USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 53 THR OG1 : rot 14:sc= 1.15 USER MOD Set 1.2: A 56 SER OG : rot -132:sc= 2.75 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 127:sc= 0.0834 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -0.887 (180deg=-2.61!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= -0.691 (180deg=-2.38!) USER MOD Single : A 29 SER OG : rot 67:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 107:sc= 0.313 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0347 K(o=-0.035,f=-7.9!) USER MOD Single : A 50 SER OG : rot -160:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.567 (180deg=-2.46!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -144:sc= 0.891 USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= 1.38 (180deg=0.187) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0138 (180deg=-0.208) USER MOD Single : A 78 THR OG1 : rot -82:sc= 0.899 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.4) USER MOD Single : A 87 HIS : no HD1:sc= 0.983 K(o=0.98,f=-5.7!) USER MOD Single : A 88 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0.0071) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 91 HIS : no HE2:sc= -0.114 X(o=-0.11,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.525 -11.073 -15.491 1.00 45.42 N ATOM 2 CA ALA A 1 10.278 -10.025 -16.205 1.00 41.22 C ATOM 3 C ALA A 1 9.993 -8.667 -15.589 1.00 61.41 C ATOM 4 O ALA A 1 8.965 -8.480 -14.938 1.00 40.25 O ATOM 5 CB ALA A 1 9.918 -10.026 -17.686 1.00 4.31 C ATOM 0 H1 ALA A 1 8.974 -11.631 -16.174 1.00 45.42 H new ATOM 0 H2 ALA A 1 10.189 -11.697 -14.989 1.00 45.42 H new ATOM 0 H3 ALA A 1 8.880 -10.631 -14.805 1.00 45.42 H new ATOM 0 HA ALA A 1 11.344 -10.234 -16.112 1.00 41.22 H new ATOM 0 HB1 ALA A 1 10.482 -9.247 -18.198 1.00 4.31 H new ATOM 0 HB2 ALA A 1 10.163 -10.996 -18.119 1.00 4.31 H new ATOM 0 HB3 ALA A 1 8.851 -9.836 -17.801 1.00 4.31 H new ATOM 13 N GLY A 2 10.907 -7.734 -15.786 1.00 64.23 N ATOM 14 CA GLY A 2 10.730 -6.403 -15.253 1.00 61.44 C ATOM 15 C GLY A 2 11.464 -6.207 -13.946 1.00 52.42 C ATOM 16 O GLY A 2 10.887 -6.357 -12.868 1.00 73.43 O ATOM 0 H GLY A 2 11.772 -7.875 -16.308 1.00 64.23 H new ATOM 0 HA2 GLY A 2 11.085 -5.673 -15.980 1.00 61.44 H new ATOM 0 HA3 GLY A 2 9.667 -6.212 -15.103 1.00 61.44 H new ATOM 20 N GLU A 3 12.745 -5.884 -14.038 1.00 5.03 N ATOM 21 CA GLU A 3 13.540 -5.608 -12.857 1.00 60.55 C ATOM 22 C GLU A 3 13.504 -4.119 -12.554 1.00 42.25 C ATOM 23 O GLU A 3 13.600 -3.286 -13.457 1.00 14.05 O ATOM 24 CB GLU A 3 14.984 -6.070 -13.055 1.00 41.24 C ATOM 25 CG GLU A 3 15.864 -5.878 -11.829 1.00 63.31 C ATOM 26 CD GLU A 3 17.310 -6.240 -12.086 1.00 13.04 C ATOM 27 OE1 GLU A 3 18.001 -5.467 -12.786 1.00 1.03 O ATOM 28 OE2 GLU A 3 17.760 -7.292 -11.595 1.00 31.01 O ATOM 0 H GLU A 3 13.254 -5.807 -14.919 1.00 5.03 H new ATOM 0 HA GLU A 3 13.119 -6.158 -12.016 1.00 60.55 H new ATOM 0 HB2 GLU A 3 14.984 -7.125 -13.329 1.00 41.24 H new ATOM 0 HB3 GLU A 3 15.419 -5.524 -13.892 1.00 41.24 H new ATOM 0 HG2 GLU A 3 15.806 -4.839 -11.504 1.00 63.31 H new ATOM 0 HG3 GLU A 3 15.480 -6.489 -11.012 1.00 63.31 H new ATOM 35 N ILE A 4 13.354 -3.798 -11.286 1.00 1.32 N ATOM 36 CA ILE A 4 13.267 -2.420 -10.843 1.00 4.40 C ATOM 37 C ILE A 4 14.397 -2.153 -9.858 1.00 41.53 C ATOM 38 O ILE A 4 15.038 -3.095 -9.394 1.00 72.10 O ATOM 39 CB ILE A 4 11.895 -2.130 -10.175 1.00 61.34 C ATOM 40 CG1 ILE A 4 10.764 -2.805 -10.964 1.00 24.24 C ATOM 41 CG2 ILE A 4 11.643 -0.630 -10.096 1.00 21.32 C ATOM 42 CD1 ILE A 4 9.395 -2.637 -10.336 1.00 5.51 C ATOM 0 H ILE A 4 13.289 -4.483 -10.533 1.00 1.32 H new ATOM 0 HA ILE A 4 13.358 -1.761 -11.707 1.00 4.40 H new ATOM 0 HB ILE A 4 11.916 -2.536 -9.164 1.00 61.34 H new ATOM 0 HG12 ILE A 4 10.743 -2.395 -11.974 1.00 24.24 H new ATOM 0 HG13 ILE A 4 10.983 -3.869 -11.057 1.00 24.24 H new ATOM 0 HG21 ILE A 4 10.677 -0.448 -9.625 1.00 21.32 H new ATOM 0 HG22 ILE A 4 12.429 -0.160 -9.505 1.00 21.32 H new ATOM 0 HG23 ILE A 4 11.642 -0.208 -11.101 1.00 21.32 H new ATOM 0 HD11 ILE A 4 8.649 -3.141 -10.950 1.00 5.51 H new ATOM 0 HD12 ILE A 4 9.397 -3.073 -9.337 1.00 5.51 H new ATOM 0 HD13 ILE A 4 9.153 -1.576 -10.268 1.00 5.51 H new ATOM 54 N GLY A 5 14.656 -0.885 -9.554 1.00 22.34 N ATOM 55 CA GLY A 5 15.717 -0.531 -8.619 1.00 13.41 C ATOM 56 C GLY A 5 15.374 -0.851 -7.173 1.00 52.42 C ATOM 57 O GLY A 5 15.538 -0.015 -6.284 1.00 51.02 O ATOM 0 H GLY A 5 14.148 -0.089 -9.940 1.00 22.34 H new ATOM 0 HA2 GLY A 5 16.628 -1.062 -8.895 1.00 13.41 H new ATOM 0 HA3 GLY A 5 15.930 0.534 -8.708 1.00 13.41 H new ATOM 61 N PHE A 6 14.903 -2.062 -6.954 1.00 64.12 N ATOM 62 CA PHE A 6 14.570 -2.557 -5.635 1.00 61.04 C ATOM 63 C PHE A 6 15.122 -3.968 -5.484 1.00 14.41 C ATOM 64 O PHE A 6 15.664 -4.525 -6.438 1.00 61.11 O ATOM 65 CB PHE A 6 13.054 -2.570 -5.425 1.00 3.25 C ATOM 66 CG PHE A 6 12.421 -1.206 -5.409 1.00 25.33 C ATOM 67 CD1 PHE A 6 12.525 -0.393 -4.293 1.00 0.21 C ATOM 68 CD2 PHE A 6 11.717 -0.744 -6.508 1.00 53.31 C ATOM 69 CE1 PHE A 6 11.938 0.856 -4.273 1.00 72.12 C ATOM 70 CE2 PHE A 6 11.129 0.507 -6.494 1.00 42.13 C ATOM 71 CZ PHE A 6 11.240 1.307 -5.376 1.00 14.31 C ATOM 0 H PHE A 6 14.739 -2.739 -7.699 1.00 64.12 H new ATOM 0 HA PHE A 6 15.011 -1.899 -4.887 1.00 61.04 H new ATOM 0 HB2 PHE A 6 12.594 -3.162 -6.216 1.00 3.25 H new ATOM 0 HB3 PHE A 6 12.834 -3.071 -4.483 1.00 3.25 H new ATOM 0 HD1 PHE A 6 13.072 -0.740 -3.429 1.00 0.21 H new ATOM 0 HD2 PHE A 6 11.626 -1.367 -7.385 1.00 53.31 H new ATOM 0 HE1 PHE A 6 12.024 1.480 -3.396 1.00 72.12 H new ATOM 0 HE2 PHE A 6 10.583 0.858 -7.358 1.00 42.13 H new ATOM 0 HZ PHE A 6 10.782 2.285 -5.363 1.00 14.31 H new ATOM 81 N ILE A 7 14.987 -4.544 -4.301 1.00 74.22 N ATOM 82 CA ILE A 7 15.441 -5.907 -4.063 1.00 25.55 C ATOM 83 C ILE A 7 14.376 -6.901 -4.514 1.00 72.53 C ATOM 84 O ILE A 7 14.677 -7.995 -5.000 1.00 63.32 O ATOM 85 CB ILE A 7 15.751 -6.132 -2.567 1.00 54.02 C ATOM 86 CG1 ILE A 7 16.701 -5.045 -2.054 1.00 32.12 C ATOM 87 CG2 ILE A 7 16.344 -7.516 -2.337 1.00 22.14 C ATOM 88 CD1 ILE A 7 18.064 -5.054 -2.716 1.00 61.11 C ATOM 0 H ILE A 7 14.567 -4.090 -3.490 1.00 74.22 H new ATOM 0 HA ILE A 7 16.354 -6.063 -4.638 1.00 25.55 H new ATOM 0 HB ILE A 7 14.817 -6.070 -2.009 1.00 54.02 H new ATOM 0 HG12 ILE A 7 16.239 -4.070 -2.210 1.00 32.12 H new ATOM 0 HG13 ILE A 7 16.830 -5.168 -0.979 1.00 32.12 H new ATOM 0 HG21 ILE A 7 16.554 -7.650 -1.276 1.00 22.14 H new ATOM 0 HG22 ILE A 7 15.634 -8.275 -2.666 1.00 22.14 H new ATOM 0 HG23 ILE A 7 17.269 -7.614 -2.905 1.00 22.14 H new ATOM 0 HD11 ILE A 7 18.677 -4.255 -2.298 1.00 61.11 H new ATOM 0 HD12 ILE A 7 18.549 -6.014 -2.538 1.00 61.11 H new ATOM 0 HD13 ILE A 7 17.948 -4.899 -3.789 1.00 61.11 H new ATOM 100 N ILE A 8 13.125 -6.499 -4.361 1.00 13.55 N ATOM 101 CA ILE A 8 11.995 -7.350 -4.700 1.00 4.54 C ATOM 102 C ILE A 8 11.492 -7.072 -6.113 1.00 1.43 C ATOM 103 O ILE A 8 11.163 -5.934 -6.465 1.00 12.12 O ATOM 104 CB ILE A 8 10.844 -7.161 -3.689 1.00 55.43 C ATOM 105 CG1 ILE A 8 11.311 -7.584 -2.297 1.00 4.43 C ATOM 106 CG2 ILE A 8 9.612 -7.958 -4.106 1.00 71.43 C ATOM 107 CD1 ILE A 8 10.293 -7.325 -1.209 1.00 22.01 C ATOM 0 H ILE A 8 12.865 -5.581 -4.001 1.00 13.55 H new ATOM 0 HA ILE A 8 12.342 -8.382 -4.656 1.00 4.54 H new ATOM 0 HB ILE A 8 10.565 -6.107 -3.669 1.00 55.43 H new ATOM 0 HG12 ILE A 8 11.551 -8.647 -2.312 1.00 4.43 H new ATOM 0 HG13 ILE A 8 12.231 -7.052 -2.055 1.00 4.43 H new ATOM 0 HG21 ILE A 8 8.817 -7.807 -3.376 1.00 71.43 H new ATOM 0 HG22 ILE A 8 9.275 -7.620 -5.086 1.00 71.43 H new ATOM 0 HG23 ILE A 8 9.863 -9.018 -4.154 1.00 71.43 H new ATOM 0 HD11 ILE A 8 10.695 -7.651 -0.250 1.00 22.01 H new ATOM 0 HD12 ILE A 8 10.070 -6.259 -1.166 1.00 22.01 H new ATOM 0 HD13 ILE A 8 9.379 -7.878 -1.426 1.00 22.01 H new ATOM 119 N LYS A 9 11.437 -8.124 -6.916 1.00 23.02 N ATOM 120 CA LYS A 9 10.936 -8.039 -8.275 1.00 21.44 C ATOM 121 C LYS A 9 9.535 -8.626 -8.360 1.00 25.42 C ATOM 122 O LYS A 9 8.897 -8.874 -7.336 1.00 14.03 O ATOM 123 CB LYS A 9 11.885 -8.764 -9.231 1.00 14.21 C ATOM 124 CG LYS A 9 13.179 -8.004 -9.480 1.00 22.35 C ATOM 125 CD LYS A 9 14.147 -8.774 -10.370 1.00 75.21 C ATOM 126 CE LYS A 9 14.966 -9.801 -9.588 1.00 55.12 C ATOM 127 NZ LYS A 9 14.163 -10.982 -9.158 1.00 2.25 N ATOM 0 H LYS A 9 11.739 -9.059 -6.642 1.00 23.02 H new ATOM 0 HA LYS A 9 10.885 -6.990 -8.567 1.00 21.44 H new ATOM 0 HB2 LYS A 9 12.121 -9.747 -8.823 1.00 14.21 H new ATOM 0 HB3 LYS A 9 11.378 -8.927 -10.182 1.00 14.21 H new ATOM 0 HG2 LYS A 9 12.949 -7.045 -9.944 1.00 22.35 H new ATOM 0 HG3 LYS A 9 13.660 -7.790 -8.526 1.00 22.35 H new ATOM 0 HD2 LYS A 9 13.588 -9.282 -11.156 1.00 75.21 H new ATOM 0 HD3 LYS A 9 14.822 -8.072 -10.861 1.00 75.21 H new ATOM 0 HE2 LYS A 9 15.798 -10.140 -10.205 1.00 55.12 H new ATOM 0 HE3 LYS A 9 15.396 -9.321 -8.709 1.00 55.12 H new ATOM 0 HZ1 LYS A 9 14.751 -11.838 -9.206 1.00 2.25 H new ATOM 0 HZ2 LYS A 9 13.835 -10.842 -8.181 1.00 2.25 H new ATOM 0 HZ3 LYS A 9 13.342 -11.091 -9.786 1.00 2.25 H new ATOM 141 N GLU A 10 9.059 -8.825 -9.580 1.00 63.02 N ATOM 142 CA GLU A 10 7.716 -9.329 -9.825 1.00 34.11 C ATOM 143 C GLU A 10 7.510 -10.737 -9.266 1.00 25.01 C ATOM 144 O GLU A 10 8.469 -11.457 -8.983 1.00 40.14 O ATOM 145 CB GLU A 10 7.467 -9.328 -11.328 1.00 65.21 C ATOM 146 CG GLU A 10 7.327 -7.937 -11.920 1.00 14.44 C ATOM 147 CD GLU A 10 6.018 -7.286 -11.534 1.00 44.45 C ATOM 148 OE1 GLU A 10 5.935 -6.714 -10.429 1.00 72.01 O ATOM 149 OE2 GLU A 10 5.057 -7.367 -12.330 1.00 52.03 O ATOM 0 H GLU A 10 9.594 -8.641 -10.429 1.00 63.02 H new ATOM 0 HA GLU A 10 7.008 -8.678 -9.312 1.00 34.11 H new ATOM 0 HB2 GLU A 10 8.289 -9.844 -11.824 1.00 65.21 H new ATOM 0 HB3 GLU A 10 6.561 -9.896 -11.538 1.00 65.21 H new ATOM 0 HG2 GLU A 10 8.155 -7.314 -11.582 1.00 14.44 H new ATOM 0 HG3 GLU A 10 7.396 -7.997 -13.006 1.00 14.44 H new ATOM 156 N GLY A 11 6.248 -11.132 -9.145 1.00 34.21 N ATOM 157 CA GLY A 11 5.911 -12.438 -8.624 1.00 20.52 C ATOM 158 C GLY A 11 4.456 -12.504 -8.213 1.00 51.41 C ATOM 159 O GLY A 11 3.714 -11.536 -8.390 1.00 54.45 O ATOM 0 H GLY A 11 5.444 -10.560 -9.403 1.00 34.21 H new ATOM 0 HA2 GLY A 11 6.113 -13.197 -9.380 1.00 20.52 H new