USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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 48 LYS NZ :NH3+ 161:sc= 2.44 (180deg=1.58) USER MOD Set 1.2: A 49 TYR OH : rot 175:sc= 0.447 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= -0.407 (180deg=-1.04) USER MOD Single : A 4 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.5) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.159 (180deg=-0.836) USER MOD Single : A 12 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 53:sc= 0.664 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0358 (180deg=-0.455) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= -0.165 (180deg=-0.826) USER MOD Single : A 43 HIS : no HD1:sc= -0.605 K(o=-0.61,f=-0.093) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 105:sc= -0.466 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.45! C(o=-2.4!,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 77:sc= 1.15 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.818 USER MOD Single : A 76 THR OG1 : rot -52:sc= -0.983! USER MOD Single : A 78 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= -1.9 (180deg=-3.07!) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= 0.902 (180deg=0.39) USER MOD Single : A 84 GLN : amide:sc= -4.56! K(o=-4.6!,f=-0.9) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-2.89!) USER MOD Single : A 90 SER OG : rot 105:sc= 1.02 USER MOD Single : A 93 ASN : amide:sc= -6.89! K(o=-6.9!,f=-0.89) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.12) USER MOD Single : A 100 THR OG1 : rot -149:sc= -0.431 USER MOD Single : A 102 ASN : amide:sc= -0.0965 K(o=-0.096,f=-2.5!) USER MOD Single : B 5 TYR OH : rot 0:sc= -3.35 USER MOD Single : B 11 SER OG : rot -17:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.050 -1.676 8.761 1.00 0.24 N ATOM 21 CA VAL A 2 -2.672 -1.541 8.200 1.00 0.19 C ATOM 22 C VAL A 2 -1.897 -2.839 8.442 1.00 0.22 C ATOM 23 O VAL A 2 -2.228 -3.617 9.316 1.00 0.28 O ATOM 24 CB VAL A 2 -1.956 -0.378 8.893 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.530 -0.250 8.347 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.726 0.919 8.627 1.00 0.30 C ATOM 0 HA VAL A 2 -2.728 -1.347 7.129 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.913 -0.565 9.966 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.024 0.578 8.842 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.016 -1.174 8.536 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.567 -0.063 7.274 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.220 1.750 9.119 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.768 1.104 7.554 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.739 0.828 9.019 1.00 0.30 H new ATOM 36 N LYS A 3 -0.864 -3.079 7.679 1.00 0.18 N ATOM 37 CA LYS A 3 -0.062 -4.323 7.864 1.00 0.22 C ATOM 38 C LYS A 3 1.358 -4.083 7.351 1.00 0.16 C ATOM 39 O LYS A 3 1.561 -3.674 6.225 1.00 0.13 O ATOM 40 CB LYS A 3 -0.698 -5.477 7.080 1.00 0.26 C ATOM 41 CG LYS A 3 -0.102 -6.805 7.552 1.00 0.34 C ATOM 42 CD LYS A 3 -0.630 -7.944 6.678 1.00 0.81 C ATOM 43 CE LYS A 3 -0.004 -9.265 7.130 1.00 1.37 C ATOM 44 NZ LYS A 3 1.478 -9.180 7.008 1.00 1.97 N ATOM 0 H LYS A 3 -0.540 -2.464 6.932 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.036 -4.583 8.922 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.778 -5.478 7.227 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.521 -5.346 6.012 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.986 -6.766 7.498 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.364 -6.982 8.595 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.716 -8.000 6.752 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.391 -7.755 5.632 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.283 -9.478 8.162 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.383 -10.086 6.522 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.878 -10.139 6.964 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.726 -8.661 6.141 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.866 -8.680 7.833 1.00 1.97 H new ATOM 58 N GLN A 4 2.344 -4.323 8.172 1.00 0.18 N ATOM 59 CA GLN A 4 3.752 -4.096 7.740 1.00 0.15 C ATOM 60 C GLN A 4 4.313 -5.367 7.093 1.00 0.13 C ATOM 61 O GLN A 4 4.229 -6.449 7.640 1.00 0.14 O ATOM 62 CB GLN A 4 4.599 -3.717 8.963 1.00 0.20 C ATOM 63 CG GLN A 4 6.096 -3.811 8.628 1.00 0.21 C ATOM 64 CD GLN A 4 6.908 -2.998 9.639 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.872 -3.269 10.823 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.646 -2.007 9.217 1.00 0.98 N ATOM 0 H GLN A 4 2.234 -4.667 9.126 1.00 0.18 H new ATOM 0 HA GLN A 4 3.782 -3.288 7.009 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.354 -2.704 9.283 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.364 -4.380 9.796 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.417 -4.853 8.645 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.276 -3.438 7.620 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.676 -1.780 8.223 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.193 -1.460 9.881 1.00 0.98 H new ATOM 75 N ILE A 5 4.905 -5.225 5.935 1.00 0.10 N ATOM 76 CA ILE A 5 5.511 -6.393 5.227 1.00 0.10 C ATOM 77 C ILE A 5 7.032 -6.279 5.355 1.00 0.10 C ATOM 78 O ILE A 5 7.635 -5.372 4.817 1.00 0.11 O ATOM 79 CB ILE A 5 5.135 -6.341 3.741 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.645 -5.981 3.566 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.448 -7.683 3.069 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.729 -6.956 4.320 1.00 0.19 C ATOM 0 H ILE A 5 4.995 -4.336 5.443 1.00 0.10 H new ATOM 0 HA ILE A 5 5.151 -7.327 5.659 1.00 0.10 H new ATOM 0 HB ILE A 5 5.729 -5.563 3.261 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.472 -4.967 3.927 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.391 -5.990 2.506 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.177 -7.634 2.014 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.513 -7.896 3.160 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.877 -8.475 3.554 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.689 -6.667 4.171 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.883 -7.966 3.941 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.964 -6.927 5.384 1.00 0.19 H new ATOM 94 N GLU A 6 7.657 -7.174 6.071 1.00 0.11 N ATOM 95 CA GLU A 6 9.140 -7.093 6.245 1.00 0.14 C ATOM 96 C GLU A 6 9.824 -8.080 5.296 1.00 0.14 C ATOM 97 O GLU A 6 11.014 -8.002 5.062 1.00 0.17 O ATOM 98 CB GLU A 6 9.502 -7.454 7.690 1.00 0.18 C ATOM 99 CG GLU A 6 8.627 -6.667 8.667 1.00 0.31 C ATOM 100 CD GLU A 6 8.996 -5.184 8.602 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.626 -4.543 7.632 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.642 -4.714 9.524 1.00 1.97 O ATOM 0 H GLU A 6 7.207 -7.958 6.544 1.00 0.11 H new ATOM 0 HA GLU A 6 9.475 -6.080 6.021 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.367 -8.524 7.850 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.554 -7.235 7.875 1.00 0.18 H new ATOM 0 HG2 GLU A 6 7.574 -6.802 8.419 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.766 -7.043 9.681 1.00 0.31 H new ATOM 109 N SER A 7 9.087 -9.007 4.746 1.00 0.13 N ATOM 110 CA SER A 7 9.705 -9.991 3.811 1.00 0.15 C ATOM 111 C SER A 7 8.646 -10.517 2.843 1.00 0.14 C ATOM 112 O SER A 7 7.462 -10.443 3.099 1.00 0.12 O ATOM 113 CB SER A 7 10.286 -11.156 4.611 1.00 0.20 C ATOM 114 OG SER A 7 9.284 -11.680 5.471 1.00 0.23 O ATOM 0 H SER A 7 8.086 -9.126 4.903 1.00 0.13 H new ATOM 0 HA SER A 7 10.499 -9.503 3.246 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.645 -11.933 3.936 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.143 -10.820 5.195 1.00 0.20 H new ATOM 0 HG SER A 7 9.653 -12.429 5.985 1.00 0.23 H new ATOM 120 N LYS A 8 9.068 -11.056 1.732 1.00 0.15 N ATOM 121 CA LYS A 8 8.094 -11.599 0.743 1.00 0.14 C ATOM 122 C LYS A 8 7.132 -12.555 1.453 1.00 0.14 C ATOM 123 O LYS A 8 6.038 -12.814 0.993 1.00 0.13 O ATOM 124 CB LYS A 8 8.860 -12.354 -0.349 1.00 0.17 C ATOM 125 CG LYS A 8 7.961 -12.560 -1.574 1.00 0.21 C ATOM 126 CD LYS A 8 8.598 -13.594 -2.515 1.00 0.22 C ATOM 127 CE LYS A 8 7.931 -13.529 -3.895 1.00 1.06 C ATOM 128 NZ LYS A 8 8.475 -12.364 -4.650 1.00 1.90 N ATOM 0 H LYS A 8 10.049 -11.144 1.466 1.00 0.15 H new ATOM 0 HA LYS A 8 7.526 -10.784 0.294 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.752 -11.795 -0.632 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.196 -13.318 0.032 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.974 -12.899 -1.260 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.821 -11.614 -2.098 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.667 -13.402 -2.609 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.489 -14.594 -2.096 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.116 -14.452 -4.445 1.00 1.06 H new ATOM 0 HE3 LYS A 8 6.851 -13.434 -3.786 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.302 -12.498 -5.667 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.005 -11.493 -4.330 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.498 -12.287 -4.480 1.00 1.90 H new ATOM 142 N THR A 9 7.540 -13.089 2.570 1.00 0.16 N ATOM 143 CA THR A 9 6.664 -14.033 3.312 1.00 0.18 C ATOM 144 C THR A 9 5.362 -13.331 3.711 1.00 0.16 C ATOM 145 O THR A 9 4.277 -13.813 3.450 1.00 0.17 O ATOM 146 CB THR A 9 7.395 -14.514 4.565 1.00 0.21 C ATOM 147 OG1 THR A 9 8.718 -14.899 4.221 1.00 0.24 O ATOM 148 CG2 THR A 9 6.655 -15.707 5.176 1.00 0.25 C ATOM 0 H THR A 9 8.447 -12.910 3.002 1.00 0.16 H new ATOM 0 HA THR A 9 6.426 -14.885 2.676 1.00 0.18 H new ATOM 0 HB THR A 9 7.428 -13.705 5.294 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.189 -15.206 5.024 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.182 -16.044 6.069 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.642 -15.408 5.444 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.613 -16.520 4.451 1.00 0.25 H new ATOM 156 N ALA A 10 5.466 -12.198 4.348 1.00 0.16 N ATOM 157 CA ALA A 10 4.242 -11.461 4.776 1.00 0.17 C ATOM 158 C ALA A 10 3.520 -10.892 3.549 1.00 0.15 C ATOM 159 O ALA A 10 2.338 -10.619 3.588 1.00 0.17 O ATOM 160 CB ALA A 10 4.642 -10.322 5.720 1.00 0.20 C ATOM 0 H ALA A 10 6.349 -11.748 4.592 1.00 0.16 H new ATOM 0 HA ALA A 10 3.569 -12.144 5.295 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.750 -9.781 6.035 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.145 -10.734 6.595 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.316 -9.640 5.202 1.00 0.20 H new ATOM 166 N PHE A 11 4.219 -10.707 2.461 1.00 0.12 N ATOM 167 CA PHE A 11 3.560 -10.150 1.244 1.00 0.11 C ATOM 168 C PHE A 11 2.418 -11.070 0.809 1.00 0.13 C ATOM 169 O PHE A 11 1.264 -10.696 0.847 1.00 0.16 O ATOM 170 CB PHE A 11 4.582 -10.033 0.108 1.00 0.10 C ATOM 171 CG PHE A 11 3.899 -9.511 -1.139 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.464 -8.175 -1.193 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.697 -10.358 -2.246 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.829 -7.687 -2.348 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.062 -9.868 -3.400 1.00 0.18 C ATOM 176 CZ PHE A 11 2.628 -8.534 -3.450 1.00 0.21 C ATOM 0 H PHE A 11 5.212 -10.916 2.362 1.00 0.12 H new ATOM 0 HA PHE A 11 3.162 -9.162 1.475 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.390 -9.362 0.400 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.032 -11.006 -0.092 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.618 -7.523 -0.346 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.030 -11.385 -2.208 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.496 -6.661 -2.388 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.908 -10.518 -4.249 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.139 -8.159 -4.337 1.00 0.21 H new ATOM 186 N GLN A 12 2.727 -12.267 0.390 1.00 0.15 N ATOM 187 CA GLN A 12 1.652 -13.199 -0.057 1.00 0.19 C ATOM 188 C GLN A 12 0.611 -13.357 1.053 1.00 0.17 C ATOM 189 O GLN A 12 -0.579 -13.312 0.813 1.00 0.16 O ATOM 190 CB GLN A 12 2.262 -14.567 -0.373 1.00 0.24 C ATOM 191 CG GLN A 12 3.297 -14.431 -1.496 1.00 1.21 C ATOM 192 CD GLN A 12 2.584 -14.229 -2.836 1.00 1.77 C ATOM 193 OE1 GLN A 12 2.950 -13.366 -3.609 1.00 2.35 O ATOM 194 NE2 GLN A 12 1.574 -14.996 -3.145 1.00 2.47 N ATOM 0 H GLN A 12 3.675 -12.640 0.338 1.00 0.15 H new ATOM 0 HA GLN A 12 1.174 -12.794 -0.949 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.733 -14.980 0.519 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.479 -15.264 -0.671 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.958 -13.588 -1.294 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.922 -15.323 -1.537 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.267 -15.721 -2.496 1.00 2.47 H new ATOM 0 HE22 GLN A 12 1.092 -14.871 -4.035 1.00 2.47 H new ATOM 203 N GLU A 13 1.050 -13.550 2.263 1.00 0.19 N ATOM 204 CA GLU A 13 0.090 -13.722 3.386 1.00 0.20 C ATOM 205 C GLU A 13 -0.814 -12.490 3.495 1.00 0.18 C ATOM 206 O GLU A 13 -1.980 -12.597 3.816 1.00 0.19 O ATOM 207 CB GLU A 13 0.872 -13.907 4.691 1.00 0.25 C ATOM 208 CG GLU A 13 1.415 -15.337 4.775 1.00 0.30 C ATOM 209 CD GLU A 13 2.277 -15.483 6.031 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.651 -14.466 6.593 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.550 -16.610 6.412 1.00 2.10 O ATOM 0 H GLU A 13 2.035 -13.596 2.524 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.531 -14.599 3.202 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.694 -13.193 4.737 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.225 -13.703 5.545 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.590 -16.049 4.802 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.005 -15.566 3.888 