699 CA LYS A 47 9.714 -20.223 6.193 1.00 33.02 C ATOM 700 C LYS A 47 9.827 -18.727 5.909 1.00 44.41 C ATOM 701 O LYS A 47 9.228 -17.914 6.607 1.00 14.11 O ATOM 702 CB LYS A 47 10.973 -20.704 6.930 1.00 63.24 C ATOM 703 CG LYS A 47 10.786 -22.009 7.697 1.00 43.11 C ATOM 704 CD LYS A 47 11.971 -22.277 8.624 1.00 45.04 C ATOM 705 CE LYS A 47 11.730 -23.483 9.524 1.00 73.15 C ATOM 706 NZ LYS A 47 11.595 -24.744 8.750 1.00 75.33 N ATOM 0 H LYS A 47 10.236 -21.622 4.714 1.00 61.14 H new ATOM 0 HA LYS A 47 8.852 -20.403 6.835 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.778 -20.833 6.206 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.292 -19.928 7.626 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.867 -21.963 8.281 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.676 -22.835 6.994 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.868 -22.443 8.027 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.156 -21.397 9.239 1.00 45.04 H new ATOM 0 HE2 LYS A 47 12.556 -23.578 10.229 1.00 73.15 H new ATOM 0 HE3 LYS A 47 10.826 -23.321 10.111 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 11.466 -25.541 9.405 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 10.771 -24.678 8.119 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 12.453 -24.897 8.183 1.00 75.33 H new ATOM 720 N ALA A 48 10.592 -18.376 4.876 1.00 32.32 N ATOM 721 CA ALA A 48 10.791 -16.976 4.497 1.00 3.50 C ATOM 722 C ALA A 48 9.450 -16.278 4.311 1.00 23.32 C ATOM 723 O ALA A 48 9.263 -15.132 4.738 1.00 52.32 O ATOM 724 CB ALA A 48 11.627 -16.882 3.225 1.00 43.35 C ATOM 0 H ALA A 48 11.086 -19.044 4.284 1.00 32.32 H new ATOM 0 HA ALA A 48 11.330 -16.473 5.300 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.765 -15.835 2.957 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.599 -17.345 3.394 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.115 -17.399 2.414 1.00 43.35 H new ATOM 730 N ILE A 49 8.510 -16.986 3.682 1.00 73.51 N ATOM 731 CA ILE A 49 7.149 -16.483 3.516 1.00 11.34 C ATOM 732 C ILE A 49 6.545 -16.148 4.877 1.00 32.52 C ATOM 733 O ILE A 49 5.983 -15.068 5.075 1.00 25.45 O ATOM 734 CB ILE A 49 6.245 -17.510 2.781 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.845 -17.866 1.412 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.824 -16.967 2.623 1.00 22.32 C ATOM 737 CD1 ILE A 49 7.036 -16.673 0.494 1.00 74.30 C ATOM 0 H ILE A 49 8.668 -17.910 3.280 1.00 73.51 H new ATOM 0 HA ILE A 49 7.202 -15.581 2.906 1.00 11.34 H new ATOM 0 HB ILE A 49 6.195 -18.417 3.383 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.808 -18.352 1.564 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.196 -18.590 0.920 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.209 -17.703 2.106 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.400 -16.766 3.607 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.850 -16.044 2.044 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.463 -17.006 -0.452 1.00 74.30 H new ATOM 0 HD12 ILE A 49 6.072 -16.198 0.309 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.710 -15.956 0.964 1.00 74.30 H new ATOM 749 N ALA A 50 6.703 -17.072 5.822 1.00 21.02 N ATOM 750 CA ALA A 50 6.188 -16.894 7.178 1.00 1.35 C ATOM 751 C ALA A 50 6.853 -15.702 7.862 1.00 3.30 C ATOM 752 O ALA A 50 6.187 -14.913 8.532 1.00 40.12 O ATOM 753 CB ALA A 50 6.404 -18.163 8.001 1.00 61.30 C ATOM 0 H ALA A 50 7.187 -17.957 5.672 1.00 21.02 H new ATOM 0 HA ALA A 50 5.118 -16.696 7.110 1.00 1.35 H new ATOM 0 HB1 ALA A 50 6.015 -18.014 9.008 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.882 -18.996 7.530 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.470 -18.386 8.053 1.00 61.30 H new ATOM 759 N GLU A 51 8.165 -15.572 7.670 1.00 14.35 N ATOM 760 CA GLU A 51 8.943 -14.520 8.320 1.00 45.45 C ATOM 761 C GLU A 51 8.473 -13.140 7.882 1.00 61.23 C ATOM 762 O GLU A 51 8.459 -12.194 8.668 1.00 40.34 O ATOM 763 CB GLU A 51 10.433 -14.665 7.999 1.00 4.25 C ATOM 764 CG GLU A 51 11.001 -16.040 8.315 1.00 61.30 C ATOM 765 CD GLU A 51 12.515 -16.067 8.257 1.00 30.31 C ATOM 766 OE1 GLU A 51 13.079 -16.015 7.143 1.00 71.15 O ATOM 767 OE2 GLU A 51 13.152 -16.123 9.327 1.00 71.41 O ATOM 0 H GLU A 51 8.713 -16.185 7.067 1.00 14.35 H new ATOM 0 HA GLU A 51 8.793 -14.625 9.394 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.589 -14.453 6.941 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.990 -13.915 8.560 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.673 -16.346 9.308 1.00 61.30 H new ATOM 0 HG3 GLU A 51 10.600 -16.767 7.609 1.00 61.30 H new ATOM 774 N ASP A 52 8.118 -13.024 6.614 1.00 54.12 N ATOM 775 CA ASP A 52 7.650 -11.753 6.077 1.00 62.53 C ATOM 776 C ASP A 52 6.214 -11.471 6.519 1.00 5.34 C ATOM 777 O ASP A 52 5.891 -10.352 6.925 1.00 13.14 O ATOM 778 CB ASP A 52 7.751 -11.725 4.545 1.00 51.25 C ATOM 779 CG ASP A 52 7.612 -10.314 3.996 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.484 -9.469 4.298 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.628 -10.032 3.284 1.00 61.55 O ATOM 0 H ASP A 52 8.144 -13.788 5.939 1.00 54.12 H new ATOM 0 HA ASP A 52 8.296 -10.970 6.474 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.709 -12.142 4.236 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.974 -12.359 4.118 1.00 51.25 H new ATOM 786 N LEU A 53 5.363 -12.498 6.458 1.00 34.00 N ATOM 787 CA LEU A 53 3.936 -12.349 6.769 1.00 31.15 C ATOM 788 C LEU A 53 3.690 -12.107 8.261 1.00 63.44 C ATOM 789 O LEU A 53 2.771 -11.372 8.625 1.00 24.44 O ATOM 790 CB LEU A 53 3.150 -13.581 6.299 1.00 23.10 C ATOM 791 CG LEU A 53 3.092 -13.788 4.776 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.268 -15.026 4.429 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.522 -12.549 4.082 1.00 2.44 C ATOM 0 H LEU A 53 5.637 -13.445 6.196 1.00 34.00 H new ATOM 0 HA LEU A 53 3.583 -11.469 6.231 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.593 -14.468 6.752 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.130 -13.506 6.677 1.00 23.10 H new ATOM 0 HG LEU A 53 4.109 -13.943 4.416 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.240 -15.153 3.347 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.722 -15.905 4.886 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.253 -14.905 4.806 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.490 -12.717 3.006 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.514 -12.358 4.449 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.156 -11.688 4.296 1.00 2.44 H new ATOM 805 N GLU A 54 4.508 -12.712 9.123 1.00 42.35 N ATOM 806 CA GLU A 54 4.358 -12.545 10.576 1.00 71.35 C ATOM 807 C GLU A 54 4.466 -11.070 10.965 1.00 51.43 C ATOM 808 O GLU A 54 4.018 -10.660 12.037 1.00 2.04 O ATOM 809 CB GLU A 54 5.406 -13.374 11.338 1.00 71.34 C ATOM 810 CG GLU A 54 6.851 -13.045 10.956 1.00 45.42 C ATOM 811 CD GLU A 54 7.723 -12.672 12.143 1.00 2.40 C ATOM 812 OE1 GLU A 54 8.285 -13.580 12.787 1.00 1.20 O ATOM 813 OE2 GLU A 54 7.855 -11.466 12.434 1.00 25.13 O ATOM 0 H GLU A 54 5.279 -13.320 8.846 1.00 42.35 H new ATOM 0 HA GLU A 54 3.368 -12.907 10.853 1.00 71.35 H new ATOM 0 HB2 GLU A 54 5.277 -13.211 12.408 1.00 71.34 H new ATOM 0 HB3 GLU A 54 5.223 -14.432 11.153 1.00 71.34 H new ATOM 0 HG2 GLU A 54 7.289 -13.905 10.450 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.851 -12.221 10.242 1.00 45.42 H new ATOM 820 N LYS A 55 5.063 -10.284 10.076 1.00 30.13 N ATOM 821 CA LYS A 55 5.234 -8.848 10.279 1.00 60.30 C ATOM 822 C LYS A 55 3.875 -8.136 10.377 1.00 11.44 C ATOM 823 O LYS A 55 3.797 -6.989 10.820 1.00 63.12 O ATOM 824 CB LYS A 55 6.038 -8.262 9.110 1.00 20.00 C ATOM 825 CG LYS A 55 6.555 -6.850 9.349 1.00 21.43 C ATOM 826 CD LYS A 55 7.119 -6.211 8.076 1.00 14.14 C ATOM 827 CE LYS A 55 8.089 -7.130 7.319 1.00 75.02 C ATOM 828 NZ LYS A 55 7.380 -8.046 6.373 1.00 63.03 N ATOM 0 H LYS A 55 5.443 -10.624 9.193 1.00 30.13 H new ATOM 0 HA LYS A 55 5.769 -8.693 11.216 1.00 60.30 H new ATOM 0 HB2 LYS A 55 6.885 -8.916 8.903 1.00 20.00 H new ATOM 0 HB3 LYS A 55 5.411 -8.261 8.218 1.00 20.00 H new ATOM 0 HG2 LYS A 55 5.746 -6.230 9.735 1.00 21.43 H new ATOM 0 HG3 LYS A 55 7.331 -6.875 10.114 1.00 21.43 H new ATOM 0 HD2 LYS A 55 6.294 -5.941 7.416 1.00 14.14 H new ATOM 0 HD3 LYS A 55 7.634 -5.287 8.338 1.00 14.14 H new ATOM 0 HE2 LYS A 55 8.805 -6.522 6.765 1.00 75.02 H new ATOM 0 HE3 LYS A 55 8.660 -7.721 8.035 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 8.076 -8.524 5.766 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 6.845 -8.756 6.913 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 6.725 -7.495 5.782 1.00 63.03 H new ATOM 842 N ARG A 56 2.814 -8.818 9.945 1.00 63.50 N ATOM 843 CA ARG A 56 1.474 -8.231 9.915 1.00 74.04 C ATOM 844 C ARG A 56 0.858 -8.155 11.312 1.00 1.10 C ATOM 845 O ARG A 56 0.355 -7.106 11.717 1.00 45.04 O ATOM 846 CB ARG A 56 0.558 -9.034 8.979 1.00 13.44 C ATOM 847 CG ARG A 56 0.979 -8.982 7.510 1.00 60.23 C ATOM 848 CD ARG A 56 0.989 -7.552 6.976 1.00 20.44 C ATOM 849 NE ARG A 56 -0.328 -6.916 7.071 1.00 20.11 N ATOM 850 CZ ARG A 56 -0.519 -5.600 7.185 1.00 51.15 C ATOM 851 NH1 ARG A 56 0.524 -4.780 7.318 1.00 31.34 N ATOM 852 NH2 ARG A 56 -1.752 -5.106 7.199 1.00 24.14 N ATOM 0 H ARG A 56 2.857 -9.780 9.610 1.00 63.50 H new ATOM 0 HA ARG A 56 1.571 -7.213 9.537 1.00 74.04 H new ATOM 0 HB2 ARG A 56 0.541 -10.074 9.306 1.00 13.44 H new ATOM 0 HB3 ARG A 56 -0.460 -8.655 9.069 1.00 13.44 H new ATOM 0 HG2 ARG A 56 1.972 -9.418 7.400 1.00 60.23 H new ATOM 0 HG3 ARG A 56 0.297 -9.588 6.914 1.00 60.23 H new ATOM 0 HD2 ARG A 56 1.716 -6.963 7.534 1.00 20.44 H new ATOM 0 HD3 ARG A 56 1.314 -7.557 5.936 1.00 20.44 H new ATOM 0 HE ARG A 56 -1.151 -7.518 7.049 1.00 20.11 H new ATOM 0 HH11 ARG A 56 1.471 -5.158 7.333 1.00 31.34 H new ATOM 0 HH12 ARG A 56 0.375 -3.775 7.405 1.00 31.34 H new ATOM 0 HH21 ARG A 56 -2.553 -5.732 7.123 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -1.897 -4.100 7.286 1.00 24.14 H new ATOM 866 N ALA A 57 0.909 -9.262 12.049 1.00 75.53 N ATOM 867 CA ALA A 57 0.258 -9.342 13.356 1.00 40.24 C ATOM 868 C ALA A 57 0.918 -10.398 14.237 1.00 71.25 C ATOM 869 O ALA A 57 1.724 -11.202 13.766 1.00 53.35 O ATOM 870 CB ALA A 57 -1.231 -9.643 13.188 1.00 34.42 C ATOM 0 H ALA A 57 1.393 -10.114 11.765 1.00 75.53 H new ATOM 0 HA ALA A 57 0.370 -8.376 13.849 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -1.704 -9.700 14.169 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.699 -8.850 12.605 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -1.354 -10.594 12.670 1.00 34.42 H new ATOM 876 N HIS A 58 0.563 -10.394 15.523 1.00 23.12 N ATOM 877 CA HIS A 58 1.114 -11.349 16.489 1.00 21.31 C ATOM 878 C HIS A 58 0.082 -12.422 16.827 1.00 2.53 C ATOM 879 O HIS A 58 0.212 -13.129 17.826 1.00 62.41 O ATOM 880 CB HIS A 58 1.541 -10.626 17.773 1.00 52.13 C ATOM 881 CG HIS A 58 2.475 -9.476 17.543 1.00 71.23 C ATOM 882 ND1 HIS A 58 2.177 -8.183 17.913 1.00 12.41 N ATOM 883 CD2 HIS A 58 3.709 -9.432 16.985 1.00 64.10 C ATOM 884 CE1 HIS A 58 3.183 -7.393 17.591 1.00 73.52 C ATOM 885 NE2 HIS A 58 4.125 -8.124 17.027 1.00 44.32 N ATOM 0 H HIS A 58 -0.107 -9.737 15.922 1.00 23.12 H new ATOM 0 HA HIS A 58 1.986 -11.823 16.039 1.00 21.31 H new ATOM 0 HB2 HIS A 58 0.651 -10.261 18.285 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.021 -11.343 18.439 1.00 52.13 H new ATOM 0 HD2 HIS A 58 4.261 -10.268 16.583 1.00 64.10 H new ATOM 0 HE1 HIS A 58 3.228 -6.327 17.761 1.00 73.52 H new ATOM 0 HE2 HIS A 58 5.018 -7.774 16.679 1.00 44.32 H new ATOM 894 N PHE A 59 -0.943 -12.537 15.990 1.00 45.53 N ATOM 895 CA PHE A 59 -2.019 -13.501 16.209 1.00 61.11 C ATOM 896 C PHE A 59 -2.507 -14.063 14.875 1.00 4.21 C ATOM 897 O PHE A 59 -2.728 -13.312 13.921 1.00 51.30 O ATOM 898 CB PHE A 59 -3.187 -12.848 16.973 1.00 63.21 C ATOM 899 CG PHE A 59 -3.764 -11.622 16.302 1.00 13.13 C ATOM 900 CD1 PHE A 59 -3.204 -10.372 16.520 1.00 72.53 C ATOM 901 CD2 PHE A 59 -4.862 -11.720 15.458 1.00 55.13 C ATOM 902 CE1 PHE A 59 -3.724 -9.248 15.910 1.00 53.22 C ATOM 903 CE2 PHE A 59 -5.384 -10.597 14.845 1.00 72.34 C ATOM 904 CZ PHE A 59 -4.815 -9.359 15.071 1.00 32.55 C ATOM 0 H PHE A 59 -1.053 -11.972 15.148 1.00 45.53 H new ATOM 0 HA PHE A 59 -1.629 -14.320 16.813 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.980 -13.585 17.099 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -2.845 -12.574 17.971 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -2.351 -10.277 17.175 1.00 72.53 H new ATOM 0 HD2 PHE A 59 -5.313 -12.685 15.279 1.00 55.13 H new ATOM 0 HE1 PHE A 59 -3.277 -8.281 16.089 1.00 53.22 H new ATOM 0 HE2 PHE A 59 -6.237 -10.687 14.189 1.00 72.34 H new ATOM 0 HZ PHE A 59 -5.222 -8.480 14.593 1.00 32.55 H new ATOM 914 N ASP A 60 -2.655 -15.384 14.814 1.00 3.23 N ATOM 915 CA ASP A 60 -3.160 -16.054 13.618 1.00 22.13 C ATOM 916 C ASP A 60 -3.555 -17.488 13.949 1.00 20.41 C ATOM 917 O ASP A 60 -3.122 -18.048 14.958 1.00 31.31 O ATOM 918 CB ASP A 60 -2.103 -16.064 12.498 1.00 1.13 C ATOM 919 CG ASP A 60 -1.067 -17.169 12.678 1.00 72.32 C ATOM 920 OD1 ASP A 60 -0.049 -16.938 13.366 1.00 21.21 O ATOM 921 OD2 ASP A 60 -1.282 -18.280 12.143 1.00 64.02 O ATOM 0 H ASP A 60 -2.431 -16.015 15.583 1.00 3.23 H new ATOM 0 HA ASP A 60 -4.033 -15.502 13.269 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -2.600 -16.190 11.536 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -1.598 -15.098 12.472 1.00 1.13 H new ATOM 926 N HIS A 61 -4.381 -18.069 13.095 1.00 13.11 N ATOM 927 CA HIS A 61 -4.737 -19.482 13.187 1.00 64.41 C ATOM 928 C HIS A 61 -4.494 -20.149 11.839 1.00 11.03 C ATOM 929 O HIS A 61 -4.970 -21.253 11.580 1.00 35.12 O ATOM 930 CB HIS A 61 -6.203 -19.642 13.604 1.00 74.10 C ATOM 931 CG HIS A 61 -6.494 -19.111 14.976 1.00 43.02 C ATOM 932 ND1 HIS A 61 -6.988 -17.846 15.208 1.00 14.13 N ATOM 933 CD2 HIS A 61 -6.346 -19.682 16.197 1.00 43.44 C ATOM 934 CE1 HIS A 61 -7.126 -17.660 16.507 1.00 75.35 C ATOM 935 NE2 HIS A 61 -6.743 -18.757 17.132 1.00 64.30 N ATOM 0 H HIS A 61 -4.825 -17.579 12.318 1.00 13.11 H new ATOM 0 HA HIS A 61 -4.116 -19.959 13.945 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -6.837 -19.127 12.882 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -6.470 -20.698 13.567 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -5.983 -20.679 16.397 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -7.491 -16.760 16.980 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -6.742 -18.895 18.143 1.00 64.30 H new ATOM 944 N ILE A 62 -3.731 -19.460 10.990 1.00 73.14 N ATOM 945 CA ILE A 62 -3.537 -19.877 9.605 1.00 65.44 C ATOM 946 C ILE A 62 -2.079 -20.247 9.320 1.00 41.11 C ATOM 947 O ILE A 62 -1.692 -20.363 8.155 1.00 32.13 O ATOM 948 CB ILE A 62 -3.987 -18.773 8.619 1.00 10.35 C ATOM 949 CG1 ILE A 62 -3.159 -17.492 8.815 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.479 -18.486 8.783 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.499 -16.397 7.824 1.00 32.42 C ATOM 0 H ILE A 62 -3.235 -18.605 11.242 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.155 -20.763 9.458 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.816 -19.131 7.604 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -3.317 -17.118 9.827 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -2.100 -17.736 8.727 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.779 -17.707 8.082 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -6.048 -19.394 8.582 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.675 -18.152 9.802 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.878 -15.523 8.020 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.315 -16.753 6.811 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.550 -16.126 7.928 1.00 32.42 H new ATOM 963 N ASP A 63 -1.293 -20.444 10.387 1.00 1.43 N ATOM 964 CA ASP A 63 0.146 -20.746 10.280 1.00 15.25 C ATOM 965 C ASP A 63 0.467 -21.658 9.095 1.00 43.10 C ATOM 966 O ASP A 63 -0.198 -22.667 8.874 1.00 22.32 O ATOM 967 CB ASP A 63 0.677 -21.391 11.568 1.00 62.22 C ATOM 968 CG ASP A 63 2.092 -21.937 11.396 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.994 -21.158 11.024 1.00 71.15 O ATOM 970 OD2 ASP A 63 2.296 -23.154 11.598 1.00 31.43 O ATOM 0 H ASP A 63 -1.633 -20.399 11.348 1.00 1.43 H new ATOM 0 HA ASP A 63 0.642 -19.789 10.119 