ATOM 0 HA3 GLY A 11 6.545 -12.665 -7.767 1.00 20.52 H new ATOM 163 N ASP A 12 4.048 -13.630 -7.654 1.00 64.34 N ATOM 164 CA ASP A 12 2.663 -13.815 -7.234 1.00 1.04 C ATOM 165 C ASP A 12 2.527 -13.495 -5.753 1.00 33.41 C ATOM 166 O ASP A 12 1.493 -13.014 -5.288 1.00 31.50 O ATOM 167 CB ASP A 12 2.202 -15.249 -7.517 1.00 1.14 C ATOM 168 CG ASP A 12 0.721 -15.449 -7.264 1.00 3.23 C ATOM 169 OD1 ASP A 12 -0.097 -14.724 -7.870 1.00 4.33 O ATOM 170 OD2 ASP A 12 0.363 -16.348 -6.480 1.00 65.53 O ATOM 0 H ASP A 12 4.653 -14.432 -7.479 1.00 64.34 H new ATOM 0 HA ASP A 12 2.028 -13.136 -7.803 1.00 1.04 H new ATOM 0 HB2 ASP A 12 2.426 -15.500 -8.554 1.00 1.14 H new ATOM 0 HB3 ASP A 12 2.769 -15.939 -6.892 1.00 1.14 H new ATOM 175 N GLU A 13 3.605 -13.740 -5.028 1.00 72.25 N ATOM 176 CA GLU A 13 3.677 -13.452 -3.598 1.00 53.33 C ATOM 177 C GLU A 13 3.990 -11.976 -3.380 1.00 5.11 C ATOM 178 O GLU A 13 4.012 -11.487 -2.249 1.00 45.02 O ATOM 179 CB GLU A 13 4.766 -14.300 -2.911 1.00 11.53 C ATOM 180 CG GLU A 13 5.207 -15.536 -3.691 1.00 21.21 C ATOM 181 CD GLU A 13 6.111 -15.201 -4.866 1.00 14.43 C ATOM 182 OE1 GLU A 13 7.300 -14.915 -4.645 1.00 14.14 O ATOM 183 OE2 GLU A 13 5.620 -15.211 -6.016 1.00 55.20 O ATOM 0 H GLU A 13 4.459 -14.145 -5.411 1.00 72.25 H new ATOM 0 HA GLU A 13 2.710 -13.700 -3.160 1.00 53.33 H new ATOM 0 HB2 GLU A 13 5.638 -13.670 -2.733 1.00 11.53 H new ATOM 0 HB3 GLU A 13 4.397 -14.617 -1.935 1.00 11.53 H new ATOM 0 HG2 GLU A 13 5.730 -16.216 -3.019 1.00 21.21 H new ATOM 0 HG3 GLU A 13 4.325 -16.063 -4.056 1.00 21.21 H new ATOM 190 N VAL A 14 4.236 -11.275 -4.477 1.00 22.03 N ATOM 191 CA VAL A 14 4.621 -9.877 -4.423 1.00 14.30 C ATOM 192 C VAL A 14 3.419 -8.967 -4.656 1.00 63.34 C ATOM 193 O VAL A 14 2.569 -9.247 -5.505 1.00 24.35 O ATOM 194 CB VAL A 14 5.717 -9.559 -5.468 1.00 15.41 C ATOM 195 CG1 VAL A 14 6.180 -8.115 -5.350 1.00 72.23 C ATOM 196 CG2 VAL A 14 6.889 -10.515 -5.313 1.00 73.41 C ATOM 0 H VAL A 14 4.175 -11.657 -5.421 1.00 22.03 H new ATOM 0 HA VAL A 14 5.019 -9.691 -3.425 1.00 14.30 H new ATOM 0 HB VAL A 14 5.290 -9.693 -6.462 1.00 15.41 H new ATOM 0 HG11 VAL A 14 6.950 -7.918 -6.096 1.00 72.23 H new ATOM 0 HG12 VAL A 14 5.335 -7.447 -5.516 1.00 72.23 H new ATOM 0 HG13 VAL A 14 6.587 -7.944 -4.354 1.00 72.23 H new ATOM 0 HG21 VAL A 14 7.652 -10.279 -6.055 1.00 73.41 H new ATOM 0 HG22 VAL A 14 7.311 -10.414 -4.313 1.00 73.41 H new ATOM 0 HG23 VAL A 14 6.545 -11.539 -5.459 1.00 73.41 H new ATOM 206 N ALA A 15 3.343 -7.901 -3.871 1.00 41.34 N ATOM 207 CA ALA A 15 2.333 -6.869 -4.045 1.00 70.34 C ATOM 208 C ALA A 15 2.931 -5.506 -3.722 1.00 64.32 C ATOM 209 O ALA A 15 3.313 -5.244 -2.584 1.00 64.01 O ATOM 210 CB ALA A 15 1.128 -7.138 -3.155 1.00 51.34 C ATOM 0 H ALA A 15 3.982 -7.728 -3.095 1.00 41.34 H new ATOM 0 HA ALA A 15 1.999 -6.879 -5.082 1.00 70.34 H new ATOM 0 HB1 ALA A 15 0.385 -6.354 -3.301 1.00 51.34 H new ATOM 0 HB2 ALA A 15 0.693 -8.103 -3.414 1.00 51.34 H new ATOM 0 HB3 ALA A 15 1.442 -7.150 -2.111 1.00 51.34 H new ATOM 216 N ASP A 16 3.050 -4.654 -4.725 1.00 34.34 N ATOM 217 CA ASP A 16 3.589 -3.326 -4.516 1.00 71.43 C ATOM 218 C ASP A 16 2.492 -2.282 -4.575 1.00 41.32 C ATOM 219 O ASP A 16 1.550 -2.395 -5.356 1.00 43.50 O ATOM 220 CB ASP A 16 4.674 -3.002 -5.544 1.00 61.35 C ATOM 221 CG ASP A 16 4.191 -3.098 -6.977 1.00 72.12 C ATOM 222 OD1 ASP A 16 4.281 -4.197 -7.562 1.00 25.22 O ATOM 223 OD2 ASP A 16 3.748 -2.077 -7.533 1.00 60.42 O ATOM 0 H ASP A 16 2.781 -4.859 -5.687 1.00 34.34 H new ATOM 0 HA ASP A 16 4.038 -3.307 -3.523 1.00 71.43 H new ATOM 0 HB2 ASP A 16 5.049 -1.995 -5.361 1.00 61.35 H new ATOM 0 HB3 ASP A 16 5.512 -3.684 -5.404 1.00 61.35 H new ATOM 228 N VAL A 17 2.613 -1.280 -3.724 1.00 63.52 N ATOM 229 CA VAL A 17 1.668 -0.179 -3.701 1.00 24.42 C ATOM 230 C VAL A 17 2.409 1.134 -3.863 1.00 3.53 C ATOM 231 O VAL A 17 3.421 1.380 -3.206 1.00 21.32 O ATOM 232 CB VAL A 17 0.852 -0.132 -2.392 1.00 63.41 C ATOM 233 CG1 VAL A 17 -0.293 0.866 -2.502 1.00 12.14 C ATOM 234 CG2 VAL A 17 0.328 -1.513 -2.013 1.00 61.33 C ATOM 0 H VAL A 17 3.362 -1.206 -3.035 1.00 63.52 H new ATOM 0 HA VAL A 17 0.973 -0.336 -4.526 1.00 24.42 H new ATOM 0 HB VAL A 17 1.521 0.200 -1.598 1.00 63.41 H new ATOM 0 HG11 VAL A 17 -0.853 0.881 -1.567 1.00 12.14 H new ATOM 0 HG12 VAL A 17 0.108 1.860 -2.701 1.00 12.14 H new ATOM 0 HG13 VAL A 17 -0.955 0.572 -3.317 1.00 12.14 H new ATOM 0 HG21 VAL A 17 -0.242 -1.444 -1.087 1.00 61.33 H new ATOM 0 HG22 VAL A 17 -0.316 -1.889 -2.808 1.00 61.33 H new ATOM 0 HG23 VAL A 17 1.167 -2.195 -1.873 1.00 61.33 H new ATOM 244 N THR A 18 1.900 1.959 -4.745 1.00 20.34 N ATOM 245 CA THR A 18 2.497 3.244 -5.026 1.00 55.53 C ATOM 246 C THR A 18 1.673 4.353 -4.387 1.00 71.25 C ATOM 247 O THR A 18 0.542 4.612 -4.796 1.00 63.53 O ATOM 248 CB THR A 18 2.592 3.465 -6.542 1.00 41.23 C ATOM 249 OG1 THR A 18 3.202 2.318 -7.151 1.00 31.44 O ATOM 250 CG2 THR A 18 3.392 4.719 -6.872 1.00 23.51 C ATOM 0 H THR A 18 1.060 1.760 -5.289 1.00 20.34 H new ATOM 0 HA THR A 18 3.502 3.263 -4.606 1.00 55.53 H new ATOM 0 HB THR A 18 1.585 3.602 -6.935 1.00 41.23 H new ATOM 0 HG1 THR A 18 3.263 2.455 -8.119 1.00 31.44 H new ATOM 0 HG21 THR A 18 3.440 4.846 -7.954 1.00 23.51 H new ATOM 0 HG22 THR A 18 2.908 5.588 -6.426 1.00 23.51 H new ATOM 0 HG23 THR A 18 4.402 4.622 -6.473 1.00 23.51 H new ATOM 258 N ILE A 19 2.231 4.983 -3.370 1.00 2.11 N ATOM 259 CA ILE A 19 1.524 6.021 -2.640 1.00 55.54 C ATOM 260 C ILE A 19 1.973 7.391 -3.113 1.00 54.42 C ATOM 261 O ILE A 19 3.162 7.629 -3.314 1.00 12.13 O ATOM 262 CB ILE A 19 1.770 5.921 -1.123 1.00 0.41 C ATOM 263 CG1 ILE A 19 1.699 4.463 -0.657 1.00 2.24 C ATOM 264 CG2 ILE A 19 0.758 6.771 -0.365 1.00 12.10 C ATOM 265 CD1 ILE A 19 2.086 4.271 0.795 1.00 5.22 C ATOM 0 H ILE A 19 3.174 4.794 -3.029 1.00 2.11 H new ATOM 0 HA ILE A 19 0.460 5.882 -2.833 1.00 55.54 H new ATOM 0 HB ILE A 19 2.770 6.299 -0.912 1.00 0.41 H new ATOM 0 HG12 ILE A 19 0.685 4.092 -0.806 1.00 2.24 H new ATOM 0 HG13 ILE A 19 2.355 3.858 -1.282 1.00 2.24 H new ATOM 0 HG21 ILE A 19 0.944 6.690 0.706 1.00 12.10 H new ATOM 0 HG22 ILE A 19 0.854 7.812 -0.673 1.00 12.10 H new ATOM 0 HG23 ILE A 19 -0.250 6.419 -0.585 1.00 12.10 H new ATOM 0 HD11 ILE A 19 2.012 3.215 1.055 1.00 5.22 H new ATOM 0 HD12 ILE A 19 3.110 4.611 0.947 1.00 5.22 H new ATOM 0 HD13 ILE A 19 1.414 4.848 1.430 1.00 5.22 H new ATOM 277 N PHE A 20 1.016 8.279 -3.294 1.00 41.41 N ATOM 278 CA PHE A 20 1.290 9.637 -3.716 1.00 15.13 C ATOM 279 C PHE A 20 0.215 10.576 -3.185 1.00 75.14 C ATOM 280 O PHE A 20 -0.959 10.212 -3.121 1.00 13.12 O ATOM 281 CB PHE A 20 1.385 9.728 -5.242 1.00 64.44 C ATOM 282 CG PHE A 20 0.329 8.957 -5.986 1.00 43.30 C ATOM 283 CD1 PHE A 20 -0.893 9.534 -6.282 1.00 64.35 C ATOM 284 CD2 PHE A 20 0.569 7.657 -6.399 1.00 5.24 C ATOM 285 CE1 PHE A 20 -1.857 8.828 -6.973 1.00 22.15 C ATOM 286 CE2 PHE A 20 -0.390 6.947 -7.092 1.00 32.53 C ATOM 287 CZ PHE A 20 -1.606 7.533 -7.379 1.00 64.21 C ATOM 0 H PHE A 20 0.026 8.079 -3.152 1.00 41.41 H new ATOM 0 HA PHE A 20 2.253 9.939 -3.304 1.00 15.13 H new ATOM 0 HB2 PHE A 20 1.323 10.776 -5.534 1.00 64.44 H new ATOM 0 HB3 PHE A 20 2.365 9.368 -5.553 1.00 64.44 H new ATOM 0 HD1 PHE A 20 -1.095 10.548 -5.969 1.00 64.35 H new ATOM 0 HD2 PHE A 20 1.518 7.193 -6.176 1.00 5.24 H new ATOM 0 HE1 PHE A 20 -2.808 9.289 -7.196 1.00 22.15 H new ATOM 0 HE2 PHE A 20 -0.189 5.934 -7.409 1.00 32.53 H new ATOM 0 HZ PHE A 20 -2.359 6.980 -7.920 1.00 64.21 H new ATOM 297 N ALA A 21 0.627 11.772 -2.790 1.00 50.23 N ATOM 298 CA ALA A 21 -0.284 12.753 -2.211 1.00 53.33 C ATOM 299 C ALA A 21 0.313 14.147 -2.310 1.00 3.14 C ATOM 300 O ALA A 21 1.285 14.360 -3.037 1.00 51.14 O ATOM 301 CB ALA A 21 -0.592 12.408 -0.758 1.00 3.22 C ATOM 0 H ALA A 21 1.594 12.090 -2.860 1.00 50.23 H new ATOM 0 HA ALA A 21 -1.218 12.732 -2.773 1.00 53.33 H new ATOM 0 HB1 ALA A 21 -1.273 13.152 -0.344 1.00 3.22 H new ATOM 0 HB2 ALA A 21 -1.056 11.423 -0.708 1.00 3.22 H new ATOM 0 HB3 ALA A 21 0.333 12.402 -0.181 1.00 3.22 H new ATOM 307 N GLU A 22 -0.266 15.088 -1.582 1.00 32.24 N ATOM 308 CA GLU A 22 0.173 16.473 -1.634 1.00 51.51 C ATOM 309 C GLU A 22 1.374 16.699 -0.725 1.00 44.12 C ATOM 310 O GLU A 22 2.222 17.551 -1.002 1.00 74.24 O ATOM 311 CB GLU A 22 -0.970 17.404 -1.229 1.00 5.12 C ATOM 312 CG GLU A 22 -2.232 17.208 -2.056 1.00 63.34 C ATOM 313 CD GLU A 22 -2.004 17.433 -3.540 1.00 61.33 C ATOM 314 OE1 GLU A 22 -2.153 18.582 -4.004 1.00 71.33 O ATOM 315 OE2 GLU A 22 -1.692 16.459 -4.251 1.00 23.25 O ATOM 0 H GLU A 22 -1.044 14.917 -0.945 1.00 32.24 H new ATOM 0 HA GLU A 22 0.471 16.696 -2.658 1.00 51.51 H new ATOM 0 HB2 GLU A 22 -1.205 17.242 -0.177 1.00 5.12 H new ATOM 0 HB3 GLU A 22 -0.638 18.438 -1.326 1.00 5.12 H new ATOM 0 HG2 GLU A 22 -2.610 16.197 -1.900 1.00 63.34 H new ATOM 0 HG3 GLU A 22 -3.002 17.894 -1.703 1.00 63.34 H new ATOM 322 N THR A 23 1.446 15.937 0.359 1.00 12.15 N ATOM 323 CA THR A 23 2.536 16.070 1.311 1.00 23.11 C ATOM 324 C THR A 23 3.075 14.707 1.720 1.00 63.30 C ATOM 325 O THR A 23 2.360 13.705 1.669 1.00 34.33 O ATOM 326 CB THR A 23 2.096 16.840 2.576 1.00 11.41 C ATOM 327 OG1 THR A 23 0.913 16.248 3.132 1.00 4.52 O ATOM 328 CG2 THR A 23 1.832 18.304 2.265 1.00 31.11 C ATOM 0 H THR A 23 0.761 15.221 0.599 1.00 12.15 H new ATOM 0 HA THR A 23 3.323 16.635 0.811 1.00 23.11 H new ATOM 0 HB THR A 23 2.908 16.780 3.300 1.00 11.41 H new ATOM 0 HG1 THR A 23 0.645 16.744 3.934 1.00 4.52 H new ATOM 0 HG21 THR A 23 1.524 18.819 3.175 1.00 31.11 H new ATOM 0 HG22 THR A 23 2.741 18.763 1.878 1.00 31.11 H new ATOM 0 HG23 THR A 23 1.041 18.381 1.519 1.00 31.11 H new ATOM 336 N LYS A 24 4.337 14.684 2.132 1.00 12.03 N ATOM 337 CA LYS A 24 4.997 13.458 2.571 1.00 53.31 C ATOM 338 C LYS A 24 4.261 12.839 3.751 1.00 14.31 C ATOM 339 O LYS A 24 4.203 11.622 3.889 1.00 51.41 O ATOM 340 CB LYS A 24 6.426 13.785 2.990 1.00 70.00 C ATOM 341 CG LYS A 24 7.316 12.575 3.208 1.00 42.34 C ATOM 342 CD LYS A 24 8.580 12.930 3.991 1.00 33.12 C ATOM 343 CE LYS A 24 9.355 14.089 3.369 1.00 70.12 C ATOM 344 NZ LYS A 24 8.799 15.421 3.742 1.00 20.51 N ATOM 0 H LYS A 24 4.931 15.512 2.172 1.00 12.03 H new ATOM 0 HA LYS A 24 4.995 12.745 1.746 