1.00 0.30 H new ATOM 218 N ALA A 14 -0.293 -11.322 3.242 1.00 0.18 N ATOM 219 CA ALA A 14 -1.142 -10.103 3.347 1.00 0.18 C ATOM 220 C ALA A 14 -2.307 -10.206 2.354 1.00 0.18 C ATOM 221 O ALA A 14 -3.449 -9.965 2.691 1.00 0.19 O ATOM 222 CB ALA A 14 -0.298 -8.868 3.027 1.00 0.20 C ATOM 0 H ALA A 14 0.676 -11.159 2.969 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.538 -10.017 4.359 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.917 -7.974 3.103 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.528 -8.798 3.735 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.098 -8.950 2.015 1.00 0.20 H new ATOM 228 N LEU A 15 -2.017 -10.562 1.133 1.00 0.17 N ATOM 229 CA LEU A 15 -3.089 -10.685 0.100 1.00 0.18 C ATOM 230 C LEU A 15 -4.050 -11.817 0.474 1.00 0.18 C ATOM 231 O LEU A 15 -5.255 -11.666 0.416 1.00 0.18 O ATOM 232 CB LEU A 15 -2.446 -10.981 -1.263 1.00 0.19 C ATOM 233 CG LEU A 15 -1.166 -10.151 -1.431 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.604 -10.354 -2.843 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.478 -8.663 -1.211 1.00 0.62 C ATOM 0 H LEU A 15 -1.076 -10.775 0.802 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.648 -9.751 0.047 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.214 -12.043 -1.342 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.148 -10.748 -2.064 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.429 -10.476 -0.697 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.305 -9.764 -2.961 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.374 -11.409 -2.995 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.342 -10.034 -3.578 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.566 -8.078 -1.331 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.218 -8.335 -1.940 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.871 -8.519 -0.205 1.00 0.62 H new ATOM 247 N ASP A 16 -3.530 -12.954 0.844 1.00 0.19 N ATOM 248 CA ASP A 16 -4.416 -14.096 1.205 1.00 0.21 C ATOM 249 C ASP A 16 -5.248 -13.745 2.442 1.00 0.20 C ATOM 250 O ASP A 16 -6.419 -14.055 2.520 1.00 0.20 O ATOM 251 CB ASP A 16 -3.560 -15.331 1.500 1.00 0.24 C ATOM 252 CG ASP A 16 -4.465 -16.549 1.696 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.653 -16.428 1.446 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.954 -17.582 2.095 1.00 1.09 O ATOM 0 H ASP A 16 -2.530 -13.142 0.912 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.087 -14.304 0.372 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.866 -15.509 0.679 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.959 -15.164 2.394 1.00 0.24 H new ATOM 259 N ALA A 17 -4.654 -13.106 3.413 1.00 0.22 N ATOM 260 CA ALA A 17 -5.419 -12.742 4.642 1.00 0.24 C ATOM 261 C ALA A 17 -6.253 -11.487 4.376 1.00 0.21 C ATOM 262 O ALA A 17 -7.178 -11.181 5.102 1.00 0.22 O ATOM 263 CB ALA A 17 -4.440 -12.471 5.786 1.00 0.30 C ATOM 0 H ALA A 17 -3.675 -12.820 3.410 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.081 -13.564 4.914 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.996 -12.205 6.685 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.847 -13.366 5.977 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.778 -11.649 5.512 1.00 0.30 H new ATOM 269 N ALA A 18 -5.935 -10.758 3.340 1.00 0.21 N ATOM 270 CA ALA A 18 -6.712 -9.523 3.031 1.00 0.22 C ATOM 271 C ALA A 18 -8.123 -9.905 2.579 1.00 0.21 C ATOM 272 O ALA A 18 -8.974 -9.058 2.387 1.00 0.24 O ATOM 273 CB ALA A 18 -6.005 -8.746 1.915 1.00 0.23 C ATOM 0 H ALA A 18 -5.172 -10.964 2.695 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.778 -8.900 3.923 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.570 -7.842 1.686 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.001 -8.473 2.241 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.940 -9.369 1.023 1.00 0.23 H new ATOM 279 N GLY A 19 -8.381 -11.171 2.404 1.00 0.22 N ATOM 280 CA GLY A 19 -9.737 -11.597 1.961 1.00 0.24 C ATOM 281 C GLY A 19 -9.955 -11.171 0.507 1.00 0.20 C ATOM 282 O GLY A 19 -9.107 -11.371 -0.340 1.00 0.28 O ATOM 0 H GLY A 19 -7.713 -11.928 2.548 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.839 -12.678 2.054 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.498 -11.149 2.600 1.00 0.24 H new ATOM 286 N ASP A 20 -11.090 -10.588 0.211 1.00 0.13 N ATOM 287 CA ASP A 20 -11.383 -10.147 -1.189 1.00 0.18 C ATOM 288 C ASP A 20 -11.538 -8.624 -1.226 1.00 0.15 C ATOM 289 O ASP A 20 -11.886 -8.052 -2.241 1.00 0.22 O ATOM 290 CB ASP A 20 -12.685 -10.807 -1.656 1.00 0.26 C ATOM 291 CG ASP A 20 -12.687 -12.279 -1.239 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.209 -13.095 -2.011 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.166 -12.567 -0.155 1.00 2.21 O ATOM 0 H ASP A 20 -11.832 -10.397 0.884 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.564 -10.439 -1.847 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.542 -10.293 -1.221 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.780 -10.724 -2.739 1.00 0.26 H new ATOM 298 N LYS A 21 -11.282 -7.959 -0.132 1.00 0.12 N ATOM 299 CA LYS A 21 -11.415 -6.476 -0.116 1.00 0.19 C ATOM 300 C LYS A 21 -10.290 -5.860 -0.948 1.00 0.15 C ATOM 301 O LYS A 21 -9.332 -6.520 -1.299 1.00 0.15 O ATOM 302 CB LYS A 21 -11.326 -5.976 1.329 1.00 0.27 C ATOM 303 CG LYS A 21 -12.666 -6.209 2.035 1.00 0.29 C ATOM 304 CD LYS A 21 -12.480 -6.077 3.549 1.00 0.30 C ATOM 305 CE LYS A 21 -13.849 -5.981 4.229 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.691 -6.198 5.695 1.00 1.90 N ATOM 0 H LYS A 21 -10.987 -8.379 0.750 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.377 -6.186 -0.539 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.529 -6.499 1.857 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.075 -4.915 1.343 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.403 -5.486 1.685 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.050 -7.200 1.791 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.931 -6.936 3.934 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.887 -5.191 3.777 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.293 -5.003 4.041 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.528 -6.725 3.811 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.620 -6.133 6.158 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.285 -7.140 5.865 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.058 -5.472 6.087 1.00 1.90 H new ATOM 320 N LEU A 22 -10.396 -4.600 -1.263 1.00 0.13 N ATOM 321 CA LEU A 22 -9.331 -3.947 -2.070 1.00 0.11 C ATOM 322 C LEU A 22 -8.027 -3.970 -1.264 1.00 0.10 C ATOM 323 O LEU A 22 -8.040 -4.133 -0.059 1.00 0.11 O ATOM 324 CB LEU A 22 -9.751 -2.494 -2.373 1.00 0.12 C ATOM 325 CG LEU A 22 -9.466 -2.106 -3.836 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.724 -0.602 -4.013 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.010 -2.415 -4.207 1.00 0.11 C ATOM 0 H LEU A 22 -11.173 -3.995 -0.997 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.182 -4.474 -3.012 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.814 -2.373 -2.166 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.217 -1.816 -1.707 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.121 -2.684 -4.488 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.525 -0.318 -5.046 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.763 -0.380 -3.769 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.068 -0.040 -3.349 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.831 -2.133 -5.245 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.341 -1.851 -3.557 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.821 -3.481 -4.083 1.00 0.11 H new ATOM 339 N VAL A 23 -6.902 -3.806 -1.912 1.00 0.08 N ATOM 340 CA VAL A 23 -5.602 -3.818 -1.176 1.00 0.09 C ATOM 341 C VAL A 23 -4.633 -2.821 -1.819 1.00 0.08 C ATOM 342 O VAL A 23 -4.131 -3.045 -2.903 1.00 0.09 O ATOM 343 CB VAL A 23 -4.994 -5.222 -1.234 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.769 -5.285 -0.318 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.038 -6.247 -0.778 1.00 0.10 C ATOM 0 H VAL A 23 -6.828 -3.664 -2.919 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.776 -3.536 -0.138 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.690 -5.449 -2.256 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.335 -6.284 -0.359 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.030 -4.555 -0.648 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.068 -5.061 0.706 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.607 -7.248 -0.818 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.344 -6.025 0.244 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.906 -6.199 -1.435 1.00 0.10 H new ATOM 355 N VAL A 24 -4.354 -1.731 -1.148 1.00 0.08 N ATOM 356 CA VAL A 24 -3.401 -0.718 -1.698 1.00 0.08 C ATOM 357 C VAL A 24 -2.086 -0.811 -0.922 1.00 0.08 C ATOM 358 O VAL A 24 -2.075 -0.891 0.292 1.00 0.08 O ATOM 359 CB VAL A 24 -3.997 0.688 -1.558 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.255 1.659 -2.482 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.479 0.652 -1.941 1.00 0.09 C ATOM 0 H VAL A 24 -4.748 -1.498 -0.237 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.219 -0.913 -2.755 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.893 1.023 -0.526 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.682 2.657 -2.379 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.200 1.686 -2.210 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.355 1.326 -3.515 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.905 1.651 -1.842 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.580 0.315 -2.973 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.009 -0.035 -1.281 1.00 0.09 H new ATOM 371 N VAL A 25 -0.978 -0.821 -1.616 1.00 0.09 N ATOM 372 CA VAL A 25 0.350 -0.933 -0.940 1.00 0.09 C ATOM 373 C VAL A 25 1.097 0.394 -1.041 1.00 0.10 C ATOM 374 O VAL A 25 1.059 1.064 -2.053 1.00 0.17 O ATOM 375 CB VAL A 25 1.180 -2.022 -1.631 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.325 -2.470 -0.714 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.280 -3.216 -1.955 1.00 0.09 C ATOM 0 H VAL A 25 -0.936 -0.756 -2.633 1.00 0.09 H new ATOM 0 HA VAL A 25 0.196 -1.187 0.109 1.00 0.09 H new ATOM 0 HB VAL A 25 1.602 -1.622 -2.553 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.909 -3.243 -1.213 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.967 -1.618 -0.491 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.914 -2.868 0.214 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.867 -3.992 -2.446 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.145 -3.612 -1.033 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.525 -2.896 -2.617 1.00 0.09 H new ATOM 387 N ASP A 26 1.794 0.760 0.001 1.00 0.08 N ATOM 388 CA ASP A 26 2.575 2.029 -0.009 1.00 0.08 C ATOM 389 C ASP A 26 4.068 1.693 -0.002 1.00 0.08 C ATOM 390 O ASP A 26 4.641 1.398 1.027 1.00 0.09 O ATOM 391 CB ASP A 26 2.229 2.849 1.238 1.00 0.09 C ATOM 392 CG ASP A 26 3.125 4.089 1.307 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.628 4.492 0.271 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.293 4.614 2.396 1.00 0.93 O ATOM 0 H ASP A 26 1.856 0.227 0.868 1.00 0.08 H new ATOM 0 HA ASP A 26 2.331 2.608 -0.900 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.181 3.147 1.209 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.363 2.242 2.133 1.00 0.09 H new ATOM 399 N PHE A 27 4.705 1.743 -1.140 1.00 0.08 N ATOM 400 CA PHE A 27 6.162 1.436 -1.192 1.00 0.09 C ATOM 401 C PHE A 27 6.924 2.719 -0.867 1.00 0.11 C ATOM 402 O PHE A 27 7.397 3.411 -1.747 1.00 0.13 O ATOM 403 CB PHE A 27 6.536 0.979 -2.606 1.00 0.10 C ATOM 404 CG PHE A 27 6.146 -0.469 -2.820 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.834 -0.801 -3.200 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.105 -1.482 -2.658 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.483 -2.147 -3.414 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.754 -2.825 -2.873 1.00 0.21 C ATOM 409 CZ PHE A 27 5.443 -3.157 -3.250 1.00 0.23 C ATOM 0 H PHE A 27 4.279 1.983 -2.035 1.00 0.08 H new ATOM 0 HA PHE A 27 6.409 0.648 -0.481 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.035 1.608 -3.342 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.608 1.099 -2.761 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.096 -0.023 -3.328 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.114 -1.228 -2.368 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.475 -2.402 -3.704 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.493 -3.603 -2.748 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.173 -4.190 -3.414 1.00 0.23 H new ATOM 419 N SER A 28 7.028 3.044 0.397 1.00 0.11 N ATOM 420 CA SER A 28 7.741 4.288 0.812 1.00 0.12 C ATOM 421 C SER A 28 9.009 3.923 1.581 1.00 0.10 C ATOM 422 O SER A 28 9.068 2.915 2.256 1.00 0.11 O ATOM 423 CB SER A 28 6.826 5.112 1.719 1.00 0.17 C ATOM 424 OG SER A 28 5.733 5.610 0.959 1.00 1.03 O ATOM 0 H SER A 28 6.645 2.494 1.166 1.00 0.11 H new ATOM 0 HA SER A 28 8.007 4.865 -0.074 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.461 4.497 2.542 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.382 5.938 2.161 1.00 0.17 H new ATOM 0 HG SER A 28 5.297 4.869 0.489 1.00 1.03 H new ATOM 430 N ALA A 29 10.015 4.749 1.501 1.00 0.10 N ATOM 431 CA ALA A 29 11.277 4.472 2.243 1.00 0.15 C ATOM 432 C ALA A 29 11.203 5.167 3.610 1.00 0.18 C ATOM 433 O ALA A 29 10.937 6.348 3.704 1.00 0.26 O ATOM 434 CB ALA A 29 12.461 5.007 1.428 1.00 0.19 C ATOM 0 H ALA A 29 10.017 5.608 0.951 1.00 0.10 H new ATOM 0 HA ALA A 29 11.411 3.401 2.394 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.390 4.809 1.963 