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.668 -20.655 12.372 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.011 -22.200 11.869 1.00 62.22 H new ATOM 975 N ILE A 64 1.516 -21.295 8.371 1.00 35.01 N ATOM 976 CA ILE A 64 1.890 -21.946 7.120 1.00 74.34 C ATOM 977 C ILE A 64 2.693 -23.229 7.369 1.00 73.52 C ATOM 978 O ILE A 64 2.582 -24.197 6.614 1.00 13.12 O ATOM 979 CB ILE A 64 2.697 -20.950 6.238 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.166 -21.606 4.936 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.892 -20.390 7.010 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.477 -20.613 3.834 1.00 23.31 C ATOM 0 H ILE A 64 2.139 -20.532 8.637 1.00 35.01 H new ATOM 0 HA ILE A 64 0.980 -22.236 6.595 1.00 74.34 H new ATOM 0 HB ILE A 64 2.030 -20.128 5.978 1.00 55.31 H new ATOM 0 HG12 ILE A 64 4.056 -22.201 5.139 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.395 -22.294 4.587 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.443 -19.696 6.375 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.538 -19.867 7.898 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.548 -21.208 7.308 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.803 -21.149 2.943 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.583 -20.034 3.603 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.269 -19.941 4.163 1.00 23.31 H new ATOM 994 N GLY A 65 3.467 -23.243 8.447 1.00 24.22 N ATOM 995 CA GLY A 65 4.327 -24.378 8.743 1.00 1.30 C ATOM 996 C GLY A 65 3.552 -25.643 9.091 1.00 31.50 C ATOM 997 O GLY A 65 3.903 -26.736 8.639 1.00 64.12 O ATOM 0 H GLY A 65 3.516 -22.484 9.127 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.966 -24.576 7.882 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.983 -24.121 9.575 1.00 1.30 H new ATOM 1001 N VAL A 66 2.495 -25.493 9.888 1.00 52.41 N ATOM 1002 CA VAL A 66 1.702 -26.632 10.351 1.00 10.01 C ATOM 1003 C VAL A 66 1.141 -27.444 9.183 1.00 22.33 C ATOM 1004 O VAL A 66 1.073 -28.672 9.256 1.00 54.21 O ATOM 1005 CB VAL A 66 0.546 -26.186 11.287 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.441 -25.282 10.555 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.163 -27.397 11.895 1.00 25.14 C ATOM 0 H VAL A 66 2.166 -24.589 10.228 1.00 52.41 H new ATOM 0 HA VAL A 66 2.380 -27.269 10.920 1.00 10.01 H new ATOM 0 HB VAL A 66 0.981 -25.607 12.102 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.239 -24.987 11.237 1.00 35.32 H new ATOM 0 HG12 VAL A 66 0.077 -24.393 10.196 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -0.868 -25.820 9.708 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -0.968 -27.058 12.546 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.577 -28.014 11.098 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.550 -27.983 12.475 1.00 25.14 H new ATOM 1017 N LEU A 67 0.764 -26.765 8.097 1.00 55.10 N ATOM 1018 CA LEU A 67 0.175 -27.442 6.940 1.00 53.21 C ATOM 1019 C LEU A 67 1.092 -28.550 6.428 1.00 52.34 C ATOM 1020 O LEU A 67 0.640 -29.664 6.155 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.143 -26.455 5.803 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.381 -25.561 5.998 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.500 -26.307 6.717 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.018 -24.276 6.722 1.00 50.24 C ATOM 0 H LEU A 67 0.855 -25.754 7.995 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.762 -27.887 7.274 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.724 -25.811 5.658 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.275 -27.025 4.883 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.753 -25.292 5.010 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.358 -25.646 6.838 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.792 -27.178 6.130 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.150 -26.631 7.697 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -1.911 -23.664 6.846 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.603 -24.515 7.701 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.279 -23.726 6.139 1.00 50.24 H new ATOM 1036 N ILE A 68 2.380 -28.248 6.332 1.00 31.54 N ATOM 1037 CA ILE A 68 3.360 -29.204 5.823 1.00 2.51 C ATOM 1038 C ILE A 68 3.425 -30.446 6.711 1.00 51.44 C ATOM 1039 O ILE A 68 3.635 -31.563 6.230 1.00 60.32 O ATOM 1040 CB ILE A 68 4.770 -28.564 5.706 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.721 -27.324 4.793 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.784 -29.584 5.184 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.059 -26.634 4.622 1.00 31.33 C ATOM 0 H ILE A 68 2.773 -27.346 6.600 1.00 31.54 H new ATOM 0 HA ILE A 68 3.034 -29.500 4.826 1.00 2.51 H new ATOM 0 HB ILE A 68 5.090 -28.247 6.699 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.349 -27.621 3.813 1.00 32.52 H new ATOM 0 HG13 ILE A 68 4.005 -26.611 5.203 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.765 -29.116 5.109 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.836 -30.429 5.870 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.473 -29.935 4.200 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.942 -25.771 3.966 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.425 -26.304 5.594 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.774 -27.330 4.182 1.00 31.33 H new ATOM 1055 N THR A 69 3.205 -30.249 8.005 1.00 24.31 N ATOM 1056 CA THR A 69 3.250 -31.338 8.966 1.00 33.41 C ATOM 1057 C THR A 69 2.063 -32.276 8.746 1.00 42.44 C ATOM 1058 O THR A 69 2.149 -33.487 8.976 1.00 21.42 O ATOM 1059 CB THR A 69 3.223 -30.784 10.407 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.177 -29.718 10.533 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.534 -31.874 11.433 1.00 64.12 C ATOM 0 H THR A 69 2.993 -29.338 8.412 1.00 24.31 H new ATOM 0 HA THR A 69 4.177 -31.894 8.822 1.00 33.41 H new ATOM 0 HB THR A 69 2.218 -30.410 10.605 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.157 -29.367 11.448 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.506 -31.448 12.436 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.792 -32.669 11.356 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.526 -32.283 11.240 1.00 64.12 H new ATOM 1069 N GLN A 70 0.956 -31.697 8.295 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.255 -32.455 7.994 1.00 71.34 C ATOM 1071 C GLN A 70 -0.112 -33.182 6.663 1.00 10.03 C ATOM 1072 O GLN A 70 -0.391 -34.370 6.560 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.469 -31.517 7.948 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.508 -30.531 9.108 1.00 51.21 C ATOM 1075 CD GLN A 70 -2.856 -29.846 9.260 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.742 -30.330 9.959 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.017 -28.716 8.603 1.00 21.40 N ATOM 0 H GLN A 70 0.872 -30.694 8.128 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.405 -33.193 8.782 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.457 -30.964 7.009 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.381 -32.113 7.955 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.267 -31.056 10.032 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -0.737 -29.775 8.961 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.257 -28.345 8.032 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -3.901 -28.212 8.665 1.00 21.40 H new ATOM 1086 N MET A 71 0.344 -32.447 5.651 1.00 14.01 N ATOM 1087 CA MET A 71 0.454 -32.954 4.281 1.00 13.13 C ATOM 1088 C MET A 71 1.242 -34.261 4.215 1.00 21.22 C ATOM 1089 O MET A 71 0.879 -35.178 3.474 1.00 40.43 O ATOM 1090 CB MET A 71 1.131 -31.902 3.397 1.00 61.13 C ATOM 1091 CG MET A 71 0.271 -30.675 3.109 1.00 14.31 C ATOM 1092 SD MET A 71 1.254 -29.166 2.976 1.00 65.25 S ATOM 1093 CE MET A 71 2.648 -29.744 2.016 1.00 3.01 C ATOM 0 H MET A 71 0.649 -31.479 5.756 1.00 14.01 H new ATOM 0 HA MET A 71 -0.555 -33.157 3.921 1.00 13.13 H new ATOM 0 HB2 MET A 71 2.054 -31.579 3.879 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.411 -32.365 2.451 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.280 -30.830 2.182 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.467 -30.557 