USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 160:sc= -8.38! USER MOD Set 1.2: A 77 TYR OH : rot -140:sc= -6.41! USER MOD Single : A 1 ALA N :NH3+ 176:sc= 0.0646 (180deg=0.0453) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 111:sc= -5.4! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.9!) USER MOD Single : A 22 SER OG : rot -157:sc= -0.399! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.701) USER MOD Single : A 27 HIS : no HD1:sc= -5.55! C(o=-5.6!,f=-7.4!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -6.79! C(o=-9.7!,f=-6.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 57 MET CE :methyl -151:sc= -0.0675 (180deg=-1.4) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 64 THR OG1 : rot 36:sc= -2.45! USER MOD Single : A 65 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.82! K(o=-1.8!,f=-2.9) USER MOD Single : A 82 THR OG1 : rot 5:sc= -7.48! USER MOD Single : A 87 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.95) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= -0.0683 (180deg=-0.542) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.181 -9.301 -0.659 1.00 0.00 N ATOM 2 CA ALA A 1 -17.169 -9.598 -1.712 1.00 0.00 C ATOM 3 C ALA A 1 -15.767 -9.511 -1.112 1.00 0.00 C ATOM 4 O ALA A 1 -15.293 -8.451 -0.759 1.00 0.00 O ATOM 5 CB ALA A 1 -17.299 -8.585 -2.849 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.131 -9.294 -1.083 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.137 -10.031 0.080 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.982 -8.371 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.337 -10.602 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.558 -8.804 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.298 -8.648 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.133 -7.580 -2.461 1.00 0.00 H new ATOM 13 N ASP A 2 -15.101 -10.624 -0.992 1.00 0.00 N ATOM 14 CA ASP A 2 -13.733 -10.612 -0.414 1.00 0.00 C ATOM 15 C ASP A 2 -13.687 -9.698 0.817 1.00 0.00 C ATOM 16 O ASP A 2 -12.825 -8.854 0.922 1.00 0.00 O ATOM 17 CB ASP A 2 -12.758 -10.100 -1.475 1.00 0.00 C ATOM 18 CG ASP A 2 -11.381 -9.952 -0.848 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.214 -10.424 0.263 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.520 -9.362 -1.478 1.00 0.00 O ATOM 0 H ASP A 2 -15.447 -11.542 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.456 -11.621 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.717 -10.793 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.098 -9.142 -1.868 1.00 0.00 H new ATOM 25 N PRO A 3 -14.593 -9.909 1.738 1.00 0.00 N ATOM 26 CA PRO A 3 -14.624 -9.126 2.980 1.00 0.00 C ATOM 27 C PRO A 3 -13.607 -9.723 3.955 1.00 0.00 C ATOM 28 O PRO A 3 -13.518 -9.330 5.101 1.00 0.00 O ATOM 29 CB PRO A 3 -16.043 -9.341 3.507 1.00 0.00 C ATOM 30 CG PRO A 3 -16.541 -10.665 2.880 1.00 0.00 C ATOM 31 CD PRO A 3 -15.666 -10.924 1.641 1.00 0.00 C ATOM 0 HA PRO A 3 -14.384 -8.071 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.049 -9.399 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.692 -8.510 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.457 -11.486 3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.592 -10.590 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.259 -11.935 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.237 -10.813 0.719 1.00 0.00 H new ATOM 39 N GLU A 4 -12.873 -10.713 3.512 1.00 0.00 N ATOM 40 CA GLU A 4 -11.902 -11.386 4.415 1.00 0.00 C ATOM 41 C GLU A 4 -10.629 -11.806 3.672 1.00 0.00 C ATOM 42 O GLU A 4 -9.791 -12.493 4.222 1.00 0.00 O ATOM 43 CB GLU A 4 -12.573 -12.644 4.926 1.00 0.00 C ATOM 44 CG GLU A 4 -12.514 -12.684 6.455 1.00 0.00 C ATOM 45 CD GLU A 4 -13.697 -11.903 7.031 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.813 -12.162 6.612 1.00 0.00 O ATOM 47 OE2 GLU A 4 -13.468 -11.061 7.884 1.00 0.00 O ATOM 0 H GLU A 4 -12.908 -11.082 2.562 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.622 -10.697 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.610 -12.674 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.080 -13.523 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.541 -13.716 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.575 -12.254 6.805 1.00 0.00 H new ATOM 54 N LYS A 5 -10.464 -11.425 2.440 1.00 0.00 N ATOM 55 CA LYS A 5 -9.241 -11.838 1.709 1.00 0.00 C ATOM 56 C LYS A 5 -8.775 -10.666 0.865 1.00 0.00 C ATOM 57 O LYS A 5 -8.379 -10.817 -0.274 1.00 0.00 O ATOM 58 CB LYS A 5 -9.548 -13.038 0.807 1.00 0.00 C ATOM 59 CG LYS A 5 -10.502 -14.004 1.518 1.00 0.00 C ATOM 60 CD LYS A 5 -9.700 -14.939 2.426 1.00 0.00 C ATOM 61 CE LYS A 5 -10.080 -16.394 2.132 1.00 0.00 C ATOM 62 NZ LYS A 5 -11.261 -16.777 2.957 1.00 0.00 N ATOM 0 H LYS A 5 -11.119 -10.849 1.911 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.463 -12.128 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.994 -12.696 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.623 -13.553 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.230 -13.445 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.062 -14.584 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.632 -14.792 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.899 -14.705 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.309 -16.514 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.240 -17.052 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.519 -17.765 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.027 -16.678 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.063 -16.156 2.725 1.00 0.00 H new ATOM 76 N SER A 6 -8.838 -9.492 1.418 1.00 0.00 N ATOM 77 CA SER A 6 -8.415 -8.294 0.646 1.00 0.00 C ATOM 78 C SER A 6 -7.195 -7.668 1.307 1.00 0.00 C ATOM 79 O SER A 6 -7.261 -7.168 2.412 1.00 0.00 O ATOM 80 CB SER A 6 -9.537 -7.258 0.636 1.00 0.00 C ATOM 81 OG SER A 6 -10.785 -7.909 0.498 1.00 0.00 O ATOM 0 H SER A 6 -9.163 -9.309 2.367 1.00 0.00 H new ATOM 0 HA SER A 6 -8.181 -8.600 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.518 -6.678 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.389 -6.556 -0.184 1.00 0.00 H new ATOM 0 HG SER A 6 -11.290 -7.828 1.334 1.00 0.00 H new ATOM 87 N TYR A 7 -6.078 -7.693 0.640 1.00 0.00 N ATOM 88 CA TYR A 7 -4.852 -7.096 1.243 1.00 0.00 C ATOM 89 C TYR A 7 -4.039 -6.344 0.184 1.00 0.00 C ATOM 90 O TYR A 7 -3.909 -6.774 -0.946 1.00 0.00 O ATOM 91 CB TYR A 7 -3.986 -8.201 1.856 1.00 0.00 C ATOM 92 CG TYR A 7 -4.183 -9.492 1.097 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.185 -10.387 1.489 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.360 -9.794 0.005 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.366 -11.585 0.788 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.540 -10.994 -0.694 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.543 -11.889 -0.303 1.00 0.00 C ATOM 98 OH TYR A 7 -4.720 -13.071 -0.991 1.00 0.00 O ATOM 0 H TYR A 7 -5.958 -8.097 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.157 -6.393 2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.936 -7.909 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.250 -8.342 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.818 -10.153 2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.588 -9.102 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.141 -12.275 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.905 -11.229 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.068 -13.126 -1.720 1.00 0.00 H new ATOM 108 N ALA A 8 -3.474 -5.228 0.563 1.00 0.00 N ATOM 109 CA ALA A 8 -2.637 -4.436 -0.383 1.00 0.00 C ATOM 110 C ALA A 8 -1.225 -4.362 0.188 1.00 0.00 C ATOM 111 O ALA A 8 -1.020 -3.867 1.278 1.00 0.00 O ATOM 112 CB ALA A 8 -3.189 -3.017 -0.516 1.00 0.00 C ATOM 0 H ALA A 8 -3.558 -4.828 1.498 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.641 -4.910 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.569 -2.449 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.211 -3.058 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.181 -2.531 0.459 1.00 0.00 H new ATOM 118 N GLU A 9 -0.246 -4.855 -0.514 1.00 0.00 N ATOM 119 CA GLU A 9 1.134 -4.802 0.042 1.00 0.00 C ATOM 120 C GLU A 9 2.134 -4.457 -1.056 1.00 0.00 C ATOM 121 O GLU A 9 1.996 -4.858 -2.200 1.00 0.00 O ATOM 122 CB GLU A 9 1.488 -6.160 0.657 1.00 0.00 C ATOM 123 CG GLU A 9 0.255 -6.737 1.359 1.00 0.00 C ATOM 124 CD GLU A 9 0.695 -7.582 2.556 1.00 0.00 C ATOM 125 OE1 GLU A 9 1.661 -7.207 3.198 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.057 -8.590 2.811 1.00 0.00 O ATOM 0 H GLU A 9 -0.337 -5.286 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 9 1.178 -4.030 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.832 -6.844 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.306 -6.047 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.398 -5.930 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.321 -7.347 0.662 1.00 0.00 H new ATOM 133 N GLY A 10 3.137 -3.701 -0.716 1.00 0.00 N ATOM 134 CA GLY A 10 4.150 -3.324 -1.727 1.00 0.00 C ATOM 135 C GLY A 10 5.415 -2.822 -1.038 1.00 0.00 C ATOM 136 O GLY A 10 5.436 -2.633 0.162 1.00 0.00 O ATOM 0 H GLY A 10 3.296 -3.329 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.385 -4.183 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.751 -2.549 -2.382 1.00 0.00 H new ATOM 140 N PRO A 11 6.419 -2.559 -1.839 1.00 0.00 N ATOM 141 CA PRO A 11 7.691 -2.001 -1.358 1.00 0.00 C ATOM 142 C PRO A 11 7.512 -0.490 -1.151 1.00 0.00 C ATOM 143 O PRO A 11 8.458 0.241 -0.938 1.00 0.00 O ATOM 144 CB PRO A 11 8.665 -2.283 -2.503 1.00 0.00 C ATOM 145 CG PRO A 11 7.801 -2.458 -3.774 1.00 0.00 C ATOM 146 CD PRO A 11 6.379 -2.806 -3.294 1.00 0.00 C ATOM 0 HA PRO A 11 8.037 -2.422 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.372 -1.462 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.250 -3.181 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.797 -1.544 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.200 -3.249 -4.408 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.630 -2.184 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.126 -3.843 -3.515 1.00 0.00 H new ATOM 154 N GLY A 12 6.288 -0.030 -1.220 1.00 0.00 N ATOM 155 CA GLY A 12 5.993 1.411 -1.042 1.00 0.00 C ATOM 156 C GLY A 12 5.125 1.567 0.199 1.00 0.00 C ATOM 157 O GLY A 12 4.476 0.637 0.600 1.00 0.00 O ATOM 0 H GLY A 12 5.468 -0.611 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.918 1.978 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.478 1.805 -1.918 1.00 0.00 H new ATOM 161 N LEU A 13 5.111 2.724 0.805 1.00 0.00 N ATOM 162 CA LEU A 13 4.267 2.938 2.024 1.00 0.00 C ATOM 163 C LEU A 13 5.038 2.537 3.272 1.00 0.00 C ATOM 164 O LEU A 13 4.612 2.775 4.384 1.00 0.00 O ATOM 165 CB LEU A 13 2.948 2.157 1.885 1.00 0.00 C ATOM 166 CG LEU A 13 2.888 0.859 2.732 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.748 0.967 3.736 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.616 -0.342 1.818 1.00 0.00 C ATOM 0 H LEU A 13 5.650 3.537 0.508 1.00 0.00 H new ATOM 0 HA LEU A 13 4.020 3.995 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.122 2.806 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.799 1.901 0.836 1.00 0.00 H new ATOM 0 HG LEU A 13 3.838 0.726 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.702 0.057 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.919 1.822 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.806 1.100 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.574 -1.252 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.665 -0.201 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.415 -0.428 1.082 1.00 0.00 H new ATOM 180 N ASP A 14 6.183 1.961 3.096 1.00 0.00 N ATOM 181 CA ASP A 14 6.999 1.579 4.277 1.00 0.00 C ATOM 182 C ASP A 14 7.436 2.858 4.972 1.00 0.00 C ATOM 183 O ASP A 14 7.789 2.868 6.135 1.00 0.00 O ATOM 184 CB ASP A 14 8.244 0.842 3.821 1.00 0.00 C ATOM 185 CG ASP A 14 7.885 -0.169 2.729 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.238 0.224 1.773 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.264 -1.320 2.869 1.00 0.00 O ATOM 0 H ASP A 14 6.593 1.736 2.189 1.00 0.00 H new ATOM 0 HA ASP A 14 6.417 0.941 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.979 1.553 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.703 0.329 4.666 1.00 0.00 H new ATOM 192 N GLY A 15 7.408 3.939 4.250 1.00 0.00 N ATOM 193 CA GLY A 15 7.817 5.248 4.839 1.00 0.00 C ATOM 194 C GLY A 15 9.328 5.427 4.759 1.00 0.00 C ATOM 195 O GLY A 15 9.950 5.212 3.737 1.00 0.00 O ATOM 0 H GLY A 15 7.119 3.976 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.321 6.061 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.494 5.301 5.879 1.00 0.00 H new ATOM 199 N GLY A 16 9.913 5.822 5.853 1.00 0.00 N ATOM 200 CA GLY A 16 11.389 6.031 5.897 1.00 0.00 C ATOM 201 C GLY A 16 11.810 7.238 5.065 1.00 0.00 C ATOM 202 O GLY A 16 11.959 8.332 5.572 1.00 0.00 O ATOM 0 H GLY A 16 9.427 6.012 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.706 6.172 6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.895 5.139 5.527 1.00 0.00 H new ATOM 206 N GLU A 17 12.044 7.043 3.801 1.00 0.00 N ATOM 207 CA GLU A 17 12.504 8.175 2.956 1.00 0.00 C ATOM 208 C GLU A 17 11.418 8.644 1.994 1.00 0.00 C ATOM 209 O GLU A 17 10.611 7.874 1.510 1.00 0.00 O ATOM 210 CB GLU A 17 13.694 7.718 2.134 1.00 0.00 C ATOM 211 CG GLU A 17 14.966 7.756 2.987 1.00 0.00 C ATOM 212 CD GLU A 17 16.062 6.928 2.313 1.00 0.00 C ATOM 213 OE1 GLU A 17 16.295 7.138 1.134 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.649 6.098 2.987 1.00 0.00 O ATOM 0 H GLU A 17 11.937 6.151 3.317 1.00 0.00 H new ATOM 0 HA GLU A 17 12.764 9.002 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.524 6.707 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.812 8.361 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.300 8.786 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.760 7.363 3.983 1.00 0.00 H new ATOM 221 N CYS A 18 11.406 9.914 1.714 1.00 0.00 N ATOM 222 CA CYS A 18 10.383 10.477 0.771 1.00 0.00 C ATOM 223 C CYS A 18 10.896 10.368 -0.665 1.00 0.00 C ATOM 224 O CYS A 18 10.145 10.487 -1.612 1.00 0.00 O ATOM 225 CB CYS A 18 10.141 11.966 1.048 1.00 0.00 C ATOM 226 SG CYS A 18 8.681 12.185 2.102 1.00 0.00 S ATOM 0 H CYS A 18 12.061 10.596 2.096 1.00 0.00 H new ATOM 0 HA CYS A 18 9.460 9.914 0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.016 12.399 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.002 12.499 0.108 1.00 0.00 H new ATOM 0 HG CYS A 18 8.724 13.356 2.665 1.00 0.00 H new ATOM 232 N PHE A 19 12.170 10.167 -0.835 1.00 0.00 N ATOM 233 CA PHE A 19 12.727 10.081 -2.215 1.00 0.00 C ATOM 234 C PHE A 19 12.714 8.643 -2.691 1.00 0.00 C ATOM 235 O PHE A 19 13.289 8.303 -3.706 1.00 0.00 O ATOM 236 CB PHE A 19 14.141 10.648 -2.240 1.00 0.00 C ATOM 237 CG PHE A 19 14.023 12.140 -2.145 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.354 12.697 -1.059 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.548 12.966 -3.144 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.206 14.073 -0.956 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.404 14.355 -3.040 1.00 0.00 C ATOM 242 CZ PHE A 19 13.729 14.904 -1.943 1.00 0.00 C ATOM 0 H PHE A 19 12.850 10.059 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 19 12.107 10.671 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.728 10.255 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.655 10.360 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.948 12.055 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.062 12.535 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.686 14.499 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.812 15.001 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.614 15.975 -1.862 1.00 0.00 H new ATOM 252 N GLN A 20 12.017 7.804 -1.994 1.00 0.00 N ATOM 253 CA GLN A 20 11.911 6.402 -2.432 1.00 0.00 C ATOM 254 C GLN A 20 10.590 6.297 -3.177 1.00 0.00 C ATOM 255 O GLN A 20 9.634 6.956 -2.820 1.00 0.00 O ATOM 256 CB GLN A 20 11.901 5.473 -1.213 1.00 0.00 C ATOM 257 CG GLN A 20 13.225 4.713 -1.138 1.00 0.00 C ATOM 258 CD GLN A 20 12.946 3.215 -1.006 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.812 2.787 -1.092 1.00 0.00 O ATOM 260 NE2 GLN A 20 13.938 2.393 -0.798 1.00 0.00 N ATOM 0 H GLN A 20 11.515 8.032 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 20 12.752 6.112 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.751 6.053 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.070 4.771 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.818 4.906 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.809 5.062 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.890 2.751 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.761 1.393 -0.708 1.00 0.00 H new ATOM 269 N PRO A 21 10.564 5.497 -4.195 1.00 0.00 N ATOM 270 CA PRO A 21 9.354 5.328 -5.001 1.00 0.00 C ATOM 271 C PRO A 21 8.301 4.615 -4.166 1.00 0.00 C ATOM 272 O PRO A 21 8.566 3.587 -3.573 1.00 0.00 O ATOM 273 CB PRO A 21 9.826 4.493 -6.197 1.00 0.00 C ATOM 274 CG PRO A 21 11.128 3.792 -5.743 1.00 0.00 C ATOM 275 CD PRO A 21 11.709 4.667 -4.617 1.00 0.00 C ATOM 0 HA PRO A 21 8.895 6.259 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.070 3.762 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.006 5.125 -7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.924 2.782 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.832 3.702 -6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.089 4.061 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.538 5.279 -4.972 1.00 0.00 H new ATOM 283 N SER A 22 7.116 5.151 -4.086 1.00 0.00 N ATOM 284 CA SER A 22 6.087 4.490 -3.259 1.00 0.00 C ATOM 285 C SER A 22 5.110 3.780 -4.182 1.00 0.00 C ATOM 286 O SER A 22 4.380 4.403 -4.919 1.00 0.00 O ATOM 287 CB SER A 22 5.361 5.561 -2.479 1.00 0.00 C ATOM 288 OG SER A 22 5.193 5.125 -1.137 1.00 0.00 O ATOM 0 H SER A 22 6.823 6.009 -4.554 1.00 0.00 H new ATOM 0 HA SER A 22 6.534 3.767 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.926 6.493 -2.504 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.391 5.764 -2.933 1.00 0.00 H new ATOM 0 HG SER A 22 4.440 5.602 -0.730 1.00 0.00 H new ATOM 294 N LYS A 23 5.107 2.477 -4.160 1.00 0.00 N ATOM 295 CA LYS A 23 4.189 1.728 -5.048 1.00 0.00 C ATOM 296 C LYS A 23 3.841 0.381 -4.425 1.00 0.00 C ATOM 297 O LYS A 23 4.695 -0.327 -3.931 1.00 0.00 O ATOM 298 CB LYS A 23 4.879 1.474 -6.380 1.00 0.00 C ATOM 299 CG LYS A 23 5.703 2.699 -6.787 1.00 0.00 C ATOM 300 CD LYS A 23 6.427 2.430 -8.112 1.00 0.00 C ATOM 301 CE LYS A 23 5.509 1.673 -9.075 1.00 0.00 C ATOM 302 NZ LYS A 23 6.020 1.818 -10.467 1.00 0.00 N ATOM 0 H LYS A 23 5.702 1.902 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 23 3.281 2.313 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.526 0.600 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.137 1.254 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.052 3.567 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.429 2.934 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.739 3.373 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.331 1.850 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.466 0.619 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.493 2.062 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.396 1.304 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.039 2.825 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.982 1.427 -10.526 1.00 0.00 H new ATOM 316 N PHE A 24 2.594 0.016 -4.460 1.00 0.00 N ATOM 317 CA PHE A 24 2.181 -1.300 -3.888 1.00 0.00 C ATOM 318 C PHE A 24 1.119 -1.927 -4.788 1.00 0.00 C ATOM 319 O PHE A 24 0.446 -1.246 -5.543 1.00 0.00 O ATOM 320 CB PHE A 24 1.612 -1.155 -2.465 1.00 0.00 C ATOM 321 CG PHE A 24 1.659 0.276 -2.024 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.892 0.908 -1.883 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.475 0.971 -1.759 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.953 2.237 -1.479 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.535 2.305 -1.353 1.00 0.00 C ATOM 326 CZ PHE A 24 1.779 2.937 -1.215 1.00 0.00 C ATOM 0 H PHE A 24 1.837 0.571 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 24 3.066 -1.934 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.584 -1.516 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.184 -1.774 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.803 0.365 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.480 0.479 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.910 2.726 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.375 2.849 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.827 3.970 -0.903 1.00 0.00 H new ATOM 336 N LYS A 25 0.960 -3.220 -4.710 1.00 0.00 N ATOM 337 CA LYS A 25 -0.061 -3.892 -5.562 1.00 0.00 C ATOM 338 C LYS A 25 -1.130 -4.483 -4.646 1.00 0.00 C ATOM 339 O LYS A 25 -0.844 -4.927 -3.549 1.00 0.00 O ATOM 340 CB LYS A 25 0.606 -5.004 -6.379 1.00 0.00 C ATOM 341 CG LYS A 25 1.391 -4.380 -7.536 1.00 0.00 C ATOM 342 CD LYS A 25 2.335 -5.421 -8.142 1.00 0.00 C ATOM 343 CE LYS A 25 1.523 -6.469 -8.904 1.00 0.00 C ATOM 344 NZ LYS A 25 0.852 -5.829 -10.069 1.00 0.00 N ATOM 0 H LYS A 25 1.491 -3.838 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.514 -3.179 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.273 -5.587 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.148 -5.690 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.703 -4.012 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.961 -3.522 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.044 -4.937 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.918 -5.900 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.176 -7.273 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.780 -6.918 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.682 -6.542 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.056 -5.421 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.460 -5.076 -10.449 1.00 0.00 H new ATOM 358 N ILE A 26 -2.367 -4.451 -5.061 1.00 0.00 N ATOM 359 CA ILE A 26 -3.441 -4.969 -4.180 1.00 0.00 C ATOM 360 C ILE A 26 -4.060 -6.229 -4.768 1.00 0.00 C ATOM 361 O ILE A 26 -4.078 -6.434 -5.965 1.00 0.00 O ATOM 362 CB ILE A 26 -4.512 -3.895 -4.036 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.821 -2.529 -3.929 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.338 -4.170 -2.776 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.772 -1.507 -3.314 1.00 0.00 C ATOM 0 H ILE A 26 -2.675 -4.091 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.018 -5.218 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.177 -3.901 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.922 -2.614 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.505 -2.194 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.106 -3.403 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.811 -5.148 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.686 -4.154 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.272 -0.541 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.658 -1.411 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.067 -1.837 -2.318 1.00 0.00 H new ATOM 377 N HIS A 27 -4.572 -7.071 -3.921 1.00 0.00 N ATOM 378 CA HIS A 27 -5.204 -8.326 -4.401 1.00 0.00 C ATOM 379 C HIS A 27 -6.432 -8.653 -3.546 1.00 0.00 C ATOM 380 O HIS A 27 -6.337 -8.855 -2.344 1.00 0.00 O ATOM 381 CB HIS A 27 -4.207 -9.479 -4.297 1.00 0.00 C ATOM 382 CG HIS A 27 -2.833 -8.984 -4.648 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.208 -7.983 -3.926 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.956 -9.335 -5.643 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.011 -7.764 -4.492 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.804 -8.562 -5.544 1.00 0.00 N ATOM 0 H HIS A 27 -4.580 -6.943 -2.909 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.506 -8.191 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.211 -9.888 -3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.497 -10.287 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.133 -10.095 -6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.300 -7.031 -4.140 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.020 -8.597 -6.144 1.00 0.00 H new ATOM 394 N ALA A 28 -7.582 -8.701 -4.160 1.00 0.00 N ATOM 395 CA ALA A 28 -8.831 -9.020 -3.402 1.00 0.00 C ATOM 396 C ALA A 28 -9.279 -10.461 -3.691 1.00 0.00 C ATOM 397 O ALA A 28 -9.404 -10.861 -4.826 1.00 0.00 O ATOM 398 CB ALA A 28 -9.941 -8.070 -3.842 1.00 0.00 C ATOM 0 H ALA A 28 -7.714 -8.533 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.632 -8.909 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.854 -8.298 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.642 -7.042 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.121 -8.190 -4.910 1.00 0.00 H new ATOM 404 N VAL A 29 -9.558 -11.236 -2.673 1.00 0.00 N ATOM 405 CA VAL A 29 -10.029 -12.630 -2.910 1.00 0.00 C ATOM 406 C VAL A 29 -11.458 -12.747 -2.378 1.00 0.00 C ATOM 407 O VAL A 29 -11.740 -12.458 -1.232 1.00 0.00 O ATOM 408 CB VAL A 29 -9.096 -13.631 -2.211 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.864 -14.901 -1.824 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.968 -14.007 -3.170 1.00 0.00 C ATOM 0 H VAL A 29 -9.480 -10.963 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.017 -12.860 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.694 -13.171 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.188 -15.599 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.677 -14.642 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.274 -15.366 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.299 -14.717 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.389 -14.460 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.410 -13.112 -3.444 1.00 0.00 H new ATOM 420 N ASP A 30 -12.358 -13.158 -3.215 1.00 0.00 N ATOM 421 CA ASP A 30 -13.778 -13.287 -2.799 1.00 0.00 C ATOM 422 C ASP A 30 -14.033 -14.732 -2.350 1.00 0.00 C ATOM 423 O ASP A 30 -13.115 -15.526 -2.299 1.00 0.00 O ATOM 424 CB ASP A 30 -14.665 -12.886 -3.988 1.00 0.00 C ATOM 425 CG ASP A 30 -15.053 -14.110 -4.825 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.166 -14.873 -5.172 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.231 -14.261 -5.107 1.00 0.00 O ATOM 0 H ASP A 30 -12.170 -13.414 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.012 -12.632 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.565 -12.391 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.137 -12.167 -4.614 1.00 0.00 H new ATOM 432 N PRO A 31 -15.259 -15.028 -2.014 1.00 0.00 N ATOM 433 CA PRO A 31 -15.639 -16.367 -1.540 1.00 0.00 C ATOM 434 C PRO A 31 -15.765 -17.370 -2.694 1.00 0.00 C ATOM 435 O PRO A 31 -16.353 -18.421 -2.535 1.00 0.00 O ATOM 436 CB PRO A 31 -16.993 -16.137 -0.864 1.00 0.00 C ATOM 437 CG PRO A 31 -17.568 -14.833 -1.465 1.00 0.00 C ATOM 438 CD PRO A 31 -16.379 -14.066 -2.072 1.00 0.00 C ATOM 0 HA PRO A 31 -14.892 -16.796 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.664 -16.976 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.877 -16.048 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.316 -15.054 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.062 -14.237 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.586 -13.757 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.157 -13.162 -1.505 1.00 0.00 H new ATOM 446 N ASP A 32 -15.219 -17.081 -3.848 1.00 0.00 N ATOM 447 CA ASP A 32 -15.328 -18.061 -4.963 1.00 0.00 C ATOM 448 C ASP A 32 -13.927 -18.521 -5.370 1.00 0.00 C ATOM 449 O ASP A 32 -13.745 -19.165 -6.384 1.00 0.00 O ATOM 450 CB ASP A 32 -16.013 -17.394 -6.159 1.00 0.00 C ATOM 451 CG ASP A 32 -16.441 -18.463 -7.166 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.326 -19.237 -6.838 1.00 0.00 O ATOM 453 OD2 ASP A 32 -15.879 -18.486 -8.249 1.00 0.00 O ATOM 0 H ASP A 32 -14.711 -16.223 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.915 -18.921 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.881 -16.827 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.333 -16.686 -6.632 1.00 0.00 H new ATOM 458 N GLY A 33 -12.929 -18.166 -4.606 1.00 0.00 N ATOM 459 CA GLY A 33 -11.542 -18.554 -4.974 1.00 0.00 C ATOM 460 C GLY A 33 -11.179 -17.717 -6.186 1.00 0.00 C ATOM 461 O GLY A 33 -10.560 -18.177 -7.126 1.00 0.00 O ATOM 0 H GLY A 33 -13.016 -17.625 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.853 -18.366 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.483 -19.618 -5.203 1.00 0.00 H new ATOM 465 N VAL A 34 -11.614 -16.489 -6.178 1.00 0.00 N ATOM 466 CA VAL A 34 -11.366 -15.596 -7.330 1.00 0.00 C ATOM 467 C VAL A 34 -11.286 -14.157 -6.840 1.00 0.00 C ATOM 468 O VAL A 34 -11.493 -13.872 -5.678 1.00 0.00 O ATOM 469 CB VAL A 34 -12.544 -15.722 -8.300 1.00 0.00 C ATOM 470 CG1 VAL A 34 -12.070 -15.431 -9.721 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.114 -17.142 -8.229 1.00 0.00 C ATOM 0 H VAL A 34 -12.136 -16.066 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.433 -15.869 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.319 -15.006 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.910 -15.521 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.667 -14.419 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.294 -16.144 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.953 -17.232 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.340 -17.859 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.456 -17.347 -7.214 1.00 0.00 H new ATOM 481 N HIS A 35 -11.014 -13.245 -7.722 1.00 0.00 N ATOM 482 CA HIS A 35 -10.954 -11.823 -7.312 1.00 0.00 C ATOM 483 C HIS A 35 -12.370 -11.258 -7.362 1.00 0.00 C ATOM 484 O HIS A 35 -12.644 -10.282 -8.032 1.00 0.00 O ATOM 485 CB HIS A 35 -10.046 -11.058 -8.271 1.00 0.00 C ATOM 486 CG HIS A 35 -8.627 -11.166 -7.791 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.932 -10.468 -6.843 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -7.739 -12.091 -8.310 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.628 -10.947 -6.768 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.565 -11.926 -7.674 1.00 0.00 N flip ATOM 0 H HIS A 35 -10.831 -13.423 -8.709 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.552 -11.728 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.135 -11.464 -9.278 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.348 -10.012 -8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.950 -12.814 -9.084 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.838 -10.602 -6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.730 -12.481 -7.861 1.00 0.00 H new ATOM 498 N ARG A 36 -13.279 -11.895 -6.677 1.00 0.00 N ATOM 499 CA ARG A 36 -14.689 -11.440 -6.694 1.00 0.00 C ATOM 500 C ARG A 36 -15.105 -11.264 -8.141 1.00 0.00 C ATOM 501 O ARG A 36 -15.354 -10.163 -8.593 1.00 0.00 O ATOM 502 CB ARG A 36 -14.828 -10.117 -5.953 1.00 0.00 C ATOM 503 CG ARG A 36 -16.271 -9.981 -5.481 1.00 0.00 C ATOM 504 CD ARG A 36 -16.817 -8.611 -5.883 1.00 0.00 C ATOM 505 NE ARG A 36 -18.221 -8.755 -6.360 1.00 0.00 N ATOM 506 CZ ARG A 36 -19.039 -7.741 -6.295 1.00 0.00 C ATOM 507 NH1 ARG A 36 -19.114 -7.034 -5.201 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.781 -7.434 -7.323 1.00 0.00 N ATOM 0 H ARG A 36 -13.099 -12.718 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.324 -12.175 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.146 -10.084 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.563 -9.286 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.883 -10.770 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.323 -10.101 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.779 -7.929 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.198 -8.177 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.543 -9.646 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.533 -7.274 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.753 -6.241 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.722 -7.987 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.421 -6.641 -7.272 1.00 0.00 H new ATOM 522 N THR A 37 -15.165 -12.339 -8.879 1.00 0.00 N ATOM 523 CA THR A 37 -15.541 -12.223 -10.321 1.00 0.00 C ATOM 524 C THR A 37 -14.822 -10.997 -10.911 1.00 0.00 C ATOM 525 O THR A 37 -15.386 -9.924 -10.992 1.00 0.00 O ATOM 526 CB THR A 37 -17.056 -12.037 -10.438 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.666 -12.337 -9.190 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.606 -12.975 -11.514 1.00 0.00 C ATOM 0 H THR A 37 -14.972 -13.286 -8.552 1.00 0.00 H new ATOM 0 HA THR A 37 -15.251 -13.124 -10.862 1.00 0.00 H new ATOM 0 HB THR A 37 -17.275 -11.005 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.636 -12.217 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.685 -12.842 -11.596 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.138 -12.745 -12.471 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.388 -14.008 -11.242 1.00 0.00 H new ATOM 536 N ASP A 38 -13.572 -11.135 -11.286 1.00 0.00 N ATOM 537 CA ASP A 38 -12.814 -9.968 -11.828 1.00 0.00 C ATOM 538 C ASP A 38 -13.683 -9.152 -12.784 1.00 0.00 C ATOM 539 O ASP A 38 -14.750 -9.569 -13.189 1.00 0.00 O ATOM 540 CB ASP A 38 -11.569 -10.462 -12.563 1.00 0.00 C ATOM 541 CG ASP A 38 -10.365 -9.635 -12.111 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.404 -8.427 -12.281 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.428 -10.223 -11.597 1.00 0.00 O ATOM 0 H ASP A 38 -13.046 -12.007 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.521 -9.329 -10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.401 -11.518 -12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.706 -10.370 -13.640 1.00 0.00 H new ATOM 548 N GLY A 39 -13.225 -7.984 -13.148 1.00 0.00 N ATOM 549 CA GLY A 39 -14.012 -7.128 -14.077 1.00 0.00 C ATOM 550 C GLY A 39 -14.534 -5.893 -13.330 1.00 0.00 C ATOM 551 O GLY A 39 -14.433 -4.783 -13.814 1.00 0.00 O ATOM 0 H GLY A 39 -12.337 -7.587 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.390 -6.820 -14.917 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.847 -7.695 -14.489 1.00 0.00 H new ATOM 555 N GLY A 40 -15.097 -6.067 -12.158 1.00 0.00 N ATOM 556 CA GLY A 40 -15.617 -4.891 -11.408 1.00 0.00 C ATOM 557 C GLY A 40 -15.534 -5.157 -9.901 1.00 0.00 C ATOM 558 O GLY A 40 -16.532 -5.408 -9.255 1.00 0.00 O ATOM 0 H GLY A 40 -15.216 -6.968 -11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.039 -4.002 -11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.650 -4.693 -11.695 1.00 0.00 H new ATOM 562 N ASP A 41 -14.358 -5.097 -9.327 1.00 0.00 N ATOM 563 CA ASP A 41 -14.238 -5.339 -7.861 1.00 0.00 C ATOM 564 C ASP A 41 -14.426 -4.017 -7.122 1.00 0.00 C ATOM 565 O ASP A 41 -13.861 -3.007 -7.493 1.00 0.00 O ATOM 566 CB ASP A 41 -12.843 -5.895 -7.535 1.00 0.00 C ATOM 567 CG ASP A 41 -12.797 -7.390 -7.856 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.576 -7.821 -8.691 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.983 -8.078 -7.262 1.00 0.00 O ATOM 0 H ASP A 41 -13.483 -4.892 -9.809 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.997 -6.058 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.086 -5.365 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.613 -5.732 -6.482 1.00 0.00 H new ATOM 574 N GLY A 42 -15.203 -4.007 -6.074 1.00 0.00 N ATOM 575 CA GLY A 42 -15.402 -2.739 -5.316 1.00 0.00 C ATOM 576 C GLY A 42 -14.094 -2.391 -4.611 1.00 0.00 C ATOM 577 O GLY A 42 -14.033 -2.300 -3.402 1.00 0.00 O ATOM 0 H GLY A 42 -15.706 -4.817 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.695 -1.935 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.206 -2.853 -4.589 1.00 0.00 H new ATOM 581 N PHE A 43 -13.040 -2.216 -5.360 1.00 0.00 N ATOM 582 CA PHE A 43 -11.723 -1.901 -4.749 1.00 0.00 C ATOM 583 C PHE A 43 -11.438 -0.405 -4.854 1.00 0.00 C ATOM 584 O PHE A 43 -11.211 0.123 -5.924 1.00 0.00 O ATOM 585 CB PHE A 43 -10.636 -2.662 -5.506 1.00 0.00 C ATOM 586 CG PHE A 43 -9.843 -3.539 -4.564 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.529 -3.100 -3.272 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.397 -4.789 -5.004 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.773 -3.923 -2.424 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.639 -5.605 -4.161 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.327 -5.173 -2.870 1.00 0.00 C ATOM 0 H PHE A 43 -13.038 -2.279 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.736 -2.192 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.089 -3.274 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.969 -1.956 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.867 -2.133 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.640 -5.125 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.534 -3.591 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.295 -6.568 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.742 -5.803 -2.216 1.00 0.00 H new ATOM 601 N VAL A 44 -11.414 0.274 -3.746 1.00 0.00 N ATOM 602 CA VAL A 44 -11.105 1.730 -3.773 1.00 0.00 C ATOM 603 C VAL A 44 -9.863 1.967 -2.909 1.00 0.00 C ATOM 604 O VAL A 44 -9.882 1.775 -1.710 1.00 0.00 O ATOM 605 CB VAL A 44 -12.310 2.560 -3.258 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.299 1.669 -2.497 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.838 3.691 -2.329 1.00 0.00 C ATOM 0 H VAL A 44 -11.595 -0.115 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.911 2.052 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.806 2.991 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.136 2.272 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.669 0.887 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.796 1.213 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.700 4.259 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.315 3.264 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.164 4.352 -2.874 1.00 0.00 H new ATOM 617 N VAL A 45 -8.784 2.380 -3.513 1.00 0.00 N ATOM 618 CA VAL A 45 -7.542 2.624 -2.732 1.00 0.00 C ATOM 619 C VAL A 45 -7.106 4.070 -2.921 1.00 0.00 C ATOM 620 O VAL A 45 -7.340 4.669 -3.952 1.00 0.00 O ATOM 621 CB VAL A 45 -6.439 1.698 -3.229 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.293 1.668 -2.214 1.00 0.00 C ATOM 623 CG2 VAL A 45 -6.997 0.290 -3.414 1.00 0.00 C ATOM 0 H VAL A 45 -8.710 2.559 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.732 2.431 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.064 2.066 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.506 1.005 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.891 2.673 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.665 1.304 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.206 -0.371 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.377 -0.079 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.807 0.312 -4.143 1.00 0.00 H new ATOM 633 N THR A 46 -6.473 4.640 -1.938 1.00 0.00 N ATOM 634 CA THR A 46 -6.028 6.050 -2.080 1.00 0.00 C ATOM 635 C THR A 46 -4.927 6.376 -1.070 1.00 0.00 C ATOM 636 O THR A 46 -5.020 6.064 0.101 1.00 0.00 O ATOM 637 CB THR A 46 -7.220 6.986 -1.857 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.360 6.218 -1.493 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.510 7.758 -3.145 1.00 0.00 C ATOM 0 H THR A 46 -6.246 4.195 -1.049 1.00 0.00 H new ATOM 0 HA THR A 46 -5.629 6.189 -3.085 1.00 0.00 H new ATOM 0 HB THR A 46 -6.987 7.691 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.124 6.815 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.358 8.424 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.634 8.345 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.744 7.056 -3.945 1.00 0.00 H new ATOM 647 N ILE A 47 -3.896 7.029 -1.526 1.00 0.00 N ATOM 648 CA ILE A 47 -2.780 7.429 -0.624 1.00 0.00 C ATOM 649 C ILE A 47 -2.561 8.923 -0.738 1.00 0.00 C ATOM 650 O ILE A 47 -2.861 9.533 -1.745 1.00 0.00 O ATOM 651 CB ILE A 47 -1.466 6.740 -1.027 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.380 5.341 -0.399 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.267 7.599 -0.566 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.078 5.065 -0.014 1.00 0.00 C ATOM 0 H ILE A 47 -3.777 7.307 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.049 7.138 0.391 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.441 6.636 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.021 5.281 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.734 4.588 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.663 7.109 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.320 8.580 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.297 7.714 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.155 4.074 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.704 5.110 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.413 5.814 0.703 1.00 0.00 H new ATOM 666 N GLU A 48 -1.977 9.512 0.260 1.00 0.00 N ATOM 667 CA GLU A 48 -1.679 10.958 0.145 1.00 0.00 C ATOM 668 C GLU A 48 -0.757 11.414 1.281 1.00 0.00 C ATOM 669 O GLU A 48 -0.723 10.837 2.355 1.00 0.00 O ATOM 670 CB GLU A 48 -2.980 11.767 0.171 1.00 0.00 C ATOM 671 CG GLU A 48 -4.028 11.039 1.018 1.00 0.00 C ATOM 672 CD GLU A 48 -4.773 12.053 1.889 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.235 13.126 2.106 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.870 11.740 2.322 1.00 0.00 O ATOM 0 H GLU A 48 -1.698 9.066 1.134 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.170 11.129 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.793 12.760 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.352 11.906 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.731 10.512 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.547 10.289 1.645 1.00 0.00 H new ATOM 681 N GLY A 49 -0.008 12.456 1.029 1.00 0.00 N ATOM 682 CA GLY A 49 0.934 13.003 2.048 1.00 0.00 C ATOM 683 C GLY A 49 1.201 14.476 1.716 1.00 0.00 C ATOM 684 O GLY A 49 0.526 15.048 0.883 1.00 0.00 O ATOM 0 H GLY A 49 -0.011 12.960 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.508 12.910 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.866 12.438 2.045 1.00 0.00 H new ATOM 688 N PRO A 50 2.177 15.048 2.371 1.00 0.00 N ATOM 689 CA PRO A 50 2.550 16.458 2.157 1.00 0.00 C ATOM 690 C PRO A 50 3.337 16.605 0.851 1.00 0.00 C ATOM 691 O PRO A 50 4.532 16.832 0.856 1.00 0.00 O ATOM 692 CB PRO A 50 3.424 16.786 3.371 1.00 0.00 C ATOM 693 CG PRO A 50 3.959 15.435 3.900 1.00 0.00 C ATOM 694 CD PRO A 50 3.000 14.347 3.377 1.00 0.00 C ATOM 0 HA PRO A 50 1.692 17.125 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.245 17.446 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.846 17.302 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.976 15.257 3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.992 15.431 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.546 13.513 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.386 13.937 4.179 1.00 0.00 H new ATOM 702 N ALA A 51 2.677 16.471 -0.269 1.00 0.00 N ATOM 703 CA ALA A 51 3.386 16.596 -1.574 1.00 0.00 C ATOM 704 C ALA A 51 2.380 16.981 -2.664 1.00 0.00 C ATOM 705 O ALA A 51 1.204 17.121 -2.396 1.00 0.00 O ATOM 706 CB ALA A 51 4.035 15.256 -1.922 1.00 0.00 C ATOM 0 H ALA A 51 1.677 16.280 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 51 4.155 17.366 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.555 15.341 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.747 14.983 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.266 14.487 -1.995 1.00 0.00 H new ATOM 712 N PRO A 52 2.874 17.140 -3.868 1.00 0.00 N ATOM 713 CA PRO A 52 2.039 17.510 -5.025 1.00 0.00 