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.488 4.511 0.458 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.347 6.081 1.284 1.00 0.19 H new ATOM 440 N THR A 30 11.415 4.433 4.668 1.00 0.18 N ATOM 441 CA THR A 30 11.334 5.037 6.031 1.00 0.23 C ATOM 442 C THR A 30 12.451 6.064 6.234 1.00 0.26 C ATOM 443 O THR A 30 12.332 6.972 7.033 1.00 0.31 O ATOM 444 CB THR A 30 11.470 3.930 7.081 1.00 0.26 C ATOM 445 OG1 THR A 30 11.405 4.501 8.380 1.00 0.32 O ATOM 446 CG2 THR A 30 12.811 3.215 6.902 1.00 0.28 C ATOM 0 H THR A 30 11.641 3.439 4.649 1.00 0.18 H new ATOM 0 HA THR A 30 10.373 5.540 6.135 1.00 0.23 H new ATOM 0 HB THR A 30 10.659 3.212 6.959 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.490 3.794 9.053 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.906 2.428 7.650 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.859 2.777 5.905 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.624 3.931 7.023 1.00 0.28 H new ATOM 454 N TRP A 31 13.543 5.924 5.532 1.00 0.26 N ATOM 455 CA TRP A 31 14.673 6.887 5.700 1.00 0.32 C ATOM 456 C TRP A 31 14.481 8.085 4.767 1.00 0.32 C ATOM 457 O TRP A 31 15.187 9.071 4.855 1.00 0.36 O ATOM 458 CB TRP A 31 15.985 6.180 5.352 1.00 0.34 C ATOM 459 CG TRP A 31 16.034 5.920 3.881 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.505 4.840 3.266 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.622 6.743 2.833 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.733 4.942 1.905 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.423 6.096 1.588 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.310 7.975 2.843 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.887 6.654 0.389 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.777 8.540 1.642 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.568 7.880 0.417 1.00 0.40 C ATOM 0 H TRP A 31 13.703 5.184 4.848 1.00 0.26 H new ATOM 0 HA TRP A 31 14.700 7.239 6.731 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.833 6.795 5.652 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.062 5.242 5.901 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.988 4.029 3.757 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.429 4.250 1.220 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.479 8.487 3.778 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.722 6.144 -0.549 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 18.299 9.485 1.660 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.932 8.317 -0.501 1.00 0.40 H new ATOM 478 N CYS A 32 13.547 7.994 3.859 1.00 0.28 N ATOM 479 CA CYS A 32 13.317 9.111 2.895 1.00 0.30 C ATOM 480 C CYS A 32 12.160 9.986 3.389 1.00 0.31 C ATOM 481 O CYS A 32 11.086 9.506 3.696 1.00 0.29 O ATOM 482 CB CYS A 32 12.991 8.507 1.524 1.00 0.28 C ATOM 483 SG CYS A 32 13.519 9.630 0.208 1.00 0.32 S ATOM 0 H CYS A 32 12.930 7.190 3.742 1.00 0.28 H new ATOM 0 HA CYS A 32 14.207 9.735 2.814 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.491 7.545 1.414 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.920 8.321 1.446 1.00 0.28 H new ATOM 488 N GLY A 33 12.387 11.266 3.479 1.00 0.34 N ATOM 489 CA GLY A 33 11.328 12.193 3.965 1.00 0.36 C ATOM 490 C GLY A 33 10.179 12.305 2.948 1.00 0.35 C ATOM 491 O GLY A 33 9.039 12.093 3.304 1.00 0.33 O ATOM 0 H GLY A 33 13.270 11.714 3.234 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.939 11.838 4.919 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.757 13.179 4.143 1.00 0.36 H new ATOM 495 N PRO A 34 10.495 12.670 1.723 1.00 0.37 N ATOM 496 CA PRO A 34 9.470 12.856 0.674 1.00 0.38 C ATOM 497 C PRO A 34 8.508 11.664 0.607 1.00 0.35 C ATOM 498 O PRO A 34 7.319 11.832 0.425 1.00 0.36 O ATOM 499 CB PRO A 34 10.277 13.012 -0.634 1.00 0.42 C ATOM 500 CG PRO A 34 11.755 13.254 -0.227 1.00 0.44 C ATOM 501 CD PRO A 34 11.883 12.911 1.272 1.00 0.40 C ATOM 0 HA PRO A 34 8.836 13.721 0.869 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.188 12.118 -1.251 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.898 13.846 -1.224 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.424 12.632 -0.822 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.038 14.291 -0.409 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.507 12.031 1.425 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.343 13.728 1.827 1.00 0.40 H new ATOM 509 N ALA A 35 8.995 10.465 0.752 1.00 0.33 N ATOM 510 CA ALA A 35 8.078 9.293 0.689 1.00 0.32 C ATOM 511 C ALA A 35 7.269 9.216 1.984 1.00 0.39 C ATOM 512 O ALA A 35 6.059 9.316 1.983 1.00 0.81 O ATOM 513 CB ALA A 35 8.895 8.013 0.523 1.00 0.36 C ATOM 0 H ALA A 35 9.979 10.246 0.910 1.00 0.33 H new ATOM 0 HA ALA A 35 7.403 9.403 -0.159 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.223 7.156 0.477 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.476 8.069 -0.398 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.570 7.900 1.371 1.00 0.36 H new ATOM 519 N LYS A 36 7.931 9.044 3.090 1.00 0.30 N ATOM 520 CA LYS A 36 7.217 8.963 4.394 1.00 0.28 C ATOM 521 C LYS A 36 6.418 10.250 4.630 1.00 0.24 C ATOM 522 O LYS A 36 5.503 10.283 5.428 1.00 0.25 O ATOM 523 CB LYS A 36 8.252 8.786 5.508 1.00 0.35 C ATOM 524 CG LYS A 36 7.563 8.810 6.877 1.00 0.38 C ATOM 525 CD LYS A 36 8.551 8.356 7.955 1.00 0.49 C ATOM 526 CE LYS A 36 7.839 8.284 9.308 1.00 1.22 C ATOM 527 NZ LYS A 36 7.307 9.630 9.666 1.00 1.92 N ATOM 0 H LYS A 36 8.945 8.955 3.149 1.00 0.30 H new ATOM 0 HA LYS A 36 6.528 8.118 4.388 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.782 7.843 5.376 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.996 9.580 5.453 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.204 9.815 7.098 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.691 8.155 6.869 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.963 7.380 7.697 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.389 9.051 8.010 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.025 7.560 9.264 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.531 7.939 10.076 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.086 9.657 10.682 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.020 10.355 9.448 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.443 9.819 9.118 1.00 1.92 H new ATOM 541 N MET A 37 6.765 11.311 3.956 1.00 0.23 N ATOM 542 CA MET A 37 6.036 12.596 4.161 1.00 0.24 C ATOM 543 C MET A 37 4.555 12.427 3.810 1.00 0.20 C ATOM 544 O MET A 37 3.729 13.236 4.187 1.00 0.20 O ATOM 545 CB MET A 37 6.654 13.687 3.276 1.00 0.29 C ATOM 546 CG MET A 37 5.811 14.966 3.346 1.00 1.31 C ATOM 547 SD MET A 37 6.812 16.371 2.792 1.00 2.12 S ATOM 548 CE MET A 37 6.003 17.646 3.790 1.00 3.13 C ATOM 0 H MET A 37 7.521 11.345 3.272 1.00 0.23 H new ATOM 0 HA MET A 37 6.120 12.886 5.208 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.673 13.896 3.602 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.714 13.338 2.245 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.925 14.866 2.720 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.464 15.131 4.366 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.473 18.611 3.599 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.947 17.699 3.526 1.00 3.13 H new ATOM 0 HE3 MET A 37 6.101 17.397 4.847 1.00 3.13 H new ATOM 558 N ILE A 38 4.214 11.403 3.073 1.00 0.18 N ATOM 559 CA ILE A 38 2.785 11.203 2.674 1.00 0.15 C ATOM 560 C ILE A 38 2.120 10.162 3.584 1.00 0.16 C ATOM 561 O ILE A 38 1.004 9.744 3.343 1.00 0.16 O ATOM 562 CB ILE A 38 2.731 10.726 1.213 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.813 11.459 0.405 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.342 11.030 0.617 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.635 11.182 -1.095 1.00 0.28 C ATOM 0 H ILE A 38 4.862 10.695 2.729 1.00 0.18 H new ATOM 0 HA ILE A 38 2.249 12.147 2.774 1.00 0.15 H new ATOM 0 HB ILE A 38 2.907 9.651 1.172 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.754 12.531 0.594 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.802 11.132 0.728 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.308 10.690 -0.418 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.577 10.511 1.194 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.158 12.104 0.653 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.408 11.707 -1.656 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.717 10.111 -1.279 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.653 11.531 -1.415 1.00 0.28 H new ATOM 577 N LYS A 39 2.783 9.732 4.629 1.00 0.19 N ATOM 578 CA LYS A 39 2.147 8.721 5.520 1.00 0.22 C ATOM 579 C LYS A 39 0.905 9.277 6.251 1.00 0.20 C ATOM 580 O LYS A 39 0.005 8.514 6.529 1.00 0.21 O ATOM 581 CB LYS A 39 3.158 8.119 6.524 1.00 0.31 C ATOM 582 CG LYS A 39 3.405 9.037 7.739 1.00 0.34 C ATOM 583 CD LYS A 39 3.947 8.208 8.915 1.00 0.45 C ATOM 584 CE LYS A 39 2.845 7.304 9.502 1.00 1.16 C ATOM 585 NZ LYS A 39 3.108 5.891 9.110 1.00 1.62 N ATOM 0 H LYS A 39 3.720 10.032 4.898 1.00 0.19 H new ATOM 0 HA LYS A 39 1.804 7.916 4.870 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.789 7.154 6.871 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.104 7.934 6.015 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.116 9.821 7.476 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.478 9.532 8.027 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.785 7.597 8.579 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.329 8.873 9.689 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.824 7.395 10.588 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.867 7.619 9.137 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.207 5.415 8.902 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.713 5.872 8.264 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.588 5.398 9.890 1.00 1.62 H new ATOM 599 N PRO A 40 0.856 10.558 6.582 1.00 0.20 N ATOM 600 CA PRO A 40 -0.305 11.077 7.327 1.00 0.21 C ATOM 601 C PRO A 40 -1.577 10.904 6.492 1.00 0.17 C ATOM 602 O PRO A 40 -2.674 11.127 6.964 1.00 0.20 O ATOM 603 CB PRO A 40 0.012 12.559 7.592 1.00 0.24 C ATOM 604 CG PRO A 40 1.441 12.830 7.053 1.00 0.25 C ATOM 605 CD PRO A 40 1.878 11.587 6.256 1.00 0.21 C ATOM 0 HA PRO A 40 -0.479 10.546 8.263 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.714 13.202 7.095 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.045 12.779 8.658 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.450 13.716 6.418 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.131 13.021 7.875 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.908 11.792 5.186 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.877 11.260 6.546 1.00 0.21 H new ATOM 613 N PHE A 41 -1.431 10.499 5.257 1.00 0.14 N ATOM 614 CA PHE A 41 -2.618 10.293 4.374 1.00 0.14 C ATOM 615 C PHE A 41 -2.855 8.792 4.199 1.00 0.11 C ATOM 616 O PHE A 41 -3.769 8.226 4.760 1.00 0.13 O ATOM 617 CB PHE A 41 -2.343 10.922 3.002 1.00 0.15 C ATOM 618 CG PHE A 41 -2.541 12.420 3.077 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.528 13.235 3.611 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.737 12.995 2.615 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.712 14.627 3.681 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.919 14.387 2.684 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.907 15.203 3.219 1.00 0.27 C ATOM 0 H PHE A 41 -0.532 10.300 4.818 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.496 10.758 4.822 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.325 10.696 2.685 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.012 10.494 2.255 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.609 12.792 3.967 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.516 12.368 2.207 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.934 15.254 4.090 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.837 14.830 2.326 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.048 16.272 3.275 1.00 0.27 H new ATOM 633 N PHE A 42 -2.035 8.150 3.416 1.00 0.10 N ATOM 634 CA PHE A 42 -2.197 6.687 3.172 1.00 0.11 C ATOM 635 C PHE A 42 -2.477 5.944 4.484 1.00 0.11 C ATOM 636 O PHE A 42 -3.462 5.245 4.612 1.00 0.12 O ATOM 637 CB PHE A 42 -0.906 6.154 2.550 1.00 0.13 C ATOM 638 CG PHE A 42 -1.009 4.662 2.358 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.709 4.150 1.255 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.398 3.786 3.273 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.799 2.762 1.065 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.491 2.396 3.083 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.191 1.884 1.978 1.00 0.10 C ATOM 0 H PHE A 42 -1.249 8.580 2.928 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.041 6.525 2.501 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.725 6.641 1.592 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.058 6.389 3.193 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.178 4.823 0.553 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.142 4.181 4.121 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.337 2.368 0.215 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.024 1.722 3.786 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.262 0.816 1.830 1.00 0.10 H new ATOM 653 N HIS A 43 -1.618 6.081 5.454 1.00 0.14 N ATOM 654 CA HIS A 43 -1.836 5.371 6.747 1.00 0.16 C ATOM 655 C HIS A 43 -3.089 5.921 7.439 1.00 0.16 C ATOM 656 O HIS A 43 -3.792 5.202 8.123 1.00 0.18 O ATOM 657 CB HIS A 43 -0.579 5.529 7.625 1.00 0.21 C ATOM 658 CG HIS A 43 -0.921 5.444 9.089 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.813 4.266 9.810 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.404 6.382 9.968 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.228 4.522 11.065 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.601 