3.902 1.00 14.31 H new ATOM 0 HE1 MET A 71 3.041 -28.924 1.415 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.426 -30.108 2.687 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.327 -30.553 1.360 1.00 3.01 H new ATOM 1103 N THR A 72 2.317 -34.342 4.988 1.00 74.35 N ATOM 1104 CA THR A 72 3.186 -35.515 4.977 1.00 54.12 C ATOM 1105 C THR A 72 2.426 -36.762 5.444 1.00 21.40 C ATOM 1106 O THR A 72 2.783 -37.893 5.099 1.00 10.21 O ATOM 1107 CB THR A 72 4.432 -35.291 5.874 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.394 -36.337 5.673 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.052 -35.231 7.351 1.00 32.34 C ATOM 0 H THR A 72 2.610 -33.608 5.633 1.00 74.35 H new ATOM 0 HA THR A 72 3.518 -35.670 3.950 1.00 54.12 H new ATOM 0 HB THR A 72 4.870 -34.335 5.588 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.174 -36.179 6.245 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.948 -35.073 7.951 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.356 -34.408 7.515 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.580 -36.169 7.644 1.00 32.34 H new ATOM 1117 N ASP A 73 1.373 -36.539 6.219 1.00 14.31 N ATOM 1118 CA ASP A 73 0.592 -37.625 6.804 1.00 73.20 C ATOM 1119 C ASP A 73 -0.726 -37.808 6.059 1.00 63.12 C ATOM 1120 O ASP A 73 -1.244 -38.923 5.935 1.00 62.50 O ATOM 1121 CB ASP A 73 0.305 -37.318 8.275 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.368 -38.485 8.982 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.272 -39.548 9.120 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -1.545 -38.358 9.378 1.00 61.41 O ATOM 0 H ASP A 73 1.036 -35.607 6.460 1.00 14.31 H new ATOM 0 HA ASP A 73 1.169 -38.546 6.723 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.238 -37.076 8.783 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.333 -36.437 8.343 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.257 -36.703 5.558 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.556 -36.681 4.910 1.00 13.52 C ATOM 1131 C GLU A 74 -2.555 -35.726 3.723 1.00 52.34 C ATOM 1132 O GLU A 74 -2.351 -34.519 3.885 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.646 -36.259 5.909 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.999 -35.969 5.264 1.00 22.12 C ATOM 1135 CD GLU A 74 -6.093 -35.665 6.276 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -6.120 -34.538 6.823 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.941 -36.548 6.520 1.00 64.11 O ATOM 0 H GLU A 74 -0.796 -35.794 5.590 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.768 -37.688 4.550 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.770 -37.048 6.651 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.311 -35.370 6.443 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.896 -35.123 4.585 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.298 -36.827 4.662 1.00 22.12 H new ATOM 1144 N MET A 75 -2.766 -36.271 2.534 1.00 3.01 N ATOM 1145 CA MET A 75 -2.991 -35.455 1.357 1.00 44.15 C ATOM 1146 C MET A 75 -4.431 -34.961 1.383 1.00 2.42 C ATOM 1147 O MET A 75 -5.361 -35.766 1.461 1.00 23.31 O ATOM 1148 CB MET A 75 -2.720 -36.248 0.076 1.00 64.55 C ATOM 1149 CG MET A 75 -1.260 -36.641 -0.105 1.00 34.12 C ATOM 1150 SD MET A 75 -0.950 -37.451 -1.687 1.00 53.33 S ATOM 1151 CE MET A 75 -1.493 -36.172 -2.817 1.00 73.05 C ATOM 0 H MET A 75 -2.786 -37.276 2.362 1.00 3.01 H new ATOM 0 HA MET A 75 -2.304 -34.608 1.366 1.00 44.15 H new ATOM 0 HB2 MET A 75 -3.332 -37.150 0.082 1.00 64.55 H new ATOM 0 HB3 MET A 75 -3.036 -35.654 -0.782 1.00 64.55 H new ATOM 0 HG2 MET A 75 -0.636 -35.751 -0.029 1.00 34.12 H new ATOM 0 HG3 MET A 75 -0.964 -37.308 0.705 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.887 -36.206 -3.723 1.00 73.05 H new ATOM 0 HE2 MET A 75 -2.540 -36.334 -3.074 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.383 -35.197 -2.343 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.633 -33.634 1.316 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.961 -33.024 1.472 1.00 54.22 C ATOM 1163 C PRO A 76 -6.954 -33.575 0.450 1.00 61.51 C ATOM 1164 O PRO A 76 -7.719 -34.494 0.746 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.683 -31.522 1.258 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.401 -31.487 0.495 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.596 -32.626 1.045 1.00 32.14 C ATOM 0 HA PRO A 76 -6.420 -33.233 2.438 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.489 -31.044 0.702 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.595 -30.995 2.208 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.574 -31.605 -0.575 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -3.886 -30.536 0.631 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.856 -32.985 0.330 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.056 -32.344 1.949 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.940 -33.003 -0.745 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.672 -33.550 -1.875 1.00 24.23 C ATOM 1177 C ARG A 77 -7.034 -33.037 -3.150 1.00 64.03 C ATOM 1178 O ARG A 77 -6.609 -31.880 -3.210 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.144 -33.143 -1.839 1.00 34.31 C ATOM 1180 CG ARG A 77 -10.056 -34.041 -2.667 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.512 -33.581 -2.615 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.112 -33.763 -1.287 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.732 -32.797 -0.602 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -12.722 -31.550 -1.052 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -13.327 -33.077 0.550 1.00 24.22 N ATOM 0 H ARG A 77 -6.423 -32.150 -0.957 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.629 -34.638 -1.830 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.487 -33.149 -0.804 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.236 -32.118 -2.199 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.715 -34.049 -3.702 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.986 -35.065 -2.301 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.567 -32.529 -2.894 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -12.092 -34.137 -3.352 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.052 -34.687 -0.859 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -12.240 -31.326 -1.923 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -13.196 -30.815 -0.527 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.312 -34.030 0.914 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.800 -32.339 1.072 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.976 -33.877 -4.160 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.376 -33.495 -5.434 1.00 10.22 C ATOM 1201 C GLU A 78 -7.239 -32.430 -6.096 1.00 23.31 C ATOM 1202 O GLU A 78 -6.730 -31.473 -6.685 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.196 -34.717 -6.343 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.253 -35.768 -5.760 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.032 -36.946 -6.694 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.928 -37.813 -6.786 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -3.958 -37.015 -7.334 1.00 24.35 O ATOM 0 H GLU A 78 -7.335 -34.831 -4.131 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.384 -33.081 -5.256 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.169 -35.173 -6.525 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.812 -34.390 -7.309 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.293 -35.303 -5.536 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.660 -36.130 -4.816 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.557 -32.593 -5.958 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.522 -31.603 -6.429 1.00 62.11 C ATOM 1216 C GLU A 79 -9.230 -30.237 -5.803 1.00 42.33 C ATOM 1217 O GLU A 79 -9.308 -29.207 -6.466 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.951 -32.044 -6.076 1.00 33.44 C ATOM 1219 CG GLU A 79 -12.026 -31.018 -6.436 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.405 -31.402 -5.927 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.628 -31.337 -4.698 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -14.275 -31.761 -6.748 1.00 35.35 O ATOM 0 H GLU A 79 -8.981 -33.410 -5.519 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.434 -31.521 -7.512 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.169 -32.979 -6.591 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.003 -32.249 -5.007 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.749 -30.048 -6.022 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.063 -30.903 -7.519 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.881 -30.249 -4.523 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.585 -29.017 -3.794 1.00 23.21 C ATOM 1231 C ASP A 80 -7.236 -28.448 -4.208 1.00 50.24 C ATOM 1232 O ASP A 80 -7.071 -27.234 -4.273 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.630 -29.258 -2.280 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.052 -29.459 -1.783 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.727 -30.381 -2.276 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.508 -28.691 -0.910 1.00 72.24 O ATOM 0 H ASP A 80 -8.795 -31.099 -3.965 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.351 -28.284 -4.047 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.031 -30.135 -2.034 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.181 -28.410 -1.763 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.272 -29.319 -4.489 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.958 -28.875 -4.954 1.00 75.11 C ATOM 1243 C ILE A 81 -5.095 -28.108 -6.272 1.00 23.01 C ATOM 1244 O ILE A 81 -4.585 -26.987 -6.411 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.977 -30.062 -5.131 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.748 -30.770 -3.782 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.649 -29.586 -5.725 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.833 -31.974 -3.861 1.00 11.21 C ATOM 0 H ILE A 81 -6.372 -30.331 -4.404 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.546 -28.215 -4.191 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.420 -30.775 -5.826 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.328 -30.054 -3.075 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.712 -31.085 -3.382 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.976 -30.436 -5.840 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.828 -29.131 -6.699 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.195 -28.852 -5.059 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.724 -32.414 -2.870 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.260 -32.711 -4.541 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.855 -31.664 -4.230 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.801 -28.697 -7.234 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.035 -28.030 -8.511 1.00 13.24 C ATOM 1262 C GLU A 82 -6.938 -26.809 -8.318 1.00 5.44 C ATOM 1263 O GLU A 82 -6.738 -25.772 -8.953 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.636 -28.994 -9.547 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.968 -29.607 -9.138 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.573 -30.487 -10.218 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.125 -31.642 -10.375 1.00 2.33 O ATOM 1268 OE2 GLU A 82 -9.496 -30.027 -10.920 1.00 14.40 O ATOM 0 H GLU A 82 -6.217 -29.625 -7.155 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.072 -27.694 -8.895 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.769 -28.460 -10.488 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -5.923 -29.797 -9.735 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.827 -30.197 -8.233 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.669 -28.809 -8.892 1.00 75.31 H new ATOM 1275 N ARG A 83 -7.914 -26.934 -7.418 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.840 -25.842 -7.114 1.00 64.02 C ATOM 1277 C ARG A 83 -8.102 -24.633 -6.545 1.00 23.45 C ATOM 1278 O ARG A 83 -8.354 -23.499 -6.948 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.940 -26.316 -6.148 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.760 -25.187 -5.518 1.00 32.11 C ATOM 1281 CD ARG A 83 -12.114 -25.671 -5.005 1.00 70.23 C ATOM 1282 NE ARG A 83 -12.010 -26.884 -4.188 1.00 52.13 N ATOM 1283 CZ ARG A 83 -12.826 -27.935 -4.314 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -13.820 -27.900 -5.191 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -12.654 -29.013 -3.560 1.00 32.14 N ATOM 0 H ARG A 83 -8.084 -27.786 -6.884 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.312 -25.534 -8.047 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.615 -26.983 -6.685 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.480 -26.902 -5.352 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.197 -24.749 -4.694 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -10.914 -24.398 -6.254 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.578 -24.880 -4.416 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.771 -25.864 -5.853 1.00 70.23 H new ATOM 0 HE ARG A 83 -11.273 -26.928 -3.484 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -13.961 -27.071 -5.769 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -14.443 -28.702 -5.288 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.895 -29.043 -2.879 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -13.280 -29.812 -3.661 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.176 -24.869 -5.626 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.450 -23.775 -4.998 1.00 41.51 C ATOM 1301 C VAL A 84 -5.443 -23.175 -5.982 1.00 42.42 C ATOM 1302 O VAL A 84 -5.373 -21.961 -6.134 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.750 -24.206 -3.676 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.595 -25.171 -3.931 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.281 -22.984 -2.888 1.00 65.02 C ATOM 0 H VAL A 84 -6.912 -25.799 -5.301 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.180 -23.012 -4.728 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.487 -24.739 -3.075 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.135 -25.446 -2.982 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -4.972 -26.067 -4.425 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.853 -24.690 -4.568 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.795 -23.309 -1.968 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.574 -22.412 -3.490 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.139 -22.358 -2.643 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.697 -24.028 -6.686 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.690 -23.550 -7.636 1.00 63.21 C ATOM 1317 C ARG A 85 -4.333 -22.710 -8.750 1.00 31.04 C ATOM 1318 O ARG A 85 -3.784 -21.686 -9.149 1.00 74.34 O ATOM 1319 CB ARG A 85 -2.876 -24.721 -8.226 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.586 -25.520 -9.313 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.800 -26.769 -9.715 1.00 12.03 C ATOM 1322 NE ARG A 85 -1.456 -26.470 -10.222 1.00 64.53 N ATOM 1323 CZ ARG A 85 -0.809 -27.236 -11.110 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -1.433 -28.257 -11.685 1.00 14.52 N ATOM 1325 NH2 ARG A 85 0.446 -26.963 -11.443 1.00 44.23 N ATOM 0 H ARG A 85 -4.769 -25.043 -6.618 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.000 -22.908 -7.089 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -1.946 -24.327 -8.636 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -2.605 -25.399 -7.417 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.575 -25.813 -8.960 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.734 -24.888 -10.189 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.717 -27.431 -8.853 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.357 -27.310 -10.480 1.00 12.03 H new ATOM 0 HE ARG A 85 -0.988 -25.631 -9.879 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -2.405 -28.458 -11.451 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -0.940 -28.840 -12.361 1.00 14.52 H new ATOM 0 HH21 ARG A 85 0.923 -26.166 -11.022 1.00 44.23 H new ATOM 0 HH22 ARG A 85 0.933 -27.550 -12.120 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.509 -23.129 -9.232 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.212 -22.385 -10.286 1.00 61.13 C ATOM 1341 C ARG A 86 -6.759 -21.072 -9.722 1.00 43.24 C ATOM 1342 O ARG A 86 -6.682 -20.023 -10.359 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.351 -23.232 -10.884 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.535 -23.438 -9.942 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.455 -24.563 -10.399 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.856 -24.441 -11.803 1.00 1.42 N ATOM 1347 CZ ARG A 86 -9.873 -25.466 -12.658 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -9.466 -26.670 -12.267 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -10.299 -25.291 -13.899 1.00 54.51 N ATOM 0 H ARG A 86 -5.990 -23.970 -8.914 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.505 -22.158 -11.084 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.705 -22.752 -11.796 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -6.954 -24.206 -11.169 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.165 -23.660 -8.941 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.106 -22.512 -9.873 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -8.952 -25.519 -10.253 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.347 -24.573 -9.772 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.138 -23.523 -12.146 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -9.140 -26.812 -11.311 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -9.480 -27.451 -12.923 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -10.616 -24.371 -14.205 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -10.311 -26.076 -14.550 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.293 -21.152 -8.504 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.824 -19.990 -7.791 1.00 5.31 C ATOM 1365 C HIS A 87 -6.723 -18.954 -7.601 1.00 35.45 C ATOM 1366 O HIS A 87 -6.945 -17.752 -7.734 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.376 -20.455 -6.433 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.996 -19.380 -5.577 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.313 -19.407 -5.179 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.461 -18.275 -5.005 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.560 -18.370 -4.402 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.453 -17.663 -4.279 1.00 10.01 N ATOM 0 H HIS A 87 -7.370 -22.025 -7.983 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.627 -19.529 -8.366 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.123 -21.228 -6.611 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.565 -20.919 -5.871 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.440 -17.937 -5.102 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.510 -18.138 -3.943 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.351 -16.806 -3.736 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.533 -19.446 -7.291 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.357 -18.610 -7.080 1.00 61.31 C ATOM 1383 C LEU A 88 -3.813 -18.085 -8.411 1.00 10.22 C ATOM 1384 O LEU A 88 -3.344 -16.942 -8.499 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.287 -19.418 -6.330 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.411 -19.431 -4.789 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.869 -18.130 -4.199 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.860 -19.635 -4.342 1.00 1.22 C ATOM 0 H LEU A 88 -5.353 -20.444 -7.178 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.638 -17.745 -6.479 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.319 -20.447 -6.687 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.307 -19.020 -6.593 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.820 -20.270 -4.421 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.964 -18.156 -3.113 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.819 -18.018 -4.469 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.437 -17.287 -4.593 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.908 -19.639 -3.253 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.478 -18.825 -4.730 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.228 -20.587 -4.724 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.907 -18.918 -9.446 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.430 -18.570 -10.785 1.00 61.34 C ATOM 1402 C ALA A 89 -4.174 -17.361 -11.344 1.00 73.12 C ATOM 1403 O ALA A 89 -3.715 -16.720 -12.292 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.571 -19.765 -11.723 1.00 24.15 C ATOM 0 H ALA A 89 -4.315 -19.851 -9.381 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.376 -18.304 -10.708 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.213 -19.493 -12.716 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -2.982 -20.599 -11.341 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.619 -20.058 -11.783 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.336 -17.067 -10.764 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.098 -15.876 -11.122 1.00 63.34 C ATOM 1412 C LEU A 90 -5.311 -14.619 -10.759 1.00 72.14 C ATOM 1413 O LEU A 90 -5.207 -13.685 -11.555 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.458 -15.870 -10.412 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.403 -17.024 -10.791 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.722 -16.917 -10.028 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.653 -17.050 -12.301 1.00 12.44 C ATOM 0 H LEU A 90 -5.770 -17.641 -10.041 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.270 -15.888 -12.198 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.288 -15.900 -9.336 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.958 -14.926 -10.629 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.921 -17.961 -10.510 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.374 -17.743 -10.312 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.527 -16.960 -8.956 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.207 -15.972 -10.271 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.324 -17.874 -12.545 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.107 -16.109 -12.611 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.706 -17.186 -12.824 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.748 -14.609 -9.552 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.917 -13.492 -9.109 1.00 44.25 C ATOM 1431 C GLN A 91 -2.572 -13.533 -9.826 1.00 0.14 C ATOM 1432 O GLN A 91 -2.032 -12.496 -10.218 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.699 -13.520 -7.584 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.954 -13.219 -6.759 1.00 12.45 C ATOM 1435 CD GLN A 91 -6.005 -14.321 -6.806 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -7.206 -14.055 -6.723 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.566 -15.566 -6.906 1.00 3.21 N ATOM 0 H GLN A 91 -4.851 -15.358 -8.867 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.437 -12.566 -9.356 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.320 -14.502 -7.301 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.927 -12.795 -7.326 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.663 -13.052 -5.722 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.399 -12.291 -7.118 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.565 -15.750 -6.973 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.229 -16.341 -6.916 1.00 3.21 H new ATOM 1446 N GLY A 92 -2.045 -14.740 -10.015 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.783 -14.904 -10.715 1.00 34.23 C ATOM 1448 C GLY A 92 -0.118 -16.227 -10.397 1.00 75.14 C ATOM 1449 O GLY A 92 -0.720 -17.085 -9.746 1.00 41.34 O ATOM 0 H GLY A 92 -2.471 -15.610 -9.695 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.954 -14.835 -11.789 1.00 34.23 H new ATOM 0 HA3 GLY A 92 -0.112 -14.088 -10.446 1.00 34.23 H new ATOM 1453 N TRP A 93 1.122 -16.396 -10.848 1.00 61.24 N ATOM 1454 CA TRP A 93 1.872 -17.618 -10.592 1.00 33.44 C ATOM 1455 C TRP A 93 3.375 -17.350 -10.655 1.00 44.25 C ATOM 1456 O TRP A 93 4.017 -17.589 -11.683 1.00 71.23 O ATOM 1457 CB TRP A 93 1.487 -18.711 -11.596 1.00 43.23 C ATOM 1458 CG TRP A 93 1.959 -20.078 -11.195 1.00 30.43 C ATOM 1459 CD1 TRP