USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 159:sc= 0.0761 (180deg=-0.0445) USER MOD Set 2.1: A 53 GLN : amide:sc= -0.254 X(o=-1.3,f=-1.1) USER MOD Set 2.2: A 69 GLN : amide:sc= -1.01 K(o=-1.3,f=-2.7!) USER MOD Single : A 0 SER N :NH3+ 178:sc= -5.17! (180deg=-5.18!) USER MOD Single : A 0 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -98:sc= -0.0189 (180deg=-1.06) USER MOD Single : A 13 THR OG1 : rot 115:sc= 1 USER MOD Single : A 19 CYS SG : rot -77:sc= 0.835 USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= -0.77 (180deg=-1.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -5.01! (180deg=-6.36!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -63:sc= -6.62! USER MOD Single : A 37 SER OG : rot 120:sc= -0.442 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.103 (180deg=-0.732) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.119 (180deg=-0.711) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.648 (180deg=-1.05) USER MOD Single : A 56 SER OG : rot -127:sc= 1.6 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= -1.66! (180deg=-1.89!) USER MOD Single : A 70 ASN : amide:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 52:sc= -0.2 USER MOD Single : A 83 THR OG1 : rot 98:sc= -0.744 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc=-0.00766 (180deg=-1.07) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -0.336 (180deg=-1.44!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= 0.0262 (180deg=0) USER MOD Single : A 106 MET CE :methyl 174:sc= -5.57! (180deg=-6.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 1.310 -0.260 -0.643 1.00 12.44 N ATOM 2 CA SER A 0 2.752 -0.322 -0.479 1.00 63.12 C ATOM 3 C SER A 0 3.343 -1.360 -1.436 1.00 32.15 C ATOM 4 O SER A 0 2.606 -2.069 -2.120 1.00 44.42 O ATOM 5 CB SER A 0 3.129 -0.657 0.965 1.00 11.55 C ATOM 6 OG SER A 0 4.515 -0.444 1.219 1.00 61.13 O ATOM 0 H1 SER A 0 0.913 0.422 0.034 1.00 12.44 H new ATOM 0 H2 SER A 0 1.083 0.042 -1.612 1.00 12.44 H new ATOM 0 H3 SER A 0 0.900 -1.200 -0.468 1.00 12.44 H new ATOM 0 HA SER A 0 3.165 0.659 -0.715 1.00 63.12 H new ATOM 0 HB2 SER A 0 2.538 -0.044 1.645 1.00 11.55 H new ATOM 0 HB3 SER A 0 2.878 -1.697 1.173 1.00 11.55 H new ATOM 0 HG SER A 0 4.715 -0.668 2.152 1.00 61.13 H new ATOM 12 N MET A 1 4.666 -1.417 -1.452 1.00 24.20 N ATOM 13 CA MET A 1 5.364 -2.357 -2.313 1.00 43.21 C ATOM 14 C MET A 1 6.395 -3.164 -1.522 1.00 23.23 C ATOM 15 O MET A 1 7.380 -3.640 -2.084 1.00 25.22 O ATOM 16 CB MET A 1 6.067 -1.594 -3.438 1.00 1.23 C ATOM 17 CG MET A 1 6.723 -0.317 -2.908 1.00 14.14 C ATOM 18 SD MET A 1 8.124 -0.730 -1.882 1.00 34.42 S ATOM 19 CE MET A 1 9.450 -0.462 -3.046 1.00 31.20 C ATOM 0 H MET A 1 5.274 -0.828 -0.883 1.00 24.20 H new ATOM 0 HA MET A 1 4.633 -3.048 -2.732 1.00 43.21 H new ATOM 0 HB2 MET A 1 6.822 -2.231 -3.898 1.00 1.23 H new ATOM 0 HB3 MET A 1 5.347 -1.341 -4.216 1.00 1.23 H new ATOM 0 HG2 MET A 1 7.044 0.309 -3.741 1.00 14.14 H new ATOM 0 HG3 MET A 1 6.000 0.262 -2.334 1.00 14.14 H new ATOM 0 HE1 MET A 1 10.405 -0.676 -2.566 1.00 31.20 H new ATOM 0 HE2 MET A 1 9.320 -1.121 -3.904 1.00 31.20 H new ATOM 0 HE3 MET A 1 9.437 0.575 -3.380 1.00 31.20 H new ATOM 29 N ALA A 2 6.133 -3.294 -0.229 1.00 41.45 N ATOM 30 CA ALA A 2 7.026 -4.035 0.645 1.00 71.12 C ATOM 31 C ALA A 2 7.081 -5.495 0.191 1.00 61.15 C ATOM 32 O ALA A 2 8.163 -6.056 0.022 1.00 53.13 O ATOM 33 CB ALA A 2 6.556 -3.893 2.094 1.00 43.31 C ATOM 0 H ALA A 2 5.315 -2.898 0.234 1.00 41.45 H new ATOM 0 HA ALA A 2 8.038 -3.634 0.589 1.00 71.12 H new ATOM 0 HB1 ALA A 2 7.226 -4.449 2.750 1.00 43.31 H new ATOM 0 HB2 ALA A 2 6.562 -2.840 2.377 1.00 43.31 H new ATOM 0 HB3 ALA A 2 5.545 -4.288 2.189 1.00 43.31 H new ATOM 39 N PHE A 3 5.901 -6.069 0.006 1.00 43.14 N ATOM 40 CA PHE A 3 5.802 -7.453 -0.426 1.00 14.13 C ATOM 41 C PHE A 3 6.280 -7.613 -1.870 1.00 43.11 C ATOM 42 O PHE A 3 6.413 -8.732 -2.364 1.00 13.24 O ATOM 43 CB PHE A 3 4.324 -7.841 -0.345 1.00 31.22 C ATOM 44 CG PHE A 3 3.894 -8.371 1.025 1.00 51.22 C ATOM 45 CD1 PHE A 3 2.998 -7.673 1.773 1.00 1.31 C ATOM 46 CD2 PHE A 3 4.407 -9.539 1.494 1.00 64.52 C ATOM 47 CE1 PHE A 3 2.599 -8.164 3.044 1.00 20.11 C ATOM 48 CE2 PHE A 3 4.008 -10.031 2.765 1.00 43.11 C ATOM 49 CZ PHE A 3 3.113 -9.333 3.513 1.00 15.22 C ATOM 0 H PHE A 3 5.006 -5.601 0.147 1.00 43.14 H new ATOM 0 HA PHE A 3 6.425 -8.086 0.206 1.00 14.13 H new ATOM 0 HB2 PHE A 3 3.716 -6.971 -0.594 1.00 31.22 H new ATOM 0 HB3 PHE A 3 4.116 -8.601 -1.099 1.00 31.22 H new ATOM 0 HD1 PHE A 3 2.590 -6.745 1.400 1.00 1.31 H new ATOM 0 HD2 PHE A 3 5.118 -10.093 0.900 1.00 64.52 H new ATOM 0 HE1 PHE A 3 1.888 -7.610 3.638 1.00 20.11 H new ATOM 0 HE2 PHE A 3 4.415 -10.959 3.137 1.00 43.11 H new ATOM 0 HZ PHE A 3 2.810 -9.707 4.480 1.00 15.22 H new ATOM 59 N ALA A 4 6.527 -6.478 -2.507 1.00 51.33 N ATOM 60 CA ALA A 4 6.988 -6.478 -3.885 1.00 41.22 C ATOM 61 C ALA A 4 8.335 -7.198 -3.967 1.00 63.24 C ATOM 62 O ALA A 4 8.782 -7.565 -5.053 1.00 41.43 O ATOM 63 CB ALA A 4 7.064 -5.038 -4.398 1.00 63.42 C ATOM 0 H ALA A 4 6.417 -5.552 -2.094 1.00 51.33 H new ATOM 0 HA ALA A 4 6.287 -7.015 -4.524 1.00 41.22 H new ATOM 0 HB1 ALA A 4 7.410 -5.038 -5.432 1.00 63.42 H new ATOM 0 HB2 ALA A 4 6.076 -4.581 -4.346 1.00 63.42 H new ATOM 0 HB3 ALA A 4 7.760 -4.469 -3.782 1.00 63.42 H new ATOM 69 N SER A 5 8.945 -7.380 -2.805 1.00 41.23 N ATOM 70 CA SER A 5 10.232 -8.050 -2.732 1.00 43.11 C ATOM 71 C SER A 5 10.061 -9.449 -2.136 1.00 51.25 C ATOM 72 O SER A 5 10.722 -10.394 -2.563 1.00 71.32 O ATOM 73 CB SER A 5 11.229 -7.238 -1.903 1.00 23.33 C ATOM 74 OG SER A 5 11.753 -6.131 -2.631 1.00 14.32 O ATOM 0 H SER A 5 8.572 -7.075 -1.906 1.00 41.23 H new ATOM 0 HA SER A 5 10.629 -8.139 -3.743 1.00 43.11 H new ATOM 0 HB2 SER A 5 10.739 -6.878 -0.998 1.00 23.33 H new ATOM 0 HB3 SER A 5 12.048 -7.884 -1.586 1.00 23.33 H new ATOM 0 HG SER A 5 12.384 -5.637 -2.066 1.00 14.32 H new ATOM 80 N VAL A 6 9.170 -9.536 -1.160 1.00 21.04 N ATOM 81 CA VAL A 6 8.903 -10.803 -0.501 1.00 25.50 C ATOM 82 C VAL A 6 8.317 -11.787 -1.516 1.00 22.13 C ATOM 83 O VAL A 6 8.918 -12.821 -1.802 1.00 24.43 O ATOM 84 CB VAL A 6 7.996 -10.583 0.711 1.00 52.32 C ATOM 85 CG1 VAL A 6 7.706 -11.903 1.427 1.00 62.43 C ATOM 86 CG2 VAL A 6 8.604 -9.560 1.672 1.00 1.42 C ATOM 0 H VAL A 6 8.623 -8.749 -0.809 1.00 21.04 H new ATOM 0 HA VAL A 6 9.828 -11.238 -0.122 1.00 25.50 H new ATOM 0 HB VAL A 6 7.048 -10.183 0.351 1.00 52.32 H new ATOM 0 HG11 VAL A 6 7.059 -11.717 2.285 1.00 62.43 H new ATOM 0 HG12 VAL A 6 7.210 -12.588 0.740 1.00 62.43 H new ATOM 0 HG13 VAL A 6 8.642 -12.345 1.768 1.00 62.43 H new ATOM 0 HG21 VAL A 6 7.939 -9.422 2.525 1.00 1.42 H new ATOM 0 HG22 VAL A 6 9.572 -9.919 2.021 1.00 1.42 H new ATOM 0 HG23 VAL A 6 8.734 -8.609 1.156 1.00 1.42 H new ATOM 96 N LEU A 7 7.151 -11.430 -2.032 1.00 75.10 N ATOM 97 CA LEU A 7 6.476 -12.268 -3.009 1.00 23.43 C ATOM 98 C LEU A 7 6.462 -11.556 -4.363 1.00 21.03 C ATOM 99 O LEU A 7 7.030 -10.474 -4.505 1.00 21.30 O ATOM 100 CB LEU A 7 5.086 -12.663 -2.507 1.00 71.41 C ATOM 101 CG LEU A 7 5.016 -13.196 -1.074 1.00 41.13 C ATOM 102 CD1 LEU A 7 3.670 -12.860 -0.430 1.00 10.24 C ATOM 103 CD2 LEU A 7 5.313 -14.696 -1.032 1.00 23.11 C ATOM 0 H LEU A 7 6.656 -10.571 -1.792 1.00 75.10 H new ATOM 0 HA LEU A 7 7.017 -13.204 -3.147 1.00 23.43 H new ATOM 0 HB2 LEU A 7 4.434 -11.793 -2.582 1.00 71.41 H new ATOM 0 HB3 LEU A 7 4.682 -13.423 -3.176 1.00 71.41 H new ATOM 0 HG LEU A 7 5.787 -12.699 -0.486 1.00 41.13 H new ATOM 0 HD11 LEU A 7 3.646 -13.250 0.588 1.00 10.24 H new ATOM 0 HD12 LEU A 7 3.537 -11.778 -0.407 1.00 10.24 H new ATOM 0 HD13 LEU A 7 2.866 -13.312 -1.011 1.00 10.24 H new ATOM 0 HD21 LEU A 7 5.257 -15.049 -0.002 1.00 23.11 H new ATOM 0 HD22 LEU A 7 4.581 -15.229 -1.639 1.00 23.11 H new ATOM 0 HD23 LEU A 7 6.313 -14.880 -1.425 1.00 23.11 H new ATOM 115 N LYS A 8 5.807 -12.192 -5.323 1.00 11.40 N ATOM 116 CA LYS A 8 5.711 -11.632 -6.661 1.00 23.24 C ATOM 117 C LYS A 8 4.458 -10.760 -6.755 1.00 41.43 C ATOM 118 O LYS A 8 3.344 -11.245 -6.565 1.00 52.44 O ATOM 119 CB LYS A 8 5.768 -12.743 -7.711 1.00 41.12 C ATOM 120 CG LYS A 8 6.965 -13.665 -7.470 1.00 33.43 C ATOM 121 CD LYS A 8 8.149 -13.270 -8.354 1.00 2.34 C ATOM 122 CE LYS A 8 9.163 -12.435 -7.570 1.00 4.44 C ATOM 123 NZ LYS A 8 9.060 -11.007 -7.945 1.00 13.30 N ATOM 0 H LYS A 8 5.338 -13.089 -5.201 1.00 11.40 H new ATOM 0 HA LYS A 8 6.565 -10.986 -6.867 1.00 23.24 H new ATOM 0 HB2 LYS A 8 4.846 -13.323 -7.682 1.00 41.12 H new ATOM 0 HB3 LYS A 8 5.837 -12.304 -8.706 1.00 41.12 H new ATOM 0 HG2 LYS A 8 7.258 -13.619 -6.421 1.00 33.43 H new ATOM 0 HG3 LYS A 8 6.681 -14.697 -7.676 1.00 33.43 H new ATOM 0 HD2 LYS A 8 8.633 -14.166 -8.742 1.00 2.34 H new ATOM 0 HD3 LYS A 8 7.792 -12.703 -9.214 1.00 2.34 H new ATOM 0 HE2 LYS A 8 8.988 -12.550 -6.500 1.00 4.44 H new ATOM 0 HE3 LYS A 8 10.172 -12.797 -7.768 1.00 4.44 H new ATOM 0 HZ1 LYS A 8 9.792 -10.779 -8.648 1.00 13.30 H new ATOM 0 HZ2 LYS A 8 8.121 -10.822 -8.351 1.00 13.30 H new ATOM 0 HZ3 LYS A 8 9.195 -10.416 -7.100 1.00 13.30 H new ATOM 136 N ASP A 9 4.683 -9.487 -7.049 1.00 74.30 N ATOM 137 CA ASP A 9 3.585 -8.543 -7.171 1.00 44.53 C ATOM 138 C ASP A 9 2.555 -9.090 -8.161 1.00 40.42 C ATOM 139 O ASP A 9 1.389 -8.698 -8.129 1.00 44.12 O ATOM 140 CB ASP A 9 4.077 -7.193 -7.698 1.00 51.11 C ATOM 141 CG ASP A 9 2.972 -6.192 -8.043 1.00 2.04 C ATOM 142 OD1 ASP A 9 2.437 -6.191 -9.161 1.00 63.13 O ATOM 143 OD2 ASP A 9 2.660 -5.377 -7.093 1.00 14.21 O ATOM 0 H ASP A 9 5.609 -9.088 -7.206 1.00 74.30 H new ATOM 0 HA ASP A 9 3.145 -8.407 -6.183 1.00 44.53 H new ATOM 0 HB2 ASP A 9 4.732 -6.745 -6.951 1.00 51.11 H new ATOM 0 HB3 ASP A 9 4.681 -7.366 -8.589 1.00 51.11 H new ATOM 149 N ALA A 10 3.022 -9.986 -9.017 1.00 62.42 N ATOM 150 CA ALA A 10 2.156 -10.591 -10.015 1.00 33.23 C ATOM 151 C ALA A 10 1.315 -11.687 -9.356 1.00 52.14 C ATOM 152 O ALA A 10 0.155 -11.885 -9.716 1.00 43.21 O ATOM 153 CB ALA A 10 3.003 -11.123 -11.172 1.00 41.23 C ATOM 0 H ALA A 10 3.990 -10.308 -9.040 1.00 62.42 H new ATOM 0 HA ALA A 10 1.470 -9.851 -10.427 1.00 33.23 H new ATOM 0 HB1 ALA A 10 2.353 -11.577 -11.920 1.00 41.23 H new ATOM 0 HB2 ALA A 10 3.558 -10.301 -11.624 1.00 41.23 H new ATOM 0 HB3 ALA A 10 3.702 -11.871 -10.797 1.00 41.23 H new ATOM 159 N GLU A 11 1.932 -12.370 -8.404 1.00 20.12 N ATOM 160 CA GLU A 11 1.255 -13.441 -7.692 1.00 52.30 C ATOM 161 C GLU A 11 0.212 -12.864 -6.732 1.00 42.34 C ATOM 162 O GLU A 11 -0.985 -13.084 -6.906 1.00 34.14 O ATOM 163 CB GLU A 11 2.258 -14.323 -6.946 1.00 75.31 C ATOM 164 CG GLU A 11 2.999 -15.248 -7.913 1.00 65.11 C ATOM 165 CD GLU A 11 2.213 -16.539 -8.149 1.00 71.13 C ATOM 166 OE1 GLU A 11 1.492 -16.999 -7.251 1.00 50.13 O ATOM 167 OE2 GLU A 11 2.370 -17.067 -9.316 1.00 33.33 O ATOM 0 H GLU A 11 2.894 -12.203 -8.109 1.00 20.12 H new ATOM 0 HA GLU A 11 0.742 -14.068 -8.421 1.00 52.30 H new ATOM 0 HB2 GLU A 11 2.975 -13.696 -6.415 1.00 75.31 H new ATOM 0 HB3 GLU A 11 1.737 -14.917 -6.195 1.00 75.31 H new ATOM 0 HG2 GLU A 11 3.157 -14.736 -8.862 1.00 65.11 H new ATOM 0 HG3 GLU A 11 3.984 -15.486 -7.511 1.00 65.11 H new ATOM 175 N VAL A 12 0.706 -12.136 -5.741 1.00 54.12 N ATOM 176 CA VAL A 12 -0.168 -11.526 -4.754 1.00 15.41 C ATOM 177 C VAL A 12 -1.320 -10.815 -5.468 1.00 60.22 C ATOM 178 O VAL A 12 -2.451 -10.819 -4.985 1.00 52.41 O ATOM 179 CB VAL A 12 0.637 -10.594 -3.846 1.00 64.12 C ATOM 180 CG1 VAL A 12 1.927 -11.269 -3.374 1.00 51.13 C ATOM 181 CG2 VAL A 12 0.937 -9.269 -4.549 1.00 5.52 C ATOM 0 H VAL A 12 1.700 -11.955 -5.601 1.00 54.12 H new ATOM 0 HA VAL A 12 -0.605 -12.288 -4.110 1.00 15.41 H new ATOM 0 HB VAL A 12 0.031 -10.377 -2.966 1.00 64.12 H new ATOM 0 HG11 VAL A 12 2.481 -10.586 -2.730 1.00 51.13 