5.796 11.215 1.00 0.39 N ATOM 0 H HIS A 43 -0.775 6.653 5.409 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.000 4.308 6.573 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.144 4.753 7.372 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.104 6.487 7.415 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.601 7.416 9.728 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.256 3.786 11.855 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.954 6.243 12.061 1.00 0.39 H new ATOM 670 N SER A 44 -3.388 7.178 7.264 1.00 0.20 N ATOM 671 CA SER A 44 -4.608 7.744 7.911 1.00 0.25 C ATOM 672 C SER A 44 -5.866 7.084 7.330 1.00 0.20 C ATOM 673 O SER A 44 -6.798 6.772 8.044 1.00 0.21 O ATOM 674 CB SER A 44 -4.668 9.254 7.672 1.00 0.34 C ATOM 675 OG SER A 44 -6.001 9.707 7.868 1.00 0.97 O ATOM 0 H SER A 44 -2.845 7.836 6.705 1.00 0.20 H new ATOM 0 HA SER A 44 -4.562 7.547 8.982 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.992 9.769 8.355 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.337 9.487 6.660 1.00 0.34 H new ATOM 0 HG SER A 44 -6.043 10.674 7.717 1.00 0.97 H new ATOM 681 N LEU A 45 -5.906 6.877 6.037 1.00 0.18 N ATOM 682 CA LEU A 45 -7.112 6.248 5.413 1.00 0.18 C ATOM 683 C LEU A 45 -7.471 4.961 6.160 1.00 0.16 C ATOM 684 O LEU A 45 -8.548 4.422 6.002 1.00 0.23 O ATOM 685 CB LEU A 45 -6.823 5.907 3.944 1.00 0.19 C ATOM 686 CG LEU A 45 -6.443 7.168 3.153 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.234 6.791 1.682 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.556 8.224 3.259 1.00 0.50 C ATOM 0 H LEU A 45 -5.157 7.116 5.387 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.943 6.951 5.470 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.013 5.180 3.888 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.701 5.442 3.495 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.525 7.586 3.566 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.964 7.681 1.113 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.434 6.055 1.605 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.155 6.369 1.280 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.271 9.111 2.693 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.483 7.818 2.854 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.704 8.493 4.305 1.00 0.50 H new ATOM 700 N SER A 46 -6.581 4.459 6.967 1.00 0.20 N ATOM 701 CA SER A 46 -6.883 3.204 7.712 1.00 0.25 C ATOM 702 C SER A 46 -8.159 3.382 8.538 1.00 0.17 C ATOM 703 O SER A 46 -8.900 2.443 8.756 1.00 0.15 O ATOM 704 CB SER A 46 -5.718 2.871 8.642 1.00 0.36 C ATOM 705 OG SER A 46 -4.512 2.841 7.892 1.00 0.51 O ATOM 0 H SER A 46 -5.660 4.860 7.144 1.00 0.20 H new ATOM 0 HA SER A 46 -7.027 2.391 7.000 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.648 3.615 9.436 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.885 1.907 9.122 1.00 0.36 H new ATOM 0 HG SER A 46 -3.994 3.653 8.073 1.00 0.51 H new ATOM 711 N GLU A 47 -8.414 4.573 9.017 1.00 0.21 N ATOM 712 CA GLU A 47 -9.634 4.806 9.849 1.00 0.21 C ATOM 713 C GLU A 47 -10.782 5.327 8.978 1.00 0.18 C ATOM 714 O GLU A 47 -11.929 5.295 9.377 1.00 0.18 O ATOM 715 CB GLU A 47 -9.317 5.836 10.937 1.00 0.32 C ATOM 716 CG GLU A 47 -7.981 5.482 11.603 1.00 0.39 C ATOM 717 CD GLU A 47 -7.833 6.254 12.917 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.838 6.476 13.570 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.713 6.608 13.248 1.00 2.00 O ATOM 0 H GLU A 47 -7.829 5.395 8.868 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.935 3.863 10.305 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.266 6.835 10.503 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.113 5.852 11.681 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.933 4.410 11.794 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.156 5.724 10.934 1.00 0.39 H new ATOM 726 N LYS A 48 -10.490 5.811 7.800 1.00 0.18 N ATOM 727 CA LYS A 48 -11.580 6.337 6.920 1.00 0.17 C ATOM 728 C LYS A 48 -12.095 5.205 6.025 1.00 0.15 C ATOM 729 O LYS A 48 -13.216 5.236 5.555 1.00 0.18 O ATOM 730 CB LYS A 48 -11.023 7.482 6.053 1.00 0.21 C ATOM 731 CG LYS A 48 -12.165 8.377 5.511 1.00 0.26 C ATOM 732 CD LYS A 48 -12.486 8.008 4.059 1.00 1.09 C ATOM 733 CE LYS A 48 -13.712 8.796 3.590 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.849 8.666 2.112 1.00 2.16 N ATOM 0 H LYS A 48 -9.550 5.866 7.409 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.401 6.715 7.529 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.332 8.085 6.642 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.454 7.068 5.220 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.055 8.257 6.129 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -11.874 9.426 5.571 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.632 8.229 3.419 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.676 6.938 3.978 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -14.609 8.422 4.084 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.611 9.846 3.866 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.820 8.911 1.830 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.180 9.310 1.643 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.643 7.687 1.829 1.00 2.16 H new ATOM 748 N TYR A 49 -11.285 4.202 5.799 1.00 0.13 N ATOM 749 CA TYR A 49 -11.711 3.050 4.943 1.00 0.13 C ATOM 750 C TYR A 49 -11.387 1.740 5.663 1.00 0.11 C ATOM 751 O TYR A 49 -10.549 0.974 5.232 1.00 0.11 O ATOM 752 CB TYR A 49 -10.960 3.100 3.607 1.00 0.15 C ATOM 753 CG TYR A 49 -11.599 4.127 2.702 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.852 3.859 2.126 1.00 0.19 C ATOM 755 CD2 TYR A 49 -10.951 5.347 2.438 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.457 4.806 1.288 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.556 6.296 1.600 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.811 6.027 1.024 1.00 0.21 C ATOM 759 OH TYR A 49 -13.407 6.959 0.200 1.00 0.24 O ATOM 0 H TYR A 49 -10.339 4.130 6.173 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.783 3.109 4.757 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.913 3.352 3.776 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.979 2.120 3.131 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.350 2.922 2.329 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -9.988 5.553 2.880 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.420 4.598 0.845 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.058 7.233 1.397 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.867 7.777 0.187 1.00 0.24 H new ATOM 769 N SER A 50 -12.051 1.475 6.752 1.00 0.12 N ATOM 770 CA SER A 50 -11.787 0.211 7.490 1.00 0.13 C ATOM 771 C SER A 50 -12.237 -0.971 6.630 1.00 0.13 C ATOM 772 O SER A 50 -12.090 -2.118 7.004 1.00 0.14 O ATOM 773 CB SER A 50 -12.560 0.219 8.809 1.00 0.16 C ATOM 774 OG SER A 50 -13.937 0.458 8.546 1.00 0.17 O ATOM 0 H SER A 50 -12.764 2.078 7.162 1.00 0.12 H new ATOM 0 HA SER A 50 -10.722 0.121 7.703 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.436 -0.735 9.322 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.165 0.990 9.470 1.00 0.16 H new ATOM 0 HG SER A 50 -14.435 0.462 9.390 1.00 0.17 H new ATOM 780 N ASN A 51 -12.785 -0.695 5.473 1.00 0.13 N ATOM 781 CA ASN A 51 -13.252 -1.787 4.568 1.00 0.15 C ATOM 782 C ASN A 51 -12.148 -2.107 3.557 1.00 0.13 C ATOM 783 O ASN A 51 -12.237 -3.058 2.807 1.00 0.14 O ATOM 784 CB ASN A 51 -14.508 -1.318 3.827 1.00 0.17 C ATOM 785 CG ASN A 51 -15.139 -2.485 3.060 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.476 -3.167 2.306 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.409 -2.738 3.217 1.00 0.32 N ATOM 0 H ASN A 51 -12.930 0.249 5.115 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.483 -2.680 5.148 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.227 -0.910 4.538 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.252 -0.515 3.136 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.843 -3.507 2.707 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.968 -2.166 3.850 1.00 0.32 H new ATOM 794 N VAL A 52 -11.101 -1.322 3.542 1.00 0.11 N ATOM 795 CA VAL A 52 -9.976 -1.573 2.590 1.00 0.10 C ATOM 796 C VAL A 52 -8.738 -1.989 3.381 1.00 0.10 C ATOM 797 O VAL A 52 -8.545 -1.585 4.511 1.00 0.11 O ATOM 798 CB VAL A 52 -9.672 -0.291 1.810 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.414 -0.491 0.949 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.868 0.058 0.913 1.00 0.12 C ATOM 0 H VAL A 52 -10.976 -0.514 4.151 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.253 -2.364 1.893 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.496 0.525 2.510 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.202 0.424 0.396 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.567 -0.731 1.592 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.579 -1.309 0.247 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.652 0.971 0.357 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.049 -0.758 0.214 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.754 0.210 1.530 1.00 0.12 H new ATOM 810 N ILE A 53 -7.902 -2.800 2.791 1.00 0.09 N ATOM 811 CA ILE A 53 -6.670 -3.264 3.491 1.00 0.09 C ATOM 812 C ILE A 53 -5.474 -2.443 2.996 1.00 0.09 C ATOM 813 O ILE A 53 -5.211 -2.369 1.814 1.00 0.14 O ATOM 814 CB ILE A 53 -6.441 -4.744 3.162 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.784 -5.501 3.163 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.462 -5.372 4.165 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.608 -5.208 4.432 1.00 0.17 C ATOM 0 H ILE A 53 -8.021 -3.164 1.846 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.781 -3.137 4.568 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.002 -4.819 2.167 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.361 -5.218 2.282 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.597 -6.572 3.091 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.311 -6.423 3.917 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.508 -4.847 4.119 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.872 -5.292 5.172 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.546 -5.761 4.392 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.043 -5.515 5.312 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.818 -4.140 4.491 1.00 0.17 H new ATOM 829 N PHE A 54 -4.748 -1.834 3.895 1.00 0.08 N ATOM 830 CA PHE A 54 -3.561 -1.020 3.494 1.00 0.08 C ATOM 831 C PHE A 54 -2.291 -1.750 3.921 1.00 0.08 C ATOM 832 O PHE A 54 -2.176 -2.219 5.035 1.00 0.11 O ATOM 833 CB PHE A 54 -3.617 0.340 4.192 1.00 0.08 C ATOM 834 CG PHE A 54 -4.840 1.089 3.716 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.885 1.586 2.403 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.930 1.289 4.581 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.020 2.282 1.953 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.064 1.986 4.131 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.110 2.482 2.818 1.00 0.09 C ATOM 0 H PHE A 54 -4.927 -1.865 4.899 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.562 -0.876 2.414 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.655 0.207 5.273 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.716 0.913 3.973 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.047 1.433 1.739 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.896 0.907 5.591 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.055 2.663 0.943 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.901 2.140 4.796 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.982 3.017 2.473 1.00 0.09 H new ATOM 849 N LEU A 55 -1.338 -1.856 3.034 1.00 0.08 N ATOM 850 CA LEU A 55 -0.062 -2.560 3.359 1.00 0.09 C ATOM 851 C LEU A 55 1.076 -1.534 3.368 1.00 0.09 C ATOM 852 O LEU A 55 0.913 -0.407 2.945 1.00 0.10 O ATOM 853 CB LEU A 55 0.220 -3.625 2.284 1.00 0.10 C ATOM 854 CG LEU A 55 -0.587 -4.907 2.551 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.082 -4.578 2.702 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.373 -5.884 1.380 1.00 0.12 C ATOM 0 H LEU A 55 -1.389 -1.481 2.087 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.138 -3.041 4.334 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.034 -3.230 1.300 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.285 -3.858 2.269 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.245 -5.365 3.479 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.639 -5.496 2.890 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.221 -3.891 3.537 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.447 -4.114 1.786 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.941 -6.797 1.559 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.713 -5.421 0.453 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.686 -6.126 1.297 1.00 0.12 H new ATOM 868 N GLU A 56 2.230 -1.928 3.837 1.00 0.09 N ATOM 869 CA GLU A 56 3.399 -1.001 3.872 1.00 0.09 C ATOM 870 C GLU A 56 4.643 -1.807 3.503 1.00 0.09 C ATOM 871 O GLU A 56 4.755 -2.969 3.836 1.00 0.10 O ATOM 872 CB GLU A 56 3.551 -0.416 5.280 1.00 0.09 C ATOM 873 CG GLU A 56 4.605 0.697 5.266 1.00 0.11 C ATOM 874 CD GLU A 56 4.559 1.458 6.593 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.834 0.849 7.613 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.253 2.639 6.563 1.00 1.31 O ATOM 0 H GLU A 56 2.414 -2.863 4.201 1.00 0.09 H new ATOM 0 HA GLU A 56 3.259 -0.178 3.171 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.596 -0.021 5.625 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.844 -1.199 5.980 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.597 0.272 5.112 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.419 1.379 4.436 1.00 0.11 H new ATOM 883 