C ATOM 714 C PRO A 52 1.265 16.291 -5.538 1.00 0.00 C ATOM 715 O PRO A 52 0.054 16.305 -5.628 1.00 0.00 O ATOM 716 CB PRO A 52 3.058 17.994 -6.062 1.00 0.00 C ATOM 717 CG PRO A 52 4.413 17.359 -5.673 1.00 0.00 C ATOM 718 CD PRO A 52 4.307 16.969 -4.187 1.00 0.00 C ATOM 0 HA PRO A 52 1.288 18.265 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.762 17.693 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.125 19.082 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.622 16.484 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.230 18.063 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.632 15.942 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.933 17.606 -3.562 1.00 0.00 H new ATOM 726 N VAL A 53 1.955 15.234 -5.871 1.00 0.00 N ATOM 727 CA VAL A 53 1.262 14.012 -6.372 1.00 0.00 C ATOM 728 C VAL A 53 0.924 13.107 -5.182 1.00 0.00 C ATOM 729 O VAL A 53 1.578 12.109 -4.953 1.00 0.00 O ATOM 730 CB VAL A 53 2.187 13.256 -7.330 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.370 12.246 -8.137 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.862 14.244 -8.287 1.00 0.00 C ATOM 0 H VAL A 53 2.971 15.164 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 53 0.349 14.297 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 53 2.950 12.733 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.028 11.708 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.893 11.538 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.605 12.771 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.519 13.701 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.101 14.771 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.447 14.963 -7.714 1.00 0.00 H new ATOM 742 N ASP A 54 -0.072 13.450 -4.407 1.00 0.00 N ATOM 743 CA ASP A 54 -0.409 12.606 -3.227 1.00 0.00 C ATOM 744 C ASP A 54 -1.435 11.516 -3.593 1.00 0.00 C ATOM 745 O ASP A 54 -1.263 10.376 -3.212 1.00 0.00 O ATOM 746 CB ASP A 54 -0.960 13.495 -2.103 1.00 0.00 C ATOM 747 CG ASP A 54 0.129 14.469 -1.645 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.288 14.094 -1.685 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.217 15.576 -1.264 1.00 0.00 O ATOM 0 H ASP A 54 -0.661 14.272 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 54 0.499 12.107 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.832 14.046 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.289 12.880 -1.266 1.00 0.00 H new ATOM 754 N PRO A 55 -2.475 11.884 -4.305 1.00 0.00 N ATOM 755 CA PRO A 55 -3.532 10.932 -4.702 1.00 0.00 C ATOM 756 C PRO A 55 -3.115 10.143 -5.950 1.00 0.00 C ATOM 757 O PRO A 55 -3.223 10.629 -7.058 1.00 0.00 O ATOM 758 CB PRO A 55 -4.720 11.839 -5.028 1.00 0.00 C ATOM 759 CG PRO A 55 -4.129 13.229 -5.367 1.00 0.00 C ATOM 760 CD PRO A 55 -2.704 13.264 -4.782 1.00 0.00 C ATOM 0 HA PRO A 55 -3.747 10.194 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.291 11.444 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.403 11.904 -4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.108 13.387 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.741 14.023 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.971 13.552 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.625 13.985 -3.968 1.00 0.00 H new ATOM 768 N VAL A 56 -2.631 8.938 -5.790 1.00 0.00 N ATOM 769 CA VAL A 56 -2.214 8.160 -6.976 1.00 0.00 C ATOM 770 C VAL A 56 -2.693 6.717 -6.870 1.00 0.00 C ATOM 771 O VAL A 56 -2.021 5.875 -6.310 1.00 0.00 O ATOM 772 CB VAL A 56 -0.707 8.131 -7.027 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.260 7.663 -8.416 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.150 9.527 -6.749 1.00 0.00 C ATOM 0 H VAL A 56 -2.510 8.469 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.641 8.626 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.331 7.443 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.829 7.640 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.652 6.664 -8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.639 8.352 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.939 9.499 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.522 10.223 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.470 9.856 -5.760 1.00 0.00 H new ATOM 784 N MET A 57 -3.826 6.410 -7.417 1.00 0.00 N ATOM 785 CA MET A 57 -4.297 5.003 -7.349 1.00 0.00 C ATOM 786 C MET A 57 -4.939 4.599 -8.677 1.00 0.00 C ATOM 787 O MET A 57 -5.707 5.335 -9.264 1.00 0.00 O ATOM 788 CB MET A 57 -5.285 4.839 -6.193 1.00 0.00 C ATOM 789 CG MET A 57 -6.627 5.479 -6.557 1.00 0.00 C ATOM 790 SD MET A 57 -7.875 4.185 -6.764 1.00 0.00 S ATOM 791 CE MET A 57 -8.585 4.795 -8.313 1.00 0.00 C ATOM 0 H MET A 57 -4.443 7.061 -7.904 1.00 0.00 H new ATOM 0 HA MET A 57 -3.445 4.348 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.425 3.781 -5.971 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.884 5.303 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.934 6.174 -5.776 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.530 6.056 -7.477 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.634 4.505 -8.372 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.507 5.882 -8.346 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.042 4.366 -9.156 1.00 0.00 H new ATOM 801 N VAL A 58 -4.608 3.430 -9.161 1.00 0.00 N ATOM 802 CA VAL A 58 -5.174 2.967 -10.458 1.00 0.00 C ATOM 803 C VAL A 58 -5.746 1.554 -10.298 1.00 0.00 C ATOM 804 O VAL A 58 -5.341 0.796 -9.432 1.00 0.00 O ATOM 805 CB VAL A 58 -4.083 2.935 -11.536 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.635 3.523 -12.836 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.869 3.756 -11.085 1.00 0.00 C ATOM 0 H VAL A 58 -3.968 2.776 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.961 3.659 -10.757 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.775 1.902 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.861 3.501 -13.603 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.491 2.934 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.947 4.553 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.102 3.726 -11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.172 4.789 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.470 3.338 -10.161 1.00 0.00 H new ATOM 817 N ASP A 59 -6.680 1.194 -11.140 1.00 0.00 N ATOM 818 CA ASP A 59 -7.292 -0.162 -11.065 1.00 0.00 C ATOM 819 C ASP A 59 -7.080 -0.882 -12.400 1.00 0.00 C ATOM 820 O ASP A 59 -7.400 -0.363 -13.451 1.00 0.00 O ATOM 821 CB ASP A 59 -8.794 -0.021 -10.786 1.00 0.00 C ATOM 822 CG ASP A 59 -9.514 -1.328 -11.131 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.881 -2.369 -11.053 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.684 -1.265 -11.469 1.00 0.00 O ATOM 0 H ASP A 59 -7.047 1.789 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.827 -0.737 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.956 0.228 -9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.207 0.798 -11.375 1.00 0.00 H new ATOM 829 N ASN A 60 -6.533 -2.067 -12.372 1.00 0.00 N ATOM 830 CA ASN A 60 -6.295 -2.804 -13.647 1.00 0.00 C ATOM 831 C ASN A 60 -7.515 -3.652 -14.019 1.00 0.00 C ATOM 832 O ASN A 60 -7.588 -4.192 -15.104 1.00 0.00 O ATOM 833 CB ASN A 60 -5.074 -3.712 -13.487 1.00 0.00 C ATOM 834 CG ASN A 60 -3.823 -2.854 -13.291 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.610 -1.896 -14.007 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.981 -3.159 -12.343 1.00 0.00 N ATOM 0 H ASN A 60 -6.241 -2.555 -11.525 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.120 -2.079 -14.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.210 -4.376 -12.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.960 -4.345 -14.367 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.144 -2.593 -12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.160 -3.963 -11.742 1.00 0.00 H new ATOM 843 N GLY A 61 -8.475 -3.776 -13.147 1.00 0.00 N ATOM 844 CA GLY A 61 -9.670 -4.590 -13.488 1.00 0.00 C ATOM 845 C GLY A 61 -9.292 -6.070 -13.494 1.00 0.00 C ATOM 846 O GLY A 61 -10.018 -6.905 -13.993 1.00 0.00 O ATOM 0 H GLY A 61 -8.483 -3.352 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.465 -4.409 -12.764 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.056 -4.298 -14.465 1.00 0.00 H new ATOM 850 N ASP A 62 -8.156 -6.401 -12.940 1.00 0.00 N ATOM 851 CA ASP A 62 -7.730 -7.827 -12.910 1.00 0.00 C ATOM 852 C ASP A 62 -7.737 -8.316 -11.462 1.00 0.00 C ATOM 853 O ASP A 62 -6.896 -9.091 -11.051 1.00 0.00 O ATOM 854 CB ASP A 62 -6.320 -7.949 -13.492 1.00 0.00 C ATOM 855 CG ASP A 62 -5.349 -7.112 -12.657 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.815 -6.249 -11.932 1.00 0.00 O ATOM 857 OD2 ASP A 62 -4.157 -7.349 -12.758 1.00 0.00 O ATOM 0 H ASP A 62 -7.506 -5.744 -12.508 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.414 -8.433 -13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.006 -8.993 -13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.312 -7.609 -14.528 1.00 0.00 H new ATOM 862 N GLY A 63 -8.688 -7.869 -10.686 1.00 0.00 N ATOM 863 CA GLY A 63 -8.767 -8.302 -9.262 1.00 0.00 C ATOM 864 C GLY A 63 -7.577 -7.751 -8.467 1.00 0.00 C ATOM 865 O GLY A 63 -7.422 -8.021 -7.286 1.00 0.00 O ATOM 0 H GLY A 63 -9.417 -7.219 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.700 -7.952 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.776 -9.391 -9.207 1.00 0.00 H new ATOM 869 N THR A 64 -6.734 -6.976 -9.097 1.00 0.00 N ATOM 870 CA THR A 64 -5.562 -6.418 -8.377 1.00 0.00 C ATOM 871 C THR A 64 -5.472 -4.917 -8.644 1.00 0.00 C ATOM 872 O THR A 64 -5.808 -4.447 -9.713 1.00 0.00 O ATOM 873 CB THR A 64 -4.289 -7.091 -8.878 1.00 0.00 C ATOM 874 OG1 THR A 64 -4.364 -7.253 -10.287 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.133 -8.458 -8.212 1.00 0.00 C ATOM 0 H THR A 64 -6.810 -6.708 -10.078 1.00 0.00 H new ATOM 0 HA THR A 64 -5.675 -6.597 -7.308 1.00 0.00 H new ATOM 0 HB THR A 64 -3.429 -6.470 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.825 -6.483 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.222 -8.936 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.073 -8.331 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.992 -9.082 -8.457 1.00 0.00 H new ATOM 883 N TYR A 65 -5.036 -4.155 -7.680 1.00 0.00 N ATOM 884 CA TYR A 65 -4.946 -2.685 -7.885 1.00 0.00 C ATOM 885 C TYR A 65 -3.528 -2.195 -7.601 1.00 0.00 C ATOM 886 O TYR A 65 -2.790 -2.798 -6.849 1.00 0.00 O ATOM 887 CB TYR A 65 -5.942 -1.999 -6.956 1.00 0.00 C ATOM 888 CG TYR A 65 -7.326 -2.364 -7.418 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.730 -3.703 -7.408 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.189 -1.376 -7.892 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.995 -4.053 -7.872 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.459 -1.724 -8.351 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.865 -3.065 -8.344 1.00 0.00 C ATOM 894 OH TYR A 65 -11.120 -3.410 -8.804 1.00 0.00 