H new ATOM 0 HG12 VAL A 12 1.682 -12.173 -2.817 1.00 51.13 H new ATOM 0 HG13 VAL A 12 2.539 -11.529 -4.238 1.00 51.13 H new ATOM 0 HG21 VAL A 12 1.510 -8.625 -3.882 1.00 5.52 H new ATOM 0 HG22 VAL A 12 1.514 -9.460 -5.454 1.00 5.52 H new ATOM 0 HG23 VAL A 12 0.001 -8.777 -4.813 1.00 5.52 H new ATOM 191 N THR A 13 -0.992 -10.223 -6.607 1.00 71.11 N ATOM 192 CA THR A 13 -1.985 -9.510 -7.393 1.00 21.11 C ATOM 193 C THR A 13 -3.257 -10.349 -7.532 1.00 50.44 C ATOM 194 O THR A 13 -4.349 -9.885 -7.209 1.00 13.52 O ATOM 195 CB THR A 13 -1.350 -9.142 -8.735 1.00 41.51 C ATOM 196 OG1 THR A 13 -0.818 -7.837 -8.521 1.00 11.01 O ATOM 197 CG2 THR A 13 -2.390 -8.943 -9.840 1.00 65.30 C ATOM 0 H THR A 13 -0.053 -10.222 -7.004 1.00 71.11 H new ATOM 0 HA THR A 13 -2.293 -8.588 -6.900 1.00 21.11 H new ATOM 0 HB THR A 13 -0.650 -9.923 -9.031 1.00 41.51 H new ATOM 0 HG1 THR A 13 0.159 -7.866 -8.595 1.00 11.01 H new ATOM 0 HG21 THR A 13 -1.886 -8.683 -10.771 1.00 65.30 H new ATOM 0 HG22 THR A 13 -2.955 -9.865 -9.978 1.00 65.30 H new ATOM 0 HG23 THR A 13 -3.070 -8.139 -9.559 1.00 65.30 H new ATOM 205 N ALA A 14 -3.073 -11.569 -8.015 1.00 12.15 N ATOM 206 CA ALA A 14 -4.193 -12.476 -8.201 1.00 24.41 C ATOM 207 C ALA A 14 -4.892 -12.699 -6.858 1.00 62.34 C ATOM 208 O ALA A 14 -6.091 -12.968 -6.816 1.00 73.23 O ATOM 209 CB ALA A 14 -3.693 -13.782 -8.822 1.00 31.40 C ATOM 0 H ALA A 14 -2.166 -11.950 -8.283 1.00 12.15 H new ATOM 0 HA ALA A 14 -4.925 -12.048 -8.886 1.00 24.41 H new ATOM 0 HB1 ALA A 14 -4.532 -14.463 -8.962 1.00 31.40 H new ATOM 0 HB2 ALA A 14 -3.231 -13.573 -9.787 1.00 31.40 H new ATOM 0 HB3 ALA A 14 -2.959 -14.242 -8.160 1.00 31.40 H new ATOM 215 N ALA A 15 -4.112 -12.579 -5.794 1.00 61.11 N ATOM 216 CA ALA A 15 -4.641 -12.764 -4.454 1.00 33.14 C ATOM 217 C ALA A 15 -5.443 -11.525 -4.051 1.00 51.31 C ATOM 218 O ALA A 15 -6.297 -11.593 -3.168 1.00 62.02 O ATOM 219 CB ALA A 15 -3.492 -13.054 -3.486 1.00 70.43 C ATOM 0 H ALA A 15 -3.117 -12.356 -5.833 1.00 61.11 H new ATOM 0 HA ALA A 15 -5.317 -13.619 -4.424 1.00 33.14 H new ATOM 0 HB1 ALA A 15 -3.890 -13.193 -2.481 1.00 70.43 H new ATOM 0 HB2 ALA A 15 -2.972 -13.960 -3.799 1.00 70.43 H new ATOM 0 HB3 ALA A 15 -2.794 -12.216 -3.488 1.00 70.43 H new ATOM 225 N LEU A 16 -5.140 -10.421 -4.718 1.00 40.21 N ATOM 226 CA LEU A 16 -5.822 -9.168 -4.441 1.00 2.10 C ATOM 227 C LEU A 16 -7.148 -9.134 -5.203 1.00 61.55 C ATOM 228 O LEU A 16 -8.169 -8.713 -4.662 1.00 42.02 O ATOM 229 CB LEU A 16 -4.906 -7.981 -4.747 1.00 15.32 C ATOM 230 CG LEU A 16 -3.938 -7.576 -3.634 1.00 22.45 C ATOM 231 CD1 LEU A 16 -2.648 -6.994 -4.214 1.00 41.40 C ATOM 232 CD2 LEU A 16 -4.607 -6.618 -2.646 1.00 45.33 C ATOM 0 H LEU A 16 -4.431 -10.368 -5.450 1.00 40.21 H new ATOM 0 HA LEU A 16 -6.062 -9.091 -3.381 1.00 2.10 H new ATOM 0 HB2 LEU A 16 -4.325 -8.216 -5.639 1.00 15.32 H new ATOM 0 HB3 LEU A 16 -5.529 -7.120 -4.991 1.00 15.32 H new ATOM 0 HG LEU A 16 -3.664 -8.472 -3.077 1.00 22.45 H new ATOM 0 HD11 LEU A 16 -1.977 -6.714 -3.401 1.00 41.40 H new ATOM 0 HD12 LEU A 16 -2.163 -7.740 -4.844 1.00 41.40 H new ATOM 0 HD13 LEU A 16 -2.883 -6.112 -4.811 1.00 41.40 H new ATOM 0 HD21 LEU A 16 -3.897 -6.346 -1.865 1.00 45.33 H new ATOM 0 HD22 LEU A 16 -4.929 -5.719 -3.172 1.00 45.33 H new ATOM 0 HD23 LEU A 16 -5.472 -7.105 -2.196 1.00 45.33 H new ATOM 244 N ASP A 17 -7.089 -9.584 -6.448 1.00 74.33 N ATOM 245 CA ASP A 17 -8.273 -9.611 -7.291 1.00 31.23 C ATOM 246 C ASP A 17 -9.167 -10.780 -6.870 1.00 2.40 C ATOM 247 O ASP A 17 -10.340 -10.832 -7.237 1.00 65.43 O ATOM 248 CB ASP A 17 -7.898 -9.808 -8.761 1.00 34.11 C ATOM 249 CG ASP A 17 -8.876 -9.194 -9.765 1.00 62.12 C ATOM 250 OD1 ASP A 17 -8.904 -7.970 -9.962 1.00 34.20 O ATOM 251 OD2 ASP A 17 -9.641 -10.040 -10.368 1.00 14.33 O ATOM 0 H ASP A 17 -6.240 -9.933 -6.893 1.00 74.33 H new ATOM 0 HA ASP A 17 -8.791 -8.659 -7.176 1.00 31.23 H new ATOM 0 HB2 ASP A 17 -6.910 -9.379 -8.929 1.00 34.11 H new ATOM 0 HB3 ASP A 17 -7.819 -10.877 -8.960 1.00 34.11 H new ATOM 257 N GLY A 18 -8.578 -11.687 -6.105 1.00 73.53 N ATOM 258 CA GLY A 18 -9.307 -12.852 -5.631 1.00 4.24 C ATOM 259 C GLY A 18 -10.190 -12.495 -4.433 1.00 73.35 C ATOM 260 O GLY A 18 -10.944 -13.334 -3.942 1.00 72.03 O ATOM 0 H GLY A 18 -7.605 -11.639 -5.802 1.00 73.53 H new ATOM 0 HA2 GLY A 18 -9.924 -13.252 -6.436 1.00 4.24 H new ATOM 0 HA3 GLY A 18 -8.604 -13.636 -5.349 1.00 4.24 H new ATOM 264 N CYS A 19 -10.068 -11.250 -3.998 1.00 50.14 N ATOM 265 CA CYS A 19 -10.846 -10.772 -2.868 1.00 73.12 C ATOM 266 C CYS A 19 -11.396 -9.387 -3.215 1.00 34.22 C ATOM 267 O CYS A 19 -11.666 -8.582 -2.325 1.00 31.00 O ATOM 268 CB CYS A 19 -10.020 -10.752 -1.581 1.00 31.24 C ATOM 269 SG CYS A 19 -8.338 -10.119 -1.926 1.00 14.22 S ATOM 0 H CYS A 19 -9.442 -10.557 -4.408 1.00 50.14 H new ATOM 0 HA CYS A 19 -11.675 -11.454 -2.679 1.00 73.12 H new ATOM 0 HB2 CYS A 19 -10.508 -10.124 -0.836 1.00 31.24 H new ATOM 0 HB3 CYS A 19 -9.961 -11.756 -1.162 1.00 31.24 H new ATOM 0 HG CYS A 19 -7.629 -11.053 -2.487 1.00 14.22 H new ATOM 275 N LYS A 20 -11.546 -9.152 -4.510 1.00 74.41 N ATOM 276 CA LYS A 20 -12.060 -7.879 -4.985 1.00 45.33 C ATOM 277 C LYS A 20 -13.579 -7.849 -4.811 1.00 73.13 C ATOM 278 O LYS A 20 -14.194 -6.785 -4.871 1.00 21.31 O ATOM 279 CB LYS A 20 -11.600 -7.618 -6.421 1.00 43.20 C ATOM 280 CG LYS A 20 -10.292 -6.824 -6.442 1.00 62.12 C ATOM 281 CD LYS A 20 -10.500 -5.409 -5.898 1.00 72.33 C ATOM 282 CE LYS A 20 -11.792 -4.797 -6.444 1.00 21.15 C ATOM 283 NZ LYS A 20 -11.823 -4.884 -7.921 1.00 35.13 N ATOM 0 H LYS A 20 -11.320 -9.822 -5.245 1.00 74.41 H new ATOM 0 HA LYS A 20 -11.655 -7.060 -4.391 1.00 45.33 H new ATOM 0 HB2 LYS A 20 -11.462 -8.566 -6.941 1.00 43.20 H new ATOM 0 HB3 LYS A 20 -12.372 -7.068 -6.960 1.00 43.20 H new ATOM 0 HG2 LYS A 20 -9.540 -7.340 -5.845 1.00 62.12 H new ATOM 0 HG3 LYS A 20 -9.910 -6.773 -7.462 1.00 62.12 H new ATOM 0 HD2 LYS A 20 -10.538 -5.436 -4.809 1.00 72.33 H new ATOM 0 HD3 LYS A 20 -9.652 -4.782 -6.172 1.00 72.33 H new ATOM 0 HE2 LYS A 20 -12.653 -5.317 -6.025 1.00 21.15 H new ATOM 0 HE3 LYS A 20 -11.867 -3.755 -6.134 1.00 21.15 H new ATOM 0 HZ1 LYS A 20 -12.122 -3.970 -8.316 1.00 35.13 H new ATOM 0 HZ2 LYS A 20 -10.874 -5.120 -8.275 1.00 35.13 H new ATOM 0 HZ3 LYS A 20 -12.494 -5.623 -8.211 1.00 35.13 H new ATOM 296 N ALA A 21 -14.142 -9.030 -4.600 1.00 3.13 N ATOM 297 CA ALA A 21 -15.578 -9.153 -4.417 1.00 1.23 C ATOM 298 C ALA A 21 -15.901 -9.130 -2.921 1.00 41.13 C ATOM 299 O ALA A 21 -15.452 -9.997 -2.172 1.00 54.54 O ATOM 300 CB ALA A 21 -16.073 -10.429 -5.101 1.00 4.14 C ATOM 0 H ALA A 21 -13.629 -9.910 -4.552 1.00 3.13 H new ATOM 0 HA ALA A 21 -16.097 -8.313 -4.879 1.00 1.23 H new ATOM 0 HB1 ALA A 21 -17.150 -10.521 -4.964 1.00 4.14 H new ATOM 0 HB2 ALA A 21 -15.846 -10.383 -6.166 1.00 4.14 H new ATOM 0 HB3 ALA A 21 -15.576 -11.294 -4.661 1.00 4.14 H new ATOM 306 N ALA A 22 -16.677 -8.129 -2.531 1.00 64.23 N ATOM 307 CA ALA A 22 -17.065 -7.982 -1.139 1.00 21.12 C ATOM 308 C ALA A 22 -17.649 -9.303 -0.634 1.00 61.24 C ATOM 309 O ALA A 22 -18.201 -10.080 -1.413 1.00 5.42 O ATOM 310 CB ALA A 22 -18.050 -6.820 -1.004 1.00 13.55 C ATOM 0 H ALA A 22 -17.047 -7.412 -3.155 1.00 64.23 H new ATOM 0 HA ALA A 22 -16.198 -7.748 -0.522 1.00 21.12 H new ATOM 0 HB1 ALA A 22 -18.341 -6.709 0.041 1.00 13.55 H new ATOM 0 HB2 ALA A 22 -17.577 -5.900 -1.348 1.00 13.55 H new ATOM 0 HB3 ALA A 22 -18.935 -7.021 -1.608 1.00 13.55 H new ATOM 316 N GLY A 23 -17.508 -9.518 0.665 1.00 3.24 N ATOM 317 CA GLY A 23 -18.014 -10.732 1.283 1.00 54.41 C ATOM 318 C GLY A 23 -17.581 -11.970 0.495 1.00 55.40 C ATOM 319 O GLY A 23 -18.215 -13.020 0.585 1.00 21.12 O ATOM 0 H GLY A 23 -17.050 -8.872 1.308 1.00 3.24 H new ATOM 0 HA2 GLY A 23 -17.648 -10.802 2.307 1.00 54.41 H new ATOM 0 HA3 GLY A 23 -19.102 -10.692 1.335 1.00 54.41 H new ATOM 323 N SER A 24 -16.505 -11.805 -0.260 1.00 12.21 N ATOM 324 CA SER A 24 -15.980 -12.896 -1.063 1.00 52.12 C ATOM 325 C SER A 24 -14.489 -13.086 -0.777 1.00 52.23 C ATOM 326 O SER A 24 -13.794 -13.777 -1.520 1.00 71.12 O ATOM 327 CB SER A 24 -16.206 -12.640 -2.555 1.00 33.24 C ATOM 328 OG SER A 24 -16.404 -13.851 -3.280 1.00 12.12 O ATOM 0 H SER A 24 -15.982 -10.932 -0.333 1.00 12.21 H new ATOM 0 HA SER A 24 -16.514 -13.807 -0.793 1.00 52.12 H new ATOM 0 HB2 SER A 24 -17.074 -11.994 -2.685 1.00 33.24 H new ATOM 0 HB3 SER A 24 -15.348 -12.108 -2.966 1.00 33.24 H new ATOM 0 HG SER A 24 -16.546 -13.645 -4.228 1.00 12.12 H new ATOM 334 N PHE A 25 -14.042 -12.460 0.301 1.00 2.32 N ATOM 335 CA PHE A 25 -12.646 -12.551 0.695 1.00 41.05 C ATOM 336 C PHE A 25 -12.430 -13.695 1.688 1.00 43.34 C ATOM 337 O PHE A 25 -13.262 -13.927 2.563 1.00 2.23 O ATOM 338 CB PHE A 25 -12.285 -11.228 1.372 1.00 2.33 C ATOM 339 CG PHE A 25 -11.090 -11.321 2.323 1.00 23.51 C ATOM 340 CD1 PHE A 25 -9.826 -11.176 1.843 1.00 44.41 C ATOM 341 CD2 PHE A 25 -11.291 -11.551 3.648 1.00 14.34 C ATOM 342 CE1 PHE A 25 -8.717 -11.263 2.725 1.00 4.32 C ATOM 343 CE2 PHE A 25 -10.182 -11.638 4.531 1.00 52.22 C ATOM 344 CZ PHE A 25 -8.918 -11.492 4.051 1.00 52.15 C ATOM 0 H PHE A 25 -14.622 -11.887 0.914 1.00 2.32 H new ATOM 0 HA PHE A 25 -12.024 -12.743 -0.180 1.00 41.05 H new ATOM 0 HB2 PHE A 25 -12.068 -10.486 0.604 1.00 2.33 H new ATOM 0 HB3 PHE A 25 -13.151 -10.868 1.927 1.00 2.33 H new ATOM 0 HD1 PHE A 25 -9.666 -10.995 0.790 1.00 44.41 H new ATOM 0 HD2 PHE A 25 -12.295 -11.668 4.029 1.00 14.34 H new ATOM 0 HE1 PHE A 25 -7.713 -11.147 2.343 1.00 4.32 H new ATOM 0 HE2 PHE A 25 -10.342 -11.820 5.583 1.00 52.22 H new ATOM 0 HZ PHE A 25 -8.074 -11.558 4.722 1.00 52.15 H new ATOM 354 N ASP A 26 -11.308 -14.379 1.518 1.00 40.00 N ATOM 355 CA ASP A 26 -10.972 -15.493 2.388 1.00 1.24 C ATOM 356 C ASP A 26 -9.505 -15.381 2.809 1.00 61.43 C ATOM 357 O ASP A 26 -8.614 -15.830 2.090 1.00 63.44 O ATOM 358 CB ASP A 26 -11.157 -16.830 1.668 1.00 11.14 C ATOM 359 CG ASP A 26 -12.538 -17.468 1.834 1.00 40.31 C ATOM 360 OD1 ASP A 26 -13.572 -16.794 1.709 1.00 64.22 O ATOM 361 OD2 ASP A 26 -12.527 -18.729 2.106 1.00 10.55 O ATOM 0 H ASP A 26 -10.620 -14.183 0.791 1.00 40.00 H new ATOM 0 HA ASP A 26 -11.633 -15.456 3.254 1.00 1.24 H new ATOM 0 HB2 ASP A 26 -10.967 -16.682 0.605 1.00 11.14 H new ATOM 0 HB3 ASP A 26 -10.404 -17.529 2.032 1.00 11.14 H new ATOM 367 N HIS A 27 -9.300 -14.780 3.972 1.00 63.55 N ATOM 368 CA HIS A 27 -7.956 -14.604 4.496 1.00 32.31 C ATOM 369 C HIS A 27 -7.129 -15.862 4.221 1.00 0.31 C ATOM 370 O HIS A 27 -6.134 -15.809 3.500 1.00 23.22 O ATOM 371 CB HIS A 27 -7.997 -14.234 5.980 1.00 3.00 C ATOM 372 CG HIS A 27 -8.921 -15.099 6.804 1.00 41.32 C ATOM 373 ND1 HIS A 27 -10.276 -14.846 6.922 1.00 35.32 N ATOM 374 CD2 HIS A 27 -8.671 -16.215 7.547 1.00 4.30 C ATOM 375 CE1 HIS A 27 -10.808 -15.774 7.705 1.00 61.15 C ATOM 376 NE2 HIS A 27 -9.811 -16.621 8.091 1.00 0.11 N ATOM 0 H HIS A 27 -10.042 -14.409 4.566 1.00 63.55 H new ATOM 0 HA HIS A 27 -7.469 -13.773 3.987 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -6.989 -14.304 6.389 1.00 3.00 H new ATOM 0 HB3 HIS A 27 -8.308 -13.194 6.076 1.00 3.00 H new ATOM 0 HD2 HIS A 27 -7.708 -16.688 7.671 1.00 4.30 H new ATOM 0 HE1 HIS A 27 -11.848 -15.847 7.988 1.00 61.15 H new ATOM 0 HE2 HIS A 27 -9.923 -17.433 8.698 1.00 0.11 H new ATOM 384 N LYS A 28 -7.572 -16.963 4.810 1.00 4.23 N ATOM 385 CA LYS A 28 -6.885 -18.232 4.638 1.00 43.40 C ATOM 386 C LYS A 28 -6.485 -18.395 3.170 1.00 1.02 C ATOM 387 O LYS A 28 -5.312 -18.599 2.862 1.00 62.23 O ATOM 388 CB LYS A 28 -7.740 -19.381 5.174 1.00 74.21 C ATOM 389 CG LYS A 28 -7.471 -19.618 6.661 1.00 13.13 C ATOM 390 CD LYS A 28 -6.337 -20.626 6.860 1.00 52.43 C ATOM 391 CE LYS A 28 -6.630 -21.933 6.121 1.00 31.13 C ATOM 392 NZ LYS A 28 -5.940 -23.065 