N VAL A 57 5.563 -1.218 2.783 1.00 0.08 N ATOM 884 CA VAL A 57 6.774 -1.984 2.360 1.00 0.08 C ATOM 885 C VAL A 57 8.028 -1.108 2.422 1.00 0.09 C ATOM 886 O VAL A 57 8.028 0.040 2.013 1.00 0.14 O ATOM 887 CB VAL A 57 6.570 -2.465 0.921 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.759 -3.332 0.501 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.283 -3.289 0.834 1.00 0.09 C ATOM 0 H VAL A 57 5.529 -0.247 2.472 1.00 0.08 H new ATOM 0 HA VAL A 57 6.911 -2.829 3.035 1.00 0.08 H new ATOM 0 HB VAL A 57 6.494 -1.603 0.258 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.615 -3.675 -0.523 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.676 -2.746 0.562 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.834 -4.193 1.165 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.139 -3.631 -0.191 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.357 -4.151 1.497 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.435 -2.673 1.134 1.00 0.09 H new ATOM 899 N ASP A 58 9.108 -1.668 2.911 1.00 0.09 N ATOM 900 CA ASP A 58 10.400 -0.923 2.989 1.00 0.09 C ATOM 901 C ASP A 58 11.239 -1.298 1.763 1.00 0.10 C ATOM 902 O ASP A 58 11.885 -2.327 1.726 1.00 0.11 O ATOM 903 CB ASP A 58 11.135 -1.328 4.275 1.00 0.11 C ATOM 904 CG ASP A 58 12.232 -0.313 4.598 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.316 -0.452 4.061 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.973 0.581 5.389 1.00 1.08 O ATOM 0 H ASP A 58 9.147 -2.624 3.264 1.00 0.09 H new ATOM 0 HA ASP A 58 10.228 0.153 3.005 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.429 -1.387 5.103 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.571 -2.320 4.156 1.00 0.11 H new ATOM 911 N VAL A 59 11.200 -0.487 0.743 1.00 0.12 N ATOM 912 CA VAL A 59 11.954 -0.798 -0.508 1.00 0.15 C ATOM 913 C VAL A 59 13.438 -1.046 -0.221 1.00 0.18 C ATOM 914 O VAL A 59 14.175 -1.451 -1.097 1.00 0.27 O ATOM 915 CB VAL A 59 11.821 0.384 -1.475 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.399 0.434 -2.039 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.119 1.685 -0.726 1.00 0.22 C ATOM 0 H VAL A 59 10.674 0.386 0.720 1.00 0.12 H new ATOM 0 HA VAL A 59 11.536 -1.705 -0.945 1.00 0.15 H new ATOM 0 HB VAL A 59 12.528 0.262 -2.296 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.309 1.276 -2.726 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.186 -0.493 -2.571 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.688 0.555 -1.222 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.026 2.528 -1.410 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.411 1.803 0.094 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.133 1.652 -0.328 1.00 0.22 H new ATOM 927 N ASP A 60 13.892 -0.792 0.979 1.00 0.16 N ATOM 928 CA ASP A 60 15.342 -0.993 1.292 1.00 0.18 C ATOM 929 C ASP A 60 15.548 -2.279 2.096 1.00 0.17 C ATOM 930 O ASP A 60 16.461 -3.040 1.838 1.00 0.18 O ATOM 931 CB ASP A 60 15.839 0.197 2.110 1.00 0.21 C ATOM 932 CG ASP A 60 15.903 1.442 1.222 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.846 1.550 0.456 1.00 1.11 O ATOM 934 OD2 ASP A 60 15.007 2.265 1.323 1.00 1.08 O ATOM 0 H ASP A 60 13.324 -0.455 1.756 1.00 0.16 H new ATOM 0 HA ASP A 60 15.899 -1.073 0.359 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.172 0.374 2.954 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.825 -0.019 2.522 1.00 0.21 H new ATOM 939 N ASP A 61 14.723 -2.522 3.078 1.00 0.17 N ATOM 940 CA ASP A 61 14.884 -3.753 3.912 1.00 0.17 C ATOM 941 C ASP A 61 14.018 -4.876 3.331 1.00 0.16 C ATOM 942 O ASP A 61 14.118 -6.018 3.732 1.00 0.18 O ATOM 943 CB ASP A 61 14.459 -3.437 5.355 1.00 0.19 C ATOM 944 CG ASP A 61 14.188 -4.735 6.124 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.086 -5.245 6.015 1.00 1.07 O ATOM 946 OD2 ASP A 61 15.089 -5.195 6.807 1.00 1.12 O ATOM 0 H ASP A 61 13.942 -1.921 3.341 1.00 0.17 H new ATOM 0 HA ASP A 61 15.925 -4.077 3.910 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.241 -2.866 5.855 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.564 -2.815 5.350 1.00 0.19 H new ATOM 951 N ALA A 62 13.179 -4.556 2.377 1.00 0.16 N ATOM 952 CA ALA A 62 12.306 -5.592 1.742 1.00 0.16 C ATOM 953 C ALA A 62 12.546 -5.577 0.232 1.00 0.16 C ATOM 954 O ALA A 62 11.624 -5.637 -0.557 1.00 0.15 O ATOM 955 CB ALA A 62 10.837 -5.274 2.032 1.00 0.17 C ATOM 0 H ALA A 62 13.061 -3.613 2.008 1.00 0.16 H new ATOM 0 HA ALA A 62 12.543 -6.576 2.146 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.203 -6.030 1.569 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.671 -5.272 3.109 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.590 -4.294 1.625 1.00 0.17 H new ATOM 961 N GLN A 63 13.783 -5.491 -0.173 1.00 0.20 N ATOM 962 CA GLN A 63 14.098 -5.464 -1.630 1.00 0.22 C ATOM 963 C GLN A 63 13.480 -6.685 -2.313 1.00 0.20 C ATOM 964 O GLN A 63 13.364 -6.737 -3.520 1.00 0.20 O ATOM 965 CB GLN A 63 15.617 -5.476 -1.827 1.00 0.29 C ATOM 966 CG GLN A 63 16.251 -6.524 -0.909 1.00 0.90 C ATOM 967 CD GLN A 63 17.755 -6.594 -1.177 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.463 -5.624 -0.993 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.278 -7.709 -1.607 1.00 2.22 N ATOM 0 H GLN A 63 14.593 -5.438 0.445 1.00 0.20 H new ATOM 0 HA GLN A 63 13.684 -4.558 -2.072 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.856 -5.698 -2.867 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.029 -4.491 -1.608 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.068 -6.267 0.134 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.794 -7.498 -1.082 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.685 -8.524 -1.762 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.280 -7.766 -1.788 1.00 2.22 H new ATOM 978 N ASP A 64 13.079 -7.669 -1.556 1.00 0.19 N ATOM 979 CA ASP A 64 12.469 -8.875 -2.177 1.00 0.20 C ATOM 980 C ASP A 64 11.094 -8.504 -2.734 1.00 0.17 C ATOM 981 O ASP A 64 10.714 -8.925 -3.809 1.00 0.19 O ATOM 982 CB ASP A 64 12.325 -9.972 -1.119 1.00 0.22 C ATOM 983 CG ASP A 64 11.730 -9.374 0.157 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.447 -8.670 0.849 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.567 -9.632 0.420 1.00 1.09 O ATOM 0 H ASP A 64 13.148 -7.689 -0.539 1.00 0.19 H new ATOM 0 HA ASP A 64 13.102 -9.241 -2.985 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.684 -10.771 -1.492 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.297 -10.417 -0.906 1.00 0.22 H new ATOM 990 N VAL A 65 10.354 -7.700 -2.022 1.00 0.15 N ATOM 991 CA VAL A 65 9.016 -7.283 -2.520 1.00 0.16 C ATOM 992 C VAL A 65 9.212 -6.262 -3.642 1.00 0.16 C ATOM 993 O VAL A 65 8.602 -6.347 -4.690 1.00 0.19 O ATOM 994 CB VAL A 65 8.223 -6.646 -1.378 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.776 -6.411 -1.822 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.235 -7.577 -0.164 1.00 0.18 C ATOM 0 H VAL A 65 10.620 -7.314 -1.116 1.00 0.15 H new ATOM 0 HA VAL A 65 8.468 -8.148 -2.894 1.00 0.16 H new ATOM 0 HB VAL A 65 8.680 -5.693 -1.112 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.214 -5.957 -1.006 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.764 -5.745 -2.685 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.319 -7.363 -2.092 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.670 -7.122 0.649 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.781 -8.531 -0.432 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.263 -7.743 0.157 1.00 0.18 H new ATOM 1006 N ALA A 66 10.072 -5.301 -3.433 1.00 0.16 N ATOM 1007 CA ALA A 66 10.323 -4.281 -4.487 1.00 0.18 C ATOM 1008 C ALA A 66 10.894 -4.975 -5.724 1.00 0.19 C ATOM 1009 O ALA A 66 10.632 -4.588 -6.845 1.00 0.20 O ATOM 1010 CB ALA A 66 11.325 -3.245 -3.973 1.00 0.22 C ATOM 0 H ALA A 66 10.611 -5.180 -2.576 1.00 0.16 H new ATOM 0 HA ALA A 66 9.390 -3.779 -4.742 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.507 -2.499 -4.747 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.921 -2.757 -3.086 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.262 -3.740 -3.719 1.00 0.22 H new ATOM 1016 N SER A 67 11.670 -6.007 -5.524 1.00 0.21 N ATOM 1017 CA SER A 67 12.253 -6.736 -6.683 1.00 0.26 C ATOM 1018 C SER A 67 11.121 -7.373 -7.494 1.00 0.26 C ATOM 1019 O SER A 67 11.067 -7.257 -8.703 1.00 0.29 O ATOM 1020 CB SER A 67 13.201 -7.825 -6.173 1.00 0.31 C ATOM 1021 OG SER A 67 14.403 -7.224 -5.710 1.00 1.29 O ATOM 0 H SER A 67 11.924 -6.375 -4.607 1.00 0.21 H new ATOM 0 HA SER A 67 12.809 -6.044 -7.315 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.728 -8.386 -5.367 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.420 -8.535 -6.970 1.00 0.31 H new ATOM 0 HG SER A 67 14.250 -6.824 -4.828 1.00 1.29 H new ATOM 1027 N GLU A 68 10.218 -8.043 -6.835 1.00 0.26 N ATOM 1028 CA GLU A 68 9.085 -8.690 -7.557 1.00 0.30 C ATOM 1029 C GLU A 68 8.207 -7.619 -8.211 1.00 0.31 C ATOM 1030 O GLU A 68 7.680 -7.809 -9.289 1.00 0.36 O ATOM 1031 CB GLU A 68 8.246 -9.497 -6.560 1.00 0.31 C ATOM 1032 CG GLU A 68 7.258 -10.394 -7.316 1.00 0.39 C ATOM 1033 CD GLU A 68 6.209 -10.937 -6.342 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.680 -10.151 -5.574 1.00 2.19 O ATOM 1035 OE2 GLU A 68 5.952 -12.129 -6.382 1.00 2.20 O ATOM 0 H GLU A 68 10.215 -8.171 -5.823 1.00 0.26 H new ATOM 0 HA GLU A 68 9.479 -9.352 -8.329 1.00 0.30 H new ATOM 0 HB2 GLU A 68 8.897 -10.106 -5.933 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.704 -8.822 -5.897 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.772 -9.828 -8.111 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.790 -11.219 -7.791 1.00 0.39 H new ATOM 1042 N ALA A 69 8.029 -6.500 -7.559 1.00 0.29 N ATOM 1043 CA ALA A 69 7.169 -5.423 -8.134 1.00 0.31 C ATOM 1044 C ALA A 69 8.000 -4.513 -9.044 1.00 0.29 C ATOM 1045 O ALA A 69 7.483 -3.605 -9.662 1.00 0.33 O ATOM 1046 CB ALA A 69 6.568 -4.597 -6.993 1.00 0.31 C ATOM 0 H ALA A 69 8.443 -6.285 -6.652 1.00 0.29 H new ATOM 0 HA ALA A 69 6.371 -5.876 -8.723 1.00 0.31 H new ATOM 0 HB1 ALA A 69 5.939 -3.809 -7.407 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.967 -5.243 -6.354 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.370 -4.150 -6.406 1.00 0.31 H new ATOM 1052 N GLU A 70 9.282 -4.744 -9.133 1.00 0.27 N ATOM 1053 CA GLU A 70 10.135 -3.886 -10.011 1.00 0.29 C ATOM 1054 C GLU A 70 9.860 -2.406 -9.717 1.00 0.25 C ATOM 1055 O GLU A 70 9.517 -1.643 -10.597 1.00 0.26 O ATOM 1056 CB GLU A 70 9.809 -4.178 -11.478 1.00 0.38 C ATOM 1057 CG GLU A 70 10.100 -5.651 -11.791 1.00 1.18 C ATOM 1058 CD GLU A 70 11.614 -5.880 -11.844 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.311 -4.991 -12.304 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.047 -6.940 -11.426 1.00 2.34 O ATOM 0 H GLU A 70 9.776 -5.487 -8.638 1.00 0.27 H new ATOM 0 HA GLU A 70 11.185 -4.104 -9.816 1.00 0.29 H new ATOM 0 HB2 GLU A 70 8.761 -3.954 -11.679 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.403 -3.534 -12.127 1.00 0.38 H new ATOM 0 HG2 GLU A 70 9.653 -6.290 -11.029 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.648 -5.926 -12.744 1.00 1.18 H new ATOM 1067 N VAL A 71 10.004 -1.998 -8.485 1.00 0.22 N ATOM 1068 CA VAL A 71 9.748 -0.570 -8.130 1.00 0.19 C ATOM 1069 C VAL A 71 10.949 0.286 -8.542 1.00 0.23 C ATOM 1070 O VAL A 71 12.087 -0.095 -8.355 1.00 0.28 O ATOM 1071 CB VAL A 71 9.532 -0.452 -6.620 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.090 0.972 -6.285 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.442 -1.433 -6.180 1.00 0.19 C ATOM 0 H VAL A 71 10.288 -2.593 -7.707 1.00 0.22 H new ATOM 0 HA VAL A 71 8.859 -0.221 -8.654 1.00 0.19 H new ATOM 0 HB VAL A 71 10.462 -0.683 -6.101 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.935 1.061 -5.210 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.860 1.676 -6.600 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.159 1.196 -6.806 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.289 -1.348 -5.104 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.512 -1.200 -6.698 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.748 -2.450 -6.424 1.00 0.19 H new ATOM 1083 N LYS A 72 10.696 1.440 -9.111 1.00 0.24 N ATOM 1084 CA LYS A 72 11.810 2.337 -9.553 1.00 0.29 C ATOM 1085 C LYS A 72 11.585 3.745 -8.992 1.00 0.26 C ATOM 1086 O LYS A 72 12.407 4.625 -9.158 1.00 0.27 O ATOM 1087 CB LYS A 72 11.832 2.411 -11.087 1.00 0.35 C ATOM 1088 CG LYS A 72 11.891 1.001 -11.700 1.00 0.43 C ATOM 1089 CD LYS A 72 13.323 0.456 -11.645 1.00 1.16 C ATOM 1090 CE LYS A 72 13.372 -0.913 -12.327 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.790 -1.351 -12.458 1.00 2.40 N ATOM 0 H LYS A 72 9.759 1.801 -9.289 1.00 0.24 H new ATOM 0 HA LYS A 72 12.757 1.940 -9.189 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.943 2.931 -11.444 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.694 2.992 -11.415 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.220 0.334 -11.159 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.546 1.032 -12.733 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.006 1.146 -12.141 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.652 0.371 -10.609 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.807 -1.642 -11.745 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.904 -0.859 -13.310 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.825 -2.281 -12.921 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.315 -0.660 -13.030 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.221 -1.418 -11.514 1.00 2.40 H new ATOM 1105 N ALA A 73 10.476 3.975 -8.340 1.00 0.22 N ATOM 1106 CA ALA A 73 10.208 5.340 -7.785 1.00 0.20 C ATOM 1107 C ALA A 73 9.273 5.240 -6.578 1.00 0.18 C ATOM 1108 O ALA A 73 8.291 4.535 -6.613 1.00 0.16 O ATOM 1109 CB ALA A 73 9.548 6.198 -8.874 1.00 