O ATOM 0 H TYR A 65 -4.739 -4.486 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.185 -2.443 -8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.786 -2.319 -5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.804 -0.918 -6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.060 -4.466 -7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.874 -0.343 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.305 -5.088 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.130 -0.959 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.595 -2.604 -9.094 1.00 0.00 H new ATOM 904 N ASP A 66 -3.138 -1.105 -8.208 1.00 0.00 N ATOM 905 CA ASP A 66 -1.763 -0.584 -7.978 1.00 0.00 C ATOM 906 C ASP A 66 -1.833 0.891 -7.590 1.00 0.00 C ATOM 907 O ASP A 66 -2.463 1.688 -8.256 1.00 0.00 O ATOM 908 CB ASP A 66 -0.941 -0.734 -9.261 1.00 0.00 C ATOM 909 CG ASP A 66 -0.813 -2.216 -9.617 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.746 -2.952 -9.345 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.217 -2.588 -10.156 1.00 0.00 O ATOM 0 H ASP A 66 -3.711 -0.557 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.291 -1.148 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.420 -0.193 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.048 -0.295 -9.125 1.00 0.00 H new ATOM 916 N VAL A 67 -1.192 1.263 -6.519 1.00 0.00 N ATOM 917 CA VAL A 67 -1.225 2.688 -6.098 1.00 0.00 C ATOM 918 C VAL A 67 0.222 3.194 -5.972 1.00 0.00 C ATOM 919 O VAL A 67 1.104 2.443 -5.595 1.00 0.00 O ATOM 920 CB VAL A 67 -1.971 2.793 -4.763 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.166 1.839 -4.773 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.061 2.408 -3.624 1.00 0.00 C ATOM 0 H VAL A 67 -0.648 0.643 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.747 3.303 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.306 3.822 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.698 1.912 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.839 2.107 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.814 0.817 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.604 2.487 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.720 1.382 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.200 3.076 -3.604 1.00 0.00 H new ATOM 932 N GLU A 68 0.498 4.440 -6.304 1.00 0.00 N ATOM 933 CA GLU A 68 1.923 4.912 -6.216 1.00 0.00 C ATOM 934 C GLU A 68 2.034 6.421 -5.976 1.00 0.00 C ATOM 935 O GLU A 68 1.573 7.213 -6.751 1.00 0.00 O ATOM 936 CB GLU A 68 2.635 4.638 -7.536 1.00 0.00 C ATOM 937 CG GLU A 68 2.214 3.282 -8.110 1.00 0.00 C ATOM 938 CD GLU A 68 0.813 3.388 -8.717 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.328 4.498 -8.849 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.250 2.354 -9.040 1.00 0.00 O ATOM 0 H GLU A 68 -0.180 5.132 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 68 2.369 4.376 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.403 5.428 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.714 4.654 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.926 2.962 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.224 2.526 -7.325 1.00 0.00 H new ATOM 947 N PHE A 69 2.746 6.820 -4.970 1.00 0.00 N ATOM 948 CA PHE A 69 2.965 8.284 -4.742 1.00 0.00 C ATOM 949 C PHE A 69 4.465 8.485 -4.481 1.00 0.00 C ATOM 950 O PHE A 69 5.157 7.567 -4.067 1.00 0.00 O ATOM 951 CB PHE A 69 2.128 8.816 -3.559 1.00 0.00 C ATOM 952 CG PHE A 69 2.652 8.265 -2.274 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.558 6.898 -2.011 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.218 9.129 -1.334 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.031 6.395 -0.801 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.695 8.623 -0.127 1.00 0.00 C ATOM 957 CZ PHE A 69 3.596 7.251 0.134 1.00 0.00 C ATOM 0 H PHE A 69 3.190 6.203 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 69 2.643 8.845 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.164 9.905 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.083 8.533 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.121 6.233 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.286 10.187 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.958 5.338 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.138 9.285 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.962 6.856 1.070 1.00 0.00 H new ATOM 967 N GLU A 70 5.000 9.645 -4.757 1.00 0.00 N ATOM 968 CA GLU A 70 6.465 9.832 -4.539 1.00 0.00 C ATOM 969 C GLU A 70 6.793 11.310 -4.243 1.00 0.00 C ATOM 970 O GLU A 70 6.920 12.107 -5.152 1.00 0.00 O ATOM 971 CB GLU A 70 7.201 9.371 -5.797 1.00 0.00 C ATOM 972 CG GLU A 70 6.723 10.182 -7.004 1.00 0.00 C ATOM 973 CD GLU A 70 7.928 10.791 -7.724 1.00 0.00 C ATOM 974 OE1 GLU A 70 8.460 11.769 -7.225 1.00 0.00 O ATOM 975 OE2 GLU A 70 8.298 10.267 -8.762 1.00 0.00 O ATOM 0 H GLU A 70 4.498 10.457 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 70 6.783 9.244 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.276 9.495 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.021 8.309 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.164 9.542 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.044 10.971 -6.679 1.00 0.00 H new ATOM 982 N PRO A 71 6.918 11.631 -2.976 1.00 0.00 N ATOM 983 CA PRO A 71 7.229 13.006 -2.521 1.00 0.00 C ATOM 984 C PRO A 71 8.739 13.311 -2.615 1.00 0.00 C ATOM 985 O PRO A 71 9.532 12.473 -2.999 1.00 0.00 O ATOM 986 CB PRO A 71 6.779 12.999 -1.059 1.00 0.00 C ATOM 987 CG PRO A 71 6.788 11.519 -0.602 1.00 0.00 C ATOM 988 CD PRO A 71 6.746 10.658 -1.879 1.00 0.00 C ATOM 0 HA PRO A 71 6.739 13.766 -3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.450 13.599 -0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.783 13.430 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.682 11.300 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.930 11.306 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.539 9.910 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.801 10.121 -1.967 1.00 0.00 H new ATOM 996 N LYS A 72 9.133 14.515 -2.258 1.00 0.00 N ATOM 997 CA LYS A 72 10.583 14.900 -2.312 1.00 0.00 C ATOM 998 C LYS A 72 10.960 15.731 -1.074 1.00 0.00 C ATOM 999 O LYS A 72 11.803 16.600 -1.143 1.00 0.00 O ATOM 1000 CB LYS A 72 10.853 15.738 -3.560 1.00 0.00 C ATOM 1001 CG LYS A 72 9.586 16.495 -3.965 1.00 0.00 C ATOM 1002 CD LYS A 72 9.942 17.564 -4.998 1.00 0.00 C ATOM 1003 CE LYS A 72 9.923 16.948 -6.398 1.00 0.00 C ATOM 1004 NZ LYS A 72 10.774 17.764 -7.312 1.00 0.00 N ATOM 0 H LYS A 72 8.508 15.251 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 72 11.179 13.988 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.662 16.443 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.179 15.094 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.852 15.803 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.130 16.957 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.232 18.389 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.928 17.977 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.290 15.922 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.901 16.907 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.761 17.346 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.404 18.735 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.750 17.781 -6.954 1.00 0.00 H new ATOM 1018 N GLU A 73 10.353 15.483 0.059 1.00 0.00 N ATOM 1019 CA GLU A 73 10.705 16.266 1.271 1.00 0.00 C ATOM 1020 C GLU A 73 10.435 15.395 2.501 1.00 0.00 C ATOM 1021 O GLU A 73 10.503 14.187 2.438 1.00 0.00 O ATOM 1022 CB GLU A 73 9.846 17.536 1.309 1.00 0.00 C ATOM 1023 CG GLU A 73 8.367 17.153 1.420 1.00 0.00 C ATOM 1024 CD GLU A 73 7.501 18.395 1.202 1.00 0.00 C ATOM 1025 OE1 GLU A 73 7.379 18.815 0.064 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.977 18.907 2.178 1.00 0.00 O ATOM 0 H GLU A 73 9.632 14.774 0.192 1.00 0.00 H new ATOM 0 HA GLU A 73 11.756 16.555 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.136 18.158 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.012 18.127 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.121 16.391 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.164 16.723 2.401 1.00 0.00 H new ATOM 1033 N ALA A 74 10.102 15.989 3.607 1.00 0.00 N ATOM 1034 CA ALA A 74 9.791 15.184 4.823 1.00 0.00 C ATOM 1035 C ALA A 74 8.277 15.033 4.882 1.00 0.00 C ATOM 1036 O ALA A 74 7.550 16.002 4.781 1.00 0.00 O ATOM 1037 CB ALA A 74 10.312 15.901 6.067 1.00 0.00 C ATOM 0 H ALA A 74 10.030 17.000 3.726 1.00 0.00 H new ATOM 0 HA ALA A 74 10.269 14.205 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.082 15.308 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.391 16.030 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.835 16.878 6.151 1.00 0.00 H new ATOM 1043 N GLY A 75 7.780 13.832 4.975 1.00 0.00 N ATOM 1044 CA GLY A 75 6.303 13.676 4.959 1.00 0.00 C ATOM 1045 C GLY A 75 5.867 12.323 5.506 1.00 0.00 C ATOM 1046 O GLY A 75 6.621 11.373 5.552 1.00 0.00 O ATOM 0 H GLY A 75 8.319 12.970 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.848 14.470 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.937 13.790 3.938 1.00 0.00 H new ATOM 1050 N ASP A 76 4.629 12.238 5.888 1.00 0.00 N ATOM 1051 CA ASP A 76 4.073 10.964 6.401 1.00 0.00 C ATOM 1052 C ASP A 76 3.016 10.518 5.406 1.00 0.00 C ATOM 1053 O ASP A 76 2.490 11.312 4.651 1.00 0.00 O ATOM 1054 CB ASP A 76 3.435 11.191 7.773 1.00 0.00 C ATOM 1055 CG ASP A 76 2.532 12.424 7.717 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.585 12.404 6.948 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.803 13.367 8.443 1.00 0.00 O ATOM 0 H ASP A 76 3.967 13.013 5.866 1.00 0.00 H new ATOM 0 HA ASP A 76 4.852 10.210 6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.855 10.316 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.209 11.328 8.528 1.00 0.00 H new ATOM 1062 N TYR A 77 2.723 9.257 5.360 1.00 0.00 N ATOM 1063 CA TYR A 77 1.725 8.789 4.366 1.00 0.00 C ATOM 1064 C TYR A 77 0.496 8.248 5.051 1.00 0.00 C ATOM 1065 O TYR A 77 0.568 7.479 5.987 1.00 0.00 O ATOM 1066 CB TYR A 77 2.285 7.646 3.531 1.00 0.00 C ATOM 1067 CG TYR A 77 3.712 7.902 3.173 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.130 9.195 2.874 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.604 6.832 3.099 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.452 9.425 2.494 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.927 7.055 2.723 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.355 8.355 2.415 1.00 0.00 C ATOM 1073 OH TYR A 77 7.662 8.580 2.036 1.00 0.00 O ATOM 0 H TYR A 77 3.124 8.535 5.959 1.00 0.00 H new ATOM 0 HA TYR A 77 1.481 9.649 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.206 6.711 4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.693 7.528 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.433 10.018 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.270 