1.00 53.31 H new ATOM 0 HB2 LYS A 24 6.878 14.419 2.227 1.00 70.00 H new ATOM 0 HB3 LYS A 24 6.396 14.367 3.911 1.00 70.00 H new ATOM 0 HG2 LYS A 24 6.760 11.807 3.746 1.00 42.34 H new ATOM 0 HG3 LYS A 24 7.594 12.150 2.243 1.00 42.34 H new ATOM 0 HD2 LYS A 24 8.307 13.189 5.014 1.00 33.12 H new ATOM 0 HD3 LYS A 24 9.226 12.054 4.045 1.00 33.12 H new ATOM 0 HE2 LYS A 24 10.397 14.034 3.684 1.00 70.12 H new ATOM 0 HE3 LYS A 24 9.344 13.987 2.284 1.00 70.12 H new ATOM 0 HZ1 LYS A 24 9.576 16.061 4.004 1.00 20.51 H new ATOM 0 HZ2 LYS A 24 8.280 15.819 2.934 1.00 20.51 H new ATOM 0 HZ3 LYS A 24 8.152 15.314 4.549 1.00 20.51 H new ATOM 358 N ASP A 25 3.703 13.698 4.594 1.00 32.14 N ATOM 359 CA ASP A 25 3.002 13.264 5.801 1.00 63.12 C ATOM 360 C ASP A 25 1.893 12.271 5.472 1.00 63.33 C ATOM 361 O ASP A 25 1.731 11.260 6.158 1.00 24.22 O ATOM 362 CB ASP A 25 2.414 14.472 6.528 1.00 74.34 C ATOM 363 CG ASP A 25 1.832 14.116 7.881 1.00 74.45 C ATOM 364 OD1 ASP A 25 2.585 14.129 8.878 1.00 53.05 O ATOM 365 OD2 ASP A 25 0.620 13.833 7.963 1.00 70.33 O ATOM 0 H ASP A 25 3.722 14.710 4.464 1.00 32.14 H new ATOM 0 HA ASP A 25 3.725 12.766 6.447 1.00 63.12 H new ATOM 0 HB2 ASP A 25 3.191 15.225 6.658 1.00 74.34 H new ATOM 0 HB3 ASP A 25 1.636 14.920 5.909 1.00 74.34 H new ATOM 370 N ALA A 26 1.139 12.550 4.415 1.00 42.23 N ATOM 371 CA ALA A 26 0.080 11.648 3.986 1.00 43.45 C ATOM 372 C ALA A 26 0.673 10.333 3.503 1.00 30.11 C ATOM 373 O ALA A 26 0.155 9.259 3.804 1.00 11.23 O ATOM 374 CB ALA A 26 -0.766 12.290 2.898 1.00 44.44 C ATOM 0 H ALA A 26 1.241 13.388 3.843 1.00 42.23 H new ATOM 0 HA ALA A 26 -0.568 11.443 4.839 1.00 43.45 H new ATOM 0 HB1 ALA A 26 -1.551 11.599 2.592 1.00 44.44 H new ATOM 0 HB2 ALA A 26 -1.217 13.205 3.281 1.00 44.44 H new ATOM 0 HB3 ALA A 26 -0.137 12.527 2.040 1.00 44.44 H new ATOM 380 N LEU A 27 1.776 10.431 2.769 1.00 51.43 N ATOM 381 CA LEU A 27 2.510 9.261 2.308 1.00 44.21 C ATOM 382 C LEU A 27 2.954 8.409 3.491 1.00 35.11 C ATOM 383 O LEU A 27 2.744 7.199 3.508 1.00 65.22 O ATOM 384 CB LEU A 27 3.736 9.691 1.492 1.00 40.22 C ATOM 385 CG LEU A 27 3.491 9.991 0.010 1.00 74.34 C ATOM 386 CD1 LEU A 27 2.518 11.138 -0.161 1.00 31.45 C ATOM 387 CD2 LEU A 27 4.801 10.314 -0.688 1.00 62.43 C ATOM 0 H LEU A 27 2.184 11.320 2.479 1.00 51.43 H new ATOM 0 HA LEU A 27 1.849 8.669 1.675 1.00 44.21 H new ATOM 0 HB2 LEU A 27 4.161 10.581 1.956 1.00 40.22 H new ATOM 0 HB3 LEU A 27 4.488 8.905 1.563 1.00 40.22 H new ATOM 0 HG LEU A 27 3.055 9.101 -0.444 1.00 74.34 H new ATOM 0 HD11 LEU A 27 2.363 11.329 -1.223 1.00 31.45 H new ATOM 0 HD12 LEU A 27 1.566 10.880 0.304 1.00 31.45 H new ATOM 0 HD13 LEU A 27 2.923 12.032 0.313 1.00 31.45 H new ATOM 0 HD21 LEU A 27 4.610 10.525 -1.740 1.00 62.43 H new ATOM 0 HD22 LEU A 27 5.257 11.186 -0.220 1.00 62.43 H new ATOM 0 HD23 LEU A 27 5.477 9.463 -0.605 1.00 62.43 H new ATOM 399 N GLU A 28 3.559 9.058 4.479 1.00 14.44 N ATOM 400 CA GLU A 28 4.031 8.387 5.677 1.00 12.53 C ATOM 401 C GLU A 28 2.881 7.712 6.420 1.00 31.53 C ATOM 402 O GLU A 28 3.015 6.581 6.890 1.00 23.50 O ATOM 403 CB GLU A 28 4.723 9.394 6.590 1.00 54.11 C ATOM 404 CG GLU A 28 5.954 10.034 5.973 1.00 2.12 C ATOM 405 CD GLU A 28 6.634 11.002 6.915 1.00 43.03 C ATOM 406 OE1 GLU A 28 6.171 12.158 7.034 1.00 22.44 O ATOM 407 OE2 GLU A 28 7.632 10.609 7.555 1.00 11.20 O ATOM 0 H GLU A 28 3.734 10.063 4.469 1.00 14.44 H new ATOM 0 HA GLU A 28 4.741 7.614 5.381 1.00 12.53 H new ATOM 0 HB2 GLU A 28 4.013 10.177 6.857 1.00 54.11 H new ATOM 0 HB3 GLU A 28 5.010 8.895 7.516 1.00 54.11 H new ATOM 0 HG2 GLU A 28 6.660 9.255 5.685 1.00 2.12 H new ATOM 0 HG3 GLU A 28 5.669 10.558 5.061 1.00 2.12 H new ATOM 414 N SER A 29 1.754 8.411 6.511 1.00 23.31 N ATOM 415 CA SER A 29 0.580 7.890 7.194 1.00 23.35 C ATOM 416 C SER A 29 0.063 6.631 6.507 1.00 33.11 C ATOM 417 O SER A 29 -0.115 5.592 7.144 1.00 24.11 O ATOM 418 CB SER A 29 -0.514 8.958 7.230 1.00 22.13 C ATOM 419 OG SER A 29 -0.055 10.141 7.864 1.00 54.23 O ATOM 0 H SER A 29 1.631 9.344 6.117 1.00 23.31 H new ATOM 0 HA SER A 29 0.861 7.628 8.214 1.00 23.35 H new ATOM 0 HB2 SER A 29 -0.835 9.188 6.214 1.00 22.13 H new ATOM 0 HB3 SER A 29 -1.385 8.573 7.760 1.00 22.13 H new ATOM 0 HG SER A 29 0.645 10.554 7.317 1.00 54.23 H new ATOM 425 N GLU A 30 -0.154 6.724 5.203 1.00 64.41 N ATOM 426 CA GLU A 30 -0.652 5.618 4.426 1.00 42.03 C ATOM 427 C GLU A 30 0.341 4.460 4.422 1.00 11.20 C ATOM 428 O GLU A 30 -0.049 3.297 4.537 1.00 64.33 O ATOM 429 CB GLU A 30 -0.922 6.102 3.012 1.00 23.52 C ATOM 430 CG GLU A 30 -2.073 7.093 2.919 1.00 44.33 C ATOM 431 CD GLU A 30 -3.363 6.557 3.513 1.00 21.11 C ATOM 432 OE1 GLU A 30 -3.563 6.700 4.740 1.00 1.33 O ATOM 433 OE2 GLU A 30 -4.186 6.001 2.762 1.00 54.15 O ATOM 0 H GLU A 30 0.013 7.572 4.662 1.00 64.41 H new ATOM 0 HA GLU A 30 -1.576 5.249 4.871 1.00 42.03 H new ATOM 0 HB2 GLU A 30 -0.019 6.568 2.617 1.00 23.52 H new ATOM 0 HB3 GLU A 30 -1.141 5.243 2.378 1.00 23.52 H new ATOM 0 HG2 GLU A 30 -1.796 8.013 3.434 1.00 44.33 H new ATOM 0 HG3 GLU A 30 -2.240 7.351 1.873 1.00 44.33 H new ATOM 440 N LEU A 31 1.623 4.791 4.304 1.00 52.10 N ATOM 441 CA LEU A 31 2.690 3.795 4.325 1.00 42.03 C ATOM 442 C LEU A 31 2.641 2.998 5.615 1.00 53.24 C ATOM 443 O LEU A 31 2.632 1.766 5.597 1.00 53.23 O ATOM 444 CB LEU A 31 4.053 4.475 4.204 1.00 22.12 C ATOM 445 CG LEU A 31 5.237 3.528 4.006 1.00 12.04 C ATOM 446 CD1 LEU A 31 5.131 2.802 2.674 1.00 30.40 C ATOM 447 CD2 LEU A 31 6.551 4.288 4.101 1.00 71.21 C ATOM 0 H LEU A 31 1.951 5.750 4.192 1.00 52.10 H new ATOM 0 HA LEU A 31 2.546 3.122 3.479 1.00 42.03 H new ATOM 0 HB2 LEU A 31 4.021 5.171 3.366 1.00 22.12 H new ATOM 0 HB3 LEU A 31 4.227 5.066 5.103 1.00 22.12 H new ATOM 0 HG LEU A 31 5.214 2.782 4.801 1.00 12.04 H new ATOM 0 HD11 LEU A 31 5.984 2.134 2.555 1.00 30.40 H new ATOM 0 HD12 LEU A 31 4.209 2.221 2.648 1.00 30.40 H new ATOM 0 HD13 LEU A 31 5.124 3.530 1.863 1.00 30.40 H new ATOM 0 HD21 LEU A 31 7.382 3.597 3.958 1.00 71.21 H new ATOM 0 HD22 LEU A 31 6.582 5.058 3.331 1.00 71.21 H new ATOM 0 HD23 LEU A 31 6.632 4.754 5.083 1.00 71.21 H new ATOM 459 N ALA A 32 2.599 3.717 6.729 1.00 51.21 N ATOM 460 CA ALA A 32 2.535 3.100 8.049 1.00 0.34 C ATOM 461 C ALA A 32 1.372 2.118 8.142 1.00 14.13 C ATOM 462 O ALA A 32 1.519 1.017 8.675 1.00 74.14 O ATOM 463 CB ALA A 32 2.415 4.166 9.128 1.00 42.02 C ATOM 0 H ALA A 32 2.608 4.737 6.745 1.00 51.21 H new ATOM 0 HA ALA A 32 3.459 2.544 8.205 1.00 0.34 H new ATOM 0 HB1 ALA A 32 2.368 3.689 10.107 1.00 42.02 H new ATOM 0 HB2 ALA A 32 3.282 4.825 9.086 1.00 42.02 H new ATOM 0 HB3 ALA A 32 1.508 4.749 8.965 1.00 42.02 H new ATOM 469 N LYS A 33 0.224 2.512 7.600 1.00 1.53 N ATOM 470 CA LYS A 33 -0.964 1.677 7.627 1.00 43.25 C ATOM 471 C LYS A 33 -0.751 0.392 6.834 1.00 35.43 C ATOM 472 O LYS A 33 -1.167 -0.685 7.263 1.00 53.14 O ATOM 473 CB LYS A 33 -2.155 2.451 7.066 1.00 14.22 C ATOM 474 CG LYS A 33 -2.562 3.647 7.913 1.00 11.04 C ATOM 475 CD LYS A 33 -2.993 3.226 9.312 1.00 72.01 C ATOM 476 CE LYS A 33 -3.390 4.425 10.157 1.00 31.43 C ATOM 477 NZ LYS A 33 -3.845 4.023 11.515 1.00 65.53 N ATOM 0 H LYS A 33 0.095 3.411 7.135 1.00 1.53 H new ATOM 0 HA LYS A 33 -1.167 1.404 8.662 1.00 43.25 H new ATOM 0 HB2 LYS A 33 -1.912 2.795 6.061 1.00 14.22 H new ATOM 0 HB3 LYS A 33 -3.006 1.775 6.975 1.00 14.22 H new ATOM 0 HG2 LYS A 33 -1.727 4.344 7.984 1.00 11.04 H new ATOM 0 HG3 LYS A 33 -3.379 4.178 7.425 1.00 11.04 H new ATOM 0 HD2 LYS A 33 -3.833 2.535 9.242 1.00 72.01 H new ATOM 0 HD3 LYS A 33 -2.178 2.690 9.799 1.00 72.01 H new ATOM 0 HE2 LYS A 33 -2.541 5.104 10.245 1.00 31.43 H new ATOM 0 HE3 LYS A 33 -4.187 4.974 9.655 1.00 31.43 H new ATOM 0 HZ1 LYS A 33 -4.106 4.870 12.059 1.00 65.53 H new ATOM 0 HZ2 LYS A 33 -4.671 3.396 11.433 1.00 65.53 H new ATOM 0 HZ3 LYS A 33 -3.077 3.521 12.004 1.00 65.53 H new ATOM 491 N TYR A 34 -0.097 0.509 5.685 1.00 54.43 N ATOM 492 CA TYR A 34 0.172 -0.649 4.838 1.00 51.34 C ATOM 493 C TYR A 34 1.204 -1.569 5.479 1.00 70.15 C ATOM 494 O TYR A 34 1.075 -2.790 5.427 1.00 31.45 O ATOM 495 CB TYR A 34 0.652 -0.215 3.451 1.00 52.53 C ATOM 496 CG TYR A 34 -0.396 0.518 2.645 1.00 42.24 C ATOM 497 CD1 TYR A 34 -1.706 0.061 2.597 1.00 32.21 C ATOM 498 CD2 TYR A 34 -0.075 1.662 1.929 1.00 62.41 C ATOM 499 CE1 TYR A 34 -2.667 0.726 1.862 1.00 54.41 C ATOM 500 CE2 TYR A 34 -1.029 2.332 1.191 1.00 72.14 C ATOM 501 CZ TYR A 34 -2.324 1.861 1.160 1.00 13.22 C ATOM 502 OH TYR A 34 -3.277 2.530 0.430 1.00 52.04 O ATOM 0 H TYR A 34 0.257 1.392 5.318 1.00 54.43 H new ATOM 0 HA TYR A 34 -0.763 -1.198 4.728 1.00 51.34 H new ATOM 0 HB2 TYR A 34 1.525 0.427 3.563 1.00 52.53 H new ATOM 0 HB3 TYR A 34 0.974 -1.096 2.896 1.00 52.53 H new ATOM 0 HD1 TYR A 34 -1.978 -0.830 3.144 1.00 32.21 H new ATOM 0 HD2 TYR A 34 0.939 2.034 1.950 1.00 62.41 H new ATOM 0 HE1 TYR A 34 -3.682 0.359 1.837 1.00 54.41 H new ATOM 0 HE2 TYR A 34 -0.762 3.222 0.640 1.00 72.14 H new ATOM 0 HH TYR A 34 -2.870 3.309 -0.003 1.00 52.04 H new ATOM 512 N ILE A 35 2.228 -0.976 6.087 1.00 70.44 N ATOM 513 CA ILE A 35 3.265 -1.746 6.768 1.00 11.03 C ATOM 514 C ILE A 35 2.676 -2.494 7.962 1.00 40.34 C ATOM 515 O ILE A 35 2.970 -3.672 8.176 1.00 54.33 O ATOM 516 CB ILE A 35 4.433 -0.843 7.236 1.00 71.55 C ATOM 517 CG1 ILE A 35 5.087 -0.160 6.031 1.00 21.44 C ATOM 518 CG2 ILE A 35 5.465 -1.654 8.015 1.00 73.24 C ATOM 519 CD1 ILE A 35 6.227 0.764 6.401 1.00 64.53 C ATOM 0 H ILE A 35 2.362 0.035 6.122 1.00 70.44 H new ATOM 0 HA ILE A 35 3.661 -2.466 6.052 1.00 11.03 H new ATOM 0 HB ILE A 35 4.033 -0.076 7.899 1.00 71.55 H new ATOM 0 HG12 ILE A 35 5.457 -0.924 5.348 1.00 21.44 H new ATOM 0 HG13 ILE A 35 4.330 0.409 5.492 1.00 21.44 H new ATOM 0 HG21 ILE A 35 6.276 -1.000 8.334 1.00 73.24 H new ATOM 0 HG22 ILE A 35 4.992 -2.099 8.890 1.00 73.24 H new ATOM 0 HG23 ILE A 35 5.864 -2.443 7.378 1.00 73.24 H new ATOM 0 HD11 ILE A 35 6.641 1.211 5.497 1.00 64.53 H new ATOM 0 HD12 ILE A 35 5.859 1.551 7.059 1.00 64.53 H new ATOM 0 HD13 ILE A 35 7.004 0.196 6.913 1.00 64.53 H new ATOM 531 N GLU A 36 1.834 -1.807 8.724 1.00 41.13 N ATOM 532 CA GLU A 36 1.138 -2.402 9.846 1.00 11.02 C ATOM 533 C GLU A 36 0.245 -3.544 9.370 1.00 63.54 C ATOM 534 