6.779 1.00 61.44 N ATOM 0 H LYS A 28 -8.398 -17.003 5.407 1.00 4.23 H new ATOM 0 HA LYS A 28 -5.966 -18.250 5.223 1.00 43.40 H new ATOM 0 HB2 LYS A 28 -8.795 -19.154 5.023 1.00 74.21 H new ATOM 0 HB3 LYS A 28 -7.526 -20.291 4.613 1.00 74.21 H new ATOM 0 HG2 LYS A 28 -7.212 -18.675 7.142 1.00 13.13 H new ATOM 0 HG3 LYS A 28 -8.377 -19.984 7.144 1.00 13.13 H new ATOM 0 HD2 LYS A 28 -5.401 -20.201 6.498 1.00 52.43 H new ATOM 0 HD3 LYS A 28 -6.206 -20.827 7.923 1.00 52.43 H new ATOM 0 HE2 LYS A 28 -7.705 -22.115 6.103 1.00 31.13 H new ATOM 0 HE3 LYS A 28 -6.303 -21.853 5.084 1.00 31.13 H new ATOM 0 HZ1 LYS A 28 -6.149 -23.945 6.265 1.00 61.44 H new ATOM 0 HZ2 LYS A 28 -4.914 -22.896 6.774 1.00 61.44 H new ATOM 0 HZ3 LYS A 28 -6.272 -23.150 7.761 1.00 61.44 H new ATOM 405 N LYS A 29 -7.483 -18.299 2.304 1.00 2.20 N ATOM 406 CA LYS A 29 -7.250 -18.433 0.876 1.00 20.41 C ATOM 407 C LYS A 29 -6.083 -17.533 0.467 1.00 41.40 C ATOM 408 O LYS A 29 -5.096 -18.006 -0.095 1.00 11.34 O ATOM 409 CB LYS A 29 -8.538 -18.164 0.095 1.00 1.24 C ATOM 410 CG LYS A 29 -9.432 -19.405 0.068 1.00 15.21 C ATOM 411 CD LYS A 29 -9.121 -20.279 -1.148 1.00 44.23 C ATOM 412 CE LYS A 29 -7.805 -21.035 -0.957 1.00 24.30 C ATOM 413 NZ LYS A 29 -6.668 -20.234 -1.463 1.00 2.20 N ATOM 0 H LYS A 29 -8.455 -18.130 2.564 1.00 2.20 H new ATOM 0 HA LYS A 29 -6.964 -19.456 0.631 1.00 20.41 H new ATOM 0 HB2 LYS A 29 -9.077 -17.333 0.550 1.00 1.24 H new ATOM 0 HB3 LYS A 29 -8.294 -17.865 -0.924 1.00 1.24 H new ATOM 0 HG2 LYS A 29 -9.287 -19.982 0.981 1.00 15.21 H new ATOM 0 HG3 LYS A 29 -10.479 -19.103 0.045 1.00 15.21 H new ATOM 0 HD2 LYS A 29 -9.933 -20.989 -1.307 1.00 44.23 H new ATOM 0 HD3 LYS A 29 -9.061 -19.657 -2.041 1.00 44.23 H new ATOM 0 HE2 LYS A 29 -7.658 -21.259 0.099 1.00 24.30 H new ATOM 0 HE3 LYS A 29 -7.847 -21.989 -1.482 1.00 24.30 H new ATOM 0 HZ1 LYS A 29 -6.048 -20.837 -2.040 1.00 2.20 H new ATOM 0 HZ2 LYS A 29 -7.027 -19.450 -2.044 1.00 2.20 H new ATOM 0 HZ3 LYS A 29 -6.129 -19.851 -0.660 1.00 2.20 H new ATOM 426 N PHE A 30 -6.234 -16.250 0.764 1.00 33.43 N ATOM 427 CA PHE A 30 -5.205 -15.279 0.434 1.00 32.05 C ATOM 428 C PHE A 30 -3.810 -15.841 0.716 1.00 72.10 C ATOM 429 O PHE A 30 -3.007 -16.006 -0.201 1.00 31.51 O ATOM 430 CB PHE A 30 -5.440 -14.058 1.327 1.00 62.54 C ATOM 431 CG PHE A 30 -4.905 -12.749 0.743 1.00 74.02 C ATOM 432 CD1 PHE A 30 -5.766 -11.746 0.422 1.00 73.32 C ATOM 433 CD2 PHE A 30 -3.570 -12.588 0.545 1.00 44.12 C ATOM 434 CE1 PHE A 30 -5.270 -10.531 -0.120 1.00 73.11 C ATOM 435 CE2 PHE A 30 -3.074 -11.373 0.003 1.00 44.32 C ATOM 436 CZ PHE A 30 -3.934 -10.370 -0.318 1.00 55.12 C ATOM 0 H PHE A 30 -7.054 -15.861 1.230 1.00 33.43 H new ATOM 0 HA PHE A 30 -5.258 -15.026 -0.625 1.00 32.05 H new ATOM 0 HB2 PHE A 30 -6.510 -13.953 1.508 1.00 62.54 H new ATOM 0 HB3 PHE A 30 -4.969 -14.232 2.294 1.00 62.54 H new ATOM 0 HD1 PHE A 30 -6.827 -11.874 0.579 1.00 73.32 H new ATOM 0 HD2 PHE A 30 -2.886 -13.384 0.800 1.00 44.12 H new ATOM 0 HE1 PHE A 30 -5.954 -9.735 -0.375 1.00 73.11 H new ATOM 0 HE2 PHE A 30 -2.013 -11.245 -0.154 1.00 44.32 H new ATOM 0 HZ PHE A 30 -3.556 -9.446 -0.730 1.00 55.12 H new ATOM 446 N PHE A 31 -3.565 -16.119 1.988 1.00 62.31 N ATOM 447 CA PHE A 31 -2.281 -16.659 2.402 1.00 61.34 C ATOM 448 C PHE A 31 -1.971 -17.964 1.664 1.00 14.24 C ATOM 449 O PHE A 31 -0.808 -18.285 1.424 1.00 14.45 O ATOM 450 CB PHE A 31 -2.378 -16.946 3.901 1.00 15.33 C ATOM 451 CG PHE A 31 -2.638 -15.704 4.756 1.00 11.24 C ATOM 452 CD1 PHE A 31 -3.806 -15.583 5.444 1.00 65.24 C ATOM 453 CD2 PHE A 31 -1.701 -14.720 4.829 1.00 34.43 C ATOM 454 CE1 PHE A 31 -4.046 -14.431 6.237 1.00 14.51 C ATOM 455 CE2 PHE A 31 -1.942 -13.568 5.623 1.00 54.32 C ATOM 456 CZ PHE A 31 -3.110 -13.447 6.310 1.00 62.10 C ATOM 0 H PHE A 31 -4.234 -15.980 2.746 1.00 62.31 H new ATOM 0 HA PHE A 31 -1.488 -15.947 2.175 1.00 61.34 H new ATOM 0 HB2 PHE A 31 -3.178 -17.666 4.072 1.00 15.33 H new ATOM 0 HB3 PHE A 31 -1.451 -17.415 4.232 1.00 15.33 H new ATOM 0 HD1 PHE A 31 -4.550 -16.364 5.386 1.00 65.24 H new ATOM 0 HD2 PHE A 31 -0.774 -14.815 4.283 1.00 34.43 H new ATOM 0 HE1 PHE A 31 -4.973 -14.336 6.783 1.00 14.51 H new ATOM 0 HE2 PHE A 31 -1.198 -12.787 5.682 1.00 54.32 H new ATOM 0 HZ PHE A 31 -3.294 -12.570 6.913 1.00 62.10 H new ATOM 466 N LYS A 32 -3.033 -18.681 1.326 1.00 42.24 N ATOM 467 CA LYS A 32 -2.889 -19.943 0.621 1.00 71.24 C ATOM 468 C LYS A 32 -2.593 -19.668 -0.855 1.00 2.51 C ATOM 469 O LYS A 32 -2.126 -20.550 -1.573 1.00 42.14 O ATOM 470 CB LYS A 32 -4.118 -20.826 0.847 1.00 72.05 C ATOM 471 CG LYS A 32 -3.766 -22.307 0.691 1.00 42.23 C ATOM 472 CD LYS A 32 -5.010 -23.135 0.363 1.00 0.14 C ATOM 473 CE LYS A 32 -4.641 -24.387 -0.435 1.00 41.31 C ATOM 474 NZ LYS A 32 -4.252 -25.487 0.476 1.00 53.41 N ATOM 0 H LYS A 32 -3.996 -18.412 1.527 1.00 42.24 H new ATOM 0 HA LYS A 32 -2.043 -20.505 1.017 1.00 71.24 H new ATOM 0 HB2 LYS A 32 -4.520 -20.647 1.844 1.00 72.05 H new ATOM 0 HB3 LYS A 32 -4.899 -20.557 0.136 1.00 72.05 H new ATOM 0 HG2 LYS A 32 -3.026 -22.427 -0.100 1.00 42.23 H new ATOM 0 HG3 LYS A 32 -3.312 -22.675 1.611 1.00 42.23 H new ATOM 0 HD2 LYS A 32 -5.513 -23.423 1.286 1.00 0.14 H new ATOM 0 HD3 LYS A 32 -5.714 -22.530 -0.208 1.00 0.14 H new ATOM 0 HE2 LYS A 32 -5.487 -24.697 -1.048 1.00 41.31 H new ATOM 0 HE3 LYS A 32 -3.819 -24.163 -1.115 1.00 41.31 H new ATOM 0 HZ1 LYS A 32 -4.005 -26.329 -0.082 1.00 53.41 H new ATOM 0 HZ2 LYS A 32 -3.431 -25.194 1.043 1.00 53.41 H new ATOM 0 HZ3 LYS A 32 -5.047 -25.712 1.108 1.00 53.41 H new ATOM 487 N ALA A 33 -2.877 -18.439 -1.263 1.00 24.40 N ATOM 488 CA ALA A 33 -2.646 -18.036 -2.640 1.00 33.31 C ATOM 489 C ALA A 33 -1.175 -17.656 -2.816 1.00 62.43 C ATOM 490 O ALA A 33 -0.457 -18.284 -3.593 1.00 24.54 O ATOM 491 CB ALA A 33 -3.592 -16.889 -3.001 1.00 70.11 C ATOM 0 H ALA A 33 -3.265 -17.710 -0.664 1.00 24.40 H new ATOM 0 HA ALA A 33 -2.857 -18.860 -3.322 1.00 33.31 H new ATOM 0 HB1 ALA A 33 -3.419 -16.586 -4.034 1.00 70.11 H new ATOM 0 HB2 ALA A 33 -4.624 -17.220 -2.888 1.00 70.11 H new ATOM 0 HB3 ALA A 33 -3.407 -16.043 -2.339 1.00 70.11 H new ATOM 497 N CYS A 34 -0.770 -16.630 -2.083 1.00 23.12 N ATOM 498 CA CYS A 34 0.603 -16.159 -2.148 1.00 63.05 C ATOM 499 C CYS A 34 1.519 -17.275 -1.641 1.00 72.05 C ATOM 500 O CYS A 34 2.713 -17.286 -1.938 1.00 13.05 O ATOM 501 CB CYS A 34 0.794 -14.862 -1.360 1.00 45.32 C ATOM 502 SG CYS A 34 0.094 -15.042 0.321 1.00 54.34 S ATOM 0 H CYS A 34 -1.369 -16.111 -1.441 1.00 23.12 H new ATOM 0 HA CYS A 34 0.860 -15.921 -3.180 1.00 63.05 H new ATOM 0 HB2 CYS A 34 1.854 -14.618 -1.297 1.00 45.32 H new ATOM 0 HB3 CYS A 34 0.307 -14.036 -1.879 1.00 45.32 H new ATOM 0 HG CYS A 34 -1.189 -15.235 0.238 1.00 54.34 H new ATOM 508 N GLY A 35 0.925 -18.187 -0.886 1.00 74.01 N ATOM 509 CA GLY A 35 1.672 -19.305 -0.335 1.00 52.22 C ATOM 510 C GLY A 35 2.110 -19.016 1.102 1.00 33.42 C ATOM 511 O GLY A 35 2.841 -19.803 1.702 1.00 41.02 O ATOM 0 H GLY A 35 -0.065 -18.175 -0.643 1.00 74.01 H new ATOM 0 HA2 GLY A 35 1.057 -20.205 -0.358 1.00 52.22 H new ATOM 0 HA3 GLY A 35 2.548 -19.502 -0.953 1.00 52.22 H new ATOM 515 N LEU A 36 1.644 -17.886 1.613 1.00 33.55 N ATOM 516 CA LEU A 36 1.978 -17.485 2.969 1.00 0.52 C ATOM 517 C LEU A 36 1.441 -18.526 3.953 1.00 75.14 C ATOM 518 O LEU A 36 1.856 -18.565 5.110 1.00 71.13 O ATOM 519 CB LEU A 36 1.481 -16.064 3.245 1.00 34.10 C ATOM 520 CG LEU A 36 2.409 -14.931 2.804 1.00 3.22 C ATOM 521 CD1 LEU A 36 1.641 -13.615 2.667 1.00 42.15 C ATOM 522 CD2 LEU A 36 3.604 -14.801 3.752 1.00 53.15 C ATOM 0 H LEU A 36 1.038 -17.236 1.113 1.00 33.55 H new ATOM 0 HA LEU A 36 3.060 -17.452 3.100 1.00 0.52 H new ATOM 0 HB2 LEU A 36 0.520 -15.934 2.748 1.00 34.10 H new ATOM 0 HB3 LEU A 36 1.302 -15.965 4.316 1.00 34.10 H new ATOM 0 HG LEU A 36 2.804 -15.177 1.819 1.00 3.22 H new ATOM 0 HD11 LEU A 36 2.324 -12.826 2.352 1.00 42.15 H new ATOM 0 HD12 LEU A 36 0.852 -13.730 1.924 1.00 42.15 H new ATOM 0 HD13 LEU A 36 1.199 -13.350 3.627 1.00 42.15 H new ATOM 0 HD21 LEU A 36 4.248 -13.988 3.416 1.00 53.15 H new ATOM 0 HD22 LEU A 36 3.247 -14.588 4.760 1.00 53.15 H new ATOM 0 HD23 LEU A 36 4.168 -15.733 3.756 1.00 53.15 H new ATOM 534 N SER A 37 0.525 -19.345 3.456 1.00 12.21 N ATOM 535 CA SER A 37 -0.074 -20.384 4.277 1.00 41.15 C ATOM 536 C SER A 37 0.938 -21.504 4.523 1.00 65.42 C ATOM 537 O SER A 37 0.705 -22.386 5.348 1.00 24.12 O ATOM 538 CB SER A 37 -1.337 -20.945 3.620 1.00 1.30 C ATOM 539 OG SER A 37 -1.033 -21.897 2.605 1.00 61.24 O ATOM 0 H SER A 37 0.183 -19.310 2.496 1.00 12.21 H new ATOM 0 HA SER A 37 -0.359 -19.944 5.233 1.00 41.15 H new ATOM 0 HB2 SER A 37 -1.964 -21.413 4.380 1.00 1.30 H new ATOM 0 HB3 SER A 37 -1.915 -20.128 3.189 1.00 1.30 H new ATOM 0 HG SER A 37 -1.435 -22.761 2.835 1.00 61.24 H new ATOM 545 N GLY A 38 2.041 -21.433 3.792 1.00 61.33 N ATOM 546 CA GLY A 38 3.090 -22.431 3.920 1.00 10.33 C ATOM 547 C GLY A 38 4.472 -21.775 3.923 1.00 65.20 C ATOM 548 O GLY A 38 5.489 -22.462 3.836 1.00 22.12 O ATOM 0 H GLY A 38 2.231 -20.700 3.109 1.00 61.33 H new ATOM 0 HA2 GLY A 38 2.949 -22.996 4.842 1.00 10.33 H new ATOM 0 HA3 GLY A 38 3.023 -23.142 3.097 1.00 10.33 H new ATOM 552 N LYS A 39 4.466 -20.454 4.024 1.00 73.25 N ATOM 553 CA LYS A 39 5.707 -19.698 4.039 1.00 74.34 C ATOM 554 C LYS A 39 6.482 -20.025 5.316 1.00 22.13 C ATOM 555 O LYS A 39 5.987 -20.748 6.179 1.00 22.43 O ATOM 556 CB LYS A 39 5.427 -18.205 3.854 1.00 71.53 C ATOM 557 CG LYS A 39 5.331 -17.845 2.370 1.00 61.32 C ATOM 558 CD LYS A 39 6.611 -18.234 1.627 1.00 21.54 C ATOM 559 CE LYS A 39 6.862 -17.301 0.442 1.00 44.05 C ATOM 560 NZ LYS A 39 7.510 -18.036 -0.668 1.00 42.41 N ATOM 0 H LYS A 39 3.621 -19.887 4.096 1.00 73.25 H new ATOM 0 HA LYS A 39 6.339 -19.986 3.199 1.00 74.34 H new ATOM 0 HB2 LYS A 39 4.497 -17.941 4.357 1.00 71.53 H new ATOM 0 HB3 LYS A 39 6.220 -17.622 4.323 1.00 71.53 H new ATOM 0 HG2 LYS A 39 4.478 -18.355 1.923 1.00 61.32 H new ATOM 0 HG3 LYS A 39 5.155 -16.775 2.262 1.00 61.32 H new ATOM 0 HD2 LYS A 39 7.459 -18.195 2.311 1.00 21.54 H new ATOM 0 HD3 LYS A 39 6.533 -19.262 1.274 1.00 21.54 H new ATOM 0 HE2 LYS A 39 5.919 -16.874 0.102 1.00 44.05 H new ATOM 0 HE3 LYS A 39 7.494 -16.470 0.754 1.00 44.05 H new ATOM 0 HZ1 LYS A 39 7.673 -17.388 -1.465 1.00 42.41 H new ATOM 0 HZ2 LYS A 39 8.419 -18.423 -0.344 1.00 42.41 H new ATOM 0 HZ3 LYS A 39 6.893 -18.814 -0.976 1.00 42.41 H new ATOM 573 N SER A 40 7.685 -19.476 5.397 1.00 64.22 N ATOM 574 CA SER A 40 8.534 -19.700 6.555 1.00 62.34 C ATOM 575 C SER A 40 8.087 -18.805 7.712 1.00 25.01 C ATOM 576 O SER A 40 7.726 -17.648 7.503 1.00 1.01 O ATOM 577 CB SER A 40 10.004 -19.440 6.219 1.00 51.43 C ATOM 578 OG SER A 40 10.447 -20.225 5.115 1.00 54.32 O ATOM 0 H SER A 40 8.092 -18.876 4.679 1.00 64.22 H new ATOM 0 HA SER A 40 8.437 -20.744 6.853 1.00 62.34 H new ATOM 0 HB2 SER A 40 10.142 -18.383 5.991 1.00 51.43 H new ATOM 0 HB3 SER A 40 10.620 -19.661 7.091 1.00 51.43 H new ATOM 0 HG SER A 40 11.389 -20.029 4.931 1.00 54.32 H new ATOM 584 N THR A 41 8.127 -19.374 8.908 1.00 72.52 N ATOM 585 CA THR A 41 7.730 -18.642 10.099 1.00 65.52 C ATOM 586 C THR A 41 8.662 -17.450 10.327 1.00 70.44 C ATOM 587 O THR A 41 8.371 -16.578 11.144 1.00 65.30 O ATOM 588 CB THR A 41 7.704 -19.626 11.271 1.00 53.52 C ATOM 589 OG1 THR A 41 6.471 -20.322 11.112 1.00 53.22 O ATOM 590 CG2 THR A 41 7.563 -18.922 12.622 1.00 13.12 C ATOM 0 H THR A 41 8.428 -20.334 9.078 1.00 72.52 H new ATOM 0 HA THR A 41 6.732 -18.218 9.989 1.00 65.52 H new ATOM 0 HB THR A 41 8.616 -20.222 11.265 1.00 53.52 H new ATOM 0 HG1 THR A 41 6.373 -20.982 11.830 1.00 53.22 H new ATOM 0 HG21 THR A 41 7.550 -19.665 13.420 1.00 13.12 H new ATOM 0 HG22 THR A 41 8.405 -18.246 