0.21 C ATOM 0 H ALA A 73 9.747 3.283 -8.167 1.00 0.22 H new ATOM 0 HA ALA A 73 11.146 5.795 -7.468 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.348 7.195 -8.481 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.216 6.274 -9.732 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.611 5.735 -9.183 1.00 0.21 H new ATOM 1115 N THR A 74 9.558 5.962 -5.520 1.00 0.18 N ATOM 1116 CA THR A 74 8.669 5.930 -4.314 1.00 0.17 C ATOM 1117 C THR A 74 8.053 7.325 -4.117 1.00 0.17 C ATOM 1118 O THR A 74 8.686 8.308 -4.447 1.00 0.19 O ATOM 1119 CB THR A 74 9.496 5.586 -3.062 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.564 6.511 -2.936 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.074 4.167 -3.155 1.00 0.19 C ATOM 0 H THR A 74 10.370 6.574 -5.439 1.00 0.18 H new ATOM 0 HA THR A 74 7.892 5.179 -4.459 1.00 0.17 H new ATOM 0 HB THR A 74 8.840 5.640 -2.193 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.091 6.295 -2.139 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.653 3.951 -2.258 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.260 3.448 -3.244 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.720 4.094 -4.030 1.00 0.19 H new ATOM 1129 N PRO A 75 6.862 7.403 -3.554 1.00 0.17 N ATOM 1130 CA PRO A 75 6.046 6.238 -3.132 1.00 0.16 C ATOM 1131 C PRO A 75 5.374 5.596 -4.350 1.00 0.14 C ATOM 1132 O PRO A 75 4.936 6.280 -5.255 1.00 0.14 O ATOM 1133 CB PRO A 75 4.977 6.842 -2.199 1.00 0.17 C ATOM 1134 CG PRO A 75 5.032 8.383 -2.370 1.00 0.20 C ATOM 1135 CD PRO A 75 6.248 8.709 -3.259 1.00 0.19 C ATOM 0 HA PRO A 75 6.641 5.464 -2.647 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.987 6.462 -2.452 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.170 6.563 -1.163 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.113 8.751 -2.827 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.124 8.873 -1.401 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.944 9.218 -4.173 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.948 9.368 -2.745 1.00 0.19 H new ATOM 1143 N THR A 76 5.264 4.291 -4.365 1.00 0.13 N ATOM 1144 CA THR A 76 4.591 3.604 -5.509 1.00 0.12 C ATOM 1145 C THR A 76 3.306 2.971 -4.992 1.00 0.12 C ATOM 1146 O THR A 76 3.338 2.067 -4.180 1.00 0.18 O ATOM 1147 CB THR A 76 5.488 2.492 -6.075 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.835 2.928 -6.065 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.073 2.168 -7.516 1.00 0.13 C ATOM 0 H THR A 76 5.612 3.671 -3.633 1.00 0.13 H new ATOM 0 HA THR A 76 4.388 4.330 -6.296 1.00 0.12 H new ATOM 0 HB THR A 76 5.382 1.598 -5.460 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.899 3.802 -6.504 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.713 1.379 -7.910 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.036 1.834 -7.529 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.175 3.060 -8.133 1.00 0.13 H new ATOM 1157 N PHE A 77 2.176 3.419 -5.459 1.00 0.09 N ATOM 1158 CA PHE A 77 0.901 2.814 -4.989 1.00 0.09 C ATOM 1159 C PHE A 77 0.529 1.679 -5.928 1.00 0.09 C ATOM 1160 O PHE A 77 0.257 1.884 -7.094 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.213 3.859 -4.975 1.00 0.10 C ATOM 1162 CG PHE A 77 0.078 4.857 -3.886 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.139 4.499 -2.548 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.576 6.131 -4.206 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.141 5.416 -1.523 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.856 7.051 -3.183 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.638 6.695 -1.841 1.00 0.12 C ATOM 0 H PHE A 77 2.080 4.172 -6.140 1.00 0.09 H new ATOM 0 HA PHE A 77 1.029 2.437 -3.974 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.274 4.360 -5.941 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.178 3.381 -4.803 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.521 3.518 -2.306 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.743 6.402 -5.238 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.024 5.141 -0.492 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.238 8.031 -3.427 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.852 7.402 -1.053 1.00 0.12 H new ATOM 1177 N GLN A 78 0.517 0.482 -5.415 1.00 0.07 N ATOM 1178 CA GLN A 78 0.163 -0.699 -6.244 1.00 0.07 C ATOM 1179 C GLN A 78 -1.117 -1.297 -5.670 1.00 0.06 C ATOM 1180 O GLN A 78 -1.281 -1.392 -4.469 1.00 0.07 O ATOM 1181 CB GLN A 78 1.306 -1.718 -6.180 1.00 0.08 C ATOM 1182 CG GLN A 78 2.648 -0.981 -6.239 1.00 0.12 C ATOM 1183 CD GLN A 78 3.774 -1.979 -6.515 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.884 -1.591 -6.821 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.534 -3.259 -6.422 1.00 1.03 N ATOM 0 H GLN A 78 0.741 0.270 -4.443 1.00 0.07 H new ATOM 0 HA GLN A 78 0.009 -0.419 -7.286 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.238 -2.300 -5.261 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.228 -2.421 -7.009 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.623 -0.222 -7.021 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.831 -0.463 -5.297 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.603 -3.586 -6.165 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.278 -3.932 -6.606 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.038 -1.657 -6.516 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.336 -2.203 -6.031 1.00 0.07 C ATOM 1196 C PHE A 79 -3.405 -3.700 -6.303 1.00 0.07 C ATOM 1197 O PHE A 79 -3.209 -4.155 -7.412 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.471 -1.487 -6.768 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.469 -0.030 -6.364 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.444 0.814 -6.815 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.469 0.473 -5.519 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.419 2.165 -6.427 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.444 1.819 -5.122 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.420 2.666 -5.576 1.00 0.11 C ATOM 0 H PHE A 79 -1.948 -1.597 -7.530 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.428 -2.041 -4.957 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.339 -1.580 -7.846 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.429 -1.946 -6.523 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.672 0.425 -7.462 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.260 -0.176 -5.173 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.633 2.816 -6.781 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.212 2.203 -4.467 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.401 3.702 -5.272 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.697 -4.462 -5.283 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.802 -5.939 -5.434 1.00 0.08 C ATOM 1216 C PHE A 80 -5.203 -6.366 -5.016 1.00 0.11 C ATOM 1217 O PHE A 80 -5.880 -5.681 -4.276 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.767 -6.626 -4.532 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.391 -6.514 -5.149 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.979 -7.442 -6.123 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.520 -5.487 -4.749 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.302 -7.342 -6.694 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.761 -5.388 -5.320 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.171 -6.314 -6.291 1.00 0.14 C ATOM 0 H PHE A 80 -3.869 -4.117 -4.339 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.614 -6.223 -6.469 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.770 -6.166 -3.544 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.030 -7.675 -4.396 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.647 -8.232 -6.432 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.835 -4.773 -4.002 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.618 -8.055 -7.442 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.430 -4.598 -5.011 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.155 -6.237 -6.729 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.646 -7.491 -5.489 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.005 -7.966 -5.125 1.00 0.14 C ATOM 1236 C LYS A 81 -7.021 -9.483 -5.292 1.00 0.14 C ATOM 1237 O LYS A 81 -6.700 -9.998 -6.343 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.031 -7.303 -6.060 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.430 -7.321 -5.424 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.387 -6.432 -6.239 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.603 -6.055 -5.389 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.151 -5.296 -4.192 1.00 1.48 N ATOM 0 H LYS A 81 -5.124 -8.105 -6.114 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.259 -7.706 -4.097 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.732 -6.275 -6.267 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.053 -7.827 -7.016 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.810 -8.342 -5.388 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.376 -6.965 -4.395 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.869 -5.531 -6.567 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.710 -6.959 -7.137 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.298 -5.453 -5.975 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.140 -6.953 -5.083 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -11.902 -4.642 -3.892 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.941 -5.959 -3.419 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -10.294 -4.755 -4.427 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.356 -10.200 -4.257 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.359 -11.687 -4.349 1.00 0.20 C ATOM 1258 C LYS A 82 -5.966 -12.178 -4.751 1.00 0.20 C ATOM 1259 O LYS A 82 -5.795 -13.307 -5.165 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.381 -12.147 -5.398 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.807 -11.964 -4.859 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.812 -12.058 -6.013 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.210 -11.708 -5.502 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.653 -12.737 -4.521 1.00 1.67 N ATOM 0 H LYS A 82 -7.628 -9.821 -3.350 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.629 -12.102 -3.378 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.254 -11.574 -6.316 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.210 -13.194 -5.649 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.024 -12.727 -4.112 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.897 -10.998 -4.363 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.526 -11.378 -6.815 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.808 -13.064 -6.432 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.202 -10.724 -5.034 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.911 -11.659 -6.335 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -13.680 -12.662 -4.379 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.422 -13.684 -4.883 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.166 -12.585 -3.615 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.968 -11.343 -4.623 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.580 -11.764 -4.984 1.00 0.21 C ATOM 1280 C GLY A 83 -3.235 -11.306 -6.403 1.00 0.19 C ATOM 1281 O GLY A 83 -2.137 -11.528 -6.877 1.00 0.22 O ATOM 0 H GLY A 83 -5.054 -10.385 -4.283 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.869 -11.340 -4.275 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.492 -12.848 -4.914 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.157 -10.677 -7.092 1.00 0.16 N ATOM 1286 CA GLN A 84 -3.872 -10.216 -8.491 1.00 0.17 C ATOM 1287 C GLN A 84 -3.779 -8.689 -8.542 1.00 0.16 C ATOM 1288 O GLN A 84 -4.417 -7.991 -7.782 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.000 -10.672 -9.419 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.206 -12.181 -9.272 1.00 0.23 C ATOM 1291 CD GLN A 84 -3.917 -12.914 -9.648 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.742 -13.322 -10.778 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.001 -13.097 -8.737 1.00 2.08 N ATOM 0 H GLN A 84 -5.093 -10.463 -6.748 1.00 0.16 H new ATOM 0 HA GLN A 84 -2.923 -10.646 -8.812 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -5.922 -10.143 -9.175 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -4.756 -10.427 -10.453 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.487 -12.422 -8.247 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.024 -12.511 -9.913 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.150 -12.754 -7.788 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -2.136 -13.583 -8.974 1.00 2.08 H new ATOM 1302 N LYS A 85 -2.987 -8.172 -9.447 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.836 -6.693 -9.576 1.00 0.17 C ATOM 1304 C LYS A 85 -3.948 -6.143 -10.475 1.00 0.16 C ATOM 1305 O LYS A 85 -4.357 -6.780 -11.425 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.468 -6.375 -10.182 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.107 -4.917 -9.881 1.00 0.25 C ATOM 1308 CD LYS A 85 0.255 -4.572 -10.489 1.00 0.30 C ATOM 1309 CE LYS A 85 1.354 -5.469 -9.898 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.483 -6.703 -10.724 1.00 1.70 N ATOM 0 H LYS A 85 -2.434 -8.718 -10.108 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.910 -6.228 -8.593 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.711 -7.042 -9.769 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.487 -6.542 -11.259 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.872 -4.255 -10.286 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.083 -4.756 -8.803 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.219 -4.697 -11.571 