O GLU A 36 0.256 -4.638 9.936 1.00 40.32 O ATOM 535 CB GLU A 36 0.321 -1.307 10.532 1.00 73.22 C ATOM 536 CG GLU A 36 -0.106 -1.617 11.950 1.00 24.33 C ATOM 537 CD GLU A 36 -1.316 -2.524 12.026 1.00 3.44 C ATOM 538 OE1 GLU A 36 -2.366 -2.165 11.454 1.00 71.15 O ATOM 539 OE2 GLU A 36 -1.231 -3.586 12.677 1.00 10.43 O ATOM 0 H GLU A 36 1.618 -0.821 8.577 1.00 41.13 H new ATOM 0 HA GLU A 36 1.849 -2.824 10.556 1.00 11.02 H new ATOM 0 HB2 GLU A 36 0.907 -0.388 10.538 1.00 73.22 H new ATOM 0 HB3 GLU A 36 -0.570 -1.112 9.935 1.00 73.22 H new ATOM 0 HG2 GLU A 36 0.724 -2.086 12.478 1.00 24.33 H new ATOM 0 HG3 GLU A 36 -0.327 -0.684 12.468 1.00 24.33 H new ATOM 546 N LEU A 37 -0.505 -3.281 8.310 1.00 52.20 N ATOM 547 CA LEU A 37 -1.386 -4.274 7.717 1.00 73.13 C ATOM 548 C LEU A 37 -0.575 -5.483 7.251 1.00 55.32 C ATOM 549 O LEU A 37 -1.020 -6.626 7.362 1.00 21.51 O ATOM 550 CB LEU A 37 -2.139 -3.645 6.540 1.00 32.22 C ATOM 551 CG LEU A 37 -3.584 -4.115 6.345 1.00 71.12 C ATOM 552 CD1 LEU A 37 -4.280 -3.255 5.303 1.00 12.41 C ATOM 553 CD2 LEU A 37 -3.636 -5.579 5.935 1.00 50.10 C ATOM 0 H LEU A 37 -0.520 -2.376 7.839 1.00 52.20 H new ATOM 0 HA LEU A 37 -2.107 -4.612 8.461 1.00 73.13 H new ATOM 0 HB2 LEU A 37 -2.144 -2.563 6.673 1.00 32.22 H new ATOM 0 HB3 LEU A 37 -1.583 -3.852 5.625 1.00 32.22 H new ATOM 0 HG LEU A 37 -4.103 -4.012 7.298 1.00 71.12 H new ATOM 0 HD11 LEU A 37 -5.306 -3.599 5.174 1.00 12.41 H new ATOM 0 HD12 LEU A 37 -4.285 -2.216 5.633 1.00 12.41 H new ATOM 0 HD13 LEU A 37 -3.749 -3.332 4.354 1.00 12.41 H new ATOM 0 HD21 LEU A 37 -4.674 -5.884 5.804 1.00 50.10 H new ATOM 0 HD22 LEU A 37 -3.097 -5.713 4.997 1.00 50.10 H new ATOM 0 HD23 LEU A 37 -3.173 -6.190 6.710 1.00 50.10 H new ATOM 565 N ALA A 38 0.632 -5.221 6.763 1.00 14.24 N ATOM 566 CA ALA A 38 1.495 -6.275 6.257 1.00 24.55 C ATOM 567 C ALA A 38 1.925 -7.205 7.382 1.00 10.50 C ATOM 568 O ALA A 38 1.906 -8.425 7.228 1.00 32.20 O ATOM 569 CB ALA A 38 2.710 -5.684 5.559 1.00 64.22 C ATOM 0 H ALA A 38 1.033 -4.285 6.708 1.00 14.24 H new ATOM 0 HA ALA A 38 0.930 -6.857 5.529 1.00 24.55 H new ATOM 0 HB1 ALA A 38 3.344 -6.489 5.187 1.00 64.22 H new ATOM 0 HB2 ALA A 38 2.384 -5.064 4.724 1.00 64.22 H new ATOM 0 HB3 ALA A 38 3.274 -5.075 6.265 1.00 64.22 H new ATOM 575 N LYS A 39 2.289 -6.625 8.522 1.00 31.43 N ATOM 576 CA LYS A 39 2.705 -7.406 9.679 1.00 4.44 C ATOM 577 C LYS A 39 1.519 -8.157 10.270 1.00 44.10 C ATOM 578 O LYS A 39 1.680 -9.198 10.915 1.00 35.15 O ATOM 579 CB LYS A 39 3.310 -6.501 10.751 1.00 30.13 C ATOM 580 CG LYS A 39 4.479 -5.659 10.275 1.00 60.13 C ATOM 581 CD LYS A 39 5.134 -4.943 11.441 1.00 50.02 C ATOM 582 CE LYS A 39 6.113 -3.883 10.976 1.00 30.35 C ATOM 583 NZ LYS A 39 6.820 -3.254 12.120 1.00 71.22 N ATOM 0 H LYS A 39 2.304 -5.616 8.668 1.00 31.43 H new ATOM 0 HA LYS A 39 3.457 -8.121 9.347 1.00 4.44 H new ATOM 0 HB2 LYS A 39 2.532 -5.839 11.131 1.00 30.13 H new ATOM 0 HB3 LYS A 39 3.639 -7.118 11.587 1.00 30.13 H new ATOM 0 HG2 LYS A 39 5.210 -6.293 9.774 1.00 60.13 H new ATOM 0 HG3 LYS A 39 4.134 -4.930 9.542 1.00 60.13 H new ATOM 0 HD2 LYS A 39 4.366 -4.481 12.061 1.00 50.02 H new ATOM 0 HD3 LYS A 39 5.654 -5.668 12.066 1.00 50.02 H new ATOM 0 HE2 LYS A 39 6.841 -4.331 10.299 1.00 30.35 H new ATOM 0 HE3 LYS A 39 5.581 -3.118 10.411 1.00 30.35 H new ATOM 0 HZ1 LYS A 39 7.482 -2.534 11.766 1.00 71.22 H new ATOM 0 HZ2 LYS A 39 6.127 -2.806 12.753 1.00 71.22 H new ATOM 0 HZ3 LYS A 39 7.348 -3.981 12.644 1.00 71.22 H new ATOM 597 N SER A 40 0.332 -7.612 10.063 1.00 20.45 N ATOM 598 CA SER A 40 -0.887 -8.233 10.541 1.00 52.23 C ATOM 599 C SER A 40 -1.166 -9.518 9.762 1.00 73.23 C ATOM 600 O SER A 40 -1.636 -10.508 10.322 1.00 22.41 O ATOM 601 CB SER A 40 -2.063 -7.256 10.410 1.00 0.43 C ATOM 602 OG SER A 40 -3.231 -7.760 11.038 1.00 44.45 O ATOM 0 H SER A 40 0.189 -6.734 9.563 1.00 20.45 H new ATOM 0 HA SER A 40 -0.764 -8.488 11.594 1.00 52.23 H new ATOM 0 HB2 SER A 40 -1.793 -6.299 10.856 1.00 0.43 H new ATOM 0 HB3 SER A 40 -2.267 -7.070 9.356 1.00 0.43 H new ATOM 0 HG SER A 40 -3.961 -7.114 10.938 1.00 44.45 H new ATOM 608 N VAL A 41 -0.848 -9.501 8.472 1.00 45.01 N ATOM 609 CA VAL A 41 -1.096 -10.647 7.609 1.00 61.10 C ATOM 610 C VAL A 41 0.087 -11.617 7.616 1.00 1.32 C ATOM 611 O VAL A 41 -0.101 -12.832 7.690 1.00 4.31 O ATOM 612 CB VAL A 41 -1.389 -10.205 6.158 1.00 10.54 C ATOM 613 CG1 VAL A 41 -1.643 -11.410 5.269 1.00 74.40 C ATOM 614 CG2 VAL A 41 -2.577 -9.258 6.118 1.00 64.45 C ATOM 0 H VAL A 41 -0.418 -8.705 8.002 1.00 45.01 H new ATOM 0 HA VAL A 41 -1.973 -11.158 8.007 1.00 61.10 H new ATOM 0 HB VAL A 41 -0.513 -9.678 5.780 1.00 10.54 H new ATOM 0 HG11 VAL A 41 -1.847 -11.075 4.252 1.00 74.40 H new ATOM 0 HG12 VAL A 41 -0.764 -12.054 5.269 1.00 74.40 H new ATOM 0 HG13 VAL A 41 -2.501 -11.967 5.647 1.00 74.40 H new ATOM 0 HG21 VAL A 41 -2.768 -8.957 5.088 1.00 64.45 H new ATOM 0 HG22 VAL A 41 -3.457 -9.761 6.519 1.00 64.45 H new ATOM 0 HG23 VAL A 41 -2.359 -8.375 6.719 1.00 64.45 H new ATOM 624 N CYS A 42 1.298 -11.079 7.566 1.00 51.32 N ATOM 625 CA CYS A 42 2.489 -11.893 7.444 1.00 12.25 C ATOM 626 C CYS A 42 3.516 -11.484 8.487 1.00 53.12 C ATOM 627 O CYS A 42 3.757 -10.298 8.717 1.00 25.34 O ATOM 628 CB CYS A 42 3.074 -11.755 6.037 1.00 71.31 C ATOM 629 SG CYS A 42 4.489 -12.829 5.709 1.00 23.43 S ATOM 0 H CYS A 42 1.477 -10.076 7.609 1.00 51.32 H new ATOM 0 HA CYS A 42 2.222 -12.936 7.613 1.00 12.25 H new ATOM 0 HB2 CYS A 42 2.292 -11.972 5.309 1.00 71.31 H new ATOM 0 HB3 CYS A 42 3.376 -10.719 5.882 1.00 71.31 H new ATOM 0 HG CYS A 42 4.126 -13.795 4.919 1.00 23.43 H new ATOM 635 N ALA A 43 4.104 -12.477 9.123 1.00 72.43 N ATOM 636 CA ALA A 43 5.108 -12.246 10.148 1.00 21.45 C ATOM 637 C ALA A 43 6.466 -11.943 9.527 1.00 24.23 C ATOM 638 O ALA A 43 7.160 -11.018 9.947 1.00 31.22 O ATOM 639 CB ALA A 43 5.203 -13.450 11.075 1.00 61.33 C ATOM 0 H ALA A 43 3.903 -13.461 8.947 1.00 72.43 H new ATOM 0 HA ALA A 43 4.804 -11.377 10.731 1.00 21.45 H new ATOM 0 HB1 ALA A 43 5.959 -13.263 11.838 1.00 61.33 H new ATOM 0 HB2 ALA A 43 4.238 -13.618 11.554 1.00 61.33 H new ATOM 0 HB3 ALA A 43 5.480 -14.332 10.498 1.00 61.33 H new ATOM 645 N GLY A 44 6.830 -12.715 8.514 1.00 13.22 N ATOM 646 CA GLY A 44 8.121 -12.555 7.882 1.00 60.34 C ATOM 647 C GLY A 44 7.997 -12.045 6.467 1.00 53.15 C ATOM 648 O GLY A 44 8.405 -12.711 5.520 1.00 24.43 O ATOM 0 H GLY A 44 6.249 -13.454 8.117 1.00 13.22 H new ATOM 0 HA2 GLY A 44 8.727 -11.862 8.466 1.00 60.34 H new ATOM 0 HA3 GLY A 44 8.644 -13.511 7.878 1.00 60.34 H new ATOM 652 N VAL A 45 7.408 -10.873 6.329 1.00 22.31 N ATOM 653 CA VAL A 45 7.246 -10.240 5.032 1.00 51.21 C ATOM 654 C VAL A 45 8.423 -9.306 4.722 1.00 30.45 C ATOM 655 O VAL A 45 8.840 -8.509 5.570 1.00 64.22 O ATOM 656 CB VAL A 45 5.911 -9.456 4.972 1.00 63.23 C ATOM 657 CG1 VAL A 45 5.831 -8.413 6.080 1.00 40.13 C ATOM 658 CG2 VAL A 45 5.712 -8.810 3.607 1.00 13.24 C ATOM 0 H VAL A 45 7.030 -10.334 7.108 1.00 22.31 H new ATOM 0 HA VAL A 45 7.226 -11.026 4.277 1.00 51.21 H new ATOM 0 HB VAL A 45 5.104 -10.172 5.127 1.00 63.23 H new ATOM 0 HG11 VAL A 45 4.883 -7.880 6.010 1.00 40.13 H new ATOM 0 HG12 VAL A 45 5.900 -8.906 7.050 1.00 40.13 H new ATOM 0 HG13 VAL A 45 6.653 -7.705 5.974 1.00 40.13 H new ATOM 0 HG21 VAL A 45 4.767 -8.267 3.596 1.00 13.24 H new ATOM 0 HG22 VAL A 45 6.530 -8.118 3.409 1.00 13.24 H new ATOM 0 HG23 VAL A 45 5.696 -9.582 2.838 1.00 13.24 H new ATOM 668 N GLU A 46 8.980 -9.430 3.522 1.00 53.14 N ATOM 669 CA GLU A 46 10.014 -8.509 3.061 1.00 40.32 C ATOM 670 C GLU A 46 9.364 -7.362 2.310 1.00 41.15 C ATOM 671 O GLU A 46 8.406 -7.574 1.569 1.00 45.21 O ATOM 672 CB GLU A 46 11.026 -9.193 2.132 1.00 10.05 C ATOM 673 CG GLU A 46 12.006 -10.130 2.822 1.00 65.11 C ATOM 674 CD GLU A 46 11.399 -11.461 3.199 1.00 5.45 C ATOM 675 OE1 GLU A 46 11.268 -12.329 2.308 1.00 32.23 O ATOM 676 OE2 GLU A 46 11.079 -11.650 4.386 1.00 1.05 O ATOM 0 H GLU A 46 8.734 -10.158 2.851 1.00 53.14 H new ATOM 0 HA GLU A 46 10.549 -8.150 3.940 1.00 40.32 H new ATOM 0 HB2 GLU A 46 10.479 -9.757 1.377 1.00 10.05 H new ATOM 0 HB3 GLU A 46 11.592 -8.423 1.607 1.00 10.05 H new ATOM 0 HG2 GLU A 46 12.858 -10.301 2.164 1.00 65.11 H new ATOM 0 HG3 GLU A 46 12.389 -9.646 3.721 1.00 65.11 H new ATOM 683 N TYR A 47 9.858 -6.151 2.499 1.00 2.43 N ATOM 684 CA TYR A 47 9.324 -5.017 1.765 1.00 32.22 C ATOM 685 C TYR A 47 10.411 -4.022 1.419 1.00 23.11 C ATOM 686 O TYR A 47 11.415 -3.900 2.123 1.00 62.21 O ATOM 687 CB TYR A 47 8.199 -4.325 2.540 1.00 71.43 C ATOM 688 CG TYR A 47 8.626 -3.668 3.839 1.00 51.41 C ATOM 689 CD1 TYR A 47 8.735 -4.399 5.018 1.00 23.55 C ATOM 690 CD2 TYR A 47 8.911 -2.309 3.884 1.00 60.21 C ATOM 691 CE1 TYR A 47 9.119 -3.792 6.201 1.00 14.01 C ATOM 692 CE2 TYR A 47 9.293 -1.697 5.061 1.00 1.30 C ATOM 693 CZ TYR A 47 9.396 -2.441 6.214 1.00 11.02 C ATOM 694 OH TYR A 47 9.773 -1.827 7.387 1.00 72.35 O ATOM 0 H TYR A 47 10.616 -5.929 3.144 1.00 2.43 H new ATOM 0 HA TYR A 47 8.907 -5.407 0.836 1.00 32.22 H new ATOM 0 HB2 TYR A 47 7.748 -3.568 1.898 1.00 71.43 H new ATOM 0 HB3 TYR A 47 7.424 -5.059 2.759 1.00 71.43 H new ATOM 0 HD1 TYR A 47 8.517 -5.457 5.010 1.00 23.55 H new ATOM 0 HD2 TYR A 47 8.832 -1.721 2.982 1.00 60.21 H new ATOM 0 HE1 TYR A 47 9.201 -4.372 7.108 1.00 14.01 H new ATOM 0 HE2 TYR A 47 9.510 -0.639 5.077 1.00 1.30 H new ATOM 0 HH TYR A 47 9.932 -0.874 7.221 1.00 72.35 H new ATOM 704 N ASN A 48 10.199 -3.315 0.328 1.00 23.10 N ATOM 705 CA ASN A 48 11.097 -2.248 -0.077 1.00 11.42 C ATOM 706 C ASN A 48 10.330 -0.949 -0.158 1.00 11.35 C ATOM 707 O ASN A 48 9.103 -0.944 -0.257 1.00 15.41 O ATOM 708 CB ASN A 48 11.753 -2.515 -1.432 1.00 21.02 C ATOM 709 CG ASN A 48 12.559 -3.800 -1.489 1.00 31.23 C ATOM 710 OD1 ASN A 48 12.647 -4.436 -2.538 1.00 75.32 O ATOM 711 ND2 ASN A 48 13.176 -4.178 -0.379 1.00 3.15 N ATOM 0 H ASN A 48 9.408 -3.460 -0.299 1.00 23.10 H new ATOM 0 HA ASN A 48 11.887 -2.192 0.672 1.00 11.42 H new ATOM 0 HB2 ASN A 48 10.978 -2.551 -2.198 1.00 21.02 H new ATOM 0 HB3 ASN A 48 12.406 -1.678 -1.678 1.00 21.02 H new ATOM 0 HD21 ASN A 48 13.748 -5.023 -0.376 1.00 3.15 H new ATOM 0 HD22 ASN A 48 13.079 -3.624 0.472 1.00 3.15 H new ATOM 718 