12.770 1.00 13.12 H new ATOM 0 HG23 THR A 41 6.633 -18.353 12.641 1.00 13.12 H new ATOM 598 N ASP A 42 9.763 -17.451 9.589 1.00 32.13 N ATOM 599 CA ASP A 42 10.739 -16.380 9.701 1.00 72.54 C ATOM 600 C ASP A 42 10.277 -15.186 8.864 1.00 53.12 C ATOM 601 O ASP A 42 10.193 -14.067 9.367 1.00 55.52 O ATOM 602 CB ASP A 42 12.106 -16.825 9.176 1.00 13.42 C ATOM 603 CG ASP A 42 13.213 -15.775 9.288 1.00 43.02 C ATOM 604 OD1 ASP A 42 13.548 -15.093 8.308 1.00 40.02 O ATOM 605 OD2 ASP A 42 13.748 -15.669 10.457 1.00 64.42 O ATOM 0 H ASP A 42 10.000 -18.176 8.912 1.00 32.13 H new ATOM 0 HA ASP A 42 10.827 -16.111 10.754 1.00 72.54 H new ATOM 0 HB2 ASP A 42 12.415 -17.717 9.721 1.00 13.42 H new ATOM 0 HB3 ASP A 42 12.001 -17.111 8.129 1.00 13.42 H new ATOM 611 N GLU A 43 9.989 -15.465 7.601 1.00 43.41 N ATOM 612 CA GLU A 43 9.538 -14.427 6.689 1.00 12.15 C ATOM 613 C GLU A 43 8.176 -13.888 7.131 1.00 32.04 C ATOM 614 O GLU A 43 7.924 -12.687 7.051 1.00 12.31 O ATOM 615 CB GLU A 43 9.481 -14.947 5.252 1.00 45.44 C ATOM 616 CG GLU A 43 8.157 -15.663 4.979 1.00 64.01 C ATOM 617 CD GLU A 43 8.085 -16.150 3.530 1.00 5.41 C ATOM 618 OE1 GLU A 43 7.095 -15.880 2.834 1.00 44.20 O ATOM 619 OE2 GLU A 43 9.106 -16.830 3.132 1.00 24.43 O ATOM 0 H GLU A 43 10.059 -16.395 7.188 1.00 43.41 H new ATOM 0 HA GLU A 43 10.258 -13.609 6.716 1.00 12.15 H new ATOM 0 HB2 GLU A 43 9.599 -14.116 4.556 1.00 45.44 H new ATOM 0 HB3 GLU A 43 10.311 -15.631 5.076 1.00 45.44 H new ATOM 0 HG2 GLU A 43 8.051 -16.510 5.657 1.00 64.01 H new ATOM 0 HG3 GLU A 43 7.326 -14.987 5.181 1.00 64.01 H new ATOM 627 N VAL A 44 7.333 -14.803 7.588 1.00 2.45 N ATOM 628 CA VAL A 44 6.003 -14.434 8.043 1.00 22.23 C ATOM 629 C VAL A 44 6.104 -13.220 8.969 1.00 55.25 C ATOM 630 O VAL A 44 5.361 -12.252 8.811 1.00 32.12 O ATOM 631 CB VAL A 44 5.325 -15.636 8.705 1.00 40.40 C ATOM 632 CG1 VAL A 44 4.051 -15.211 9.438 1.00 52.14 C ATOM 633 CG2 VAL A 44 5.029 -16.731 7.679 1.00 34.43 C ATOM 0 H VAL A 44 7.545 -15.799 7.653 1.00 2.45 H new ATOM 0 HA VAL A 44 5.376 -14.148 7.199 1.00 22.23 H new ATOM 0 HB VAL A 44 6.014 -16.046 9.443 1.00 40.40 H new ATOM 0 HG11 VAL A 44 3.589 -16.083 9.900 1.00 52.14 H new ATOM 0 HG12 VAL A 44 4.301 -14.482 10.209 1.00 52.14 H new ATOM 0 HG13 VAL A 44 3.355 -14.764 8.728 1.00 52.14 H new ATOM 0 HG21 VAL A 44 4.547 -17.574 8.175 1.00 34.43 H new ATOM 0 HG22 VAL A 44 4.367 -16.337 6.908 1.00 34.43 H new ATOM 0 HG23 VAL A 44 5.961 -17.063 7.222 1.00 34.43 H new ATOM 643 N LYS A 45 7.028 -13.310 9.913 1.00 21.51 N ATOM 644 CA LYS A 45 7.235 -12.231 10.864 1.00 62.13 C ATOM 645 C LYS A 45 7.567 -10.945 10.104 1.00 15.02 C ATOM 646 O LYS A 45 7.224 -9.851 10.550 1.00 51.12 O ATOM 647 CB LYS A 45 8.292 -12.624 11.898 1.00 14.24 C ATOM 648 CG LYS A 45 7.794 -13.769 12.783 1.00 52.21 C ATOM 649 CD LYS A 45 8.964 -14.497 13.447 1.00 11.14 C ATOM 650 CE LYS A 45 8.463 -15.597 14.385 1.00 25.24 C ATOM 651 NZ LYS A 45 7.637 -15.019 15.468 1.00 2.34 N ATOM 0 H LYS A 45 7.643 -14.114 10.040 1.00 21.51 H new ATOM 0 HA LYS A 45 6.323 -12.042 11.430 1.00 62.13 H new ATOM 0 HB2 LYS A 45 9.209 -12.924 11.390 1.00 14.24 H new ATOM 0 HB3 LYS A 45 8.538 -11.762 12.517 1.00 14.24 H new ATOM 0 HG2 LYS A 45 7.124 -13.377 13.548 1.00 52.21 H new ATOM 0 HG3 LYS A 45 7.217 -14.472 12.183 1.00 52.21 H new ATOM 0 HD2 LYS A 45 9.608 -14.931 12.682 1.00 11.14 H new ATOM 0 HD3 LYS A 45 9.570 -13.785 14.007 1.00 11.14 H new ATOM 0 HE2 LYS A 45 7.878 -16.324 13.822 1.00 25.24 H new ATOM 0 HE3 LYS A 45 9.311 -16.132 14.813 1.00 25.24 H new ATOM 0 HZ1 LYS A 45 7.924 -15.429 16.380 1.00 2.34 H new ATOM 0 HZ2 LYS A 45 7.771 -13.988 15.494 1.00 2.34 H new ATOM 0 HZ3 LYS A 45 6.635 -15.234 15.292 1.00 2.34 H new ATOM 664 N LYS A 46 8.229 -11.119 8.970 1.00 21.32 N ATOM 665 CA LYS A 46 8.611 -9.986 8.144 1.00 35.14 C ATOM 666 C LYS A 46 7.409 -9.543 7.308 1.00 53.30 C ATOM 667 O LYS A 46 7.348 -8.399 6.859 1.00 64.11 O ATOM 668 CB LYS A 46 9.849 -10.323 7.311 1.00 11.04 C ATOM 669 CG LYS A 46 10.803 -11.231 8.090 1.00 70.21 C ATOM 670 CD LYS A 46 11.083 -10.666 9.484 1.00 51.12 C ATOM 671 CE LYS A 46 12.061 -9.491 9.413 1.00 72.31 C ATOM 672 NZ LYS A 46 13.372 -9.939 8.894 1.00 63.54 N ATOM 0 H LYS A 46 8.511 -12.028 8.603 1.00 21.32 H new ATOM 0 HA LYS A 46 8.897 -9.139 8.767 1.00 35.14 H new ATOM 0 HB2 LYS A 46 9.547 -10.815 6.386 1.00 11.04 H new ATOM 0 HB3 LYS A 46 10.364 -9.404 7.030 1.00 11.04 H new ATOM 0 HG2 LYS A 46 10.371 -12.228 8.178 1.00 70.21 H new ATOM 0 HG3 LYS A 46 11.739 -11.336 7.542 1.00 70.21 H new ATOM 0 HD2 LYS A 46 10.149 -10.340 9.942 1.00 51.12 H new ATOM 0 HD3 LYS A 46 11.495 -11.448 10.122 1.00 51.12 H new ATOM 0 HE2 LYS A 46 11.655 -8.711 8.769 1.00 72.31 H new ATOM 0 HE3 LYS A 46 12.186 -9.053 10.404 1.00 72.31 H new ATOM 0 HZ1 LYS A 46 14.115 -9.287 9.217 1.00 63.54 H new ATOM 0 HZ2 LYS A 46 13.575 -10.897 9.245 1.00 63.54 H new ATOM 0 HZ3 LYS A 46 13.349 -9.949 7.854 1.00 63.54 H new ATOM 685 N ALA A 47 6.481 -10.471 7.124 1.00 44.00 N ATOM 686 CA ALA A 47 5.285 -10.190 6.349 1.00 34.13 C ATOM 687 C ALA A 47 4.302 -9.391 7.208 1.00 23.02 C ATOM 688 O ALA A 47 3.656 -8.465 6.720 1.00 23.11 O ATOM 689 CB ALA A 47 4.683 -11.503 5.845 1.00 62.25 C ATOM 0 H ALA A 47 6.534 -11.418 7.499 1.00 44.00 H new ATOM 0 HA ALA A 47 5.528 -9.585 5.475 1.00 34.13 H new ATOM 0 HB1 ALA A 47 3.786 -11.292 5.263 1.00 62.25 H new ATOM 0 HB2 ALA A 47 5.409 -12.019 5.217 1.00 62.25 H new ATOM 0 HB3 ALA A 47 4.425 -12.135 6.695 1.00 62.25 H new ATOM 695 N PHE A 48 4.221 -9.778 8.473 1.00 73.44 N ATOM 696 CA PHE A 48 3.328 -9.110 9.404 1.00 41.30 C ATOM 697 C PHE A 48 3.730 -7.646 9.594 1.00 40.45 C ATOM 698 O PHE A 48 2.919 -6.826 10.021 1.00 54.34 O ATOM 699 CB PHE A 48 3.453 -9.838 10.744 1.00 55.13 C ATOM 700 CG PHE A 48 2.948 -9.029 11.941 1.00 72.33 C ATOM 701 CD1 PHE A 48 3.662 -7.962 12.390 1.00 35.52 C ATOM 702 CD2 PHE A 48 1.786 -9.378 12.555 1.00 15.50 C ATOM 703 CE1 PHE A 48 3.193 -7.212 13.501 1.00 62.20 C ATOM 704 CE2 PHE A 48 1.317 -8.627 13.666 1.00 62.21 C ATOM 705 CZ PHE A 48 2.031 -7.560 14.115 1.00 31.35 C ATOM 0 H PHE A 48 4.759 -10.546 8.875 1.00 73.44 H new ATOM 0 HA PHE A 48 2.307 -9.133 9.022 1.00 41.30 H new ATOM 0 HB2 PHE A 48 2.897 -10.774 10.691 1.00 55.13 H new ATOM 0 HB3 PHE A 48 4.499 -10.097 10.909 1.00 55.13 H new ATOM 0 HD1 PHE A 48 4.585 -7.685 11.902 1.00 35.52 H new ATOM 0 HD2 PHE A 48 1.220 -10.226 12.198 1.00 15.50 H new ATOM 0 HE1 PHE A 48 3.760 -6.365 13.858 1.00 62.20 H new ATOM 0 HE2 PHE A 48 0.394 -8.903 14.154 1.00 62.21 H new ATOM 0 HZ PHE A 48 1.675 -6.989 14.960 1.00 31.35 H new ATOM 715 N ALA A 49 4.982 -7.362 9.267 1.00 42.14 N ATOM 716 CA ALA A 49 5.502 -6.011 9.395 1.00 33.05 C ATOM 717 C ALA A 49 5.181 -5.223 8.124 1.00 2.40 C ATOM 718 O ALA A 49 5.470 -4.030 8.040 1.00 52.14 O ATOM 719 CB ALA A 49 7.003 -6.067 9.684 1.00 1.42 C ATOM 0 H ALA A 49 5.652 -8.045 8.913 1.00 42.14 H new ATOM 0 HA ALA A 49 5.029 -5.495 10.230 1.00 33.05 H new ATOM 0 HB1 ALA A 49 7.393 -5.054 9.780 1.00 1.42 H new ATOM 0 HB2 ALA A 49 7.175 -6.611 10.613 1.00 1.42 H new ATOM 0 HB3 ALA A 49 7.512 -6.576 8.866 1.00 1.42 H new ATOM 725 N ILE A 50 4.589 -5.921 7.167 1.00 52.15 N ATOM 726 CA ILE A 50 4.226 -5.301 5.903 1.00 20.14 C ATOM 727 C ILE A 50 2.922 -4.520 6.079 1.00 3.04 C ATOM 728 O ILE A 50 2.870 -3.322 5.804 1.00 20.31 O ATOM 729 CB ILE A 50 4.170 -6.348 4.789 1.00 31.33 C ATOM 730 CG1 ILE A 50 5.413 -7.240 4.811 1.00 4.54 C ATOM 731 CG2 ILE A 50 3.963 -5.687 3.425 1.00 32.12 C ATOM 732 CD1 ILE A 50 6.648 -6.470 4.337 1.00 31.12 C ATOM 0 H ILE A 50 4.351 -6.910 7.241 1.00 52.15 H new ATOM 0 HA ILE A 50 4.989 -4.585 5.597 1.00 20.14 H new ATOM 0 HB ILE A 50 3.309 -6.992 4.969 1.00 31.33 H new ATOM 0 HG12 ILE A 50 5.579 -7.614 5.821 1.00 4.54 H new ATOM 0 HG13 ILE A 50 5.254 -8.108 4.172 1.00 4.54 H new ATOM 0 HG21 ILE A 50 3.927 -6.454 2.651 1.00 32.12 H new ATOM 0 HG22 ILE A 50 3.026 -5.131 3.429 1.00 32.12 H new ATOM 0 HG23 ILE A 50 4.789 -5.005 3.222 1.00 32.12 H new ATOM 0 HD11 ILE A 50 7.518 -7.126 4.362 1.00 31.12 H new ATOM 0 HD12 ILE A 50 6.488 -6.118 3.318 1.00 31.12 H new ATOM 0 HD13 ILE A 50 6.819 -5.616 4.993 1.00 31.12 H new ATOM 744 N ILE A 51 1.902 -5.230 6.537 1.00 34.01 N ATOM 745 CA ILE A 51 0.601 -4.618 6.753 1.00 25.32 C ATOM 746 C ILE A 51 0.734 -3.501 7.790 1.00 43.22 C ATOM 747 O ILE A 51 0.379 -2.354 7.521 1.00 62.32 O ATOM 748 CB ILE A 51 -0.436 -5.680 7.123 1.00 24.54 C ATOM 749 CG1 ILE A 51 -0.248 -6.946 6.284 1.00 11.10 C ATOM 750 CG2 ILE A 51 -1.856 -5.123 7.010 1.00 1.15 C ATOM 751 CD1 ILE A 51 0.106 -8.143 7.168 1.00 31.15 C ATOM 0 H ILE A 51 1.949 -6.223 6.765 1.00 34.01 H new ATOM 0 HA ILE A 51 0.239 -4.159 5.833 1.00 25.32 H new ATOM 0 HB ILE A 51 -0.282 -5.959 8.165 1.00 24.54 H new ATOM 0 HG12 ILE A 51 -1.162 -7.157 5.729 1.00 11.10 H new ATOM 0 HG13 ILE A 51 0.541 -6.786 5.550 1.00 11.10 H new ATOM 0 HG21 ILE A 51 -2.573 -5.898 7.278 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -1.969 -4.275 7.685 1.00 1.15 H new ATOM 0 HG23 ILE A 51 -2.039 -4.798 5.986 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.234 -9.029 6.546 1.00 31.15 H new ATOM 0 HD12 ILE A 51 1.033 -7.938 7.703 1.00 31.15 H new ATOM 0 HD13 ILE A 51 -0.697 -8.316 7.885 1.00 31.15 H new ATOM 763 N ASP A 52 1.247 -3.874 8.953 1.00 33.31 N ATOM 764 CA ASP A 52 1.431 -2.918 10.031 1.00 11.14 C ATOM 765 C ASP A 52 1.942 -1.597 9.454 1.00 43.34 C ATOM 766 O ASP A 52 3.118 -1.479 9.111 1.00 53.52 O ATOM 767 CB ASP A 52 2.461 -3.421 11.044 1.00 23.31 C ATOM 768 CG ASP A 52 1.955 -4.505 11.997 1.00 32.44 C ATOM 769 OD1 ASP A 52 2.047 -4.369 13.226 1.00 25.34 O ATOM 770 OD2 ASP A 52 1.440 -5.539 11.423 1.00 71.40 O ATOM 0 H ASP A 52 1.541 -4.826 9.172 1.00 33.31 H new ATOM 0 HA ASP A 52 0.471 -2.784 10.529 1.00 11.14 H new ATOM 0 HB2 ASP A 52 3.323 -3.809 10.501 1.00 23.31 H new ATOM 0 HB3 ASP A 52 2.811 -2.574 11.634 1.00 23.31 H new ATOM 776 N GLN A 53 1.034 -0.636 9.363 1.00 21.24 N ATOM 777 CA GLN A 53 1.379 0.672 8.833 1.00 75.00 C ATOM 778 C GLN A 53 1.703 1.639 9.974 1.00 62.43 C ATOM 779 O GLN A 53 2.364 2.649 9.832 1.00 33.23 O ATOM 780 CB GLN A 53 0.253 1.220 7.953 1.00 4.52 C ATOM 781 CG GLN A 53 -0.214 0.171 6.943 1.00 34.54 C ATOM 782 CD GLN A 53 -0.951 0.825 5.773 1.00 14.33 C ATOM 783 OE1 GLN A 53 -0.447 1.716 5.109 1.00 75.00 O ATOM 784 NE2 GLN A 53 -2.169 0.336 5.559 1.00 33.21 N ATOM 0 H GLN A 53 0.060 -0.737 9.648 1.00 21.24 H new ATOM 0 HA GLN A 53 2.267 0.568 8.209 1.00 75.00 H new ATOM 0 HB2 GLN A 53 -0.586 1.526 8.578 1.00 4.52 H new ATOM 0 HB3 GLN A 53 0.599 2.109 7.426 1.00 4.52 H new ATOM 0 HG2 GLN A 53 0.645 -0.387 6.570 1.00 34.54 H new ATOM 0 HG3 GLN A 53 -0.871 -0.546 7.436 1.00 34.54 H new ATOM 0 HE21 GLN A 53 -2.530 -0.411 6.153 1.00 33.21 H new ATOM 0 HE22 GLN A 53 -2.742 0.707 4.801 1.00 33.21 H new ATOM 793 N ASP A 54 1.216 1.303 11.136 1.00 15.31 N ATOM 794 CA ASP A 54 1.467 2.160 12.329 1.00 41.21 C ATOM 795 C ASP A 54 2.344 1.410 13.337 1.00 34.11 C ATOM 796 O ASP A 54 2.684 2.005 14.358 1.00 23.24 O ATOM 797 CB ASP A 54 0.083 2.433 12.919 1.00 1.01 C ATOM 798 CG ASP A 54 -0.659 1.110 13.117 1.00 44.21 C ATOM 799 OD1 ASP A 54 -0.910 0.440 12.128 1.00 2.12 O ATOM 800 OD2 ASP A 54 -0.965 0.788 14.253 1.00 14.33 O ATOM 0 H ASP A 54 0.654 0.470 11.312 1.00 15.31 H new ATOM 0 HA ASP A 54 1.989 3.083 12.076 1.00 41.21 H new ATOM 0 HB2 ASP A 54 0.179 2.954 13.871 1.00 1.01 H new ATOM 0 HB3 ASP A 54 -0.485 3.084 12.255 1.00 1.01 H new ATOM 805 N LYS A 55 2.679 0.161 13.049 1.00 34.21 N ATOM 806 CA LYS A 55 3.503 -0.621 13.955 1.00 11.22 C ATOM 807 C LYS A 55 2.952 -0.493 15.377 1.00 64.30 C ATOM 808 O LYS A 55 3.713 -0.313 16.327 1.00 53.11 O ATOM 