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.490 -3.525 -10.297 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.303 -4.933 -9.875 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.110 -5.731 -8.868 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.292 -7.538 -10.134 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.800 -6.669 -11.507 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.447 -6.764 -11.108 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.447 -4.970 -10.169 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.550 -4.371 -10.988 1.00 0.16 C ATOM 1326 C VAL A 86 -5.170 -2.953 -11.433 1.00 0.18 C ATOM 1327 O VAL A 86 -5.713 -2.433 -12.389 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.827 -4.321 -10.140 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.419 -5.727 -10.019 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.493 -3.795 -8.741 1.00 0.17 C ATOM 0 H VAL A 86 -4.137 -4.398 -9.383 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.716 -4.982 -11.875 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.549 -3.660 -10.618 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.326 -5.689 -9.416 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.659 -6.108 -11.012 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.694 -6.387 -9.543 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.401 -3.760 -8.139 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.769 -4.457 -8.267 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.071 -2.793 -8.820 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.250 -2.317 -10.759 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.859 -0.934 -11.166 1.00 0.18 C ATOM 1342 C GLY A 87 -2.653 -0.468 -10.346 1.00 0.10 C ATOM 1343 O GLY A 87 -2.206 -1.149 -9.444 1.00 0.08 O ATOM 0 H GLY A 87 -3.755 -2.691 -9.950 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.616 -0.914 -12.228 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.696 -0.252 -11.017 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.121 0.689 -10.650 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.944 1.187 -9.881 1.00 0.10 C ATOM 1349 C GLU A 88 -0.597 2.615 -10.310 1.00 0.10 C ATOM 1350 O GLU A 88 -0.860 3.024 -11.422 1.00 0.11 O ATOM 1351 CB GLU A 88 0.260 0.280 -10.152 1.00 0.17 C ATOM 1352 CG GLU A 88 0.376 0.021 -11.659 1.00 0.25 C ATOM 1353 CD GLU A 88 1.747 -0.581 -11.976 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.739 0.049 -11.647 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.783 -1.662 -12.542 1.00 1.94 O ATOM 0 H GLU A 88 -2.449 1.306 -11.393 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.188 1.180 -8.819 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.172 0.748 -9.781 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.146 -0.663 -9.618 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.413 -0.657 -11.983 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.241 0.952 -12.209 1.00 0.25 H new ATOM 1362 N PHE A 89 0.025 3.363 -9.437 1.00 0.09 N ATOM 1363 CA PHE A 89 0.427 4.756 -9.790 1.00 0.09 C ATOM 1364 C PHE A 89 1.357 5.318 -8.707 1.00 0.09 C ATOM 1365 O PHE A 89 1.081 5.224 -7.532 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.815 5.651 -9.967 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.401 6.076 -8.630 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.749 7.050 -7.848 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.616 5.521 -8.181 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.307 7.460 -6.626 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.171 5.933 -6.956 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.516 6.902 -6.180 1.00 0.11 C ATOM 0 H PHE A 89 0.272 3.068 -8.492 1.00 0.09 H new ATOM 0 HA PHE A 89 0.964 4.740 -10.738 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.546 6.536 -10.543 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.571 5.114 -10.541 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.181 7.482 -8.189 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.122 4.778 -8.779 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.805 8.206 -6.028 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.101 5.504 -6.613 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.942 7.219 -5.239 1.00 0.11 H new ATOM 1382 N SER A 90 2.460 5.904 -9.100 1.00 0.13 N ATOM 1383 CA SER A 90 3.413 6.484 -8.102 1.00 0.14 C ATOM 1384 C SER A 90 3.270 8.009 -8.100 1.00 0.14 C ATOM 1385 O SER A 90 2.289 8.550 -8.573 1.00 0.17 O ATOM 1386 CB SER A 90 4.843 6.107 -8.490 1.00 0.15 C ATOM 1387 OG SER A 90 5.298 6.981 -9.514 1.00 0.16 O ATOM 0 H SER A 90 2.744 6.007 -10.074 1.00 0.13 H new ATOM 0 HA SER A 90 3.191 6.093 -7.109 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.498 6.175 -7.621 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.878 5.074 -8.836 1.00 0.15 H new ATOM 0 HG SER A 90 5.928 7.629 -9.135 1.00 0.16 H new ATOM 1393 N GLY A 91 4.242 8.708 -7.575 1.00 0.12 N ATOM 1394 CA GLY A 91 4.160 10.199 -7.545 1.00 0.13 C ATOM 1395 C GLY A 91 3.298 10.641 -6.362 1.00 0.13 C ATOM 1396 O GLY A 91 2.235 10.104 -6.120 1.00 0.13 O ATOM 0 H GLY A 91 5.088 8.312 -7.166 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.159 10.627 -7.460 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.733 10.569 -8.477 1.00 0.13 H new ATOM 1400 N ALA A 92 3.752 11.611 -5.613 1.00 0.15 N ATOM 1401 CA ALA A 92 2.959 12.075 -4.436 1.00 0.17 C ATOM 1402 C ALA A 92 1.553 12.509 -4.871 1.00 0.15 C ATOM 1403 O ALA A 92 1.347 13.630 -5.293 1.00 0.16 O ATOM 1404 CB ALA A 92 3.665 13.266 -3.781 1.00 0.20 C ATOM 0 H ALA A 92 4.634 12.101 -5.764 1.00 0.15 H new ATOM 0 HA ALA A 92 2.876 11.251 -3.728 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.086 13.605 -2.922 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.659 12.964 -3.452 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.753 14.078 -4.502 1.00 0.20 H new ATOM 1410 N ASN A 93 0.582 11.641 -4.738 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.820 12.011 -5.105 1.00 0.13 C ATOM 1412 C ASN A 93 -1.778 11.384 -4.084 1.00 0.12 C ATOM 1413 O ASN A 93 -2.474 10.430 -4.371 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.144 11.496 -6.516 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.329 12.279 -7.086 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.344 12.620 -8.252 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.330 12.579 -6.305 1.00 1.15 N ATOM 0 H ASN A 93 0.700 10.689 -4.390 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.932 13.095 -5.097 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.275 11.608 -7.164 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.380 10.432 -6.481 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.126 13.100 -6.673 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.317 12.292 -5.326 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.803 11.906 -2.888 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.696 11.334 -1.838 1.00 0.20 C ATOM 1426 C LYS A 94 -4.165 11.489 -2.243 1.00 0.18 C ATOM 1427 O LYS A 94 -5.002 10.682 -1.892 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.452 12.060 -0.508 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.469 13.592 -0.717 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.036 14.153 -0.801 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.493 14.414 0.608 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.883 14.975 0.511 1.00 1.19 N ATOM 0 H LYS A 94 -1.243 12.705 -2.591 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.472 10.273 -1.726 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.218 11.777 0.214 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.493 11.754 -0.091 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.012 13.832 -1.631 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.003 14.069 0.105 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.390 13.447 -1.324 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.032 15.077 -1.379 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.145 15.109 1.138 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.480 13.488 1.182 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.254 15.153 1.466 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.501 14.297 0.021 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.857 15.868 -0.022 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.490 12.521 -2.969 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.906 12.724 -3.380 1.00 0.20 C ATOM 1448 C GLU A 95 -6.320 11.614 -4.349 1.00 0.17 C ATOM 1449 O GLU A 95 -7.466 11.215 -4.400 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.036 14.082 -4.075 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.909 15.211 -3.044 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.206 15.319 -2.237 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.082 16.057 -2.658 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -7.300 14.665 -1.212 1.00 1.95 O ATOM 0 H GLU A 95 -3.836 13.233 -3.296 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.551 12.697 -2.502 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.264 14.185 -4.837 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.997 14.149 -4.584 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.069 15.015 -2.377 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.703 16.155 -3.548 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.395 11.120 -5.123 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.729 10.044 -6.096 1.00 0.14 C ATOM 1463 C LYS A 96 -6.081 8.759 -5.346 1.00 0.12 C ATOM 1464 O LYS A 96 -6.920 7.996 -5.779 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.538 9.795 -7.023 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.901 8.712 -8.041 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.809 8.614 -9.111 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.286 7.718 -10.259 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.249 8.475 -11.108 1.00 2.05 N ATOM 0 H LYS A 96 -4.419 11.416 -5.123 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.586 10.355 -6.693 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.266 10.716 -7.538 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.669 9.486 -6.442 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.016 7.752 -7.538 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.859 8.945 -8.507 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.567 9.607 -9.489 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.896 8.208 -8.676 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.436 7.390 -10.857 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.761 6.821 -9.862 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.366 7.987 -12.019 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -6.168 8.531 -10.625 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.885 9.435 -11.274 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.460 8.510 -4.221 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.792 7.267 -3.462 1.00 0.11 C ATOM 1485 C LEU A 97 -7.307 7.197 -3.278 1.00 0.11 C ATOM 1486 O LEU A 97 -7.903 6.137 -3.310 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.125 7.306 -2.077 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.649 6.897 -2.171 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.979 7.174 -0.818 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.531 5.399 -2.530 1.00 0.13 C ATOM 0 H LEU A 97 -4.747 9.105 -3.800 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.432 6.397 -4.012 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.203 8.310 -1.659 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.650 6.636 -1.397 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.154 7.473 -2.953 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.928 6.889 -0.867 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.056 8.236 -0.584 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.476 6.594 -0.040 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.479 5.122 -2.594 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.018 4.801 -1.760 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.013 5.216 -3.490 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.930 8.323 -3.085 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.407 8.333 -2.896 1.00 0.14 C ATOM 1504 C GLU A 98 -10.090 7.890 -4.193 1.00 0.13 C ATOM 1505 O GLU A 98 -10.881 6.968 -4.211 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.859 9.756 -2.537 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.261 9.722 -1.911 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.160 9.296 -0.444 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.097 8.851 -0.048 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.148 9.429 0.260 1.00 2.05 O ATOM 0 H GLU A 98 -7.481 9.238 -3.050 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.680 7.649 -2.093 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.152 10.206 -1.840 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.866 10.380 -3.431 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.726 10.705 -1.983 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.898 9.027 -2.459 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.800 8.561 -5.273 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.436 8.212 -6.576 1.00 0.14 C ATOM 1519 C ALA A 99 -10.109 6.771 -6.976 1.00 0.12 C ATOM 1520 O ALA A 99 -10.956 6.055 -7.467 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.919 9.165 -7.656 1.00 0.15 C ATOM 0 H ALA A 99 -9.145 9.342 -5.310 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.517 8.305 -6.473 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.380 8.916 -8.612 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.172 10.191 -7.388 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.836 9.068 -7.739 1.00 0.15 H new ATOM 1527 N THR A 100 -8.886 6.343 -6.802 1.00 0.11 N ATOM 1528 CA THR A 100 -8.520 4.956 -7.214 1.00 0.11 C ATOM 1529 C THR A 100 -9.235 3.929 -6.330 1.00 0.10 C ATOM 1530 O THR A 100 -9.788 2.961 -6.816 1.00 0.11 O ATOM 1531 CB THR A 100 -7.005 4.765 -7.099 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.348 5.844 -7.745 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.594 3.448 -7.764 1.00 0.12 C ATOM 0 H THR A 100 -8.128 6.891 -6.394 1.00 0.11 H new ATOM 0 HA THR A 100 -8.829 4.806 -8.248 1.00 0.11 H new ATOM 0 HB THR A 100 -6.724 4.737 -6.046 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.494 5.534 -8.112 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.515 3.318 -7.679 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.099 2.618 -7.270 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.875 3.469 -8.817 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.231 4.125 -5.043 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.916 3.151 -4.143 1.00 0.11 C ATOM 1543 C ILE A 101 -11.408 3.119 -4.485 1.00 0.13 C ATOM 1544 O ILE A 101 -11.980 2.070 -4.696 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.720 3.583 -2.679 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.256 3.336 -2.264 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.660 2.777 -1.768 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.903 4.151 -1.011 1.00 0.18 C ATOM 0 H ILE A 101 -8.786 4.914 -4.574 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.493 2.156 -4.279 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.952 4.644 -2.581 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.102 2.275 -2.069 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.590 3.610 -3.082 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.517 3.087 -0.733 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.694 2.957 -2.061 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.436 1.714 -1.863 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.866 3.962 -0.735 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.036 5.213 -1.218 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.556 3.857 -0.190 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.039 4.257 -4.537 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.496 4.290 -4.856 1.00 0.17 C ATOM 1562 C ASN A 102 -13.734 3.676 -6.238 1.00 0.18 C ATOM 1563 O ASN A 102 -14.837 3.300 -6.580 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.980 5.743 -4.849 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.509 5.780 -4.864 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.155 4.763 -4.715 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.118 6.921 -5.039 1.00 1.03 N ATOM 0 H ASN A 102 -11.610 5.168 -4.373 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.047 3.717 -4.110 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.603 6.257 -3.965 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.586 6.271 -5.717 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.137 6.959 -5.051 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.575 7.775 -5.164 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.708 3.585 -7.038 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.866 3.010 -8.405 1.00 0.18 C ATOM 1576 C GLU A 103 -12.971 1.484 -8.330 1.00 0.19 C ATOM 1577 O GLU A 103 -13.952 0.896 -8.739 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.645 3.389 -9.255 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.986 3.265 -10.747 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.863 4.445 -11.175 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.572 5.554 -10.761 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.809 4.217 -11.910 1.00 2.01 O ATOM 0 H GLU A 103 -11.762 3.885 -6.803 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.776 3.408 -8.855 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.336 4.409 -9.028 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.805 2.739 -9.010 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.071 3.246 -11.339 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.506 2.326 -10.934 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.944 0.841 -7.844 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.941 -0.651 -7.776 1.00 0.19 C ATOM 1591 C LEU A 104 -12.485 -1.129 -6.424 1.00 0.19 C ATOM 1592 O LEU A 104 -12.231 -2.241 -6.004 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.500 -1.143 -7.959 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.961 -0.686 -9.331 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.429 -0.736 -9.333 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.492 -1.600 -10.444 1.00 0.35 C ATOM 0 H LEU A 104 -11.099 1.288 -7.488 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.580 -1.053 -8.562 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.869 -0.752 -7.161 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.466 -2.230 -7.888 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.297 0.335 -9.511 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.056 -0.412 -10.305 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.042 -0.075 -8.557 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.098 -1.756 -9.139 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.103 -1.265 -11.406 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.169 -2.624 -10.259 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.581 -1.560 -10.459 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.240 -0.311 -5.742 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.802 -0.741 -4.428 1.00 0.22 C ATOM 1610 C VAL A 105 -14.755 -1.919 -4.646 1.00 0.26 C ATOM 1611 O VAL A 105 -15.370 -1.972 -5.696 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.565 0.422 -3.788 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.679 0.885 -4.730 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.170 -0.031 -2.454 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.851 -2.749 -3.755 1.00 1.18 O ATOM 0 H VAL A 105 -13.492 0.633 -6.036 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.990 -1.045 -3.768 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.879 1.250 -3.608 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.221 1.713 -4.273 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.244 1.213 -5.674 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.366 0.059 -4.915 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.713 0.798 -2.000 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.855 -0.861 -2.628 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.373 -0.353 -1.784 1.00 0.27 H new ATOM 1692 N ARG B 4 18.278 3.313 -1.646 1.00 0.00 N ATOM 1693 CA ARG B 4 17.886 2.552 -2.870 1.00 0.00 C ATOM 1694 C ARG B 4 17.787 3.534 -4.055 1.00 0.00 C ATOM 1695 O ARG B 4 18.795 3.975 -4.570 1.00 0.00 O ATOM 1696 CB ARG B 4 16.539 1.838 -2.605 1.00 0.00 C ATOM 1697 CG ARG B 4 16.762 0.333 -2.364 1.00 0.00 C ATOM 1698 CD ARG B 4 16.895 -0.399 -3.705 1.00 0.00 C ATOM 1699 NE ARG B 4 16.997 -1.864 -3.460 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.801 -2.709 -4.438 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.498 -2.273 -5.631 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.904 -3.991 -4.220 1.00 0.00 N ATOM 0 HA ARG B 4 18.630 1.794 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.050 2.282 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.872 1.981 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.661 0.181 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.929 -0.080 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.033 -0.184 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.777 -0.046 -4.239 1.00 0.00 H new ATOM 0 HE ARG B 4 17.220 -2.209 -2.527 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.414 -1.271 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.346 -2.935 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.137 -4.333 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.751 -4.652 -4.982 1.00 0.00 H new ATOM 1716 N TYR B 5 16.596 3.889 -4.492 1.00 0.00 N ATOM 1717 CA TYR B 5 16.464 4.848 -5.640 1.00 0.00 C ATOM 1718 C TYR B 5 15.871 6.183 -5.160 1.00 0.00 C ATOM 1719 O TYR B 5 15.841 6.469 -3.978 1.00 0.00 O ATOM 1720 CB TYR B 5 15.609 4.227 -6.760 1.00 0.00 C ATOM 1721 CG TYR B 5 14.464 3.423 -6.190 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.683 2.111 -5.737 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.172 3.971 -6.148 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.613 1.352 -5.233 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.103 3.212 -5.649 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.322 1.903 -5.189 1.00 0.00 C ATOM 1727 OH TYR B 5 11.271 1.159 -4.697 1.00 0.00 O ATOM 0 H TYR B 5 15.713 3.556 -4.104 1.00 0.00 H new ATOM 0 HA TYR B 5 17.455 5.050 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.219 5.016 -7.403 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.232 3.586 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.675 1.685 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.001 4.978 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.783 0.346 -4.880 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.110 3.635 -5.618 1.00 0.00 H new ATOM 0 HH TYR B 5 11.595 0.275 -4.424 1.00 0.00 H new ATOM 1737 N VAL B 6 15.467 7.027 -6.074 1.00 0.00 N ATOM 1738 CA VAL B 6 14.954 8.381 -5.690 1.00 0.00 C ATOM 1739 C VAL B 6 13.507 8.338 -5.194 1.00 0.00 C ATOM 1740 O VAL B 6 12.697 7.547 -5.641 1.00 0.00 O ATOM 1741 CB VAL B 6 15.018 9.302 -6.914 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.997 10.764 -6.463 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.301 9.029 -7.696 1.00 0.00 C ATOM 0 H VAL B 6 15.470 6.837 -7.076 1.00 0.00 H new ATOM 0 HA VAL B 6 15.579 8.750 -4.877 1.00 0.00 H new ATOM 0 HB VAL B 6 14.156 9.109 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.043 11.415 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.078 10.961 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.855 10.959 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.344 9.685 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.164 9.217 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.313 7.990 -8.025 1.00 0.00 H new ATOM 1753 N CYS B 7 13.176 9.238 -4.300 1.00 0.00 N ATOM 1754 CA CYS B 7 11.781 9.336 -3.778 1.00 0.00 C ATOM 1755 C CYS B 7 11.078 10.505 -4.474 1.00 0.00 C ATOM 1756 O CYS B 7 11.214 11.644 -4.072 1.00 0.00 O ATOM 1757 CB CYS B 7 11.808 9.594 -2.267 1.00 0.00 C ATOM 1758 SG CYS B 7 13.116 8.616 -1.493 1.00 0.00 S ATOM 0 H CYS B 7 13.825 9.918 -3.905 1.00 0.00 H new ATOM 0 HA CYS B 7 11.250 8.404 -3.973 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.973 10.654 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.844 9.337 -1.829 1.00 0.00 H new ATOM 1763 N GLU B 8 10.342 10.249 -5.522 1.00 0.00 N ATOM 1764 CA GLU B 8 9.658 11.372 -6.228 1.00 0.00 C ATOM 1765 C GLU B 8 8.337 11.703 -5.531 1.00 0.00 C ATOM 1766 O GLU B 8 7.307 11.888 -6.159 1.00 0.00 O ATOM 1767 CB GLU B 8 9.394 10.994 -7.689 1.00 0.00 C ATOM 1768 CG GLU B 8 8.931 9.535 -7.774 1.00 0.00 C ATOM 1769 CD GLU B 8 8.233 9.298 -9.117 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.913 9.332 -10.129 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.032 9.085 -9.109 1.00 0.00 O ATOM 0 H GLU B 8 10.185 9.322 -5.917 1.00 0.00 H new ATOM 0 HA GLU B 8 10.305 12.249 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.634 11.651 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.300 11.132 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.785 8.865 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.250 9.310 -6.953 1.00 0.00 H new ATOM 1778 N GLY B 9 8.367 11.827 -4.237 1.00 0.00 N ATOM 1779 CA GLY B 9 7.129 12.204 -3.511 1.00 0.00 C ATOM 1780 C GLY B 9 6.903 13.706 -3.764 1.00 0.00 C ATOM 1781 O GLY B 9 6.980 14.133 -4.901 1.00 0.00 O ATOM 0 H GLY B 9 9.191 11.684 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.280 11.620 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.230 12.003 -2.445 1.00 0.00 H new ATOM 1785 N PRO B 10 6.676 14.494 -2.731 1.00 0.00 N ATOM 1786 CA PRO B 10 6.496 15.945 -2.915 1.00 0.00 C ATOM 1787 C PRO B 10 7.844 16.558 -3.320 1.00 0.00 C ATOM 1788 O PRO B 10 8.103 17.724 -3.096 1.00 0.00 O ATOM 1789 CB PRO B 10 6.043 16.468 -1.537 1.00 0.00 C ATOM 1790 CG PRO B 10 6.150 15.287 -0.536 1.00 0.00 C ATOM 1791 CD PRO B 10 6.560 14.033 -1.331 1.00 0.00 C ATOM 0 HA PRO B 10 5.771 16.197 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.670 17.301 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.019 16.840 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.886 15.507 0.237 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.197 15.125 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.504 13.626 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.815 13.243 -1.235 1.00 0.00 H new ATOM 1799 N SER B 11 8.704 15.767 -3.907 1.00 0.00 N ATOM 1800 CA SER B 11 10.043 16.279 -4.321 1.00 0.00 C ATOM 1801 C SER B 11 9.916 17.031 -5.645 1.00 0.00 C ATOM 1802 O SER B 11 10.797 17.773 -6.034 1.00 0.00 O ATOM 1803 CB SER B 11 11.007 15.101 -4.492 1.00 0.00 C ATOM 1804 OG SER B 11 12.265 15.586 -4.940 1.00 0.00 O ATOM 0 H SER B 11 8.535 14.784 -4.118 1.00 0.00 H new ATOM 0 HA SER B 11 10.426 16.955 -3.557 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.124 14.572 -3.546 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.603 14.387 -5.209 1.00 0.00 H new ATOM 0 HG SER B 11 12.159 16.494 -5.293 1.00 0.00 H new