A 93 3.204 -20.611 -11.369 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.178 -21.088 -10.552 1.00 22.14 C ATOM 1461 NE1 TRP A 93 3.243 -21.890 -10.867 1.00 14.44 N ATOM 1462 CE2 TRP A 93 2.010 -22.207 -10.365 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.148 -21.150 -10.120 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.557 -23.375 -9.760 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.595 -22.307 -9.521 1.00 15.35 C ATOM 1466 CH2 TRP A 93 0.253 -23.406 -9.347 1.00 55.20 C ATOM 0 H TRP A 93 1.628 -15.699 -11.394 1.00 61.24 H new ATOM 0 HA TRP A 93 1.622 -17.965 -9.589 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.403 -18.727 -11.707 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.904 -18.462 -12.572 1.00 43.23 H new ATOM 0 HD1 TRP A 93 4.036 -20.102 -11.833 1.00 31.35 H new ATOM 0 HE1 TRP A 93 4.058 -22.503 -10.868 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.810 -20.307 -10.253 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 2.209 -24.224 -9.622 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.618 -22.367 -9.180 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.130 -24.299 -8.876 1.00 55.20 H new ATOM 1477 N PRO A 94 3.953 -16.811 -9.568 1.00 44.24 N ATOM 1478 CA PRO A 94 5.394 -16.568 -9.481 1.00 44.31 C ATOM 1479 C PRO A 94 6.185 -17.848 -9.186 1.00 13.14 C ATOM 1480 O PRO A 94 7.390 -17.904 -9.414 1.00 65.31 O ATOM 1481 CB PRO A 94 5.516 -15.572 -8.321 1.00 70.01 C ATOM 1482 CG PRO A 94 4.327 -15.836 -7.454 1.00 24.04 C ATOM 1483 CD PRO A 94 3.237 -16.364 -8.356 1.00 52.13 C ATOM 0 HA PRO A 94 5.805 -16.197 -10.420 1.00 44.31 H new ATOM 0 HB2 PRO A 94 6.445 -15.719 -7.771 1.00 70.01 H new ATOM 0 HB3 PRO A 94 5.519 -14.544 -8.683 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.569 -16.560 -6.676 1.00 24.04 H new ATOM 0 HG3 PRO A 94 4.005 -14.924 -6.952 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.696 -17.186 -7.887 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.504 -15.592 -8.589 1.00 52.13 H new ATOM 1491 N LEU A 95 5.487 -18.885 -8.719 1.00 20.13 N ATOM 1492 CA LEU A 95 6.128 -20.125 -8.256 1.00 2.45 C ATOM 1493 C LEU A 95 6.843 -20.857 -9.402 1.00 23.05 C ATOM 1494 O LEU A 95 7.543 -21.846 -9.176 1.00 42.11 O ATOM 1495 CB LEU A 95 5.081 -21.062 -7.620 1.00 12.24 C ATOM 1496 CG LEU A 95 5.591 -21.945 -6.469 1.00 45.14 C ATOM 1497 CD1 LEU A 95 5.908 -21.108 -5.234 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.576 -23.039 -6.135 1.00 44.11 C ATOM 0 H LEU A 95 4.469 -18.893 -8.650 1.00 20.13 H new ATOM 0 HA LEU A 95 6.874 -19.848 -7.511 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.254 -20.456 -7.250 1.00 12.24 H new ATOM 0 HB3 LEU A 95 4.678 -21.709 -8.399 1.00 12.24 H new ATOM 0 HG LEU A 95 6.514 -22.423 -6.797 1.00 45.14 H new ATOM 0 HD11 LEU A 95 6.266 -21.758 -4.436 1.00 71.12 H new ATOM 0 HD12 LEU A 95 6.677 -20.376 -5.479 1.00 71.12 H new ATOM 0 HD13 LEU A 95 5.007 -20.591 -4.904 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.957 -23.652 -5.318 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.633 -22.581 -5.836 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.413 -23.665 -7.013 1.00 44.11 H new ATOM 1510 N ASP A 96 6.666 -20.373 -10.627 1.00 4.21 N ATOM 1511 CA ASP A 96 7.211 -21.043 -11.804 1.00 41.33 C ATOM 1512 C ASP A 96 8.726 -20.876 -11.898 1.00 64.42 C ATOM 1513 O ASP A 96 9.440 -21.832 -12.211 1.00 63.40 O ATOM 1514 CB ASP A 96 6.553 -20.505 -13.081 1.00 13.44 C ATOM 1515 CG ASP A 96 6.995 -21.264 -14.330 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.345 -22.271 -14.676 1.00 32.34 O ATOM 1517 OD2 ASP A 96 7.986 -20.854 -14.974 1.00 52.41 O ATOM 0 H ASP A 96 6.149 -19.518 -10.831 1.00 4.21 H new ATOM 0 HA ASP A 96 6.991 -22.106 -11.702 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.469 -20.572 -12.984 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.798 -19.449 -13.195 1.00 13.44 H new ATOM 1522 N ASP A 97 9.218 -19.675 -11.607 1.00 25.14 N ATOM 1523 CA ASP A 97 10.625 -19.346 -11.857 1.00 42.42 C ATOM 1524 C ASP A 97 11.163 -18.346 -10.828 1.00 63.11 C ATOM 1525 O ASP A 97 10.534 -17.320 -10.571 1.00 10.23 O ATOM 1526 CB ASP A 97 10.767 -18.771 -13.273 1.00 35.12 C ATOM 1527 CG ASP A 97 12.200 -18.422 -13.645 1.00 13.01 C ATOM 1528 OD1 ASP A 97 13.030 -19.347 -13.764 1.00 24.13 O ATOM 1529 OD2 ASP A 97 12.492 -17.226 -13.853 1.00 25.30 O ATOM 0 H ASP A 97 8.671 -18.916 -11.201 1.00 25.14 H new ATOM 0 HA ASP A 97 11.212 -20.260 -11.765 1.00 42.42 H new ATOM 0 HB2 ASP A 97 10.379 -19.494 -13.991 1.00 35.12 H new ATOM 0 HB3 ASP A 97 10.150 -17.876 -13.357 1.00 35.12 H new ATOM 1534 N PRO A 98 12.333 -18.645 -10.217 1.00 61.44 N ATOM 1535 CA PRO A 98 12.984 -17.751 -9.243 1.00 22.22 C ATOM 1536 C PRO A 98 13.311 -16.376 -9.835 1.00 64.45 C ATOM 1537 O PRO A 98 13.494 -16.232 -11.046 1.00 40.33 O ATOM 1538 CB PRO A 98 14.275 -18.501 -8.866 1.00 75.31 C ATOM 1539 CG PRO A 98 14.004 -19.925 -9.208 1.00 75.22 C ATOM 1540 CD PRO A 98 13.109 -19.887 -10.416 1.00 2.44 C ATOM 0 HA PRO A 98 12.337 -17.543 -8.391 1.00 22.22 H new ATOM 0 HB2 PRO A 98 15.131 -18.117 -9.421 1.00 75.31 H new ATOM 0 HB3 PRO A 98 14.504 -18.386 -7.807 1.00 75.31 H new ATOM 0 HG2 PRO A 98 14.929 -20.460 -9.422 1.00 75.22 H new ATOM 0 HG3 PRO A 98 13.522 -20.442 -8.379 1.00 75.22 H new ATOM 0 HD2 PRO A 98 13.683 -19.860 -11.342 1.00 2.44 H new ATOM 0 HD3 PRO A 98 12.462 -20.763 -10.467 1.00 2.44 H new ATOM 1548 N ARG A 99 13.397 -15.363 -8.973 1.00 2.21 N ATOM 1549 CA ARG A 99 13.685 -14.000 -9.420 1.00 74.20 C ATOM 1550 C ARG A 99 15.118 -13.629 -9.082 1.00 12.43 C ATOM 1551 O ARG A 99 15.730 -12.785 -9.737 1.00 11.52 O ATOM 1552 CB ARG A 99 12.677 -13.007 -8.825 1.00 55.11 C ATOM 1553 CG ARG A 99 11.266 -13.197 -9.384 1.00 55.34 C ATOM 1554 CD ARG A 99 11.232 -12.977 -10.897 1.00 0.14 C ATOM 1555 NE ARG A 99 10.038 -13.550 -11.521 1.00 74.25 N ATOM 1556 CZ ARG A 99 10.065 -14.578 -12.380 1.00 14.31 C ATOM 1557 NH1 ARG A 99 11.214 -15.191 -12.654 1.00 71.15 N ATOM 1558 NH2 ARG A 99 8.944 -15.000 -12.950 1.00 34.22 N ATOM 0 H ARG A 99 13.272 -15.459 -7.965 1.00 2.21 H new ATOM 0 HA ARG A 99 13.578 -13.952 -10.504 1.00 74.20 H new ATOM 0 HB2 ARG A 99 12.654 -13.124 -7.742 1.00 55.11 H new ATOM 0 HB3 ARG A 99 13.011 -11.990 -9.029 1.00 55.11 H new ATOM 0 HG2 ARG A 99 10.914 -14.202 -9.153 1.00 55.34 H new ATOM 0 HG3 ARG A 99 10.583 -12.500 -8.898 1.00 55.34 H new ATOM 0 HD2 ARG A 99 11.270 -11.908 -11.106 1.00 0.14 H new ATOM 0 HD3 ARG A 99 12.121 -13.421 -11.345 1.00 0.14 H new ATOM 0 HE ARG A 99 9.132 -13.143 -11.288 1.00 74.25 H new ATOM 0 HH11 ARG A 99 12.077 -14.879 -12.210 1.00 71.15 H new ATOM 0 HH12 ARG A 99 11.231 -15.973 -13.308 1.00 71.15 H new ATOM 0 HH21 ARG A 99 8.059 -14.542 -12.735 1.00 34.22 H new ATOM 0 HH22 ARG A 99 8.967 -15.783 -13.604 1.00 34.22 H new ATOM 1572 N ASP A 100 15.638 -14.261 -8.047 1.00 34.03 N ATOM 1573 CA ASP A 100 17.066 -14.258 -7.775 1.00 4.54 C ATOM 1574 C ASP A 100 17.680 -15.464 -8.483 1.00 5.05 C ATOM 1575 O ASP A 100 16.972 -16.425 -8.800 1.00 4.23 O ATOM 1576 CB ASP A 100 17.336 -14.271 -6.263 1.00 74.24 C ATOM 1577 CG ASP A 100 16.533 -15.328 -5.518 1.00 41.42 C ATOM 1578 OD1 ASP A 100 15.282 -15.235 -5.513 1.00 64.40 O ATOM 1579 OD2 ASP A 100 17.147 -16.238 -4.923 1.00 53.41 O ATOM 0 H ASP A 100 15.086 -14.790 -7.372 1.00 34.03 H new ATOM 0 HA ASP A 100 17.527 -13.346 -8.155 1.00 4.54 H new ATOM 0 HB2 ASP A 100 18.398 -14.444 -6.092 1.00 74.24 H new ATOM 0 HB3 ASP A 100 17.103 -13.289 -5.851 1.00 74.24 H new ATOM 1584 N GLY A 101 18.980 -15.421 -8.753 1.00 74.34 N ATOM 1585 CA GLY A 101 19.572 -16.381 -9.668 1.00 25.12 C ATOM 1586 C GLY A 101 20.763 -17.109 -9.086 1.00 52.40 C ATOM 1587 O GLY A 101 21.907 -16.672 -9.244 1.00 71.02 O ATOM 0 H GLY A 101 19.632 -14.743 -8.358 1.00 74.34 H new ATOM 0 HA2 GLY A 101 18.815 -17.110 -9.957 1.00 25.12 H new ATOM 0 HA3 GLY A 101 19.880 -15.864 -10.577 1.00 25.12 H new ATOM 1591 N GLU A 102 20.500 -18.221 -8.419 1.00 61.22 N ATOM 1592 CA GLU A 102 21.561 -19.073 -7.894 1.00 32.33 C ATOM 1593 C GLU A 102 21.187 -20.547 -8.063 1.00 51.53 C ATOM 1594 O GLU A 102 20.073 -20.949 -7.723 1.00 60.02 O ATOM 1595 CB GLU A 102 21.818 -18.742 -6.421 1.00 34.42 C ATOM 1596 CG GLU A 102 23.005 -19.481 -5.820 1.00 13.32 C ATOM 1597 CD GLU A 102 23.383 -18.952 -4.449 1.00 54.40 C ATOM 1598 OE1 GLU A 102 24.021 -17.878 -4.380 1.00 20.04 O ATOM 1599 OE2 GLU A 102 23.052 -19.598 -3.438 1.00 2.40 O ATOM 0 H GLU A 102 19.557 -18.558 -8.226 1.00 61.22 H new ATOM 0 HA GLU A 102 22.477 -18.887 -8.454 1.00 32.33 H new ATOM 0 HB2 GLU A 102 21.984 -17.669 -6.324 1.00 34.42 H new ATOM 0 HB3 GLU A 102 20.924 -18.980 -5.844 1.00 34.42 H new ATOM 0 HG2 GLU A 102 22.768 -20.542 -5.744 1.00 13.32 H new ATOM 0 HG3 GLU A 102 23.861 -19.393 -6.489 1.00 13.32 H new ATOM 1606 N GLU A 103 22.117 -21.337 -8.599 1.00 70.30 N ATOM 1607 CA GLU A 103 21.876 -22.756 -8.871 1.00 12.44 C ATOM 1608 C GLU A 103 21.712 -23.539 -7.559 1.00 42.42 C ATOM 1609 O GLU A 103 22.677 -23.719 -6.810 1.00 71.41 O ATOM 1610 CB GLU A 103 23.021 -23.347 -9.714 1.00 24.55 C ATOM 1611 CG GLU A 103 23.076 -22.835 -11.158 1.00 24.21 C ATOM 1612 CD GLU A 103 23.335 -21.337 -11.267 1.00 42.24 C ATOM 1613 OE1 GLU A 103 24.499 -20.916 -11.102 1.00 25.23 O ATOM 1614 OE2 GLU A 103 22.377 -20.574 -11.526 1.00 42.02 O ATOM 0 H GLU A 103 23.051 -21.016 -8.855 1.00 70.30 H new ATOM 0 HA GLU A 103 20.950 -22.843 -9.439 1.00 12.44 H new ATOM 0 HB2 GLU A 103 23.969 -23.122 -9.225 1.00 24.55 H new ATOM 0 HB3 GLU A 103 22.921 -24.432 -9.730 1.00 24.55 H new ATOM 0 HG2 GLU A 103 23.859 -23.370 -11.694 1.00 24.21 H new ATOM 0 HG3 GLU A 103 22.134 -23.069 -11.653 1.00 24.21 H new ATOM 1621 N PRO A 104 20.481 -24.011 -7.264 1.00 15.24 N ATOM 1622 CA PRO A 104 20.158 -24.639 -5.985 1.00 63.11 C ATOM 1623 C PRO A 104 20.424 -26.155 -5.938 1.00 31.14 C ATOM 1624 O PRO A 104 21.319 -26.607 -5.223 1.00 73.41 O ATOM 1625 CB PRO A 104 18.663 -24.331 -5.835 1.00 43.14 C ATOM 1626 CG PRO A 104 18.132 -24.258 -7.238 1.00 23.44 C ATOM 1627 CD PRO A 104 19.304 -23.953 -8.152 1.00 13.25 C ATOM 0 HA PRO A 104 20.785 -24.257 -5.179 1.00 63.11 H new ATOM 0 HB2 PRO A 104 18.157 -25.108 -5.262 1.00 43.14 H new ATOM 0 HB3 PRO A 104 18.506 -23.391 -5.305 1.00 43.14 H new ATOM 0 HG2 PRO A 104 17.661 -25.200 -7.519 1.00 23.44 H new ATOM 0 HG3 PRO A 104 17.370 -23.483 -7.320 1.00 23.44 H new ATOM 0 HD2 PRO A 104 19.379 -24.681 -8.960 1.00 13.25 H new ATOM 0 HD3 PRO A 104 19.203 -22.972 -8.615 1.00 13.25 H new ATOM 1635 N ASP A 105 19.660 -26.935 -6.708 1.00 4.41 N ATOM 1636 CA ASP A 105 19.706 -28.399 -6.612 1.00 54.35 C ATOM 1637 C ASP A 105 20.015 -29.037 -7.960 1.00 44.21 C ATOM 1638 O ASP A 105 19.707 -28.481 -9.015 1.00 12.41 O ATOM 1639 CB ASP A 105 18.364 -28.939 -6.086 1.00 3.32 C ATOM 1640 CG ASP A 105 18.331 -30.463 -5.985 1.00 1.22 C ATOM 1641 OD1 ASP A 105 18.702 -31.002 -4.923 1.00 52.25 O ATOM 1642 OD2 ASP A 105 17.939 -31.134 -6.966 1.00 55.20 O ATOM 0 H ASP A 105 19.004 -26.580 -7.403 1.00 4.41 H new ATOM 0 HA ASP A 105 20.505 -28.659 -5.918 1.00 54.35 H new ATOM 0 HB2 ASP A 105 18.167 -28.511 -5.103 1.00 3.32 H new ATOM 0 HB3 ASP A 105 17.562 -28.607 -6.745 1.00 3.32 H new ATOM 1647 N GLY A 106 20.631 -30.213 -7.906 1.00 62.13 N ATOM 1648 CA GLY A 106 20.874 -31.009 -9.092 1.00 11.31 C ATOM 1649 C GLY A 106 20.903 -32.485 -8.756 1.00 65.20 C ATOM 1650 O GLY A 106 21.462 -33.293 -9.496 1.00 31.24 O ATOM 0 H GLY A 106 20.972 -30.635 -7.042 1.00 62.13 H new ATOM 0 HA2 GLY A 106 20.096 -30.815 -9.830 1.00 11.31 H new ATOM 0 HA3 GLY A 106 21.822 -30.716 -9.543 1.00 11.31 H new ATOM 1654 N GLU A 107 20.278 -32.831 -7.631 1.00 23.42 N ATOM 1655 CA GLU A 107 20.311 -34.195 -7.107 1.00 2.20 C ATOM 1656 C GLU A 107 19.041 -34.954 -7.485 1.00 40.21 C ATOM 1657 O GLU A 107 19.094 -36.120 -7.889 1.00 12.10 O ATOM 1658 CB GLU A 107 20.455 -34.169 -5.579 1.00 33.32 C ATOM 1659 CG GLU A 107 21.687 -33.418 -5.087 1.00 33.22 C ATOM 1660 CD GLU A 107 21.780 -33.382 -3.570 1.00 63.21 C ATOM 1661 OE1 GLU A 107 22.177 -34.406 -2.969 1.00 2.52 O ATOM 1662 OE2 GLU A 107 21.456 -32.336 -2.966 1.00 44.23 O ATOM 0 H GLU A 107 19.739 -32.179 -7.061 1.00 23.42 H new ATOM 0 HA GLU A 107 21.168 -34.706 -7.546 1.00 2.20 H new ATOM 0 HB2 GLU A 107 19.565 -33.710 -5.148 1.00 33.32 H new ATOM 0 HB3 GLU A 107 20.495 -35.194 -5.210 1.00 33.32 H new ATOM 0 HG2 GLU A 107 22.582 -33.891 -5.491 1.00 33.22 H new ATOM 0 HG3 GLU A 107 21.664 -32.398 -5.471 1.00 33.22 H new ATOM 1669 N SER A 108 17.902 -34.284 -7.345 1.00 21.32 N ATOM 1670 CA SER A 108 16.607 -34.902 -7.602 1.00 31.33 C ATOM 1671 C SER A 108 16.314 -34.947 -9.103 1.00 60.00 C ATOM 1672 O SER A 108 16.686 -34.035 -9.845 1.00 11.30 O ATOM 1673 CB SER A 108 15.506 -34.138 -6.854 1.00 12.23 C ATOM 1674 OG SER A 108 15.566 -32.745 -7.127 1.00 51.11 O ATOM 0 H SER A 108 17.850 -33.308 -7.053 1.00 21.32 H new ATOM 0 HA SER A 108 16.631 -35.929 -7.237 1.00 31.33 H new ATOM 0 HB2 SER A 108 14.530 -34.526 -7.145 1.00 12.23 H new ATOM 0 HB3 SER A 108 15.609 -34.305 -5.782 1.00 12.23 H new ATOM 0 HG SER A 108 14.852 -32.285 -6.638 1.00 51.11 H new ATOM 1680 N GLY A 109 15.658 -36.017 -9.546 1.00 11.40 N ATOM 1681 CA GLY A 109 15.339 -36.173 -10.955 1.00 74.12 C ATOM 1682 C GLY A 109 13.854 -36.054 -11.231 1.00 72.41 C ATOM 1683 O GLY A 109 13.446 -35.512 -12.260 1.00 14.04 O ATOM 0 H GLY A 109 15.340 -36.782 -8.951 1.00 11.40 H new ATOM 0 HA2 GLY A 109 15.874 -35.418 -11.531 1.00 74.12 H new ATOM 0 HA3 GLY A 109 15.692 -37.145 -11.299 1.00 74.12 H new ATOM 1687 N GLY A 110 13.042 -36.560 -10.310 1.00 13.43 N ATOM 1688 CA GLY A 110 11.601 -36.551 -10.492 1.00 33.40 C ATOM 1689 C GLY A 110 10.904 -37.554 -9.589 1.00 63.40 C ATOM 1690 O GLY A 110 10.037 -37.173 -8.800 1.00 25.54 O ATOM 0 H GLY A 110 13.358 -36.979 -9.435 1.00 13.43 H new ATOM 0 HA2 GLY A 110 11.217 -35.552 -10.288 1.00 33.40 H new ATOM 0 HA3 GLY A 110 11.366 -36.776 -11.532 1.00 33.40 H new ATOM 1694 N PRO A 111 11.258 -38.855 -9.684 1.00 53.01 N ATOM 1695 CA PRO A 111 10.655 -39.909 -8.854 1.00 61.42 C ATOM 1696 C PRO A 111 10.724 -39.581 -7.361 1.00 45.21 C ATOM 1697 O PRO A 111 11.810 -39.393 -6.803 1.00 22.42 O ATOM 1698 CB PRO A 111 11.489 -41.167 -9.183 1.00 10.14 C ATOM 1699 CG PRO A 111 12.697 -40.665 -9.909 1.00 0.34 C ATOM 1700 CD PRO A 111 12.260 -39.411 -10.612 1.00 40.33 C ATOM 0 HA PRO A 111 9.593 -40.033 -9.066 1.00 61.42 H new ATOM 0 HB2 PRO A 111 11.770 -41.700 -8.275 1.00 10.14 H new ATOM 0 HB3 PRO A 111 10.922 -41.864 -9.800 1.00 10.14 H new ATOM 0 HG2 PRO A 111 13.513 -40.461 -9.216 1.00 0.34 H new ATOM 0 HG3 PRO A 111 13.061 -41.406 -10.621 1.00 0.34 H new ATOM 0 HD2 PRO A 111 13.091 -38.724 -10.770 1.00 40.33 H new ATOM 0 HD3 PRO A 111 11.832 -39.624 -11.591 1.00 40.33 H new ATOM 1708 N ARG A 112 9.558 -39.505 -6.732 1.00 2.23 N ATOM 1709 CA ARG A 112 9.454 -39.214 -5.309 1.00 23.43 C ATOM 1710 C ARG A 112 8.522 -40.234 -4.654 1.00 64.04 C ATOM 1711 O ARG A 112 9.021 -41.155 -3.975 1.00 53.13 O ATOM 1712 CB ARG A 112 8.936 -37.779 -5.095 1.00 24.42 C ATOM 1713 CG ARG A 112 8.788 -37.360 -3.630 1.00 72.30 C ATOM 1714 CD ARG A 112 10.132 -37.199 -2.918 1.00 52.41 C ATOM 1715 NE ARG A 112 10.856 -38.467 -2.783 1.00 62.15 N ATOM 1716 CZ ARG A 112 10.813 -39.244 -1.699 1.00 31.24 C ATOM 1717 NH1 ARG A 112 10.091 -38.888 -0.645 1.00 32.13 N ATOM 1718 NH2 ARG A 112 11.509 -40.376 -1.664 1.00 30.31 N ATOM 1719 OXT ARG A 112 7.295 -40.141 -4.869 1.00 0.00 O ATOM 0 H ARG A 112 8.659 -39.643 -7.194 1.00 2.23 H new ATOM 0 HA ARG A 112 10.439 -39.287 -4.847 1.00 23.43 H new ATOM 0 HB2 ARG A 112 9.616 -37.085 -5.589 1.00 24.42 H new ATOM 0 HB3 ARG A 112 7.968 -37.681 -5.586 1.00 24.42 H new ATOM 0 HG2 ARG A 112 8.241 -36.418 -3.580 1.00 72.30 H new ATOM 0 HG3 ARG A 112 8.190 -38.104 -3.103 1.00 72.30 H new ATOM 0 HD2 ARG A 112 10.749 -36.490 -3.471 1.00 52.41 H new ATOM 0 HD3 ARG A 112 9.966 -36.773 -1.929 1.00 52.41 H new ATOM 0 HE ARG A 112 11.429 -38.775 -3.568 1.00 62.15 H new ATOM 0 HH11 ARG A 112 9.564 -38.015 -0.659 1.00 32.13 H new ATOM 0 HH12 ARG A 112 10.063 -39.487 0.180 1.00 32.13 H new ATOM 0 HH21 ARG A 112 12.076 -40.651 -2.466 1.00 30.31 H new ATOM 0 HH22 ARG A 112 11.476 -40.970 -0.835 1.00 30.31 H new TER 1733 ARG A 112