809 CB LYS A 55 4.973 -0.216 13.826 1.00 32.32 C ATOM 810 CG LYS A 55 5.297 0.225 12.397 1.00 14.45 C ATOM 811 CD LYS A 55 5.022 -0.902 11.400 1.00 41.53 C ATOM 812 CE LYS A 55 5.548 -2.239 11.925 1.00 43.23 C ATOM 813 NZ LYS A 55 5.923 -3.125 10.801 1.00 65.44 N ATOM 0 H LYS A 55 2.395 -0.329 12.201 1.00 34.21 H new ATOM 0 HA LYS A 55 3.463 -1.678 13.691 1.00 11.22 H new ATOM 0 HB2 LYS A 55 5.192 0.596 14.519 1.00 32.32 H new ATOM 0 HB3 LYS A 55 5.611 -1.055 14.105 1.00 32.32 H new ATOM 0 HG2 LYS A 55 4.699 1.099 12.138 1.00 14.45 H new ATOM 0 HG3 LYS A 55 6.343 0.524 12.333 1.00 14.45 H new ATOM 0 HD2 LYS A 55 3.950 -0.976 11.216 1.00 41.53 H new ATOM 0 HD3 LYS A 55 5.494 -0.671 10.445 1.00 41.53 H new ATOM 0 HE2 LYS A 55 6.413 -2.070 12.567 1.00 43.23 H new ATOM 0 HE3 LYS A 55 4.786 -2.721 12.537 1.00 43.23 H new ATOM 0 HZ1 LYS A 55 5.984 -4.107 11.138 1.00 65.44 H new ATOM 0 HZ2 LYS A 55 5.204 -3.060 10.053 1.00 65.44 H new ATOM 0 HZ3 LYS A 55 6.846 -2.832 10.421 1.00 65.44 H new ATOM 826 N SER A 56 1.635 -0.592 15.478 1.00 21.13 N ATOM 827 CA SER A 56 0.974 -0.490 16.768 1.00 30.12 C ATOM 828 C SER A 56 1.398 -1.653 17.667 1.00 21.31 C ATOM 829 O SER A 56 1.133 -1.643 18.868 1.00 33.31 O ATOM 830 CB SER A 56 -0.547 -0.471 16.607 1.00 34.04 C ATOM 831 OG SER A 56 -0.979 -1.276 15.513 1.00 4.32 O ATOM 0 H SER A 56 1.008 -0.742 14.688 1.00 21.13 H new ATOM 0 HA SER A 56 1.275 0.449 17.233 1.00 30.12 H new ATOM 0 HB2 SER A 56 -1.013 -0.828 17.526 1.00 34.04 H new ATOM 0 HB3 SER A 56 -0.883 0.555 16.457 1.00 34.04 H new ATOM 0 HG SER A 56 -1.547 -0.743 14.919 1.00 4.32 H new ATOM 837 N GLY A 57 2.050 -2.628 17.051 1.00 63.12 N ATOM 838 CA GLY A 57 2.514 -3.796 17.780 1.00 32.31 C ATOM 839 C GLY A 57 1.698 -5.036 17.406 1.00 1.51 C ATOM 840 O GLY A 57 2.191 -6.159 17.500 1.00 53.35 O ATOM 0 H GLY A 57 2.268 -2.633 16.055 1.00 63.12 H new ATOM 0 HA2 GLY A 57 3.568 -3.970 17.562 1.00 32.31 H new ATOM 0 HA3 GLY A 57 2.436 -3.615 18.852 1.00 32.31 H new ATOM 844 N PHE A 58 0.464 -4.789 16.991 1.00 64.34 N ATOM 845 CA PHE A 58 -0.424 -5.871 16.602 1.00 34.31 C ATOM 846 C PHE A 58 -1.319 -5.453 15.433 1.00 24.30 C ATOM 847 O PHE A 58 -1.230 -4.325 14.951 1.00 24.13 O ATOM 848 CB PHE A 58 -1.304 -6.185 17.814 1.00 25.03 C ATOM 849 CG PHE A 58 -0.519 -6.601 19.061 1.00 74.14 C ATOM 850 CD1 PHE A 58 0.498 -7.497 18.956 1.00 64.21 C ATOM 851 CD2 PHE A 58 -0.840 -6.075 20.273 1.00 73.11 C ATOM 852 CE1 PHE A 58 1.226 -7.883 20.112 1.00 30.45 C ATOM 853 CE2 PHE A 58 -0.113 -6.461 21.430 1.00 63.44 C ATOM 854 CZ PHE A 58 0.905 -7.357 21.325 1.00 61.41 C ATOM 0 H PHE A 58 0.059 -3.856 16.916 1.00 64.34 H new ATOM 0 HA PHE A 58 0.160 -6.736 16.287 1.00 34.31 H new ATOM 0 HB2 PHE A 58 -1.905 -5.307 18.051 1.00 25.03 H new ATOM 0 HB3 PHE A 58 -1.997 -6.984 17.550 1.00 25.03 H new ATOM 0 HD1 PHE A 58 0.752 -7.915 17.993 1.00 64.21 H new ATOM 0 HD2 PHE A 58 -1.648 -5.363 20.356 1.00 73.11 H new ATOM 0 HE1 PHE A 58 2.035 -8.594 20.029 1.00 30.45 H new ATOM 0 HE2 PHE A 58 -0.368 -6.043 22.393 1.00 63.44 H new ATOM 0 HZ PHE A 58 1.459 -7.651 22.205 1.00 61.41 H new ATOM 864 N ILE A 59 -2.160 -6.386 15.011 1.00 40.55 N ATOM 865 CA ILE A 59 -3.070 -6.128 13.907 1.00 24.10 C ATOM 866 C ILE A 59 -4.512 -6.230 14.406 1.00 32.15 C ATOM 867 O ILE A 59 -5.141 -7.281 14.288 1.00 51.51 O ATOM 868 CB ILE A 59 -2.759 -7.055 12.730 1.00 54.33 C ATOM 869 CG1 ILE A 59 -1.366 -6.774 12.163 1.00 53.51 C ATOM 870 CG2 ILE A 59 -3.845 -6.959 11.656 1.00 71.11 C ATOM 871 CD1 ILE A 59 -0.949 -7.860 11.170 1.00 24.54 C ATOM 0 H ILE A 59 -2.231 -7.321 15.413 1.00 40.55 H new ATOM 0 HA ILE A 59 -2.934 -5.114 13.530 1.00 24.10 H new ATOM 0 HB ILE A 59 -2.756 -8.082 13.095 1.00 54.33 H new ATOM 0 HG12 ILE A 59 -1.360 -5.803 11.669 1.00 53.51 H new ATOM 0 HG13 ILE A 59 -0.642 -6.722 12.976 1.00 53.51 H new ATOM 0 HG21 ILE A 59 -3.600 -7.627 10.830 1.00 71.11 H new ATOM 0 HG22 ILE A 59 -4.806 -7.247 12.083 1.00 71.11 H new ATOM 0 HG23 ILE A 59 -3.904 -5.935 11.288 1.00 71.11 H new ATOM 0 HD11 ILE A 59 0.045 -7.636 10.782 1.00 24.54 H new ATOM 0 HD12 ILE A 59 -0.933 -8.827 11.674 1.00 24.54 H new ATOM 0 HD13 ILE A 59 -1.662 -7.892 10.346 1.00 24.54 H new ATOM 883 N GLU A 60 -4.994 -5.124 14.955 1.00 74.55 N ATOM 884 CA GLU A 60 -6.351 -5.076 15.472 1.00 32.24 C ATOM 885 C GLU A 60 -7.360 -5.227 14.332 1.00 13.03 C ATOM 886 O GLU A 60 -6.979 -5.286 13.164 1.00 4.55 O ATOM 887 CB GLU A 60 -6.595 -3.783 16.253 1.00 44.25 C ATOM 888 CG GLU A 60 -5.371 -3.410 17.091 1.00 3.25 C ATOM 889 CD GLU A 60 -4.755 -2.095 16.609 1.00 52.21 C ATOM 890 OE1 GLU A 60 -5.435 -1.058 16.603 1.00 4.52 O ATOM 891 OE2 GLU A 60 -3.524 -2.175 16.231 1.00 33.12 O ATOM 0 H GLU A 60 -4.469 -4.255 15.053 1.00 74.55 H new ATOM 0 HA GLU A 60 -6.485 -5.909 16.162 1.00 32.24 H new ATOM 0 HB2 GLU A 60 -6.826 -2.974 15.560 1.00 44.25 H new ATOM 0 HB3 GLU A 60 -7.462 -3.904 16.903 1.00 44.25 H new ATOM 0 HG2 GLU A 60 -5.658 -3.319 18.139 1.00 3.25 H new ATOM 0 HG3 GLU A 60 -4.629 -4.206 17.032 1.00 3.25 H new ATOM 899 N GLU A 61 -8.629 -5.286 14.711 1.00 5.51 N ATOM 900 CA GLU A 61 -9.695 -5.428 13.735 1.00 73.41 C ATOM 901 C GLU A 61 -9.612 -4.314 12.690 1.00 4.21 C ATOM 902 O GLU A 61 -9.581 -4.584 11.490 1.00 13.35 O ATOM 903 CB GLU A 61 -11.065 -5.439 14.417 1.00 42.21 C ATOM 904 CG GLU A 61 -12.083 -6.226 13.590 1.00 32.41 C ATOM 905 CD GLU A 61 -13.501 -6.022 14.127 1.00 52.40 C ATOM 906 OE1 GLU A 61 -14.420 -5.721 13.351 1.00 14.40 O ATOM 907 OE2 GLU A 61 -13.632 -6.187 15.400 1.00 65.03 O ATOM 0 H GLU A 61 -8.942 -5.238 15.681 1.00 5.51 H new ATOM 0 HA GLU A 61 -9.570 -6.384 13.227 1.00 73.41 H new ATOM 0 HB2 GLU A 61 -10.978 -5.881 15.409 1.00 42.21 H new ATOM 0 HB3 GLU A 61 -11.415 -4.416 14.554 1.00 42.21 H new ATOM 0 HG2 GLU A 61 -12.035 -5.907 12.549 1.00 32.41 H new ATOM 0 HG3 GLU A 61 -11.832 -7.286 13.611 1.00 32.41 H new ATOM 915 N GLU A 62 -9.576 -3.085 13.184 1.00 54.10 N ATOM 916 CA GLU A 62 -9.497 -1.928 12.308 1.00 63.30 C ATOM 917 C GLU A 62 -8.327 -2.080 11.333 1.00 32.23 C ATOM 918 O GLU A 62 -8.319 -1.467 10.267 1.00 14.11 O ATOM 919 CB GLU A 62 -9.372 -0.636 13.117 1.00 51.43 C ATOM 920 CG GLU A 62 -10.496 -0.524 14.149 1.00 23.22 C ATOM 921 CD GLU A 62 -10.710 0.931 14.571 1.00 34.20 C ATOM 922 OE1 GLU A 62 -10.890 1.806 13.711 1.00 71.42 O ATOM 923 OE2 GLU A 62 -10.687 1.139 15.844 1.00 71.50 O ATOM 0 H GLU A 62 -9.600 -2.865 14.180 1.00 54.10 H new ATOM 0 HA GLU A 62 -10.420 -1.869 11.731 1.00 63.30 H new ATOM 0 HB2 GLU A 62 -8.406 -0.611 13.622 1.00 51.43 H new ATOM 0 HB3 GLU A 62 -9.403 0.222 12.446 1.00 51.43 H new ATOM 0 HG2 GLU A 62 -11.419 -0.925 13.731 1.00 23.22 H new ATOM 0 HG3 GLU A 62 -10.253 -1.128 15.023 1.00 23.22 H new ATOM 931 N GLU A 63 -7.367 -2.901 11.734 1.00 13.20 N ATOM 932 CA GLU A 63 -6.195 -3.141 10.909 1.00 34.12 C ATOM 933 C GLU A 63 -6.379 -4.416 10.084 1.00 33.43 C ATOM 934 O GLU A 63 -5.780 -4.563 9.020 1.00 73.20 O ATOM 935 CB GLU A 63 -4.929 -3.219 11.765 1.00 74.32 C ATOM 936 CG GLU A 63 -4.589 -1.854 12.367 1.00 71.44 C ATOM 937 CD GLU A 63 -3.078 -1.697 12.548 1.00 50.42 C ATOM 938 OE1 GLU A 63 -2.668 -1.451 13.703 1.00 64.13 O ATOM 939 OE2 GLU A 63 -2.368 -1.825 11.527 1.00 24.04 O ATOM 0 H GLU A 63 -7.377 -3.408 12.619 1.00 13.20 H new ATOM 0 HA GLU A 63 -6.079 -2.302 10.223 1.00 34.12 H new ATOM 0 HB2 GLU A 63 -5.070 -3.948 12.563 1.00 74.32 H new ATOM 0 HB3 GLU A 63 -4.095 -3.570 11.157 1.00 74.32 H new ATOM 0 HG2 GLU A 63 -4.966 -1.063 11.719 1.00 71.44 H new ATOM 0 HG3 GLU A 63 -5.088 -1.742 13.330 1.00 71.44 H new ATOM 946 N LEU A 64 -7.210 -5.306 10.607 1.00 71.43 N ATOM 947 CA LEU A 64 -7.480 -6.564 9.932 1.00 74.42 C ATOM 948 C LEU A 64 -8.058 -6.280 8.544 1.00 13.20 C ATOM 949 O LEU A 64 -7.572 -6.808 7.545 1.00 13.20 O ATOM 950 CB LEU A 64 -8.372 -7.457 10.798 1.00 2.51 C ATOM 951 CG LEU A 64 -7.651 -8.318 11.837 1.00 12.34 C ATOM 952 CD1 LEU A 64 -8.647 -9.158 12.638 1.00 33.54 C ATOM 953 CD2 LEU A 64 -6.571 -9.180 11.181 1.00 1.22 C ATOM 0 H LEU A 64 -7.705 -5.181 11.490 1.00 71.43 H new ATOM 0 HA LEU A 64 -6.556 -7.123 9.785 1.00 74.42 H new ATOM 0 HB2 LEU A 64 -9.092 -6.824 11.316 1.00 2.51 H new ATOM 0 HB3 LEU A 64 -8.941 -8.115 10.141 1.00 2.51 H new ATOM 0 HG LEU A 64 -7.149 -7.655 12.541 1.00 12.34 H new ATOM 0 HD11 LEU A 64 -8.109 -9.761 13.370 1.00 33.54 H new ATOM 0 HD12 LEU A 64 -9.346 -8.500 13.154 1.00 33.54 H new ATOM 0 HD13 LEU A 64 -9.197 -9.813 11.962 1.00 33.54 H new ATOM 0 HD21 LEU A 64 -6.074 -9.782 11.942 1.00 1.22 H new ATOM 0 HD22 LEU A 64 -7.029 -9.836 10.441 1.00 1.22 H new ATOM 0 HD23 LEU A 64 -5.839 -8.537 10.692 1.00 1.22 H new ATOM 965 N LYS A 65 -9.088 -5.446 8.526 1.00 3.14 N ATOM 966 CA LYS A 65 -9.737 -5.085 7.278 1.00 50.33 C ATOM 967 C LYS A 65 -8.709 -4.453 6.337 1.00 23.12 C ATOM 968 O LYS A 65 -8.938 -4.362 5.132 1.00 22.31 O ATOM 969 CB LYS A 65 -10.954 -4.197 7.544 1.00 10.50 C ATOM 970 CG LYS A 65 -10.533 -2.743 7.770 1.00 50.12 C ATOM 971 CD LYS A 65 -11.755 -1.830 7.890 1.00 73.51 C ATOM 972 CE LYS A 65 -12.342 -1.882 9.302 1.00 25.41 C ATOM 973 NZ LYS A 65 -11.735 -0.835 10.154 1.00 41.11 N ATOM 0 H LYS A 65 -9.489 -5.010 9.357 1.00 3.14 H new ATOM 0 HA LYS A 65 -10.123 -5.974 6.779 1.00 50.33 H new ATOM 0 HB2 LYS A 65 -11.641 -4.253 6.700 1.00 10.50 H new ATOM 0 HB3 LYS A 65 -11.492 -4.564 8.418 1.00 10.50 H new ATOM 0 HG2 LYS A 65 -9.931 -2.672 8.676 1.00 50.12 H new ATOM 0 HG3 LYS A 65 -9.906 -2.410 6.943 1.00 50.12 H new ATOM 0 HD2 LYS A 65 -11.473 -0.805 7.647 1.00 73.51 H new ATOM 0 HD3 LYS A 65 -12.512 -2.133 7.166 1.00 73.51 H new ATOM 0 HE2 LYS A 65 -13.422 -1.743 9.259 1.00 25.41 H new ATOM 0 HE3 LYS A 65 -12.164 -2.864 9.740 1.00 25.41 H new ATOM 0 HZ1 LYS A 65 -12.054 -0.958 11.136 1.00 41.11 H new ATOM 0 HZ2 LYS A 65 -10.699 -0.913 10.115 1.00 41.11 H new ATOM 0 HZ3 LYS A 65 -12.025 0.103 9.811 1.00 41.11 H new ATOM 986 N LEU A 66 -7.597 -4.033 6.924 1.00 54.14 N ATOM 987 CA LEU A 66 -6.533 -3.412 6.153 1.00 32.51 C ATOM 988 C LEU A 66 -5.523 -4.482 5.734 1.00 64.10 C ATOM 989 O LEU A 66 -4.346 -4.185 5.535 1.00 24.22 O ATOM 990 CB LEU A 66 -5.912 -2.252 6.934 1.00 35.41 C ATOM 991 CG LEU A 66 -6.897 -1.267 7.566 1.00 11.43 C ATOM 992 CD1 LEU A 66 -6.163 -0.224 8.411 1.00 44.32 C ATOM 993 CD2 LEU A 66 -7.785 -0.620 6.501 1.00 11.34 C ATOM 0 H LEU A 66 -7.410 -4.111 7.924 1.00 54.14 H new ATOM 0 HA LEU A 66 -6.931 -2.973 5.238 1.00 32.51 H new ATOM 0 HB2 LEU A 66 -5.285 -2.666 7.724 1.00 35.41 H new ATOM 0 HB3 LEU A 66 -5.255 -1.698 6.263 1.00 35.41 H new ATOM 0 HG LEU A 66 -7.552 -1.822 8.237 1.00 11.43 H new ATOM 0 HD11 LEU A 66 -6.886 0.464 8.849 1.00 44.32 H new ATOM 0 HD12 LEU A 66 -5.610 -0.724 9.206 1.00 44.32 H new ATOM 0 HD13 LEU A 66 -5.469 0.332 7.781 1.00 44.32 H new ATOM 0 HD21 LEU A 66 -8.476 0.076 6.977 1.00 11.34 H new ATOM 0 HD22 LEU A 66 -7.163 -0.081 5.786 1.00 11.34 H new ATOM 0 HD23 LEU A 66 -8.350 -1.393 5.980 1.00 11.34 H new ATOM 1005 N PHE A 67 -6.019 -5.704 5.612 1.00 32.41 N ATOM 1006 CA PHE A 67 -5.174 -6.820 5.220 1.00 13.32 C ATOM 1007 C PHE A 67 -4.890 -6.791 3.717 1.00 11.41 C ATOM 1008 O PHE A 67 -4.219 -7.677 3.191 1.00 24.14 O ATOM 1009 CB PHE A 67 -5.940 -8.101 5.558 1.00 42.33 C ATOM 1010 CG PHE A 67 -5.287 -9.376 5.019 1.00 14.42 C ATOM 1011 CD1 PHE A 67 -4.073 -9.768 5.488 1.00 23.44 C ATOM 1012 CD2 PHE A 67 -5.922 -10.116 4.071 1.00 30.02 C ATOM 1013 CE1 PHE A 67 -3.467 -10.951 4.988 1.00 33.55 C ATOM 1014 CE2 PHE A 67 -5.317 -11.299 3.571 1.00 25.23 C ATOM 1015 CZ PHE A 67 -4.102 -11.692 4.041 1.00 41.15 C ATOM 0 H PHE A 67 -6.996 -5.947 5.778 1.00 32.41 H new ATOM 0 HA PHE A 67 -4.220 -6.766 5.744 1.00 13.32 H new ATOM 0 HB2 PHE A 67 -6.032 -8.182 6.641 1.00 