N VAL A 49 11.065 0.141 -0.141 1.00 42.24 N ATOM 719 CA VAL A 49 10.486 1.472 -0.162 1.00 4.25 C ATOM 720 C VAL A 49 11.340 2.369 -1.047 1.00 61.13 C ATOM 721 O VAL A 49 12.546 2.150 -1.170 1.00 73.04 O ATOM 722 CB VAL A 49 10.405 2.082 1.265 1.00 11.21 C ATOM 723 CG1 VAL A 49 9.761 3.460 1.241 1.00 31.55 C ATOM 724 CG2 VAL A 49 9.642 1.167 2.211 1.00 32.34 C ATOM 0 H VAL A 49 12.085 0.132 -0.112 1.00 42.24 H new ATOM 0 HA VAL A 49 9.472 1.399 -0.555 1.00 4.25 H new ATOM 0 HB VAL A 49 11.427 2.185 1.630 1.00 11.21 H new ATOM 0 HG11 VAL A 49 9.719 3.860 2.254 1.00 31.55 H new ATOM 0 HG12 VAL A 49 10.351 4.127 0.612 1.00 31.55 H new ATOM 0 HG13 VAL A 49 8.751 3.382 0.839 1.00 31.55 H new ATOM 0 HG21 VAL A 49 9.602 1.620 3.202 1.00 32.34 H new ATOM 0 HG22 VAL A 49 8.629 1.021 1.837 1.00 32.34 H new ATOM 0 HG23 VAL A 49 10.148 0.204 2.273 1.00 32.34 H new ATOM 734 N SER A 50 10.718 3.354 -1.677 1.00 74.42 N ATOM 735 CA SER A 50 11.446 4.306 -2.502 1.00 12.45 C ATOM 736 C SER A 50 12.300 5.235 -1.638 1.00 1.12 C ATOM 737 O SER A 50 12.303 5.134 -0.408 1.00 52.33 O ATOM 738 CB SER A 50 10.470 5.123 -3.345 1.00 0.41 C ATOM 739 OG SER A 50 9.674 4.278 -4.157 1.00 5.31 O ATOM 0 H SER A 50 9.712 3.515 -1.633 1.00 74.42 H new ATOM 0 HA SER A 50 12.109 3.749 -3.164 1.00 12.45 H new ATOM 0 HB2 SER A 50 9.829 5.717 -2.693 1.00 0.41 H new ATOM 0 HB3 SER A 50 11.022 5.822 -3.973 1.00 0.41 H new ATOM 0 HG SER A 50 9.296 4.797 -4.897 1.00 5.31 H new ATOM 745 N GLU A 51 13.015 6.140 -2.289 1.00 3.44 N ATOM 746 CA GLU A 51 13.921 7.045 -1.599 1.00 53.24 C ATOM 747 C GLU A 51 13.148 8.136 -0.868 1.00 34.23 C ATOM 748 O GLU A 51 12.434 8.927 -1.486 1.00 24.45 O ATOM 749 CB GLU A 51 14.891 7.663 -2.601 1.00 12.53 C ATOM 750 CG GLU A 51 15.713 6.627 -3.349 1.00 24.53 C ATOM 751 CD GLU A 51 16.547 7.228 -4.457 1.00 62.33 C ATOM 752 OE1 GLU A 51 17.685 7.668 -4.183 1.00 20.11 O ATOM 753 OE2 GLU A 51 16.073 7.262 -5.608 1.00 73.33 O ATOM 0 H GLU A 51 12.985 6.267 -3.301 1.00 3.44 H new ATOM 0 HA GLU A 51 14.483 6.477 -0.858 1.00 53.24 H new ATOM 0 HB2 GLU A 51 14.330 8.261 -3.319 1.00 12.53 H new ATOM 0 HB3 GLU A 51 15.563 8.342 -2.076 1.00 12.53 H new ATOM 0 HG2 GLU A 51 16.368 6.113 -2.646 1.00 24.53 H new ATOM 0 HG3 GLU A 51 15.045 5.875 -3.770 1.00 24.53 H new ATOM 760 N LEU A 52 13.280 8.161 0.449 1.00 40.25 N ATOM 761 CA LEU A 52 12.593 9.147 1.259 1.00 55.32 C ATOM 762 C LEU A 52 13.374 10.452 1.284 1.00 15.54 C ATOM 763 O LEU A 52 14.486 10.519 1.814 1.00 60.24 O ATOM 764 CB LEU A 52 12.391 8.622 2.679 1.00 42.04 C ATOM 765 CG LEU A 52 11.543 7.352 2.795 1.00 4.14 C ATOM 766 CD1 LEU A 52 11.456 6.900 4.242 1.00 64.43 C ATOM 767 CD2 LEU A 52 10.149 7.581 2.228 1.00 33.14 C ATOM 0 H LEU A 52 13.858 7.508 0.978 1.00 40.25 H new ATOM 0 HA LEU A 52 11.615 9.337 0.816 1.00 55.32 H new ATOM 0 HB2 LEU A 52 13.369 8.427 3.119 1.00 42.04 H new ATOM 0 HB3 LEU A 52 11.924 9.406 3.275 1.00 42.04 H new ATOM 0 HG LEU A 52 12.026 6.567 2.214 1.00 4.14 H new ATOM 0 HD11 LEU A 52 10.850 5.996 4.305 1.00 64.43 H new ATOM 0 HD12 LEU A 52 12.457 6.692 4.619 1.00 64.43 H new ATOM 0 HD13 LEU A 52 10.998 7.687 4.842 1.00 64.43 H new ATOM 0 HD21 LEU A 52 9.564 6.666 2.321 1.00 33.14 H new ATOM 0 HD22 LEU A 52 9.659 8.383 2.780 1.00 33.14 H new ATOM 0 HD23 LEU A 52 10.225 7.858 1.177 1.00 33.14 H new ATOM 779 N THR A 53 12.787 11.477 0.696 1.00 32.42 N ATOM 780 CA THR A 53 13.377 12.802 0.652 1.00 1.32 C ATOM 781 C THR A 53 12.292 13.844 0.883 1.00 53.25 C ATOM 782 O THR A 53 11.107 13.499 0.924 1.00 45.04 O ATOM 783 CB THR A 53 14.075 13.063 -0.702 1.00 35.41 C ATOM 784 OG1 THR A 53 13.241 12.617 -1.779 1.00 53.13 O ATOM 785 CG2 THR A 53 15.420 12.356 -0.769 1.00 52.51 C ATOM 0 H THR A 53 11.881 11.413 0.232 1.00 32.42 H new ATOM 0 HA THR A 53 14.131 12.869 1.436 1.00 1.32 H new ATOM 0 HB THR A 53 14.244 14.136 -0.794 1.00 35.41 H new ATOM 0 HG1 THR A 53 12.335 12.450 -1.444 1.00 53.13 H new ATOM 0 HG21 THR A 53 15.889 12.557 -1.732 1.00 52.51 H new ATOM 0 HG22 THR A 53 16.064 12.722 0.031 1.00 52.51 H new ATOM 0 HG23 THR A 53 15.273 11.282 -0.654 1.00 52.51 H new ATOM 793 N GLU A 54 12.684 15.099 1.032 1.00 20.15 N ATOM 794 CA GLU A 54 11.736 16.169 1.289 1.00 24.31 C ATOM 795 C GLU A 54 10.677 16.238 0.185 1.00 32.14 C ATOM 796 O GLU A 54 9.482 16.360 0.461 1.00 20.22 O ATOM 797 CB GLU A 54 12.468 17.513 1.451 1.00 45.40 C ATOM 798 CG GLU A 54 13.054 18.110 0.170 1.00 10.52 C ATOM 799 CD GLU A 54 14.108 17.235 -0.481 1.00 71.55 C ATOM 800 OE1 GLU A 54 15.254 17.210 0.008 1.00 32.21 O ATOM 801 OE2 GLU A 54 13.785 16.554 -1.475 1.00 51.12 O ATOM 0 H GLU A 54 13.657 15.402 0.979 1.00 20.15 H new ATOM 0 HA GLU A 54 11.220 15.954 2.225 1.00 24.31 H new ATOM 0 HB2 GLU A 54 11.773 18.234 1.881 1.00 45.40 H new ATOM 0 HB3 GLU A 54 13.276 17.381 2.171 1.00 45.40 H new ATOM 0 HG2 GLU A 54 12.247 18.283 -0.542 1.00 10.52 H new ATOM 0 HG3 GLU A 54 13.491 19.082 0.399 1.00 10.52 H new ATOM 808 N GLU A 55 11.115 16.113 -1.059 1.00 44.41 N ATOM 809 CA GLU A 55 10.210 16.178 -2.187 1.00 3.21 C ATOM 810 C GLU A 55 9.975 14.809 -2.815 1.00 63.12 C ATOM 811 O GLU A 55 10.025 14.656 -4.038 1.00 12.22 O ATOM 812 CB GLU A 55 10.732 17.167 -3.225 1.00 13.44 C ATOM 813 CG GLU A 55 10.426 18.612 -2.874 1.00 41.15 C ATOM 814 CD GLU A 55 8.934 18.872 -2.812 1.00 73.55 C ATOM 815 OE1 GLU A 55 8.283 18.864 -3.878 1.00 33.42 O ATOM 816 OE2 GLU A 55 8.399 19.071 -1.700 1.00 13.01 O ATOM 0 H GLU A 55 12.093 15.966 -1.309 1.00 44.41 H new ATOM 0 HA GLU A 55 9.246 16.527 -1.816 1.00 3.21 H new ATOM 0 HB2 GLU A 55 11.810 17.044 -3.326 1.00 13.44 H new ATOM 0 HB3 GLU A 55 10.292 16.933 -4.195 1.00 13.44 H new ATOM 0 HG2 GLU A 55 10.878 18.856 -1.913 1.00 41.15 H new ATOM 0 HG3 GLU A 55 10.879 19.270 -3.615 1.00 41.15 H new ATOM 823 N SER A 56 9.718 13.813 -1.984 1.00 41.30 N ATOM 824 CA SER A 56 9.187 12.562 -2.472 1.00 3.22 C ATOM 825 C SER A 56 7.677 12.695 -2.573 1.00 3.33 C ATOM 826 O SER A 56 6.966 12.546 -1.581 1.00 21.41 O ATOM 827 CB SER A 56 9.545 11.409 -1.540 1.00 22.42 C ATOM 828 OG SER A 56 10.944 11.331 -1.329 1.00 52.33 O ATOM 0 H SER A 56 9.869 13.850 -0.976 1.00 41.30 H new ATOM 0 HA SER A 56 9.620 12.343 -3.448 1.00 3.22 H new ATOM 0 HB2 SER A 56 9.038 11.541 -0.584 1.00 22.42 H new ATOM 0 HB3 SER A 56 9.187 10.471 -1.964 1.00 22.42 H new ATOM 0 HG SER A 56 11.242 10.405 -1.449 1.00 52.33 H new ATOM 834 N LYS A 57 7.191 13.026 -3.758 1.00 54.45 N ATOM 835 CA LYS A 57 5.767 13.237 -3.955 1.00 41.04 C ATOM 836 C LYS A 57 5.070 11.899 -4.171 1.00 34.35 C ATOM 837 O LYS A 57 3.845 11.831 -4.299 1.00 65.04 O ATOM 838 CB LYS A 57 5.536 14.170 -5.144 1.00 33.41 C ATOM 839 CG LYS A 57 4.194 14.886 -5.119 1.00 0.44 C ATOM 840 CD LYS A 57 4.089 15.879 -3.961 1.00 32.41 C ATOM 841 CE LYS A 57 4.922 17.140 -4.186 1.00 63.03 C ATOM 842 NZ LYS A 57 6.378 16.924 -3.952 1.00 63.15 N ATOM 0 H LYS A 57 7.759 13.154 -4.595 1.00 54.45 H new ATOM 0 HA LYS A 57 5.345 13.705 -3.066 1.00 41.04 H new ATOM 0 HB2 LYS A 57 6.332 14.914 -5.169 1.00 33.41 H new ATOM 0 HB3 LYS A 57 5.611 13.592 -6.065 1.00 33.41 H new ATOM 0 HG2 LYS A 57 4.048 15.413 -6.062 1.00 0.44 H new ATOM 0 HG3 LYS A 57 3.394 14.151 -5.038 1.00 0.44 H new ATOM 0 HD2 LYS A 57 3.045 16.159 -3.822 1.00 32.41 H new ATOM 0 HD3 LYS A 57 4.414 15.393 -3.041 1.00 32.41 H new ATOM 0 HE2 LYS A 57 4.772 17.491 -5.207 1.00 63.03 H new ATOM 0 HE3 LYS A 57 4.566 17.928 -3.522 1.00 63.03 H new ATOM 0 HZ1 LYS A 57 6.811 17.809 -3.618 1.00 63.15 H new ATOM 0 HZ2 LYS A 57 6.508 16.183 -3.234 1.00 63.15 H new ATOM 0 HZ3 LYS A 57 6.832 16.630 -4.840 1.00 63.15 H new ATOM 856 N GLU A 58 5.866 10.839 -4.200 1.00 21.42 N ATOM 857 CA GLU A 58 5.352 9.491 -4.367 1.00 3.44 C ATOM 858 C GLU A 58 6.409 8.475 -3.957 1.00 63.04 C ATOM 859 O GLU A 58 7.606 8.777 -3.956 1.00 54.23 O ATOM 860 CB GLU A 58 4.912 9.227 -5.815 1.00 11.33 C ATOM 861 CG GLU A 58 6.048 9.195 -6.833 1.00 33.33 C ATOM 862 CD GLU A 58 6.578 10.570 -7.187 1.00 24.12 C ATOM 863 OE1 GLU A 58 5.878 11.308 -7.910 1.00 21.05 O ATOM 864 OE2 GLU A 58 7.698 10.915 -6.759 1.00 53.34 O ATOM 0 H GLU A 58 6.881 10.891 -4.109 1.00 21.42 H new ATOM 0 HA GLU A 58 4.477 9.389 -3.726 1.00 3.44 H new ATOM 0 HB2 GLU A 58 4.383 8.274 -5.851 1.00 11.33 H new ATOM 0 HB3 GLU A 58 4.200 9.998 -6.110 1.00 11.33 H new ATOM 0 HG2 GLU A 58 6.864 8.590 -6.437 1.00 33.33 H new ATOM 0 HG3 GLU A 58 5.699 8.704 -7.741 1.00 33.33 H new ATOM 871 N LEU A 59 5.964 7.281 -3.596 1.00 32.13 N ATOM 872 CA LEU A 59 6.868 6.189 -3.268 1.00 42.34 C ATOM 873 C LEU A 59 6.201 4.855 -3.560 1.00 51.10 C ATOM 874 O LEU A 59 4.979 4.724 -3.464 1.00 24.31 O ATOM 875 CB LEU A 59 7.319 6.241 -1.798 1.00 75.15 C ATOM 876 CG LEU A 59 6.302 5.770 -0.748 1.00 1.11 C ATOM 877 CD1 LEU A 59 6.969 5.657 0.607 1.00 11.22 C ATOM 878 CD2 LEU A 59 5.117 6.716 -0.661 1.00 54.20 C ATOM 0 H LEU A 59 4.975 7.043 -3.522 1.00 32.13 H new ATOM 0 HA LEU A 59 7.756 6.297 -3.891 1.00 42.34 H new ATOM 0 HB2 LEU A 59 8.219 5.634 -1.696 1.00 75.15 H new ATOM 0 HB3 LEU A 59 7.599 7.268 -1.564 1.00 75.15 H new ATOM 0 HG LEU A 59 5.933 4.791 -1.055 1.00 1.11 H new ATOM 0 HD11 LEU A 59 6.240 5.322 1.345 1.00 11.22 H new ATOM 0 HD12 LEU A 59 7.786 4.937 0.552 1.00 11.22 H new ATOM 0 HD13 LEU A 59 7.362 6.630 0.901 1.00 11.22 H new ATOM 0 HD21 LEU A 59 4.416 6.353 0.091 1.00 54.20 H new ATOM 0 HD22 LEU A 59 5.465 7.711 -0.383 1.00 54.20 H new ATOM 0 HD23 LEU A 59 4.618 6.764 -1.629 1.00 54.20 H new ATOM 890 N THR A 60 7.001 3.876 -3.924 1.00 21.52 N ATOM 891 CA THR A 60 6.496 2.554 -4.226 1.00 2.23 C ATOM 892 C THR A 60 6.987 1.555 -3.188 1.00 41.33 C ATOM 893 O THR A 60 8.187 1.305 -3.067 1.00 74.21 O ATOM 894 CB THR A 60 6.936 2.099 -5.630 1.00 61.22 C ATOM 895 OG1 THR A 60 6.603 3.109 -6.594 1.00 50.14 O ATOM 896 CG2 THR A 60 6.268 0.788 -6.017 1.00 51.00 C ATOM 0 H THR A 60 8.012 3.972 -4.018 1.00 21.52 H new ATOM 0 HA THR A 60 5.407 2.597 -4.202 1.00 2.23 H new ATOM 0 HB THR A 60 8.015 1.944 -5.614 1.00 61.22 H new ATOM 0 HG1 THR A 60 6.886 2.816 -7.485 1.00 50.14 H new ATOM 0 HG21 THR A 60 6.598 0.492 -7.013 1.00 51.00 H new ATOM 0 HG22 THR A 60 6.541 0.015 -5.299 1.00 51.00 H new ATOM 0 HG23 THR A 60 