5.832 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.780 10.427 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.621 6.229 2.669 1.00 0.00 H new ATOM 0 HH TYR A 77 7.960 7.857 1.445 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.632 8.594 4.531 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.892 8.053 5.072 1.00 0.00 C ATOM 1085 C VAL A 78 -2.467 7.180 3.976 1.00 0.00 C ATOM 1086 O VAL A 78 -2.520 7.576 2.814 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.855 9.173 5.430 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.782 10.264 4.367 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.277 8.612 5.511 1.00 0.00 C ATOM 0 H VAL A 78 -0.738 9.236 3.745 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.722 7.488 5.988 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.583 9.599 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.472 11.068 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.767 10.659 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.054 9.846 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.970 9.413 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.556 8.186 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.319 7.837 6.276 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.828 5.980 4.310 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.326 5.060 3.253 1.00 0.00 C ATOM 1101 C ILE A 79 -4.820 4.808 3.366 1.00 0.00 C ATOM 1102 O ILE A 79 -5.439 4.969 4.397 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.567 3.727 3.326 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.247 3.904 4.090 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.253 3.248 1.913 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.435 3.474 5.546 1.00 0.00 C ATOM 0 H ILE A 79 -2.802 5.597 5.255 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.148 5.540 2.291 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.189 2.998 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.462 3.309 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.927 4.945 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.714 2.302 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.183 3.109 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.638 3.991 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.497 3.600 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.207 4.088 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.735 2.427 5.580 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.388 4.405 2.276 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.831 4.097 2.227 1.00 0.00 C ATOM 1120 C ASN A 80 -7.041 2.981 1.200 1.00 0.00 C ATOM 1121 O ASN A 80 -6.813 3.158 0.022 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.601 5.337 1.803 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.002 6.575 2.474 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.190 6.788 3.656 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -6.286 7.406 1.767 1.00 0.00 N ATOM 0 H ASN A 80 -4.897 4.273 1.392 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.188 3.781 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.564 5.446 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.651 5.236 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.884 8.234 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.128 7.227 0.775 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.472 1.836 1.645 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.704 0.691 0.716 1.00 0.00 C ATOM 1134 C LEU A 81 -9.018 0.053 1.120 1.00 0.00 C ATOM 1135 O LEU A 81 -9.199 -0.327 2.253 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.566 -0.326 0.851 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.872 -1.643 0.121 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.493 -2.628 1.101 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.831 -1.425 -1.047 1.00 0.00 C ATOM 0 H LEU A 81 -7.677 1.640 2.625 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.737 1.028 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.648 0.104 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.388 -0.531 1.907 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.936 -2.037 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.712 -3.564 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.796 -2.817 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.416 -2.210 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.025 -2.377 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.768 -1.011 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.385 -0.731 -1.760 1.00 0.00 H new ATOM 1151 N THR A 82 -9.952 -0.020 0.230 1.00 0.00 N ATOM 1152 CA THR A 82 -11.278 -0.580 0.628 1.00 0.00 C ATOM 1153 C THR A 82 -11.821 -1.579 -0.393 1.00 0.00 C ATOM 1154 O THR A 82 -11.833 -1.336 -1.584 1.00 0.00 O ATOM 1155 CB THR A 82 -12.253 0.591 0.754 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.018 1.526 -0.292 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.040 1.285 2.096 1.00 0.00 C ATOM 0 H THR A 82 -9.868 0.276 -0.743 1.00 0.00 H new ATOM 0 HA THR A 82 -11.162 -1.118 1.569 1.00 0.00 H new ATOM 0 HB THR A 82 -13.274 0.216 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.339 1.170 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.734 2.120 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.217 0.576 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.017 1.656 2.156 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.311 -2.696 0.086 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.906 -3.713 -0.844 1.00 0.00 C ATOM 1167 C LEU A 83 -14.149 -4.322 -0.193 1.00 0.00 C ATOM 1168 O LEU A 83 -14.107 -5.430 0.289 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.892 -4.825 -1.156 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.393 -5.703 -2.326 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.447 -6.690 -1.816 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.025 -4.818 -3.406 1.00 0.00 C ATOM 0 H LEU A 83 -12.326 -2.949 1.074 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.176 -3.220 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.928 -4.385 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.737 -5.442 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.547 -6.248 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.798 -7.307 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.008 -7.327 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.287 -6.139 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.376 -5.442 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.866 -4.270 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.283 -4.112 -3.778 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.238 -3.585 -0.178 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.527 -4.059 0.431 1.00 0.00 C ATOM 1186 C ASP A 84 -17.202 -2.874 1.118 1.00 0.00 C ATOM 1187 O ASP A 84 -18.397 -2.859 1.333 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.320 -5.189 1.449 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.254 -6.536 0.723 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.628 -6.579 -0.439 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.833 -7.501 1.338 1.00 0.00 O ATOM 0 H ASP A 84 -15.288 -2.647 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.149 -4.461 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.400 -5.022 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.136 -5.194 2.171 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.427 -1.885 1.483 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.997 -0.703 2.179 1.00 0.00 C ATOM 1198 C GLY A 85 -16.165 -0.399 3.433 1.00 0.00 C ATOM 1199 O GLY A 85 -16.496 0.482 4.202 1.00 0.00 O ATOM 0 H GLY A 85 -15.420 -1.849 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.999 0.159 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.034 -0.895 2.455 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.082 -1.112 3.650 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.248 -0.839 4.851 1.00 0.00 C ATOM 1205 C ASP A 86 -12.785 -0.753 4.417 1.00 0.00 C ATOM 1206 O ASP A 86 -12.460 -0.990 3.271 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.415 -1.975 5.862 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.035 -1.429 7.149 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.960 -0.640 7.051 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -14.574 -1.812 8.213 1.00 0.00 O ATOM 0 H ASP A 86 -14.747 -1.864 3.048 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.557 0.098 5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.049 -2.757 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.448 -2.430 6.077 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.893 -0.424 5.309 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.465 -0.335 4.909 1.00 0.00 C ATOM 1217 C ASN A 87 -9.726 -1.579 5.398 1.00 0.00 C ATOM 1218 O ASN A 87 -10.088 -2.171 6.395 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.835 0.913 5.532 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.654 2.147 5.152 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.358 2.814 4.181 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -11.682 2.482 5.884 1.00 0.00 N ATOM 0 H ASN A 87 -12.090 -0.215 6.288 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.393 -0.271 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.796 0.810 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.808 1.025 5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.236 3.303 5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.931 1.922 6.700 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.691 -1.989 4.712 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.958 -3.199 5.170 1.00 0.00 C ATOM 1231 C VAL A 88 -7.269 -2.877 6.510 1.00 0.00 C ATOM 1232 O VAL A 88 -7.267 -1.745 6.951 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.945 -3.636 4.099 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.775 -4.393 4.737 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.653 -4.570 3.114 1.00 0.00 C ATOM 0 H VAL A 88 -8.328 -1.545 3.868 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.647 -4.030 5.322 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.559 -2.751 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.070 -4.693 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.271 -3.746 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.151 -5.279 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.949 -4.890 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.030 -5.443 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.485 -4.043 2.646 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.723 -3.862 7.183 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.086 -3.600 8.515 1.00 0.00 C ATOM 1247 C ASN A 89 -4.673 -3.021 8.372 1.00 0.00 C ATOM 1248 O ASN A 89 -3.861 -3.126 9.270 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.019 -4.905 9.310 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.958 -4.816 10.513 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -6.576 -4.337 11.564 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -8.180 -5.258 10.404 1.00 0.00 N ATOM 0 H ASN A 89 -6.690 -4.832 6.870 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.697 -2.864 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.302 -5.745 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.998 -5.088 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.815 -5.202 11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.500 -5.660 9.523 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.375 -2.399 7.274 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.016 -1.799 7.099 1.00 0.00 C ATOM 1261 C GLY A 90 -3.133 -0.523 6.262 1.00 0.00 C ATOM 1262 O GLY A 90 -2.170 -0.048 5.694 1.00 0.00 O ATOM 0 H GLY A 90 -5.009 -2.276 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.578 -1.572 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.352 -2.510 6.608 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.319 0.008 6.149 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.525 1.224 5.312 1.00 0.00 C ATOM 1268 C PHE A 91 -4.972 2.451 6.107 1.00 0.00 C ATOM 1269 O PHE A 91 -4.502 3.527 5.821 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.538 0.900 4.249 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.766 0.496 3.036 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.342 -0.821 2.890 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.452 1.448 2.074 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.606 -1.189 1.769 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.716 1.091 0.952 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.289 -0.232 0.793 1.00 0.00 C ATOM 0 H PHE A 91 -5.159 -0.350 6.603 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.562 1.490 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.198 0.096 4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.168 1.764 4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.584 -1.555 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.781 2.469 2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.278 -2.211 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.474 1.832 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.717 -0.516 -0.078 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.819 2.309 7.099 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.231 3.473 7.885 1.00 0.00 C ATOM 1288 C PRO A 92 -5.068 3.879 8.790 1.00 0.00 C ATOM 1289 O PRO A 92 -5.226 4.625 9.736 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.448 2.983 8.672 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.347 1.443 8.711 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.416 1.036 7.552 1.00 0.00 C ATOM 0 HA PRO A 92 -6.487 4.353 7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.452 3.398 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.374 3.300 8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.947 1.105 9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.330 0.987 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.651 0.334 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.970 0.548 6.750 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.886 3.395 8.483 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.698 3.741 9.283 1.00 0.00 C ATOM 1302 C LYS A 93 -1.914 4.812 8.544 1.00 0.00 C ATOM 1303 O LYS A 93 -2.192 5.142 7.396 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.835 2.489 9.460 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.888 2.677 10.648 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.941 1.437 11.543 1.00 0.00 C ATOM 1307 CE LYS A 93 0.452 1.154 12.111 1.00 0.00 C ATOM 1308 NZ LYS A 93 1.026 -0.053 11.450 1.00 0.00 N ATOM 0 H LYS A 93 -3.706 2.768 7.699 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.992 4.114 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.470 1.618 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.262 2.300 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.130 2.840 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.172 3.562 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.651 1.592 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.293 0.578 10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.103 2.013 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.392 0.997 13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.972 -0.244 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.409 -0.871 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.098 0.113 10.426 1.00 0.00 H new ATOM 1322 N THR A 94 -0.942 5.361 9.193 1.00 0.00 N ATOM 1323 CA THR A 94 -0.137 6.413 8.551 1.00 0.00 C ATOM 1324 C THR A 94 1.329 6.052 8.645 1.00 0.00 C ATOM 1325 O THR A 94 1.844 5.755 9.706 1.00 0.00 O ATOM 1326 CB THR A 94 -0.385 7.736 9.264 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.781 8.003 9.289 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.345 8.849 8.522 1.00 0.00 C ATOM 0 H THR A 94 -0.669 5.124 10.147 1.00 0.00 H new ATOM 0 HA THR A 94 -0.419 6.505 7.502 1.00 0.00 H new ATOM 0 HB THR A 94 -0.014 7.682 10.287 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.943 8.853 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.171 9.799 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.414 8.636 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.027 8.909 7.499 1.00 0.00 H new ATOM 1336 N VAL A 95 2.016 6.093 7.548 1.00 0.00 N ATOM 1337 CA VAL A 95 3.464 5.768 7.595 1.00 0.00 C ATOM 1338 C VAL A 95 4.236 7.087 7.644 1.00 0.00 C ATOM 1339 O VAL A 95 3.726 8.118 7.256 1.00 0.00 O ATOM 1340 CB VAL A 95 3.857 4.917 6.383 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.349 5.025 6.107 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.542 3.455 6.678 1.00 0.00 C ATOM 0 H VAL A 95 1.646 6.334 6.629 1.00 0.00 H new ATOM 0 HA VAL A 95 3.703 5.179 8.480 1.00 0.00 H new ATOM 0 HB VAL A 95 3.299 5.275 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.604 4.412 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.607 6.064 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.906 4.676 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.819 2.843 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.106 3.131 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.475 3.345 6.873 1.00 0.00 H new ATOM 1352 N THR A 96 5.428 7.092 8.174 1.00 0.00 N ATOM 1353 CA THR A 96 6.147 8.392 8.292 1.00 0.00 C ATOM 1354 C THR A 96 7.507 8.396 7.588 1.00 0.00 C ATOM 1355 O THR A 96 8.274 7.455 7.649 1.00 0.00 O ATOM 1356 CB THR A 96 6.360 8.705 9.775 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.098 8.839 10.414 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.143 10.011 9.914 1.00 0.00 C ATOM 0 H THR A 96 5.926 6.273 8.523 1.00 0.00 H new ATOM 0 HA THR A 96 5.529 9.146 7.804 1.00 0.00 H new ATOM 0 HB THR A 96 6.921 7.895 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.232 9.038 11.364 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.295 10.234 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.110 9.909 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.583 10.822 9.449 1.00 0.00 H new ATOM 1366 N VAL A 97 7.810 9.506 6.973 1.00 0.00 N ATOM 1367 CA VAL A 97 9.121 9.707 6.296 1.00 0.00 C ATOM 1368 C VAL A 97 9.703 11.019 6.826 1.00 0.00 C ATOM 1369 O VAL A 97 8.984 11.969 7.082 1.00 0.00 O ATOM 1370 CB VAL A 97 8.940 9.764 4.771 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.076 10.543 4.143 1.00 0.00 C ATOM 1372 CG2 VAL A 97 9.012 8.356 4.192 1.00 0.00 C ATOM 0 H VAL A 97 7.182 10.307 6.911 1.00 0.00 H new ATOM 0 HA VAL A 97 9.796 8.877 6.505 1.00 0.00 H new ATOM 0 HB VAL A 97 7.978 10.233 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.939 10.578 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.085 11.558 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.023 10.055 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.883 8.400 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.982 7.916 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.222 7.743 4.627 1.00 0.00 H new ATOM 1382 N LYS A 98 10.991 11.075 7.012 1.00 0.00 N ATOM 1383 CA LYS A 98 11.613 12.313 7.572 1.00 0.00 C ATOM 1384 C LYS A 98 12.105 13.202 6.421 1.00 0.00 C ATOM 1385 O LYS A 98 11.783 12.935 5.280 1.00 0.00 O ATOM 1386 CB LYS A 98 12.785 11.908 8.480 1.00 0.00 C ATOM 1387 CG LYS A 98 12.613 10.466 8.973 1.00 0.00 C ATOM 1388 CD LYS A 98 13.452 9.527 8.104 1.00 0.00 C ATOM 1389 CE LYS A 98 14.930 9.687 8.463 1.00 0.00 C ATOM 1390 NZ LYS A 98 15.175 9.127 9.822 1.00 0.00 N ATOM 0 H LYS A 98 11.643 10.319 6.802 1.00 0.00 H new ATOM 0 HA LYS A 98 10.883 12.874 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.724 12.002 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.842 12.585 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.922 10.387 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.563 10.178 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.139 8.494 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.296 9.753 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.551 9.173 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.210 10.740 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.172 8.843 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.959 9.849 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.565 8.298 9.971 1.00 0.00 H new ATOM 1404 N PRO A 99 12.840 14.254 6.730 1.00 0.00 N ATOM 1405 CA PRO A 99 13.316 15.181 5.694 1.00 0.00 C ATOM 1406 C PRO A 99 14.381 14.519 4.830 1.00 0.00 C ATOM 1407 O PRO A 99 15.564 14.591 5.097 1.00 0.00 O ATOM 1408 CB PRO A 99 13.850 16.381 6.480 1.00 0.00 C ATOM 1409 CG PRO A 99 14.141 15.872 7.906 1.00 0.00 C ATOM 1410 CD PRO A 99 13.290 14.603 8.100 1.00 0.00 C ATOM 0 HA PRO A 99 12.537 15.484 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.754 16.778 6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.120 17.190 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.201 15.651 8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.884 16.628 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.873 13.797 8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.444 14.788 8.762 1.00 0.00 H new ATOM 1418 N ALA A 100 13.938 13.875 3.788 1.00 0.00 N ATOM 1419 CA ALA A 100 14.863 13.181 2.855 1.00 0.00 C ATOM 1420 C ALA A 100 16.149 14.003 2.687 1.00 0.00 C ATOM 1421 O ALA A 100 16.184 14.942 1.917 1.00 0.00 O ATOM 1422 CB ALA A 100 14.163 13.036 1.505 1.00 0.00 C ATOM 0 H ALA A 100 12.952 13.800 3.540 1.00 0.00 H new ATOM 0 HA ALA A 100 15.126 12.200 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.826 12.528 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.251 12.453 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.913 14.023 1.117 1.00 0.00 H new TER 1428 ALA A 100