42.33 H new ATOM 0 HB3 PHE A 67 -6.951 -8.025 5.157 1.00 42.33 H new ATOM 0 HD1 PHE A 67 -3.569 -9.180 6.241 1.00 23.44 H new ATOM 0 HD2 PHE A 67 -6.886 -9.804 3.699 1.00 30.02 H new ATOM 0 HE1 PHE A 67 -2.502 -11.262 5.360 1.00 33.55 H new ATOM 0 HE2 PHE A 67 -5.821 -11.887 2.818 1.00 25.23 H new ATOM 0 HZ PHE A 67 -3.642 -12.593 3.662 1.00 41.15 H new ATOM 1025 N LEU A 68 -5.415 -5.762 3.068 1.00 73.23 N ATOM 1026 CA LEU A 68 -5.226 -5.606 1.635 1.00 14.15 C ATOM 1027 C LEU A 68 -4.468 -4.305 1.364 1.00 14.23 C ATOM 1028 O LEU A 68 -4.073 -4.037 0.231 1.00 60.33 O ATOM 1029 CB LEU A 68 -6.567 -5.700 0.905 1.00 74.12 C ATOM 1030 CG LEU A 68 -7.430 -6.918 1.240 1.00 20.45 C ATOM 1031 CD1 LEU A 68 -8.548 -7.099 0.212 1.00 13.51 C ATOM 1032 CD2 LEU A 68 -6.571 -8.177 1.379 1.00 10.14 C ATOM 0 H LEU A 68 -5.971 -5.028 3.507 1.00 73.23 H new ATOM 0 HA LEU A 68 -4.616 -6.419 1.240 1.00 14.15 H new ATOM 0 HB2 LEU A 68 -7.142 -4.801 1.126 1.00 74.12 H new ATOM 0 HB3 LEU A 68 -6.375 -5.700 -0.168 1.00 74.12 H new ATOM 0 HG LEU A 68 -7.906 -6.743 2.205 1.00 20.45 H new ATOM 0 HD11 LEU A 68 -9.146 -7.972 0.474 1.00 13.51 H new ATOM 0 HD12 LEU A 68 -9.183 -6.213 0.205 1.00 13.51 H new ATOM 0 HD13 LEU A 68 -8.113 -7.241 -0.777 1.00 13.51 H new ATOM 0 HD21 LEU A 68 -7.209 -9.028 1.617 1.00 10.14 H new ATOM 0 HD22 LEU A 68 -6.048 -8.366 0.441 1.00 10.14 H new ATOM 0 HD23 LEU A 68 -5.843 -8.034 2.178 1.00 10.14 H new ATOM 1044 N GLN A 69 -4.289 -3.530 2.424 1.00 24.31 N ATOM 1045 CA GLN A 69 -3.585 -2.264 2.315 1.00 50.33 C ATOM 1046 C GLN A 69 -2.083 -2.471 2.522 1.00 14.02 C ATOM 1047 O GLN A 69 -1.312 -1.513 2.497 1.00 23.42 O ATOM 1048 CB GLN A 69 -4.140 -1.241 3.308 1.00 3.20 C ATOM 1049 CG GLN A 69 -5.587 -0.876 2.969 1.00 24.34 C ATOM 1050 CD GLN A 69 -5.971 0.470 3.585 1.00 13.35 C ATOM 1051 OE1 GLN A 69 -5.180 1.133 4.236 1.00 13.13 O ATOM 1052 NE2 GLN A 69 -7.227 0.836 3.345 1.00 50.44 N ATOM 0 H GLN A 69 -4.620 -3.755 3.362 1.00 24.31 H new ATOM 0 HA GLN A 69 -3.742 -1.869 1.311 1.00 50.33 H new ATOM 0 HB2 GLN A 69 -4.091 -1.646 4.319 1.00 3.20 H new ATOM 0 HB3 GLN A 69 -3.522 -0.343 3.294 1.00 3.20 H new ATOM 0 HG2 GLN A 69 -5.711 -0.833 1.887 1.00 24.34 H new ATOM 0 HG3 GLN A 69 -6.258 -1.653 3.337 1.00 24.34 H new ATOM 0 HE21 GLN A 69 -7.837 0.234 2.792 1.00 50.44 H new ATOM 0 HE22 GLN A 69 -7.580 1.719 3.714 1.00 50.44 H new ATOM 1061 N ASN A 70 -1.714 -3.727 2.722 1.00 21.53 N ATOM 1062 CA ASN A 70 -0.318 -4.073 2.934 1.00 54.40 C ATOM 1063 C ASN A 70 0.363 -4.275 1.579 1.00 24.24 C ATOM 1064 O ASN A 70 1.468 -3.782 1.356 1.00 12.33 O ATOM 1065 CB ASN A 70 -0.187 -5.373 3.729 1.00 72.34 C ATOM 1066 CG ASN A 70 -0.596 -6.578 2.879 1.00 21.42 C ATOM 1067 OD1 ASN A 70 0.220 -7.232 2.250 1.00 74.40 O ATOM 1068 ND2 ASN A 70 -1.901 -6.835 2.896 1.00 2.41 N ATOM 0 H ASN A 70 -2.357 -4.518 2.742 1.00 21.53 H new ATOM 0 HA ASN A 70 0.150 -3.262 3.492 1.00 54.40 H new ATOM 0 HB2 ASN A 70 0.842 -5.494 4.068 1.00 72.34 H new ATOM 0 HB3 ASN A 70 -0.812 -5.323 4.621 1.00 72.34 H new ATOM 0 HD21 ASN A 70 -2.273 -7.620 2.361 1.00 2.41 H new ATOM 0 HD22 ASN A 70 -2.529 -6.248 3.444 1.00 2.41 H new ATOM 1075 N PHE A 71 -0.323 -5.002 0.710 1.00 30.32 N ATOM 1076 CA PHE A 71 0.203 -5.276 -0.616 1.00 74.45 C ATOM 1077 C PHE A 71 -0.079 -4.113 -1.569 1.00 54.31 C ATOM 1078 O PHE A 71 0.149 -4.222 -2.773 1.00 34.11 O ATOM 1079 CB PHE A 71 -0.513 -6.527 -1.132 1.00 12.44 C ATOM 1080 CG PHE A 71 -0.366 -7.747 -0.221 1.00 74.30 C ATOM 1081 CD1 PHE A 71 -1.467 -8.308 0.347 1.00 74.41 C ATOM 1082 CD2 PHE A 71 0.865 -8.271 0.021 1.00 62.34 C ATOM 1083 CE1 PHE A 71 -1.331 -9.441 1.192 1.00 32.30 C ATOM 1084 CE2 PHE A 71 1.001 -9.404 0.866 1.00 65.22 C ATOM 1085 CZ PHE A 71 -0.100 -9.965 1.434 1.00 64.33 C ATOM 0 H PHE A 71 -1.239 -5.410 0.898 1.00 30.32 H new ATOM 0 HA PHE A 71 1.283 -5.416 -0.566 1.00 74.45 H new ATOM 0 HB2 PHE A 71 -1.573 -6.303 -1.254 1.00 12.44 H new ATOM 0 HB3 PHE A 71 -0.124 -6.775 -2.120 1.00 12.44 H new ATOM 0 HD1 PHE A 71 -2.445 -7.892 0.155 1.00 74.41 H new ATOM 0 HD2 PHE A 71 1.740 -7.825 -0.430 1.00 62.34 H new ATOM 0 HE1 PHE A 71 -2.206 -9.887 1.643 1.00 32.30 H new ATOM 0 HE2 PHE A 71 1.979 -9.820 1.058 1.00 65.22 H new ATOM 0 HZ PHE A 71 0.003 -10.826 2.077 1.00 64.33 H new ATOM 1095 N LYS A 72 -0.571 -3.025 -0.994 1.00 73.13 N ATOM 1096 CA LYS A 72 -0.887 -1.842 -1.777 1.00 62.32 C ATOM 1097 C LYS A 72 -1.468 -0.767 -0.857 1.00 20.00 C ATOM 1098 O LYS A 72 -1.956 -1.073 0.230 1.00 52.31 O ATOM 1099 CB LYS A 72 -1.798 -2.205 -2.952 1.00 2.42 C ATOM 1100 CG LYS A 72 -1.320 -1.537 -4.243 1.00 2.23 C ATOM 1101 CD LYS A 72 -1.942 -2.206 -5.469 1.00 72.55 C ATOM 1102 CE LYS A 72 -2.203 -1.185 -6.578 1.00 72.24 C ATOM 1103 NZ LYS A 72 -2.295 -1.859 -7.893 1.00 22.32 N ATOM 0 H LYS A 72 -0.759 -2.938 0.005 1.00 73.13 H new ATOM 0 HA LYS A 72 0.017 -1.426 -2.222 1.00 62.32 H new ATOM 0 HB2 LYS A 72 -1.815 -3.287 -3.083 1.00 2.42 H new ATOM 0 HB3 LYS A 72 -2.820 -1.894 -2.734 1.00 2.42 H new ATOM 0 HG2 LYS A 72 -1.583 -0.479 -4.229 1.00 2.23 H new ATOM 0 HG3 LYS A 72 -0.233 -1.594 -4.305 1.00 2.23 H new ATOM 0 HD2 LYS A 72 -1.277 -2.987 -5.838 1.00 72.55 H new ATOM 0 HD3 LYS A 72 -2.877 -2.690 -5.188 1.00 72.55 H new ATOM 0 HE2 LYS A 72 -3.128 -0.646 -6.374 1.00 72.24 H new ATOM 0 HE3 LYS A 72 -1.401 -0.447 -6.597 1.00 72.24 H new ATOM 0 HZ1 LYS A 72 -2.472 -1.151 -8.634 1.00 22.32 H new ATOM 0 HZ2 LYS A 72 -1.402 -2.353 -8.093 1.00 22.32 H new ATOM 0 HZ3 LYS A 72 -3.075 -2.546 -7.877 1.00 22.32 H new ATOM 1116 N ALA A 73 -1.396 0.470 -1.326 1.00 72.12 N ATOM 1117 CA ALA A 73 -1.909 1.592 -0.559 1.00 12.30 C ATOM 1118 C ALA A 73 -3.173 2.130 -1.233 1.00 42.33 C ATOM 1119 O ALA A 73 -3.456 3.326 -1.166 1.00 64.52 O ATOM 1120 CB ALA A 73 -0.821 2.659 -0.425 1.00 3.13 C ATOM 0 H ALA A 73 -0.990 0.720 -2.228 1.00 72.12 H new ATOM 0 HA ALA A 73 -2.181 1.276 0.448 1.00 12.30 H new ATOM 0 HB1 ALA A 73 -1.206 3.501 0.150 1.00 3.13 H new ATOM 0 HB2 ALA A 73 0.043 2.235 0.086 1.00 3.13 H new ATOM 0 HB3 ALA A 73 -0.524 3.002 -1.416 1.00 3.13 H new ATOM 1126 N GLY A 74 -3.899 1.222 -1.868 1.00 30.23 N ATOM 1127 CA GLY A 74 -5.126 1.590 -2.554 1.00 1.13 C ATOM 1128 C GLY A 74 -6.053 0.383 -2.705 1.00 34.43 C ATOM 1129 O GLY A 74 -6.891 0.347 -3.605 1.00 43.30 O ATOM 0 H GLY A 74 -3.661 0.232 -1.922 1.00 30.23 H new ATOM 0 HA2 GLY A 74 -5.636 2.377 -1.998 1.00 1.13 H new ATOM 0 HA3 GLY A 74 -4.889 1.996 -3.537 1.00 1.13 H new ATOM 1133 N ALA A 75 -5.873 -0.578 -1.810 1.00 2.42 N ATOM 1134 CA ALA A 75 -6.683 -1.784 -1.832 1.00 41.43 C ATOM 1135 C ALA A 75 -7.945 -1.561 -0.996 1.00 4.11 C ATOM 1136 O ALA A 75 -8.018 -0.612 -0.217 1.00 41.43 O ATOM 1137 CB ALA A 75 -5.852 -2.966 -1.331 1.00 31.34 C ATOM 0 H ALA A 75 -5.177 -0.545 -1.065 1.00 2.42 H new ATOM 0 HA ALA A 75 -6.999 -2.016 -2.849 1.00 41.43 H new ATOM 0 HB1 ALA A 75 -6.460 -3.871 -1.347 1.00 31.34 H new ATOM 0 HB2 ALA A 75 -4.984 -3.100 -1.976 1.00 31.34 H new ATOM 0 HB3 ALA A 75 -5.519 -2.771 -0.312 1.00 31.34 H new ATOM 1143 N ARG A 76 -8.907 -2.452 -1.185 1.00 65.05 N ATOM 1144 CA ARG A 76 -10.161 -2.365 -0.458 1.00 55.23 C ATOM 1145 C ARG A 76 -10.019 -3.003 0.925 1.00 41.10 C ATOM 1146 O ARG A 76 -9.078 -3.756 1.171 1.00 30.00 O ATOM 1147 CB ARG A 76 -11.289 -3.063 -1.221 1.00 15.14 C ATOM 1148 CG ARG A 76 -11.199 -4.582 -1.063 1.00 74.11 C ATOM 1149 CD ARG A 76 -12.046 -5.062 0.117 1.00 33.14 C ATOM 1150 NE ARG A 76 -12.464 -6.466 -0.097 1.00 51.52 N ATOM 1151 CZ ARG A 76 -13.553 -7.026 0.470 1.00 33.12 C ATOM 1152 NH1 ARG A 76 -13.833 -8.289 0.209 1.00 63.43 N ATOM 1153 NH2 ARG A 76 -14.345 -6.305 1.293 1.00 61.52 N ATOM 0 H ARG A 76 -8.843 -3.238 -1.832 1.00 65.05 H new ATOM 0 HA ARG A 76 -10.409 -1.309 -0.350 1.00 55.23 H new ATOM 0 HB2 ARG A 76 -12.253 -2.712 -0.853 1.00 15.14 H new ATOM 0 HB3 ARG A 76 -11.236 -2.800 -2.277 1.00 15.14 H new ATOM 0 HG2 ARG A 76 -11.537 -5.067 -1.979 1.00 74.11 H new ATOM 0 HG3 ARG A 76 -10.160 -4.875 -0.912 1.00 74.11 H new ATOM 0 HD2 ARG A 76 -11.475 -4.981 1.042 1.00 33.14 H new ATOM 0 HD3 ARG A 76 -12.924 -4.425 0.228 1.00 33.14 H new ATOM 0 HE ARG A 76 -11.893 -7.046 -0.712 1.00 51.52 H new ATOM 0 HH11 ARG A 76 -13.230 -8.827 -0.413 1.00 63.43 H new ATOM 0 HH12 ARG A 76 -14.652 -8.727 0.630 1.00 63.43 H new ATOM 0 HH21 ARG A 76 -14.122 -5.329 1.490 1.00 61.52 H new ATOM 0 HH22 ARG A 76 -15.166 -6.736 1.717 1.00 61.52 H new ATOM 1166 N ALA A 77 -10.967 -2.678 1.792 1.00 62.32 N ATOM 1167 CA ALA A 77 -10.959 -3.210 3.144 1.00 64.41 C ATOM 1168 C ALA A 77 -12.053 -4.272 3.276 1.00 4.12 C ATOM 1169 O ALA A 77 -13.096 -4.177 2.631 1.00 24.12 O ATOM 1170 CB ALA A 77 -11.133 -2.066 4.144 1.00 3.12 C ATOM 0 H ALA A 77 -11.746 -2.053 1.584 1.00 62.32 H new ATOM 0 HA ALA A 77 -10.005 -3.691 3.362 1.00 64.41 H new ATOM 0 HB1 ALA A 77 -11.127 -2.465 5.158 1.00 3.12 H new ATOM 0 HB2 ALA A 77 -10.315 -1.355 4.029 1.00 3.12 H new ATOM 0 HB3 ALA A 77 -12.081 -1.561 3.958 1.00 3.12 H new ATOM 1176 N LEU A 78 -11.777 -5.258 4.117 1.00 62.34 N ATOM 1177 CA LEU A 78 -12.725 -6.337 4.342 1.00 45.53 C ATOM 1178 C LEU A 78 -13.916 -5.804 5.141 1.00 25.32 C ATOM 1179 O LEU A 78 -13.798 -4.802 5.845 1.00 65.24 O ATOM 1180 CB LEU A 78 -12.030 -7.533 4.996 1.00 41.50 C ATOM 1181 CG LEU A 78 -10.921 -8.195 4.176 1.00 60.10 C ATOM 1182 CD1 LEU A 78 -11.383 -8.460 2.742 1.00 75.30 C ATOM 1183 CD2 LEU A 78 -9.636 -7.365 4.220 1.00 73.23 C ATOM 0 H LEU A 78 -10.911 -5.333 4.651 1.00 62.34 H new ATOM 0 HA LEU A 78 -13.116 -6.706 3.394 1.00 45.53 H new ATOM 0 HB2 LEU A 78 -11.607 -7.207 5.946 1.00 41.50 H new ATOM 0 HB3 LEU A 78 -12.784 -8.286 5.225 1.00 41.50 H new ATOM 0 HG LEU A 78 -10.695 -9.162 4.625 1.00 60.10 H new ATOM 0 HD11 LEU A 78 -10.576 -8.931 2.181 1.00 75.30 H new ATOM 0 HD12 LEU A 78 -12.250 -9.121 2.755 1.00 75.30 H new ATOM 0 HD13 LEU A 78 -11.653 -7.517 2.267 1.00 75.30 H new ATOM 0 HD21 LEU A 78 -8.864 -7.858 3.629 1.00 73.23 H new ATOM 0 HD22 LEU A 78 -9.829 -6.374 3.810 1.00 73.23 H new ATOM 0 HD23 LEU A 78 -9.298 -7.271 5.252 1.00 73.23 H new ATOM 1195 N SER A 79 -15.036 -6.499 5.006 1.00 2.32 N ATOM 1196 CA SER A 79 -16.247 -6.108 5.707 1.00 33.52 C ATOM 1197 C SER A 79 -16.069 -6.311 7.213 1.00 21.42 C ATOM 1198 O SER A 79 -14.997 -6.708 7.667 1.00 5.41 O ATOM 1199 CB SER A 79 -17.455 -6.902 5.204 1.00 64.10 C ATOM 1200 OG SER A 79 -18.665 -6.490 5.834 1.00 24.10 O ATOM 0 H SER A 79 -15.130 -7.330 4.422 1.00 2.32 H new ATOM 0 HA SER A 79 -16.431 -5.052 5.508 1.00 33.52 H new ATOM 0 HB2 SER A 79 -17.547 -6.777 4.125 1.00 64.10 H new ATOM 0 HB3 SER A 79 -17.293 -7.964 5.389 1.00 64.10 H new ATOM 0 HG SER A 79 -18.758 -5.517 5.758 1.00 24.10 H new ATOM 1206 N ASP A 80 -17.136 -6.031 7.946 1.00 12.32 N ATOM 1207 CA ASP A 80 -17.111 -6.177 9.392 1.00 71.44 C ATOM 1208 C ASP A 80 -17.101 -7.665 9.749 1.00 73.12 C ATOM 1209 O ASP A 80 -16.644 -8.046 10.826 1.00 55.35 O ATOM 1210 CB ASP A 80 -18.349 -5.546 10.031 1.00 54.11 C ATOM 1211 CG ASP A 80 -18.331 -4.018 10.104 1.00 11.22 C ATOM 1212 OD1 ASP A 80 -18.761 -3.328 9.168 1.00 73.33 O ATOM 1213 OD2 ASP A 80 -17.843 -3.530 11.194 1.00 31.12 O ATOM 0 H ASP A 80 -18.024 -5.704 7.566 1.00 12.32 H new ATOM 0 HA ASP A 80 -16.218 -5.677 9.766 1.00 71.44 H new ATOM 0 HB2 ASP A 80 -19.229 -5.858 9.468 1.00 54.11 H new ATOM 0 HB3 ASP A 80 -18.460 -5.942 11.041 1.00 54.11 H new ATOM 1219 N ALA A 81 -17.611 -8.466 8.825 1.00 62.24 N ATOM 1220 CA ALA A 81 -17.666 -9.904 9.028 1.00 15.24 C ATOM 1221 C ALA A 81 -16.358 -10.534 8.546 1.00 12.14 C ATOM 1222 O ALA A 81 -15.756 -11.340 9.254 1.00 43.13 O ATOM 1223 CB ALA A 81 -18.889 -10.475 8.307 1.00 11.23 C ATOM 0 H ALA A 81 -17.990 -8.146 7.934 1.00 62.24 H new ATOM 0 HA ALA A 81 -17.773 -10.138 10.087 1.00 15.24 H new ATOM 0 HB1 ALA A 81 -18.930 -11.554 8.459 1.00 11.23 H new ATOM 0 HB2 ALA A 81 -19.794 -10.017 8.707 1.00 11.23 H new ATOM 0 HB3 ALA A 81 -18.815 -10.262 7.241 1.00 11.23 H new ATOM 1229 N GLU A 82 -15.957 -10.143 7.346 1.00 53.42 N ATOM 1230 CA GLU A 82 -14.732 -10.659 6.761 1.00 65.01 C ATOM 1231 C GLU A 82 -13.543 -10.375 7.682 1.00 51.54 C ATOM 1232 O GLU A 82 -12.575 -11.133 7.705 1.00 74.55 O ATOM 1233 CB GLU A 82 -14.499 -10.071 5.368 1.00 63.33 C ATOM 1234 CG GLU A 82 -15.429 -10.716 4.338 1.00 10.12 C ATOM 1235 CD GLU A 82 -15.444 -9.914 3.035 1.00 61.30 C ATOM 1236 OE1 GLU A 82 -15.484 -10.504 1.945 1.00 50.11 O ATOM 1237 OE2 GLU A 82 -15.413 -8.633 3.183 1.00 73.14 O ATOM 0 H GLU A 82 -16.459 -9.474 6.762 1.00 53.42 H new ATOM 0 HA GLU A 82 -14.832 -11.739 6.651 1.00 65.01 H new ATOM 0 HB2 GLU A 82 -14.667 -8.994 5.391 1.00 63.33 H new ATOM 0 HB3 GLU A 82 -13.461 -10.225 5.073 1.00 63.33 H new ATOM 0 HG2 GLU A 82 -15.103 -11.737 4.137 1.00 10.12 H new ATOM 0 HG3 GLU A 82 -16.439 -10.778 4.743 1.00 10.12 H new ATOM 1245 N THR A 83 -13.655 -9.279 8.418 1.00 12.02 N ATOM 1246 CA THR A 83 -12.602 -8.885 9.338 1.00 1.24 C ATOM 1247 C THR A 83 -12.812 -9.544 10.703 1.00 1.31 C ATOM 1248 O THR A 83 -11.900 -9.576 11.528 1.00 62.44 O ATOM 1249 CB THR A 83 -12.575 -7.356 9.399 1.00 22.33 C ATOM 1250 OG1 THR A 83 -12.126 -6.965 8.104 1.00 34.25 O ATOM 1251 CG2 THR A 83 -11.494 -6.827 10.344 1.00 43.14 C ATOM 0 H THR A 83 -14.459 -8.652 8.396 1.00 12.02 H new ATOM 0 HA THR A 83 -11.627 -9.228 8.993 1.00 1.24 H new ATOM 0 HB THR A 83 -13.549 -6.988 9.720 1.00 22.33 H new ATOM 0 HG1 THR A 83 -12.897 -6.725 7.549 1.00 34.25 H new ATOM 0 HG21 THR A 83 -11.518 -5.737 10.350 1.00 43.14 H new ATOM 0 HG22 THR A 83 -11.677 -7.200 11.352 1.00 43.14 H new ATOM 0 HG23 THR A 83 -10.516 -7.167 10.004 1.00 43.14 H new ATOM 1259 N LYS A 84 -14.019 -10.052 10.899 1.00 35.33 N ATOM 1260 CA LYS A 84 -14.361 -10.709 12.150 1.00 50.50 C ATOM 1261 C LYS A 84 -13.756 -12.114 12.166 1.00 43.45 C ATOM 1262 O LYS A 84 -12.880 -12.407 12.978 1.00 32.21 O ATOM 1263 CB LYS A 84 -15.875 -10.689 12.369 1.00 11.34 C ATOM 1264 CG LYS A 84 -16.295 -9.463 13.184 1.00 70.23 C ATOM 1265 CD LYS A 84 -17.782 -9.160 12.991 1.00 73.30 C ATOM 1266 CE LYS A 84 -18.633 -9.915 14.015 1.00 4.52 C ATOM 1267 NZ LYS A 84 -18.778 -11.334 13.624 1.00 64.45 N ATOM 0 H LYS A 84 -14.773 -10.022 10.213 1.00 35.33 H new ATOM 0 HA LYS A 84 -13.933 -10.168 12.994 1.00 50.50 H new ATOM 0 HB2 LYS A 84 -16.385 -10.682 11.406 1.00 11.34 H new ATOM 0 HB3 LYS A 84 -16.183 -11.597 12.887 1.00 11.34 H new ATOM 0 HG2 LYS A 84 -16.090 -9.636 14.240 1.00 70.23 H new ATOM 0 HG3 LYS A 84 -15.702 -8.600 12.881 1.00 70.23 H new ATOM 0 HD2 LYS A 84 -17.954 -8.088 13.089 1.00 73.30 H new ATOM 0 HD3 LYS A 84 -18.086 -9.441 11.983 1.00 73.30 H new ATOM 0 HE2 LYS A 84 -18.171 -9.849 15.000 1.00 4.52 H new ATOM 0 HE3 LYS A 84 -19.616 -9.451 14.092 1.00 4.52 H new ATOM 0 HZ1 LYS A 84 -19.682 -11.703 13.983 1.00 64.45 H new ATOM 0 HZ2 LYS A 84 -18.760 -11.412 12.587 1.00 64.45 H new ATOM 0 HZ3 LYS A 84 -17.994 -11.887 14.026 1.00 64.45 H new ATOM 1280 N ALA A 85 -14.246 -12.945 11.258 1.00 54.32 N ATOM 1281 CA ALA A 85 -13.765 -14.312 11.157 1.00 42.10 C ATOM 1282 C ALA A 85 -12.235 -14.312 11.176 1.00 1.15 C ATOM 1283 O ALA A 85 -11.619 -15.152 11.831 1.00 42.23 O ATOM 1284 CB ALA A 85 -14.332 -14.961 9.893 1.00 62.11 C ATOM 0 H ALA A 85 -14.972 -12.698 10.585 1.00 54.32 H new ATOM 0 HA ALA A 85 -14.106 -14.903 12.007 1.00 42.10 H new ATOM 0 HB1 ALA A 85 -13.971 -15.987 9.817 1.00 62.11 H new ATOM 0 HB2 ALA A 85 -15.421 -14.962 9.942 1.00 62.11 H new ATOM 0 HB3 ALA A 85 -14.009 -14.397 9.018 1.00 62.11 H new ATOM 1290 N PHE A 86 -11.666 -13.360 10.451 1.00 23.33 N ATOM 1291 CA PHE A 86 -10.220 -13.240 10.377 1.00 4.21 C ATOM 1292 C PHE A 86 -9.615 -13.032 11.767 1.00 65.10 C ATOM 1293 O PHE A 86 -8.514 -13.506 12.046 1.00 34.22 O ATOM 1294 CB PHE A 86 -9.917 -12.014 9.514 1.00 43.34 C ATOM 1295 CG PHE A 86 -8.604 -12.111 8.734 1.00 41.14 C ATOM 1296 CD1 PHE A 86 -8.366 -11.266 7.695 1.00 40.21 C ATOM 1297 CD2 PHE A 86 -7.675 -13.042 9.079 1.00 71.31 C ATOM 1298 CE1 PHE A 86 -7.148 -11.356 6.971 1.00 62.00 C ATOM 1299 CE2 PHE A 86 -6.457 -13.133 8.355 1.00 42.40 C ATOM 1300 CZ PHE A 86 -6.219 -12.287 7.316 1.00 21.53 C ATOM 0 H PHE A 86 -12.180 -12.665 9.910 1.00 23.33 H new ATOM 0 HA PHE A 86 -9.792 -14.150 9.956 1.00 4.21 H new ATOM 0 HB2 PHE A 86 -10.736 -11.867 8.810 1.00 43.34 H new ATOM 0 HB3 PHE A 86 -9.884 -11.132 10.153 1.00 43.34 H new ATOM 0 HD1 PHE A 86 -9.104 -10.526 7.421 1.00 40.21 H new ATOM 0 HD2 PHE A 86 -7.864 -13.713 9.904 1.00 71.31 H new ATOM 0 HE1 PHE A 86 -6.959 -10.685 6.146 1.00 62.00 H new ATOM 0 HE2 PHE A 86 -5.720 -13.873 8.629 1.00 42.40 H new ATOM 0 HZ PHE A 86 -5.292 -12.355 6.766 1.00 21.53 H new ATOM 1310 N LEU A 87 -10.360 -12.323 12.602 1.00 61.12 N ATOM 1311 CA LEU A 87 -9.911 -12.047 13.956 1.00 42.21 C ATOM 1312 C LEU A 87 -9.896 -13.349 14.759 1.00 13.34 C ATOM 1313 O LEU A 87 -8.844 -13.784 15.223 1.00 23.35 O ATOM 1314 CB LEU A 87 -10.762 -10.943 14.588 1.00 63.50 C ATOM 1315 CG LEU A 87 -10.335 -10.484 15.984 1.00 71.03 C ATOM 1316 CD1 LEU A 87 -8.879 -10.015 15.985 1.00 11.51 C ATOM 1317 CD2 LEU A 87 -11.284 -9.411 16.521 1.00 1.05 C ATOM 0 H LEU A 87 -11.272 -11.931 12.367 1.00 61.12 H new ATOM 0 HA LEU A 87 -8.890 -11.665 13.949 1.00 42.21 H new ATOM 0 HB2 LEU A 87 -10.752 -10.079 13.924 1.00 63.50 H new ATOM 0 HB3 LEU A 87 -11.793 -11.292 14.641 1.00 63.50 H new ATOM 0 HG LEU A 87 -10.398 -11.337 16.659 1.00 71.03 H new ATOM 0 HD11 LEU A 87 -8.601 -9.694 16.989 1.00 11.51 H new ATOM 0 HD12 LEU A 87 -8.232 -10.835 15.674 1.00 11.51 H new ATOM 0 HD13 LEU A 87 -8.765 -9.181 15.293 1.00 11.51 H new ATOM 0 HD21 LEU A 87 -10.959 -9.102 17.514 1.00 1.05 H new ATOM 0 HD22 LEU A 87 -11.276 -8.550 15.852 1.00 1.05 H new ATOM 0 HD23 LEU A 87 -12.295 -9.815 16.580 1.00 1.05 H new ATOM 1329 N LYS A 88 -11.077 -13.934 14.899 1.00 1.40 N ATOM 1330 CA LYS A 88 -11.213 -15.177 15.638 1.00 32.14 C ATOM 1331 C LYS A 88 -10.427 -16.279 14.925 1.00 52.34 C ATOM 1332 O LYS A 88 -10.099 -17.301 15.525 1.00 3.43 O ATOM 1333 CB LYS A 88 -12.690 -15.515 15.851 1.00 13.31 C ATOM 1334 CG LYS A 88 -13.207 -14.914 17.160 1.00 51.21 C ATOM 1335 CD LYS A 88 -13.941 -13.596 16.906 1.00 40.52 C ATOM 1336 CE LYS A 88 -12.996 -12.403 17.065 1.00 14.44 C ATOM 1337 NZ LYS A 88 -12.364 -12.418 18.404 1.00 52.44 N ATOM 0 H LYS A 88 -11.948 -13.570 14.513 1.00 1.40 H new ATOM 0 HA LYS A 88 -10.786 -15.075 16.636 1.00 32.14 H new ATOM 0 HB2 LYS A 88 -13.278 -15.135 15.015 1.00 13.31 H new ATOM 0 HB3 LYS A 88 -12.820 -16.597 15.867 1.00 13.31 H new ATOM 0 HG2 LYS A 88 -13.879 -15.620 17.648 1.00 51.21 H new ATOM 0 HG3 LYS A 88 -12.373 -14.744 17.841 1.00 51.21 H new ATOM 0 HD2 LYS A 88 -14.363 -13.599 15.901 1.00 40.52 H new ATOM 0 HD3 LYS A 88 -14.774 -13.500 17.602 1.00 40.52 H new ATOM 0 HE2 LYS A 88 -12.227 -12.435 16.293 1.00 14.44 H new ATOM 0 HE3 LYS A 88 -13.548 -11.473 16.927 1.00 14.44 H new ATOM 0 HZ1 LYS A 88 -12.145 -11.444 18.696 1.00 52.44 H new ATOM 0 HZ2 LYS A 88 -13.016 -12.847 19.091 1.00 52.44 H new ATOM 0 HZ3 LYS A 88 -11.486 -12.974 18.367 1.00 52.44 H new ATOM 1350 N ALA A 89 -10.148 -16.033 13.653 1.00 73.21 N ATOM 1351 CA ALA A 89 -9.407 -16.992 12.851 1.00 40.42 C ATOM 1352 C ALA A 89 -7.994 -17.141 13.419 1.00 34.32 C ATOM 1353 O ALA A 89 -7.638 -18.200 13.935 1.00 43.25 O ATOM 1354 CB ALA A 89 -9.402 -16.539 11.389 1.00 34.23 C ATOM 0 H ALA A 89 -10.422 -15.184 13.158 1.00 73.21 H new ATOM 0 HA ALA A 89 -9.883 -17.972 12.888 1.00 40.42 H new ATOM 0 HB1 ALA A 89 -8.846 -17.258 10.787 1.00 34.23 H new ATOM 0 HB2 ALA A 89 -10.427 -16.476 11.024 1.00 34.23 H new ATOM 0 HB3 ALA A 89 -8.929 -15.560 11.313 1.00 34.23 H new ATOM 1360 N GLY A 90 -7.228 -16.066 13.306 1.00 35.22 N ATOM 1361 CA GLY A 90 -5.863 -16.065 13.802 1.00 2.44 C ATOM 1362 C GLY A 90 -5.830 -15.845 15.316 1.00 3.12 C ATOM 1363 O GLY A 90 -5.160 -16.581 16.039 1.00 3.33 O ATOM 0 H GLY A 90 -7.527 -15.190 12.878 1.00 35.22 H new ATOM 0 HA2 GLY A 90 -5.383 -17.013 13.558 1.00 2.44 H new ATOM 0 HA3 GLY A 90 -5.292 -15.281 13.304 1.00 2.44 H new ATOM 1367 N ASP A 91 -6.561 -14.829 15.751 1.00 74.52 N ATOM 1368 CA ASP A 91 -6.624 -14.504 17.165 1.00 12.35 C ATOM 1369 C ASP A 91 -7.332 -15.635 17.914 1.00 54.21 C ATOM 1370 O ASP A 91 -8.540 -15.574 18.140 1.00 40.24 O ATOM 1371 CB ASP A 91 -7.415 -13.215 17.399 1.00 5.32 C ATOM 1372 CG ASP A 91 -6.956 -12.383 18.599 1.00 65.42 C ATOM 1373 OD1 ASP A 91 -5.765 -12.366 18.946 1.00 52.22 O ATOM 1374 OD2 ASP A 91 -7.891 -11.725 19.195 1.00 4.34 O ATOM 0 H ASP A 91 -7.115 -14.220 15.148 1.00 74.52 H new ATOM 0 HA ASP A 91 -5.604 -14.373 17.526 1.00 12.35 H new ATOM 0 HB2 ASP A 91 -7.350 -12.599 16.502 1.00 5.32 H new ATOM 0 HB3 ASP A 91 -8.466 -13.471 17.534 1.00 5.32 H new ATOM 1380 N SER A 92 -6.551 -16.641 18.278 1.00 43.40 N ATOM 1381 CA SER A 92 -7.088 -17.784 18.996 1.00 2.23 C ATOM 1382 C SER A 92 -7.142 -17.482 20.495 1.00 2.22 C ATOM 1383 O SER A 92 -7.461 -18.300 21.336 1.00 50.55 O ATOM 1384 CB SER A 92 -6.252 -19.039 18.738 1.00 73.05 C ATOM 1385 OG SER A 92 -6.970 -20.012 17.983 1.00 42.23 O ATOM 0 H SER A 92 -5.550 -16.688 18.089 1.00 43.40 H new ATOM 0 HA SER A 92 -8.098 -17.972 18.633 1.00 2.23 H new ATOM 0 HB2 SER A 92 -5.342 -18.765 18.204 1.00 73.05 H new ATOM 0 HB3 SER A 92 -5.945 -19.473 19.690 1.00 73.05 H new ATOM 0 HG SER A 92 -6.402 -20.797 17.838 1.00 42.23 H new ATOM 1391 N ASP A 93 -6.816 -16.262 20.824 1.00 61.22 N ATOM 1392 CA ASP A 93 -6.835 -15.842 22.253 1.00 1.51 C ATOM 1393 C ASP A 93 -7.782 -14.651 22.436 1.00 32.20 C ATOM 1394 O ASP A 93 -7.901 -14.178 23.565 1.00 5.12 O ATOM 1395 CB ASP A 93 -5.394 -15.434 22.565 1.00 74.30 C ATOM 1396 CG ASP A 93 -4.795 -14.710 21.359 1.00 50.14 C ATOM 1397 OD1 ASP A 93 -5.493 -13.899 20.771 1.00 33.42 O ATOM 1398 OD2 ASP A 93 -3.648 -14.978 21.040 1.00 50.22 O ATOM 0 H ASP A 93 -6.537 -15.537 20.163 1.00 61.22 H new ATOM 0 HA ASP A 93 -7.185 -16.634 22.914 1.00 1.51 H new ATOM 0 HB2 ASP A 93 -5.370 -14.785 23.440 1.00 74.30 H new ATOM 0 HB3 ASP A 93 -4.799 -16.315 22.805 1.00 74.30 H new ATOM 1403 N GLY A 94 -8.415 -14.200 21.363 1.00 2.30 N ATOM 1404 CA GLY A 94 -9.326 -13.071 21.451 1.00 72.51 C ATOM 1405 C GLY A 94 -8.812 -12.027 22.444 1.00 32.54 C ATOM 1406 O GLY A 94 -9.387 -11.850 23.517 1.00 31.53 O ATOM 0 H GLY A 94 -8.315 -14.596 20.428 1.00 2.30 H new ATOM 0 HA2 GLY A 94 -9.443 -12.616 20.467 1.00 72.51 H new ATOM 0 HA3 GLY A 94 -10.312 -13.418 21.761 1.00 72.51 H new ATOM 1410 N ASP A 95 -7.735 -11.363 22.052 1.00 72.44 N ATOM 1411 CA ASP A 95 -7.137 -10.342 22.894 1.00 12.32 C ATOM 1412 C ASP A 95 -7.591 -8.961 22.415 1.00 74.51 C ATOM 1413 O ASP A 95 -7.577 -7.999 23.180 1.00 11.15 O ATOM 1414 CB ASP A 95 -5.610 -10.390 22.818 1.00 0.42 C ATOM 1415 CG ASP A 95 -4.984 -11.727 23.218 1.00 33.30 C ATOM 1416 OD1 ASP A 95 -3.757 -11.897 23.173 1.00 62.10 O ATOM 1417 OD2 ASP A 95 -5.824 -12.631 23.594 1.00 73.54 O ATOM 0 H ASP A 95 -7.261 -11.513 21.161 1.00 72.44 H new ATOM 0 HA ASP A 95 -7.453 -10.525 23.921 1.00 12.32 H new ATOM 0 HB2 ASP A 95 -5.304 -10.154 21.799 1.00 0.42 H new ATOM 0 HB3 ASP A 95 -5.205 -9.609 23.462 1.00 0.42 H new ATOM 1423 N GLY A 96 -7.984 -8.909 21.150 1.00 4.15 N ATOM 1424 CA GLY A 96 -8.441 -7.663 20.560 1.00 52.40 C ATOM 1425 C GLY A 96 -7.677 -7.353 19.271 1.00 24.23 C ATOM 1426 O GLY A 96 -8.047 -6.446 18.528 1.00 75.22 O ATOM 0 H GLY A 96 -7.995 -9.710 20.518 1.00 4.15 H new ATOM 0 HA2 GLY A 96 -9.508 -7.727 20.348 1.00 52.40 H new ATOM 0 HA3 