5.186 0.917 -6.017 1.00 51.00 H new ATOM 904 N ALA A 61 6.060 0.999 -2.432 1.00 60.21 N ATOM 905 CA ALA A 61 6.398 0.016 -1.421 1.00 1.15 C ATOM 906 C ALA A 61 6.069 -1.378 -1.922 1.00 51.41 C ATOM 907 O ALA A 61 4.904 -1.712 -2.139 1.00 70.44 O ATOM 908 CB ALA A 61 5.660 0.308 -0.126 1.00 13.21 C ATOM 0 H ALA A 61 5.065 1.212 -2.499 1.00 60.21 H new ATOM 0 HA ALA A 61 7.468 0.071 -1.221 1.00 1.15 H new ATOM 0 HB1 ALA A 61 5.926 -0.440 0.621 1.00 13.21 H new ATOM 0 HB2 ALA A 61 5.938 1.298 0.236 1.00 13.21 H new ATOM 0 HB3 ALA A 61 4.585 0.276 -0.305 1.00 13.21 H new ATOM 914 N ARG A 62 7.098 -2.184 -2.127 1.00 33.25 N ATOM 915 CA ARG A 62 6.903 -3.532 -2.641 1.00 72.21 C ATOM 916 C ARG A 62 6.929 -4.532 -1.497 1.00 64.11 C ATOM 917 O ARG A 62 7.948 -4.679 -0.827 1.00 75.45 O ATOM 918 CB ARG A 62 7.988 -3.900 -3.659 1.00 70.33 C ATOM 919 CG ARG A 62 8.270 -2.819 -4.689 1.00 73.34 C ATOM 920 CD ARG A 62 8.713 -3.419 -6.013 1.00 20.10 C ATOM 921 NE ARG A 62 7.578 -3.970 -6.753 1.00 33.11 N ATOM 922 CZ ARG A 62 7.672 -4.850 -7.747 1.00 53.45 C ATOM 923 NH1 ARG A 62 8.846 -5.372 -8.076 1.00 41.23 N ATOM 924 NH2 ARG A 62 6.577 -5.221 -8.395 1.00 62.32 N ATOM 0 H ARG A 62 8.070 -1.932 -1.947 1.00 33.25 H new ATOM 0 HA ARG A 62 5.934 -3.563 -3.139 1.00 72.21 H new ATOM 0 HB2 ARG A 62 8.911 -4.126 -3.124 1.00 70.33 H new ATOM 0 HB3 ARG A 62 7.689 -4.811 -4.178 1.00 70.33 H new ATOM 0 HG2 ARG A 62 7.374 -2.217 -4.842 1.00 73.34 H new ATOM 0 HG3 ARG A 62 9.044 -2.149 -4.314 1.00 73.34 H new ATOM 0 HD2 ARG A 62 9.205 -2.655 -6.614 1.00 20.10 H new ATOM 0 HD3 ARG A 62 9.447 -4.204 -5.831 1.00 20.10 H new ATOM 0 HE ARG A 62 6.645 -3.656 -6.487 1.00 33.11 H new ATOM 0 HH11 ARG A 62 9.686 -5.100 -7.566 1.00 41.23 H new ATOM 0 HH12 ARG A 62 8.909 -6.046 -8.839 1.00 41.23 H new ATOM 0 HH21 ARG A 62 5.672 -4.833 -8.131 1.00 62.32 H new ATOM 0 HH22 ARG A 62 6.640 -5.895 -9.158 1.00 62.32 H new ATOM 938 N PHE A 63 5.813 -5.208 -1.275 1.00 3.42 N ATOM 939 CA PHE A 63 5.720 -6.211 -0.227 1.00 23.12 C ATOM 940 C PHE A 63 5.790 -7.611 -0.826 1.00 2.55 C ATOM 941 O PHE A 63 5.041 -7.936 -1.745 1.00 50.54 O ATOM 942 CB PHE A 63 4.407 -6.061 0.552 1.00 33.51 C ATOM 943 CG PHE A 63 4.215 -4.715 1.193 1.00 31.51 C ATOM 944 CD1 PHE A 63 4.713 -4.460 2.461 1.00 43.32 C ATOM 945 CD2 PHE A 63 3.526 -3.709 0.533 1.00 43.24 C ATOM 946 CE1 PHE A 63 4.533 -3.226 3.057 1.00 31.02 C ATOM 947 CE2 PHE A 63 3.342 -2.473 1.124 1.00 31.20 C ATOM 948 CZ PHE A 63 3.846 -2.232 2.387 1.00 53.01 C ATOM 0 H PHE A 63 4.954 -5.079 -1.810 1.00 3.42 H new ATOM 0 HA PHE A 63 6.558 -6.064 0.454 1.00 23.12 H new ATOM 0 HB2 PHE A 63 3.574 -6.250 -0.125 1.00 33.51 H new ATOM 0 HB3 PHE A 63 4.369 -6.827 1.326 1.00 33.51 H new ATOM 0 HD1 PHE A 63 5.248 -5.235 2.990 1.00 43.32 H new ATOM 0 HD2 PHE A 63 3.129 -3.893 -0.454 1.00 43.24 H new ATOM 0 HE1 PHE A 63 4.929 -3.039 4.044 1.00 31.02 H new ATOM 0 HE2 PHE A 63 2.805 -1.697 0.599 1.00 31.20 H new ATOM 0 HZ PHE A 63 3.703 -1.267 2.851 1.00 53.01 H new ATOM 958 N LYS A 64 6.701 -8.426 -0.323 1.00 5.51 N ATOM 959 CA LYS A 64 6.764 -9.824 -0.711 1.00 43.22 C ATOM 960 C LYS A 64 6.571 -10.698 0.515 1.00 35.23 C ATOM 961 O LYS A 64 7.390 -10.687 1.436 1.00 13.32 O ATOM 962 CB LYS A 64 8.090 -10.166 -1.391 1.00 25.21 C ATOM 963 CG LYS A 64 8.143 -11.603 -1.887 1.00 51.30 C ATOM 964 CD LYS A 64 9.472 -11.934 -2.547 1.00 31.50 C ATOM 965 CE LYS A 64 9.479 -13.360 -3.074 1.00 51.41 C ATOM 966 NZ LYS A 64 10.791 -13.736 -3.661 1.00 15.21 N ATOM 0 H LYS A 64 7.408 -8.143 0.356 1.00 5.51 H new ATOM 0 HA LYS A 64 5.967 -10.011 -1.431 1.00 43.22 H new ATOM 0 HB2 LYS A 64 8.247 -9.490 -2.231 1.00 25.21 H new ATOM 0 HB3 LYS A 64 8.907 -9.998 -0.689 1.00 25.21 H new ATOM 0 HG2 LYS A 64 7.976 -12.281 -1.050 1.00 51.30 H new ATOM 0 HG3 LYS A 64 7.334 -11.770 -2.599 1.00 51.30 H new ATOM 0 HD2 LYS A 64 9.658 -11.239 -3.366 1.00 31.50 H new ATOM 0 HD3 LYS A 64 10.281 -11.804 -1.828 1.00 31.50 H new ATOM 0 HE2 LYS A 64 9.236 -14.046 -2.263 1.00 51.41 H new ATOM 0 HE3 LYS A 64 8.700 -13.470 -3.829 1.00 51.41 H new ATOM 0 HZ1 LYS A 64 10.749 -14.716 -4.007 1.00 15.21 H new ATOM 0 HZ2 LYS A 64 11.013 -13.099 -4.452 1.00 15.21 H new ATOM 0 HZ3 LYS A 64 11.532 -13.657 -2.935 1.00 15.21 H new ATOM 980 N PHE A 65 5.482 -11.440 0.521 1.00 44.31 N ATOM 981 CA PHE A 65 5.114 -12.254 1.668 1.00 24.13 C ATOM 982 C PHE A 65 5.794 -13.617 1.598 1.00 43.13 C ATOM 983 O PHE A 65 6.630 -13.857 0.725 1.00 14.30 O ATOM 984 CB PHE A 65 3.593 -12.409 1.714 1.00 53.13 C ATOM 985 CG PHE A 65 2.865 -11.091 1.753 1.00 13.11 C ATOM 986 CD1 PHE A 65 2.540 -10.426 0.580 1.00 60.12 C ATOM 987 CD2 PHE A 65 2.513 -10.516 2.960 1.00 61.14 C ATOM 988 CE1 PHE A 65 1.879 -9.214 0.615 1.00 63.31 C ATOM 989 CE2 PHE A 65 1.851 -9.305 3.001 1.00 24.13 C ATOM 990 CZ PHE A 65 1.535 -8.654 1.826 1.00 42.15 C ATOM 0 H PHE A 65 4.830 -11.498 -0.261 1.00 44.31 H new ATOM 0 HA PHE A 65 5.449 -11.760 2.580 1.00 24.13 H new ATOM 0 HB2 PHE A 65 3.265 -12.973 0.841 1.00 53.13 H new ATOM 0 HB3 PHE A 65 3.320 -12.994 2.592 1.00 53.13 H new ATOM 0 HD1 PHE A 65 2.807 -10.861 -0.372 1.00 60.12 H new ATOM 0 HD2 PHE A 65 2.759 -11.021 3.883 1.00 61.14 H new ATOM 0 HE1 PHE A 65 1.632 -8.706 -0.305 1.00 63.31 H new ATOM 0 HE2 PHE A 65 1.581 -8.868 3.951 1.00 24.13 H new ATOM 0 HZ PHE A 65 1.018 -7.706 1.856 1.00 42.15 H new ATOM 1000 N GLU A 66 5.440 -14.503 2.517 1.00 43.23 N ATOM 1001 CA GLU A 66 6.025 -15.828 2.552 1.00 63.31 C ATOM 1002 C GLU A 66 5.335 -16.729 1.540 1.00 65.02 C ATOM 1003 O GLU A 66 5.976 -17.539 0.866 1.00 64.55 O ATOM 1004 CB GLU A 66 5.904 -16.408 3.957 1.00 45.42 C ATOM 1005 CG GLU A 66 6.756 -15.682 4.986 1.00 21.00 C ATOM 1006 CD GLU A 66 6.537 -16.197 6.393 1.00 54.44 C ATOM 1007 OE1 GLU A 66 6.642 -17.424 6.610 1.00 25.35 O ATOM 1008 OE2 GLU A 66 6.246 -15.382 7.294 1.00 31.45 O ATOM 0 H GLU A 66 4.750 -14.325 3.247 1.00 43.23 H new ATOM 0 HA GLU A 66 7.081 -15.762 2.291 1.00 63.31 H new ATOM 0 HB2 GLU A 66 4.860 -16.370 4.269 1.00 45.42 H new ATOM 0 HB3 GLU A 66 6.192 -17.459 3.934 1.00 45.42 H new ATOM 0 HG2 GLU A 66 7.808 -15.791 4.723 1.00 21.00 H new ATOM 0 HG3 GLU A 66 6.528 -14.617 4.954 1.00 21.00 H new ATOM 1015 N VAL A 67 4.021 -16.574 1.433 1.00 61.41 N ATOM 1016 CA VAL A 67 3.236 -17.319 0.458 1.00 21.23 C ATOM 1017 C VAL A 67 2.251 -16.396 -0.250 1.00 53.12 C ATOM 1018 O VAL A 67 1.943 -15.305 0.239 1.00 53.42 O ATOM 1019 CB VAL A 67 2.465 -18.496 1.104 1.00 5.41 C ATOM 1020 CG1 VAL A 67 3.426 -19.534 1.659 1.00 34.12 C ATOM 1021 CG2 VAL A 67 1.528 -18.002 2.197 1.00 44.20 C ATOM 0 H VAL A 67 3.475 -15.936 2.012 1.00 61.41 H new ATOM 0 HA VAL A 67 3.939 -17.733 -0.265 1.00 21.23 H new ATOM 0 HB VAL A 67 1.863 -18.965 0.326 1.00 5.41 H new ATOM 0 HG11 VAL A 67 2.860 -20.351 2.108 1.00 34.12 H new ATOM 0 HG12 VAL A 67 4.047 -19.923 0.852 1.00 34.12 H new ATOM 0 HG13 VAL A 67 4.061 -19.074 2.416 1.00 34.12 H new ATOM 0 HG21 VAL A 67 0.999 -18.849 2.633 1.00 44.20 H new ATOM 0 HG22 VAL A 67 2.106 -17.497 2.971 1.00 44.20 H new ATOM 0 HG23 VAL A 67 0.807 -17.305 1.770 1.00 44.20 H new ATOM 1031 N SER A 68 1.752 -16.839 -1.395 1.00 14.10 N ATOM 1032 CA SER A 68 0.825 -16.046 -2.187 1.00 12.30 C ATOM 1033 C SER A 68 -0.498 -15.840 -1.455 1.00 14.42 C ATOM 1034 O SER A 68 -1.190 -14.844 -1.671 1.00 51.34 O ATOM 1035 CB SER A 68 0.582 -16.723 -3.531 1.00 3.20 C ATOM 1036 OG SER A 68 1.797 -16.925 -4.235 1.00 12.03 O ATOM 0 H SER A 68 1.976 -17.749 -1.798 1.00 14.10 H new ATOM 0 HA SER A 68 1.272 -15.065 -2.351 1.00 12.30 H new ATOM 0 HB2 SER A 68 0.087 -17.681 -3.373 1.00 3.20 H new ATOM 0 HB3 SER A 68 -0.091 -16.112 -4.132 1.00 3.20 H new ATOM 0 HG SER A 68 1.643 -16.802 -5.195 1.00 12.03 H new ATOM 1042 N ALA A 69 -0.833 -16.783 -0.590 1.00 61.31 N ATOM 1043 CA ALA A 69 -2.053 -16.702 0.206 1.00 51.24 C ATOM 1044 C ALA A 69 -2.063 -15.440 1.060 1.00 14.34 C ATOM 1045 O ALA A 69 -3.086 -14.768 1.182 1.00 73.51 O ATOM 1046 CB ALA A 69 -2.196 -17.937 1.082 1.00 52.42 C ATOM 0 H ALA A 69 -0.275 -17.620 -0.418 1.00 61.31 H new ATOM 0 HA ALA A 69 -2.902 -16.657 -0.476 1.00 51.24 H new ATOM 0 HB1 ALA A 69 -3.111 -17.862 1.670 1.00 52.42 H new ATOM 0 HB2 ALA A 69 -2.241 -18.826 0.453 1.00 52.42 H new ATOM 0 HB3 ALA A 69 -1.339 -18.009 1.752 1.00 52.42 H new ATOM 1052 N GLU A 70 -0.908 -15.116 1.628 1.00 44.45 N ATOM 1053 CA GLU A 70 -0.760 -13.927 2.451 1.00 10.42 C ATOM 1054 C GLU A 70 -0.908 -12.674 1.599 1.00 0.12 C ATOM 1055 O GLU A 70 -1.457 -11.662 2.039 1.00 3.45 O ATOM 1056 CB GLU A 70 0.602 -13.949 3.144 1.00 44.20 C ATOM 1057 CG GLU A 70 0.808 -15.169 4.026 1.00 4.10 C ATOM 1058 CD GLU A 70 2.158 -15.172 4.713 1.00 0.01 C ATOM 1059 OE1 GLU A 70 3.170 -14.901 4.037 1.00 64.15 O ATOM 1060 OE2 GLU A 70 2.211 -15.458 5.930 1.00 63.40 O ATOM 0 H GLU A 70 -0.055 -15.667 1.531 1.00 44.45 H new ATOM 0 HA GLU A 70 -1.542 -13.916 3.210 1.00 10.42 H new ATOM 0 HB2 GLU A 70 1.387 -13.919 2.388 1.00 44.20 H new ATOM 0 HB3 GLU A 70 0.708 -13.049 3.750 1.00 44.20 H new ATOM 0 HG2 GLU A 70 0.021 -15.205 4.780 1.00 4.10 H new ATOM 0 HG3 GLU A 70 0.711 -16.070 3.421 1.00 4.10 H new ATOM 1067 N LYS A 71 -0.428 -12.762 0.366 1.00 22.23 N ATOM 1068 CA LYS A 71 -0.537 -11.665 -0.585 1.00 53.13 C ATOM 1069 C LYS A 71 -2.003 -11.376 -0.867 1.00 13.43 C ATOM 1070 O LYS A 71 -2.456 -10.236 -0.773 1.00 10.13 O ATOM 1071 CB LYS A 71 0.181 -12.032 -1.886 1.00 14.13 C ATOM 1072 CG LYS A 71 0.634 -10.830 -2.709 1.00 11.21 C ATOM 1073 CD LYS A 71 -0.530 -10.155 -3.411 1.00 43.11 C ATOM 1074 CE LYS A 71 -0.967 -10.918 -4.648 1.00 53.21 C ATOM 1075 NZ LYS A 71 -0.026 -10.708 -5.779 1.00 21.32 N ATOM 0 H LYS A 71 0.044 -13.589 -0.001 1.00 22.23 H new ATOM 0 HA LYS A 71 -0.071 -10.775 -0.161 1.00 53.13 H new ATOM 0 HB2 LYS A 71 1.051 -12.644 -1.648 1.00 14.13 H new ATOM 0 HB3 LYS A 71 -0.484 -12.645 -2.494 1.00 14.13 H new ATOM 0 HG2 LYS A 71 1.132 -10.111 -2.058 1.00 11.21 H new ATOM 0 HG3 LYS A 71 1.367 -11.152 -3.449 1.00 11.21 H new ATOM 0 HD2 LYS A 71 -1.370 -10.071 -2.721 1.00 43.11 H new ATOM 0 HD3 LYS A 71 -0.245 -9.141 -3.692 1.00 43.11 H new ATOM 0 HE2 LYS A 71 -1.029 -11.982 -4.418 1.00 53.21 H new ATOM 0 HE3 LYS A 71 -1.967 -10.597 -4.941 1.00 53.21 H new ATOM 0 HZ1 LYS A 71 -0.565 -10.524 -6.649 1.00 21.32 H new ATOM 0 HZ2 LYS A 71 0.588 -9.894 -5.573 1.00 21.32 H new ATOM 0 HZ3 LYS A 71 0.559 -11.559 -5.907 1.00 21.32 H new ATOM 1089 N LEU A 72 -2.728 -12.432 -1.208 1.00 54.35 N ATOM 1090 CA LEU A 72 -4.152 -12.336 -1.518 1.00 5.24 C ATOM 1091 C LEU A 72 -4.924 -11.649 -0.393 1.00 30.44 C ATOM 1092 O LEU A 72 -5.719 -10.748 -0.647 1.00 25.40 O ATOM 1093 CB LEU A 72 -4.738 -13.726 -1.779 1.00 74.33 C ATOM 1094 CG LEU A 72 -4.145 -14.470 -2.977 1.00 14.51 C ATOM 1095 CD1 LEU A 72 -4.752 -15.859 -3.089 1.00 13.03 C ATOM 1096 CD2 LEU A 72 -4.370 -13.687 -4.264 1.00 74.04 C ATOM 0 H LEU A 72 -2.350 -13.377 -1.278 1.00 54.35 H new ATOM 0 HA LEU A 72 -4.252 -11.730 -2.418 1.00 5.24 H new ATOM 0 HB2 LEU A 72 -4.596 -14.336 -0.887 1.00 74.33 H new ATOM 0 HB3 LEU A 72 -5.813 -13.627 -1.929 1.00 74.33 H new ATOM 0 HG LEU A 72 -3.071 -14.569 -2.821 1.00 14.51 H new ATOM 0 HD11 LEU A 72 -4.321 -16.377 -3.946 1.00 13.03 H new ATOM 0 HD12 LEU A 72 -4.541 -16.423 -2.180 1.00 13.03 H new ATOM 0 HD13 LEU A 72 -5.831 -15.775 -3.221 1.00 13.03 H new ATOM 0 HD21 LEU A 72 -3.940 -14.235 -5.103 1.00 74.04 H new ATOM 0 HD22 LEU A 72 -5.440 -13.554 -4.427 1.00 74.04 H new ATOM 0 HD23 LEU A 72 -3.891 -12.711 -4.184 1.00 74.04 H new ATOM 1108 N ILE A 73 -4.674 -12.065 0.844 1.00 5.05 N ATOM 1109 CA ILE A 73 -5.355 -11.483 1.999 1.00 13.51 C ATOM 1110 C ILE A 73 -5.074 -9.981 2.103 1.00 64.31 C ATOM 1111 O ILE A 73 -5.985 -9.185 2.331 1.00 50.45 O ATOM 1112 CB ILE A 73 -4.930 -12.185 3.310 1.00 23.52 C ATOM 1113 CG1 ILE A 73 -5.251 -13.683 3.238 1.00 2.30 C ATOM 1114 CG2 ILE A 73 -5.620 -11.552 4.511 1.00 63.40 C ATOM 1115 CD1 ILE A 73 -4.769 -14.471 4.440 1.00 62.44 C ATOM 0 H ILE A 73 -4.007 -12.801 1.074 1.00 5.05 H new ATOM 0 HA ILE A 73 -6.425 -11.632 1.854 1.00 13.51 H new ATOM 0 HB ILE A 73 -3.854 -12.062 3.432 1.00 23.52 H new ATOM 0 HG12 ILE A 73 -6.329 -13.810 3.141 1.00 2.30 H new ATOM 0 HG13 ILE A 73 -4.799 -14.099 2.338 1.00 2.30 H new ATOM 0 HG21 ILE A 73 -5.306 -12.062 5.422 1.00 63.40 H new ATOM 0 HG22 ILE A 73 -5.348 -10.498 4.573 1.00 63.40 H new ATOM 0 HG23 ILE A 73 -6.700 -11.642 4.399 1.00 63.40 H new ATOM 0 HD11 ILE A 73 -5.033 -15.521 4.316 1.00 62.44 H new ATOM 0 HD12 ILE A 73 -3.687 -14.376 4.527 1.00 62.44 H new ATOM 0 HD13 ILE A 73 -5.241 -14.083 5.343 1.00 62.44 H new ATOM 1127 N PHE A 74 -3.816 -9.601 1.913 1.00 74.23 N ATOM 1128 CA PHE A 74 -3.421 -8.196 1.958 1.00 21.41 C ATOM 1129 C PHE A 74 -4.132 -7.404 0.863 1.00 24.14 C ATOM 1130 O PHE A 74 -4.638 -6.304 1.102 1.00 51.23 O ATOM 1131 CB PHE A 74 -1.901 -8.077 1.811 1.00 52.21 C ATOM 1132 CG PHE A 74 -1.382 -6.666 1.877 1.00 43.32 C ATOM 1133 CD1 PHE A 74 -1.213 -6.032 3.096 1.00 21.11 C ATOM 1134 CD2 PHE A 74 -1.056 -5.982 0.718 1.00 61.54 C ATOM 1135 CE1 PHE A 74 -0.728 -4.740 3.159 1.00 13.11 C ATOM 1136 CE2 PHE A 74 -0.572 -4.690 0.775 1.00 33.53 C ATOM 1137 CZ PHE A 74 -0.407 -4.067 1.997 1.00 32.35 C ATOM 0 H PHE A 74 -3.049 -10.247 1.726 1.00 74.23 H new ATOM 0 HA PHE A 74 -3.714 -7.778 2.921 1.00 21.41 H new ATOM 0 HB2 PHE A 74 -1.425 -8.664 2.596 1.00 52.21 H new ATOM 0 HB3 PHE A 74 -1.604 -8.517 0.859 1.00 52.21 H new ATOM 0 HD1 PHE A 74 -1.463 -6.553 4.008 1.00 21.11 H new ATOM 0 HD2 PHE A 74 -1.182 -6.464 -0.240 1.00 61.54 H new ATOM 0 HE1 PHE A 74 -0.600 -4.257 4.116 1.00 13.11 H new ATOM 0 HE2 PHE A 74 -0.322 -4.166 -0.136 1.00 33.53 H new ATOM 0 HZ PHE A 74 -0.028 -3.057 2.043 1.00 32.35 H new ATOM 1147 N GLU A 75 -4.171 -7.976 -0.331 1.00 51.40 N ATOM 1148 CA GLU A 75 -4.858 -7.362 -1.460 1.00 31.40 C ATOM 1149 C GLU A 75 -6.345 -7.202 -1.163 1.00 42.54 C ATOM 1150 O GLU A 75 -6.922 -6.147 -1.410 1.00 13.12 O ATOM 1151 CB GLU A 75 -4.668 -8.209 -2.717 1.00 63.05 C ATOM 1152 CG GLU A 75 -3.242 -8.214 -3.241 1.00 34.31 C ATOM 1153 CD GLU A 75 -2.862 -6.921 -3.935 1.00 65.41 C ATOM 1154 OE1 GLU A 75 -2.680 -5.894 -3.252 1.00 74.12 O ATOM 1155 OE2 GLU A 75 -2.755 -6.926 -5.181 1.00 24.53 O ATOM 0 H GLU A 75 -3.732 -8.871 -0.545 1.00 51.40 H new ATOM 0 HA GLU A 75 -4.428 -6.374 -1.626 1.00 31.40 H new ATOM 0 HB2 GLU A 75 -4.970 -9.234 -2.503 1.00 63.05 H new ATOM 0 HB3 GLU A 75 -5.331 -7.838 -3.498 1.00 63.05 H new ATOM 0 HG2 GLU A 75 -2.557 -8.390 -2.412 1.00 34.31 H new ATOM 0 HG3 GLU A 75 -3.119 -9.043 -3.937 1.00 34.31 H new ATOM 1162 N LEU A 76 -6.950 -8.250 -0.616 1.00 11.54 N ATOM 1163 CA LEU A 76 -8.361 -8.257 -0.303 1.00 12.33 C ATOM 1164 C LEU A 76 -8.719 -7.185 0.721 1.00 4.11 C ATOM 1165 O LEU A 76 -9.761 -6.539 0.612 1.00 12.11 O ATOM 1166 CB LEU A 76 -8.741 -9.639 0.215 1.00 71.22 C ATOM 1167 CG LEU A 76 -8.819 -10.734 -0.850 1.00 45.43 C ATOM 1168 CD1 LEU A 76 -9.165 -12.070 -0.213 1.00 24.14 C ATOM 1169 CD2 LEU A 76 -9.841 -10.371 -1.921 1.00 75.15 C ATOM 0 H LEU A 76 -6.469 -9.117 -0.379 1.00 11.54 H new ATOM 0 HA LEU A 76 -8.922 -8.030 -1.209 1.00 12.33 H new ATOM 0 HB2 LEU A 76 -8.014 -9.939 0.970 1.00 71.22 H new ATOM 0 HB3 LEU A 76 -9.708 -9.570 0.714 1.00 71.22 H new ATOM 0 HG LEU A 76 -7.842 -10.821 -1.326 1.00 45.43 H new ATOM 0 HD11 LEU A 76 -9.217 -12.838 -0.984 1.00 24.14 H new ATOM 0 HD12 LEU A 76 -8.397 -12.336 0.514 1.00 24.14 H new ATOM 0 HD13 LEU A 76 -10.129 -11.995 0.289 1.00 24.14 H new ATOM 0 HD21 LEU A 76 -9.881 -11.163 -2.669 1.00 75.15 H new ATOM 0 HD22 LEU A 76 -10.823 -10.255 -1.462 1.00 75.15 H new ATOM 0 HD23 LEU A 76 -9.551 -9.435 -2.399 1.00 75.15 H new ATOM 1181 N LYS A 77 -7.853 -6.998 1.707 1.00 43.42 N ATOM 1182 CA LYS A 77 -8.083 -5.999 2.740 1.00 0.13 C ATOM 1183 C LYS A 77 -7.888 -4.586 2.198 1.00 41.20 C ATOM 1184 O LYS A 77 -8.644 -3.674 2.535 1.00 74.15 O ATOM 1185 CB LYS A 77 -7.155 -6.230 3.934 1.00 65.10 C ATOM 1186 CG LYS A 77 -7.501 -7.468 4.743 1.00 12.21 C ATOM 1187 CD LYS A 77 -6.587 -7.613 5.945 1.00 33.44 C ATOM 1188 CE LYS A 77 -6.980 -8.799 6.808 1.00 14.13 C ATOM 1189 NZ LYS A 77 -8.329 -8.632 7.414 1.00 53.20 N ATOM 0 H LYS A 77 -6.986 -7.524 1.813 1.00 43.42 H new ATOM 0 HA LYS A 77 -9.117 -6.102 3.070 1.00 0.13 H new ATOM 0 HB2 LYS A 77 -6.129 -6.316 3.575 1.00 65.10 H new ATOM 0 HB3 LYS A 77 -7.192 -5.358 4.587 1.00 65.10 H new ATOM 0 HG2 LYS A 77 -8.537 -7.410 5.076 1.00 12.21 H new ATOM 0 HG3 LYS A 77 -7.418 -8.353 4.112 1.00 12.21 H new ATOM 0 HD2 LYS A 77 -5.558 -7.734 5.607 1.00 33.44 H new ATOM 0 HD3 LYS A 77 -6.622 -6.701 6.541 1.00 33.44 H new ATOM 0 HE2 LYS A 77 -6.965 -9.706 6.204 1.00 14.13 H new ATOM 0 HE3 LYS A 77 -6.242 -8.931 7.599 1.00 14.13 H new ATOM 0 HZ1 LYS A 77 -8.459 -9.334 8.170 1.00 53.20 H new ATOM 0 HZ2 LYS A 77 -8.415 -7.675 7.812 1.00 53.20 H new ATOM 0 HZ3 LYS A 77 -9.057 -8.770 6.684 1.00 53.20 H new ATOM 1203 N THR A 78 -6.885 -4.409 1.347 1.00 2.11 N ATOM 1204 CA THR A 78 -6.567 -3.089 0.817 1.00 25.32 C ATOM 1205 C THR A 78 -7.606 -2.617 -0.201 1.00 3.22 C ATOM 1206 O THR A 78 -7.735 -1.418 -0.449 1.00 4.23 O ATOM 1207 CB THR A 78 -5.163 -3.056 0.179 1.00 75.22 C ATOM 1208 OG1 THR A 78 -4.973 -4.206 -0.653 1.00 15.42 O ATOM 1209 CG2 THR A 78 -4.081 -3.008 1.246 1.00 2.21 C ATOM 0 H THR A 78 -6.281 -5.159 1.010 1.00 2.11 H new ATOM 0 HA THR A 78 -6.582 -2.406 1.666 1.00 25.32 H new ATOM 0 HB THR A 78 -5.088 -2.154 -0.429 1.00 75.22 H new ATOM 0 HG1 THR A 78 -4.719 -4.973 -0.098 1.00 15.42 H new ATOM 0 HG21 THR A 78 -3.101 -2.985 0.770 1.00 2.21 H new ATOM 0 HG22 THR A 78 -4.209 -2.113 1.854 1.00 2.21 H new ATOM 0 HG23 THR A 78 -4.156 -3.891 1.880 1.00 2.21 H new ATOM 1217 N ARG A 79 -8.348 -3.560 -0.780 1.00 45.13 N ATOM 1218 CA ARG A 79 -9.390 -3.243 -1.739 1.00 31.23 C ATOM 1219 C ARG A 79 -10.405 -2.259 -1.163 1.00 44.13 C ATOM 1220 O ARG A 79 -10.713 -1.240 -1.777 1.00 52.41 O ATOM 1221 CB ARG A 79 -10.105 -4.522 -2.167 1.00 51.22 C ATOM 1222 CG ARG A 79 -9.286 -5.444 -3.062 1.00 35.22 C ATOM 1223 CD ARG A 79 -8.881 -4.772 -4.369 1.00 25.02 C ATOM 1224 NE ARG A 79 -7.698 -3.924 -4.210 1.00 41.45 N ATOM 1225 CZ ARG A 79 -7.660 -2.627 -4.511 1.00 15.05 C ATOM 1226 NH1 ARG A 79 -8.749 -1.998 -4.941 1.00 44.22 N ATOM 1227 NH2 ARG A 79 -6.532 -1.947 -4.361 1.00 71.25 N ATOM 0 H ARG A 79 -8.240 -4.557 -0.595 1.00 45.13 H new ATOM 0 HA ARG A 79 -8.917 -2.774 -2.602 1.00 31.23 H new ATOM 0 HB2 ARG A 79 -10.399 -5.073 -1.274 1.00 51.22 H new ATOM 0 HB3 ARG A 79 -11.022 -4.251 -2.691 1.00 51.22 H new ATOM 0 HG2 ARG A 79 -8.391 -5.764 -2.528 1.00 35.22 H new ATOM 0 HG3 ARG A 79 -9.864 -6.341 -3.281 1.00 35.22 H new ATOM 0 HD2 ARG A 79 -8.681 -5.535 -5.121 1.00 25.02 H new ATOM 0 HD3 ARG A 79 -9.711 -4.170 -4.739 1.00 25.02 H new ATOM 0 HE ARG A 79 -6.848 -4.354 -3.845 1.00 41.45 H new ATOM 0 HH11 ARG A 79 -9.626 -2.509 -5.044 1.00 44.22 H new ATOM 0 HH12 ARG A 79 -8.708 -1.005 -5.168 1.00 44.22 H new ATOM 0 HH21 ARG A 79 -5.695 -2.417 -4.016 1.00 71.25 H new ATOM 0 HH22 ARG A 79 -6.501 -0.954 -4.591 1.00 71.25 H new ATOM 1241 N SER A 80 -10.914 -2.564 0.019 1.00 23.34 N ATOM 1242 CA SER A 80 -11.925 -1.743 0.643 1.00 53.33 C ATOM 1243 C SER A 80 -11.307 -0.617 1.465 1.00 32.13 C ATOM 1244 O SER A 80 -12.004 0.308 1.886 1.00 5.41 O ATOM 1245 CB SER A 80 -12.813 -2.623 1.509 1.00 73.24 C ATOM 1246 OG SER A 80 -13.489 -3.589 0.721 1.00 54.23 O ATOM 0 H SER A 80 -10.638 -3.381 0.565 1.00 23.34 H new ATOM 0 HA SER A 80 -12.525 -1.272 -0.136 1.00 53.33 H new ATOM 0 HB2 SER A 80 -12.209 -3.123 2.266 1.00 73.24 H new ATOM 0 HB3 SER A 80 -13.539 -2.006 2.037 1.00 73.24 H new ATOM 0 HG SER A 80 -14.053 -4.145 1.298 1.00 54.23 H new ATOM 1252 N LEU A 81 -10.003 -0.697 1.695 1.00 2.52 N ATOM 1253 CA LEU A 81 -9.294 0.329 2.423 1.00 55.51 C ATOM 1254 C LEU A 81 -8.967 1.491 1.489 1.00 43.43 C ATOM 1255 O LEU A 81 -9.166 2.657 1.829 1.00 44.13 O ATOM 1256 CB LEU A 81 -8.024 -0.271 3.027 1.00 43.24 C ATOM 1257 CG LEU A 81 -6.970 0.738 3.451 1.00 51.25 C ATOM 1258 CD1 LEU A 81 -7.461 1.581 4.620 1.00 4.11 C ATOM 1259 CD2 LEU A 81 -5.671 0.035 3.801 1.00 52.12 C ATOM 0 H LEU A 81 -9.417 -1.471 1.382 1.00 2.52 H new ATOM 0 HA LEU A 81 -9.916 0.712 3.232 1.00 55.51 H new ATOM 0 HB2 LEU A 81 -8.301 -0.869 3.895 1.00 43.24 H new ATOM 0 HB3 LEU A 81 -7.581 -0.951 2.299 1.00 43.24 H new ATOM 0 HG LEU A 81 -6.783 1.407 2.611 