GLY A 96 -8.306 -6.849 21.272 1.00 52.40 H new ATOM 1430 N LYS A 97 -6.623 -8.125 19.046 1.00 12.42 N ATOM 1431 CA LYS A 97 -5.803 -7.944 17.860 1.00 33.43 C ATOM 1432 C LYS A 97 -5.069 -9.250 17.550 1.00 72.43 C ATOM 1433 O LYS A 97 -5.028 -10.156 18.381 1.00 72.33 O ATOM 1434 CB LYS A 97 -4.873 -6.741 18.030 1.00 71.42 C ATOM 1435 CG LYS A 97 -4.202 -6.756 19.405 1.00 74.51 C ATOM 1436 CD LYS A 97 -5.006 -5.936 20.416 1.00 71.21 C ATOM 1437 CE LYS A 97 -5.042 -6.630 21.779 1.00 13.43 C ATOM 1438 NZ LYS A 97 -3.774 -6.406 22.508 1.00 22.03 N ATOM 0 H LYS A 97 -6.319 -8.877 19.665 1.00 12.42 H new ATOM 0 HA LYS A 97 -6.427 -7.715 16.996 1.00 33.43 H new ATOM 0 HB2 LYS A 97 -4.112 -6.752 17.250 1.00 71.42 H new ATOM 0 HB3 LYS A 97 -5.440 -5.818 17.908 1.00 71.42 H new ATOM 0 HG2 LYS A 97 -4.108 -7.783 19.757 1.00 74.51 H new ATOM 0 HG3 LYS A 97 -3.192 -6.353 19.325 1.00 74.51 H new ATOM 0 HD2 LYS A 97 -4.564 -4.945 20.520 1.00 71.21 H new ATOM 0 HD3 LYS A 97 -6.023 -5.795 20.049 1.00 71.21 H new ATOM 0 HE2 LYS A 97 -5.878 -6.249 22.366 1.00 13.43 H new ATOM 0 HE3 LYS A 97 -5.208 -7.699 21.645 1.00 13.43 H new ATOM 0 HZ1 LYS A 97 -3.608 -7.194 23.166 1.00 22.03 H new ATOM 0 HZ2 LYS A 97 -2.988 -6.350 21.829 1.00 22.03 H new ATOM 0 HZ3 LYS A 97 -3.833 -5.516 23.042 1.00 22.03 H new ATOM 1451 N ILE A 98 -4.508 -9.306 16.351 1.00 42.31 N ATOM 1452 CA ILE A 98 -3.777 -10.486 15.920 1.00 15.33 C ATOM 1453 C ILE A 98 -2.279 -10.177 15.908 1.00 11.42 C ATOM 1454 O ILE A 98 -1.849 -9.195 15.305 1.00 11.42 O ATOM 1455 CB ILE A 98 -4.313 -10.987 14.577 1.00 1.24 C ATOM 1456 CG1 ILE A 98 -5.591 -11.806 14.768 1.00 22.41 C ATOM 1457 CG2 ILE A 98 -3.240 -11.767 13.816 1.00 65.30 C ATOM 1458 CD1 ILE A 98 -6.002 -12.492 13.464 1.00 51.15 C ATOM 0 H ILE A 98 -4.545 -8.553 15.664 1.00 42.31 H new ATOM 0 HA ILE A 98 -3.928 -11.305 16.623 1.00 15.33 H new ATOM 0 HB ILE A 98 -4.574 -10.121 13.968 1.00 1.24 H new ATOM 0 HG12 ILE A 98 -5.434 -12.555 15.544 1.00 22.41 H new ATOM 0 HG13 ILE A 98 -6.396 -11.156 15.111 1.00 22.41 H new ATOM 0 HG21 ILE A 98 -3.646 -12.112 12.865 1.00 65.30 H new ATOM 0 HG22 ILE A 98 -2.383 -11.120 13.631 1.00 65.30 H new ATOM 0 HG23 ILE A 98 -2.925 -12.626 14.409 1.00 65.30 H new ATOM 0 HD11 ILE A 98 -6.913 -13.068 13.627 1.00 51.15 H new ATOM 0 HD12 ILE A 98 -6.181 -11.738 12.697 1.00 51.15 H new ATOM 0 HD13 ILE A 98 -5.205 -13.160 13.137 1.00 51.15 H new ATOM 1470 N GLY A 99 -1.525 -11.033 16.581 1.00 32.34 N ATOM 1471 CA GLY A 99 -0.084 -10.864 16.656 1.00 60.13 C ATOM 1472 C GLY A 99 0.621 -11.688 15.576 1.00 2.32 C ATOM 1473 O GLY A 99 -0.015 -12.157 14.634 1.00 41.12 O ATOM 0 H GLY A 99 -1.885 -11.847 17.080 1.00 32.34 H new ATOM 0 HA2 GLY A 99 0.169 -9.810 16.538 1.00 60.13 H new ATOM 0 HA3 GLY A 99 0.271 -11.169 17.641 1.00 60.13 H new ATOM 1477 N ILE A 100 1.926 -11.838 15.750 1.00 61.31 N ATOM 1478 CA ILE A 100 2.725 -12.597 14.802 1.00 34.13 C ATOM 1479 C ILE A 100 2.581 -14.091 15.102 1.00 3.41 C ATOM 1480 O ILE A 100 2.418 -14.898 14.189 1.00 55.24 O ATOM 1481 CB ILE A 100 4.173 -12.105 14.807 1.00 3.04 C ATOM 1482 CG1 ILE A 100 4.795 -12.216 13.414 1.00 51.03 C ATOM 1483 CG2 ILE A 100 4.999 -12.842 15.864 1.00 71.13 C ATOM 1484 CD1 ILE A 100 4.769 -13.662 12.916 1.00 62.45 C ATOM 0 H ILE A 100 2.450 -11.447 16.533 1.00 61.31 H new ATOM 0 HA ILE A 100 2.363 -12.439 13.786 1.00 34.13 H new ATOM 0 HB ILE A 100 4.174 -11.049 15.076 1.00 3.04 H new ATOM 0 HG12 ILE A 100 4.252 -11.578 12.717 1.00 51.03 H new ATOM 0 HG13 ILE A 100 5.823 -11.855 13.441 1.00 51.03 H new ATOM 0 HG21 ILE A 100 6.025 -12.473 15.847 1.00 71.13 H new ATOM 0 HG22 ILE A 100 4.567 -12.668 16.850 1.00 71.13 H new ATOM 0 HG23 ILE A 100 4.994 -13.911 15.650 1.00 71.13 H new ATOM 0 HD11 ILE A 100 5.217 -13.713 11.924 1.00 62.45 H new ATOM 0 HD12 ILE A 100 5.334 -14.293 13.602 1.00 62.45 H new ATOM 0 HD13 ILE A 100 3.738 -14.011 12.867 1.00 62.45 H new ATOM 1496 N ASP A 101 2.648 -14.413 16.385 1.00 2.14 N ATOM 1497 CA ASP A 101 2.528 -15.795 16.817 1.00 20.21 C ATOM 1498 C ASP A 101 1.183 -16.355 16.351 1.00 71.43 C ATOM 1499 O ASP A 101 1.032 -17.566 16.191 1.00 43.32 O ATOM 1500 CB ASP A 101 2.582 -15.902 18.342 1.00 35.43 C ATOM 1501 CG ASP A 101 3.515 -14.903 19.029 1.00 55.34 C ATOM 1502 OD1 ASP A 101 4.614 -14.613 18.535 1.00 44.33 O ATOM 1503 OD2 ASP A 101 3.066 -14.406 20.131 1.00 34.45 O ATOM 0 H ASP A 101 2.784 -13.740 17.140 1.00 2.14 H new ATOM 0 HA ASP A 101 3.357 -16.356 16.387 1.00 20.21 H new ATOM 0 HB2 ASP A 101 1.575 -15.766 18.736 1.00 35.43 H new ATOM 0 HB3 ASP A 101 2.895 -16.911 18.609 1.00 35.43 H new ATOM 1509 N GLU A 102 0.239 -15.448 16.145 1.00 23.35 N ATOM 1510 CA GLU A 102 -1.088 -15.837 15.701 1.00 53.35 C ATOM 1511 C GLU A 102 -1.169 -15.798 14.173 1.00 2.41 C ATOM 1512 O GLU A 102 -1.619 -16.756 13.547 1.00 24.10 O ATOM 1513 CB GLU A 102 -2.160 -14.944 16.329 1.00 32.21 C ATOM 1514 CG GLU A 102 -2.328 -15.255 17.818 1.00 52.52 C ATOM 1515 CD GLU A 102 -2.708 -13.996 18.601 1.00 73.03 C ATOM 1516 OE1 GLU A 102 -1.791 -13.186 18.853 1.00 45.44 O ATOM 1517 OE2 GLU A 102 -3.908 -13.873 18.929 1.00 10.14 O ATOM 0 H GLU A 102 0.367 -14.445 16.278 1.00 23.35 H new ATOM 0 HA GLU A 102 -1.275 -16.859 16.030 1.00 53.35 H new ATOM 0 HB2 GLU A 102 -1.887 -13.897 16.201 1.00 32.21 H new ATOM 0 HB3 GLU A 102 -3.109 -15.091 15.814 1.00 32.21 H new ATOM 0 HG2 GLU A 102 -3.097 -16.016 17.950 1.00 52.52 H new ATOM 0 HG3 GLU A 102 -1.400 -15.668 18.214 1.00 52.52 H new ATOM 1524 N PHE A 103 -0.726 -14.679 13.617 1.00 22.45 N ATOM 1525 CA PHE A 103 -0.742 -14.503 12.175 1.00 12.13 C ATOM 1526 C PHE A 103 0.050 -15.611 11.478 1.00 33.12 C ATOM 1527 O PHE A 103 -0.263 -15.986 10.349 1.00 21.33 O ATOM 1528 CB PHE A 103 -0.078 -13.156 11.882 1.00 31.10 C ATOM 1529 CG PHE A 103 0.176 -12.898 10.395 1.00 31.24 C ATOM 1530 CD1 PHE A 103 -0.860 -12.578 9.574 1.00 2.02 C ATOM 1531 CD2 PHE A 103 1.437 -12.989 9.895 1.00 23.23 C ATOM 1532 CE1 PHE A 103 -0.624 -12.339 8.195 1.00 51.35 C ATOM 1533 CE2 PHE A 103 1.673 -12.750 8.516 1.00 50.14 C ATOM 1534 CZ PHE A 103 0.637 -12.430 7.694 1.00 3.33 C ATOM 0 H PHE A 103 -0.354 -13.886 14.139 1.00 22.45 H new ATOM 0 HA PHE A 103 -1.767 -14.540 11.807 1.00 12.13 H new ATOM 0 HB2 PHE A 103 -0.708 -12.359 12.276 1.00 31.10 H new ATOM 0 HB3 PHE A 103 0.871 -13.106 12.416 1.00 31.10 H new ATOM 0 HD1 PHE A 103 -1.862 -12.506 9.971 1.00 2.02 H new ATOM 0 HD2 PHE A 103 2.259 -13.243 10.547 1.00 23.23 H new ATOM 0 HE1 PHE A 103 -1.447 -12.085 7.543 1.00 51.35 H new ATOM 0 HE2 PHE A 103 2.675 -12.822 8.119 1.00 50.14 H new ATOM 0 HZ PHE A 103 0.816 -12.248 6.645 1.00 3.33 H new ATOM 1544 N ALA A 104 1.060 -16.104 12.180 1.00 53.21 N ATOM 1545 CA ALA A 104 1.899 -17.161 11.643 1.00 72.54 C ATOM 1546 C ALA A 104 1.254 -18.517 11.937 1.00 72.31 C ATOM 1547 O ALA A 104 1.658 -19.536 11.378 1.00 4.40 O ATOM 1548 CB ALA A 104 3.306 -17.045 12.231 1.00 23.40 C ATOM 0 H ALA A 104 1.316 -15.791 13.116 1.00 53.21 H new ATOM 0 HA ALA A 104 1.990 -17.067 10.561 1.00 72.54 H new ATOM 0 HB1 ALA A 104 3.935 -17.838 11.828 1.00 23.40 H new ATOM 0 HB2 ALA A 104 3.731 -16.076 11.969 1.00 23.40 H new ATOM 0 HB3 ALA A 104 3.256 -17.138 13.316 1.00 23.40 H new ATOM 1554 N ALA A 105 0.261 -18.487 12.814 1.00 42.41 N ATOM 1555 CA ALA A 105 -0.444 -19.701 13.189 1.00 3.52 C ATOM 1556 C ALA A 105 -1.555 -19.974 12.174 1.00 60.52 C ATOM 1557 O ALA A 105 -1.662 -21.082 11.649 1.00 11.20 O ATOM 1558 CB ALA A 105 -0.979 -19.560 14.616 1.00 50.04 C ATOM 0 H ALA A 105 -0.072 -17.641 13.276 1.00 42.41 H new ATOM 0 HA ALA A 105 0.231 -20.557 13.177 1.00 3.52 H new ATOM 0 HB1 ALA A 105 -1.508 -20.470 14.898 1.00 50.04 H new ATOM 0 HB2 ALA A 105 -0.148 -19.396 15.302 1.00 50.04 H new ATOM 0 HB3 ALA A 105 -1.663 -18.713 14.666 1.00 50.04 H new ATOM 1564 N MET A 106 -2.354 -18.947 11.927 1.00 0.23 N ATOM 1565 CA MET A 106 -3.453 -19.063 10.984 1.00 12.21 C ATOM 1566 C MET A 106 -2.950 -19.500 9.607 1.00 50.43 C ATOM 1567 O MET A 106 -3.658 -20.188 8.873 1.00 41.52 O ATOM 1568 CB MET A 106 -4.167 -17.715 10.863 1.00 2.22 C ATOM 1569 CG MET A 106 -3.327 -16.720 10.059 1.00 30.11 C ATOM 1570 SD MET A 106 -3.871 -15.053 10.392 1.00 3.10 S ATOM 1571 CE MET A 106 -5.628 -15.325 10.547 1.00 20.12 C ATOM 0 H MET A 106 -2.262 -18.030 12.364 1.00 0.23 H new ATOM 0 HA MET A 106 -4.146 -19.819 11.354 1.00 12.21 H new ATOM 0 HB2 MET A 106 -5.134 -17.854 10.380 1.00 2.22 H new ATOM 0 HB3 MET A 106 -4.362 -17.312 11.857 1.00 2.22 H new ATOM 0 HG2 MET A 106 -2.274 -16.827 10.319 1.00 30.11 H new ATOM 0 HG3 MET A 106 -3.415 -16.934 8.994 1.00 30.11 H new ATOM 0 HE1 MET A 106 -6.113 -14.401 10.862 1.00 20.12 H new ATOM 0 HE2 MET A 106 -6.034 -15.638 9.585 1.00 20.12 H new ATOM 0 HE3 MET A 106 -5.812 -16.102 11.289 1.00 20.12 H new ATOM 1581 N ILE A 107 -1.731 -19.082 9.297 1.00 13.05 N ATOM 1582 CA ILE A 107 -1.125 -19.421 8.021 1.00 32.53 C ATOM 1583 C ILE A 107 -0.495 -20.813 8.115 1.00 52.42 C ATOM 1584 O ILE A 107 -0.792 -21.688 7.303 1.00 23.02 O ATOM 1585 CB ILE A 107 -0.145 -18.330 7.587 1.00 63.34 C ATOM 1586 CG1 ILE A 107 1.050 -18.255 8.540 1.00 71.33 C ATOM 1587 CG2 ILE A 107 -0.852 -16.981 7.447 1.00 15.04 C ATOM 1588 CD1 ILE A 107 1.951 -17.068 8.197 1.00 43.43 C ATOM 0 H ILE A 107 -1.147 -18.511 9.908 1.00 13.05 H new ATOM 0 HA ILE A 107 -1.883 -19.466 7.239 1.00 32.53 H new ATOM 0 HB ILE A 107 0.244 -18.593 6.603 1.00 63.34 H new ATOM 0 HG12 ILE A 107 0.696 -18.162 9.567 1.00 71.33 H new ATOM 0 HG13 ILE A 107 1.624 -19.180 8.483 1.00 71.33 H new ATOM 0 HG21 ILE A 107 -0.132 -16.223 7.138 1.00 15.04 H new ATOM 0 HG22 ILE A 107 -1.641 -17.059 6.699 1.00 15.04 H new ATOM 0 HG23 ILE A 107 -1.288 -16.697 8.405 1.00 15.04 H new ATOM 0 HD11 ILE A 107 2.792 -17.038 8.889 1.00 43.43 H new ATOM 0 HD12 ILE A 107 2.323 -17.176 7.178 1.00 43.43 H new ATOM 0 HD13 ILE A 107 1.381 -16.143 8.279 1.00 43.43 H new ATOM 1600 N LYS A 108 0.362 -20.973 9.112 1.00 44.02 N ATOM 1601 CA LYS A 108 1.037 -22.243 9.322 1.00 52.21 C ATOM 1602 C LYS A 108 -0.006 -23.357 9.432 1.00 61.14 C ATOM 1603 O LYS A 108 0.277 -24.511 9.112 1.00 51.54 O ATOM 1604 CB LYS A 108 1.975 -22.158 10.527 1.00 24.03 C ATOM 1605 CG LYS A 108 2.748 -23.465 10.713 1.00 25.22 C ATOM 1606 CD LYS A 108 4.247 -23.198 10.871 1.00 72.44 C ATOM 1607 CE LYS A 108 4.962 -23.278 9.521 1.00 45.43 C ATOM 1608 NZ LYS A 108 4.718 -22.049 8.732 1.00 63.31 N ATOM 0 H LYS A 108 0.605 -20.245 9.784 1.00 44.02 H new ATOM 0 HA LYS A 108 1.672 -22.483 8.469 1.00 52.21 H new ATOM 0 HB2 LYS A 108 2.675 -21.334 10.390 1.00 24.03 H new ATOM 0 HB3 LYS A 108 1.399 -21.941 11.426 1.00 24.03 H new ATOM 0 HG2 LYS A 108 2.374 -23.991 11.591 1.00 25.22 H new ATOM 0 HG3 LYS A 108 2.579 -24.117 9.856 1.00 25.22 H new ATOM 0 HD2 LYS A 108 4.400 -22.212 11.310 1.00 72.44 H new ATOM 0 HD3 LYS A 108 4.679 -23.924 11.559 1.00 72.44 H new ATOM 0 HE2 LYS A 108 6.033 -23.411 9.677 1.00 45.43 H new ATOM 0 HE3 LYS A 108 4.610 -24.149 8.967 1.00 45.43 H new ATOM 0 HZ1 LYS A 108 5.459 -21.948 8.009 1.00 63.31 H new ATOM 0 HZ2 LYS A 108 3.789 -22.112 8.269 1.00 63.31 H new ATOM 0 HZ3 LYS A 108 4.735 -21.222 9.363 1.00 63.31 H new ATOM 1621 N GLY A 109 -1.190 -22.973 9.885 1.00 31.01 N ATOM 1622 CA GLY A 109 -2.277 -23.925 10.041 1.00 25.30 C ATOM 1623 C GLY A 109 -3.319 -23.410 11.036 1.00 25.20 C ATOM 1624 O GLY A 109 -4.478 -23.820 10.994 1.00 5.22 O ATOM 0 H GLY A 109 -1.421 -22.015 10.149 1.00 31.01 H new ATOM 0 HA2 GLY A 109 -2.749 -24.105 9.075 1.00 25.30 H new ATOM 0 HA3 GLY A 109 -1.882 -24.881 10.385 1.00 25.30 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 -0.088 -2.491 13.098 1.00 42.21 CA HETATM 1630 CA CA A 202 -3.470 -11.459 20.374 1.00 13.24 CA