1.00 51.25 H new ATOM 0 HD11 LEU A 81 -6.688 2.295 4.904 1.00 4.11 H new ATOM 0 HD12 LEU A 81 -8.362 2.119 4.327 1.00 4.11 H new ATOM 0 HD13 LEU A 81 -7.685 0.933 5.467 1.00 4.11 H new ATOM 0 HD21 LEU A 81 -4.928 0.773 4.102 1.00 52.12 H new ATOM 0 HD22 LEU A 81 -5.844 -0.662 4.621 1.00 52.12 H new ATOM 0 HD23 LEU A 81 -5.307 -0.512 2.931 1.00 52.12 H new ATOM 1271 N ALA A 82 -8.493 1.159 0.298 1.00 25.55 N ATOM 1272 CA ALA A 82 -8.194 2.158 -0.714 1.00 3.24 C ATOM 1273 C ALA A 82 -9.359 2.259 -1.684 1.00 74.22 C ATOM 1274 O ALA A 82 -9.218 2.012 -2.884 1.00 44.34 O ATOM 1275 CB ALA A 82 -6.905 1.809 -1.443 1.00 41.54 C ATOM 0 H ALA A 82 -8.306 0.199 0.008 1.00 25.55 H new ATOM 0 HA ALA A 82 -8.051 3.126 -0.234 1.00 3.24 H new ATOM 0 HB1 ALA A 82 -6.697 2.568 -2.197 1.00 41.54 H new ATOM 0 HB2 ALA A 82 -6.082 1.771 -0.729 1.00 41.54 H new ATOM 0 HB3 ALA A 82 -7.012 0.837 -1.926 1.00 41.54 H new ATOM 1281 N ARG A 83 -10.513 2.617 -1.147 1.00 11.10 N ATOM 1282 CA ARG A 83 -11.757 2.604 -1.897 1.00 44.02 C ATOM 1283 C ARG A 83 -12.465 3.951 -1.765 1.00 11.33 C ATOM 1284 O ARG A 83 -12.243 4.674 -0.792 1.00 45.12 O ATOM 1285 CB ARG A 83 -12.633 1.464 -1.365 1.00 45.40 C ATOM 1286 CG ARG A 83 -13.894 1.196 -2.166 1.00 35.10 C ATOM 1287 CD ARG A 83 -14.592 -0.058 -1.663 1.00 5.53 C ATOM 1288 NE ARG A 83 -15.831 -0.338 -2.382 1.00 52.11 N ATOM 1289 CZ ARG A 83 -16.408 -1.539 -2.442 1.00 42.22 C ATOM 1290 NH1 ARG A 83 -15.842 -2.592 -1.853 1.00 33.13 N ATOM 1291 NH2 ARG A 83 -17.553 -1.681 -3.094 1.00 64.10 N ATOM 0 H ARG A 83 -10.614 2.925 -0.180 1.00 11.10 H new ATOM 0 HA ARG A 83 -11.558 2.440 -2.956 1.00 44.02 H new ATOM 0 HB2 ARG A 83 -12.038 0.551 -1.337 1.00 45.40 H new ATOM 0 HB3 ARG A 83 -12.915 1.692 -0.337 1.00 45.40 H new ATOM 0 HG2 ARG A 83 -14.568 2.049 -2.089 1.00 35.10 H new ATOM 0 HG3 ARG A 83 -13.644 1.081 -3.221 1.00 35.10 H new ATOM 0 HD2 ARG A 83 -13.918 -0.909 -1.763 1.00 5.53 H new ATOM 0 HD3 ARG A 83 -14.810 0.053 -0.601 1.00 5.53 H new ATOM 0 HE ARG A 83 -16.285 0.434 -2.870 1.00 52.11 H new ATOM 0 HH11 ARG A 83 -14.961 -2.483 -1.351 1.00 33.13 H new ATOM 0 HH12 ARG A 83 -16.290 -3.507 -1.904 1.00 33.13 H new ATOM 0 HH21 ARG A 83 -17.986 -0.875 -3.545 1.00 64.10 H new ATOM 0 HH22 ARG A 83 -18.001 -2.596 -3.145 1.00 64.10 H new ATOM 1305 N LEU A 84 -13.309 4.277 -2.749 1.00 53.40 N ATOM 1306 CA LEU A 84 -14.034 5.537 -2.784 1.00 33.30 C ATOM 1307 C LEU A 84 -13.074 6.716 -2.830 1.00 74.43 C ATOM 1308 O LEU A 84 -13.226 7.701 -2.101 1.00 33.53 O ATOM 1309 CB LEU A 84 -14.966 5.648 -1.588 1.00 12.44 C ATOM 1310 CG LEU A 84 -15.942 4.483 -1.407 1.00 61.12 C ATOM 1311 CD1 LEU A 84 -16.797 4.691 -0.166 1.00 63.31 C ATOM 1312 CD2 LEU A 84 -16.820 4.325 -2.640 1.00 1.43 C ATOM 0 H LEU A 84 -13.505 3.668 -3.543 1.00 53.40 H new ATOM 0 HA LEU A 84 -14.636 5.558 -3.693 1.00 33.30 H new ATOM 0 HB2 LEU A 84 -14.362 5.738 -0.685 1.00 12.44 H new ATOM 0 HB3 LEU A 84 -15.540 6.570 -1.680 1.00 12.44 H new ATOM 0 HG LEU A 84 -15.364 3.568 -1.277 1.00 61.12 H new ATOM 0 HD11 LEU A 84 -17.485 3.853 -0.053 1.00 63.31 H new ATOM 0 HD12 LEU A 84 -16.154 4.754 0.712 1.00 63.31 H new ATOM 0 HD13 LEU A 84 -17.365 5.616 -0.266 1.00 63.31 H new ATOM 0 HD21 LEU A 84 -17.507 3.492 -2.493 1.00 1.43 H new ATOM 0 HD22 LEU A 84 -17.389 5.241 -2.801 1.00 1.43 H new ATOM 0 HD23 LEU A 84 -16.193 4.129 -3.510 1.00 1.43 H new ATOM 1324 N GLU A 85 -12.102 6.610 -3.718 1.00 64.00 N ATOM 1325 CA GLU A 85 -11.060 7.613 -3.851 1.00 24.52 C ATOM 1326 C GLU A 85 -11.589 8.890 -4.492 1.00 63.05 C ATOM 1327 O GLU A 85 -12.644 8.894 -5.127 1.00 41.50 O ATOM 1328 CB GLU A 85 -9.911 7.085 -4.706 1.00 55.14 C ATOM 1329 CG GLU A 85 -9.304 5.784 -4.213 1.00 3.24 C ATOM 1330 CD GLU A 85 -8.228 5.274 -5.148 1.00 22.53 C ATOM 1331 OE1 GLU A 85 -7.127 5.864 -5.166 1.00 14.42 O ATOM 1332 OE2 GLU A 85 -8.480 4.291 -5.881 1.00 51.42 O ATOM 0 H GLU A 85 -12.012 5.828 -4.366 1.00 64.00 H new ATOM 0 HA GLU A 85 -10.707 7.838 -2.844 1.00 24.52 H new ATOM 0 HB2 GLU A 85 -10.270 6.940 -5.725 1.00 55.14 H new ATOM 0 HB3 GLU A 85 -9.129 7.843 -4.748 1.00 55.14 H new ATOM 0 HG2 GLU A 85 -8.881 5.934 -3.220 1.00 3.24 H new ATOM 0 HG3 GLU A 85 -10.087 5.032 -4.116 1.00 3.24 H new ATOM 1339 N HIS A 86 -10.839 9.965 -4.319 1.00 60.31 N ATOM 1340 CA HIS A 86 -11.113 11.221 -4.998 1.00 52.45 C ATOM 1341 C HIS A 86 -9.816 12.006 -5.170 1.00 3.14 C ATOM 1342 O HIS A 86 -9.429 12.806 -4.316 1.00 11.31 O ATOM 1343 CB HIS A 86 -12.185 12.054 -4.267 1.00 4.42 C ATOM 1344 CG HIS A 86 -11.869 12.392 -2.837 1.00 32.41 C ATOM 1345 ND1 HIS A 86 -11.581 13.673 -2.411 1.00 54.23 N ATOM 1346 CD2 HIS A 86 -11.813 11.612 -1.731 1.00 12.42 C ATOM 1347 CE1 HIS A 86 -11.360 13.664 -1.111 1.00 20.21 C ATOM 1348 NE2 HIS A 86 -11.495 12.427 -0.674 1.00 44.11 N ATOM 0 H HIS A 86 -10.025 9.992 -3.705 1.00 60.31 H new ATOM 0 HA HIS A 86 -11.521 10.994 -5.983 1.00 52.45 H new ATOM 0 HB2 HIS A 86 -12.338 12.982 -4.817 1.00 4.42 H new ATOM 0 HB3 HIS A 86 -13.128 11.508 -4.294 1.00 4.42 H new ATOM 0 HD2 HIS A 86 -11.986 10.547 -1.689 1.00 12.42 H new ATOM 0 HE1 HIS A 86 -11.111 14.524 -0.507 1.00 20.21 H new ATOM 0 HE2 HIS A 86 -11.381 12.125 0.294 1.00 44.11 H new ATOM 1357 N HIS A 87 -9.124 11.731 -6.261 1.00 61.03 N ATOM 1358 CA HIS A 87 -7.850 12.377 -6.544 1.00 13.42 C ATOM 1359 C HIS A 87 -8.078 13.735 -7.187 1.00 73.54 C ATOM 1360 O HIS A 87 -7.838 13.915 -8.383 1.00 33.41 O ATOM 1361 CB HIS A 87 -6.980 11.505 -7.454 1.00 50.34 C ATOM 1362 CG HIS A 87 -6.522 10.232 -6.814 1.00 42.21 C ATOM 1363 ND1 HIS A 87 -5.212 9.997 -6.453 1.00 32.42 N ATOM 1364 CD2 HIS A 87 -7.210 9.117 -6.474 1.00 35.34 C ATOM 1365 CE1 HIS A 87 -5.117 8.794 -5.916 1.00 24.30 C ATOM 1366 NE2 HIS A 87 -6.315 8.242 -5.917 1.00 0.13 N ATOM 0 H HIS A 87 -9.423 11.062 -6.970 1.00 61.03 H new ATOM 0 HA HIS A 87 -7.325 12.514 -5.599 1.00 13.42 H new ATOM 0 HB2 HIS A 87 -7.542 11.265 -8.357 1.00 50.34 H new ATOM 0 HB3 HIS A 87 -6.107 12.079 -7.765 1.00 50.34 H new ATOM 0 HD2 HIS A 87 -8.267 8.949 -6.615 1.00 35.34 H new ATOM 0 HE1 HIS A 87 -4.212 8.340 -5.540 1.00 24.30 H new ATOM 0 HE2 HIS A 87 -6.539 7.313 -5.560 1.00 0.13 H new ATOM 1375 N HIS A 88 -8.572 14.673 -6.383 1.00 15.14 N ATOM 1376 CA HIS A 88 -8.896 16.024 -6.844 1.00 12.34 C ATOM 1377 C HIS A 88 -9.997 15.988 -7.899 1.00 21.21 C ATOM 1378 O HIS A 88 -10.526 14.924 -8.223 1.00 64.44 O ATOM 1379 CB HIS A 88 -7.663 16.727 -7.432 1.00 54.44 C ATOM 1380 CG HIS A 88 -6.509 16.845 -6.490 1.00 23.40 C ATOM 1381 ND1 HIS A 88 -5.342 16.130 -6.642 1.00 31.33 N ATOM 1382 CD2 HIS A 88 -6.337 17.612 -5.392 1.00 40.03 C ATOM 1383 CE1 HIS A 88 -4.504 16.451 -5.678 1.00 63.24 C ATOM 1384 NE2 HIS A 88 -5.082 17.350 -4.905 1.00 75.04 N ATOM 0 H HIS A 88 -8.760 14.520 -5.392 1.00 15.14 H new ATOM 0 HA HIS A 88 -9.242 16.584 -5.975 1.00 12.34 H new ATOM 0 HB2 HIS A 88 -7.338 16.182 -8.318 1.00 54.44 H new ATOM 0 HB3 HIS A 88 -7.952 17.726 -7.760 1.00 54.44 H new ATOM 0 HD2 HIS A 88 -7.054 18.303 -4.975 1.00 40.03 H new ATOM 0 HE1 HIS A 88 -3.512 16.047 -5.543 1.00 63.24 H new ATOM 0 HE2 HIS A 88 -4.664 17.780 -4.080 1.00 75.04 H new ATOM 1393 N HIS A 89 -10.348 17.166 -8.409 1.00 75.55 N ATOM 1394 CA HIS A 89 -11.241 17.292 -9.562 1.00 65.23 C ATOM 1395 C HIS A 89 -12.611 16.679 -9.284 1.00 44.24 C ATOM 1396 O HIS A 89 -13.289 16.210 -10.200 1.00 53.44 O ATOM 1397 CB HIS A 89 -10.605 16.635 -10.796 1.00 22.54 C ATOM 1398 CG HIS A 89 -9.239 17.160 -11.115 1.00 5.12 C ATOM 1399 ND1 HIS A 89 -8.211 16.359 -11.565 1.00 0.43 N ATOM 1400 CD2 HIS A 89 -8.728 18.411 -11.031 1.00 21.34 C ATOM 1401 CE1 HIS A 89 -7.128 17.094 -11.739 1.00 23.30 C ATOM 1402 NE2 HIS A 89 -7.413 18.343 -11.422 1.00 52.41 N ATOM 0 H HIS A 89 -10.023 18.059 -8.037 1.00 75.55 H new ATOM 0 HA HIS A 89 -11.388 18.355 -9.755 1.00 65.23 H new ATOM 0 HB2 HIS A 89 -10.543 15.559 -10.634 1.00 22.54 H new ATOM 0 HB3 HIS A 89 -11.256 16.791 -11.657 1.00 22.54 H new ATOM 0 HD2 HIS A 89 -9.257 19.298 -10.715 1.00 21.34 H new ATOM 0 HE1 HIS A 89 -6.170 16.734 -12.083 1.00 23.30 H new ATOM 0 HE2 HIS A 89 -6.764 19.129 -11.461 1.00 52.41 H new ATOM 1411 N HIS A 90 -13.029 16.701 -8.020 1.00 43.21 N ATOM 1412 CA HIS A 90 -14.336 16.178 -7.649 1.00 60.01 C ATOM 1413 C HIS A 90 -15.426 17.126 -8.132 1.00 4.40 C ATOM 1414 O HIS A 90 -15.812 18.068 -7.435 1.00 2.42 O ATOM 1415 CB HIS A 90 -14.438 15.958 -6.135 1.00 75.23 C ATOM 1416 CG HIS A 90 -15.755 15.384 -5.688 1.00 73.25 C ATOM 1417 ND1 HIS A 90 -16.335 15.680 -4.472 1.00 14.24 N ATOM 1418 CD2 HIS A 90 -16.606 14.529 -6.306 1.00 2.02 C ATOM 1419 CE1 HIS A 90 -17.482 15.032 -4.364 1.00 32.52 C ATOM 1420 NE2 HIS A 90 -17.668 14.330 -5.463 1.00 20.05 N ATOM 0 H HIS A 90 -12.484 17.073 -7.242 1.00 43.21 H new ATOM 0 HA HIS A 90 -14.470 15.209 -8.129 1.00 60.01 H new ATOM 0 HB2 HIS A 90 -13.636 15.290 -5.820 1.00 75.23 H new ATOM 0 HB3 HIS A 90 -14.277 16.909 -5.628 1.00 75.23 H new ATOM 0 HD2 HIS A 90 -16.472 14.087 -7.282 1.00 2.02 H new ATOM 0 HE1 HIS A 90 -18.153 15.071 -3.518 1.00 32.52 H new ATOM 0 HE2 HIS A 90 -18.473 13.734 -5.656 1.00 20.05 H new ATOM 1429 N HIS A 91 -15.879 16.885 -9.345 1.00 33.31 N ATOM 1430 CA HIS A 91 -16.906 17.702 -9.964 1.00 33.03 C ATOM 1431 C HIS A 91 -18.291 17.218 -9.566 1.00 52.30 C ATOM 1432 O HIS A 91 -19.117 18.059 -9.162 1.00 37.26 O ATOM 1433 CB HIS A 91 -16.748 17.710 -11.493 1.00 73.32 C ATOM 1434 CG HIS A 91 -16.659 16.346 -12.116 1.00 72.44 C ATOM 1435 ND1 HIS A 91 -15.461 15.725 -12.396 1.00 74.03 N ATOM 1436 CD2 HIS A 91 -17.625 15.482 -12.513 1.00 35.32 C ATOM 1437 CE1 HIS A 91 -15.692 14.543 -12.933 1.00 14.32 C ATOM 1438 NE2 HIS A 91 -16.996 14.369 -13.017 1.00 30.11 N ATOM 1439 OXT HIS A 91 -18.535 15.993 -9.617 1.00 37.26 O ATOM 0 H HIS A 91 -15.547 16.118 -9.930 1.00 33.31 H new ATOM 0 HA HIS A 91 -16.789 18.725 -9.606 1.00 33.03 H new ATOM 0 HB2 HIS A 91 -17.593 18.241 -11.930 1.00 73.32 H new ATOM 0 HB3 HIS A 91 -15.851 18.273 -11.750 1.00 73.32 H new ATOM 0 HD1 HIS A 91 -14.538 16.119 -12.216 1.00 74.03 H new ATOM 0 HD2 HIS A 91 -18.691 15.639 -12.446 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -14.939 13.836 -13.251 1.00 14.32 H new TER 1448 HIS A 91