USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl -150:sc= -4.02! (180deg=-3!) USER MOD Set 1.2: A 21 MET CE :methyl -179:sc= -3.54! (180deg=-3.2!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= -0.0124 (180deg=-0.592) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -100:sc=-0.00162 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.561 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.045 K(o=-0.045,f=-1.8) USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.585 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.15) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 66:sc= 0.264 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.36 F(o=-1.1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 3.205 -1.005 -1.248 1.00 63.14 C ATOM 4 O GLY A 1 4.378 -0.651 -1.129 1.00 43.34 O ATOM 0 H1 GLY A 1 0.316 0.118 -0.199 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.483 -0.902 0.494 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.659 0.784 0.600 1.00 13.00 H new ATOM 0 HA2 GLY A 1 1.392 -0.221 -2.070 1.00 45.03 H new ATOM 0 HA3 GLY A 1 2.474 0.998 -1.426 1.00 45.03 H new ATOM 8 N PRO A 2 2.858 -2.294 -1.384 1.00 1.42 N ATOM 9 CA PRO A 2 3.841 -3.381 -1.402 1.00 3.32 C ATOM 10 C PRO A 2 4.689 -3.374 -2.669 1.00 63.41 C ATOM 11 O PRO A 2 4.343 -2.725 -3.657 1.00 1.01 O ATOM 12 CB PRO A 2 2.976 -4.642 -1.343 1.00 64.34 C ATOM 13 CG PRO A 2 1.665 -4.229 -1.917 1.00 61.44 C ATOM 14 CD PRO A 2 1.479 -2.788 -1.530 1.00 71.44 C ATOM 0 HA PRO A 2 4.555 -3.299 -0.582 1.00 3.32 H new ATOM 0 HB2 PRO A 2 3.421 -5.455 -1.917 1.00 64.34 H new ATOM 0 HB3 PRO A 2 2.865 -4.999 -0.319 1.00 64.34 H new ATOM 0 HG2 PRO A 2 1.659 -4.346 -3.001 1.00 61.44 H new ATOM 0 HG3 PRO A 2 0.856 -4.846 -1.526 1.00 61.44 H new ATOM 0 HD2 PRO A 2 0.932 -2.234 -2.293 1.00 71.44 H new ATOM 0 HD3 PRO A 2 0.917 -2.691 -0.601 1.00 71.44 H new ATOM 22 N LEU A 3 5.801 -4.101 -2.635 1.00 72.01 N ATOM 23 CA LEU A 3 6.699 -4.180 -3.782 1.00 51.20 C ATOM 24 C LEU A 3 6.506 -5.492 -4.536 1.00 12.32 C ATOM 25 O LEU A 3 6.155 -6.513 -3.946 1.00 11.42 O ATOM 26 CB LEU A 3 8.153 -4.050 -3.326 1.00 2.31 C ATOM 27 CG LEU A 3 8.968 -2.938 -3.989 1.00 33.32 C ATOM 28 CD1 LEU A 3 8.772 -1.622 -3.253 1.00 51.33 C ATOM 29 CD2 LEU A 3 10.442 -3.312 -4.034 1.00 21.01 C ATOM 0 H LEU A 3 6.102 -4.644 -1.826 1.00 72.01 H new ATOM 0 HA LEU A 3 6.461 -3.357 -4.456 1.00 51.20 H new ATOM 0 HB2 LEU A 3 8.162 -3.886 -2.248 1.00 2.31 H new ATOM 0 HB3 LEU A 3 8.656 -5.000 -3.508 1.00 2.31 H new ATOM 0 HG LEU A 3 8.614 -2.814 -5.012 1.00 33.32 H new ATOM 0 HD11 LEU A 3 9.359 -0.843 -3.739 1.00 51.33 H new ATOM 0 HD12 LEU A 3 7.717 -1.347 -3.273 1.00 51.33 H new ATOM 0 HD13 LEU A 3 9.099 -1.731 -2.219 1.00 51.33 H new ATOM 0 HD21 LEU A 3 11.007 -2.510 -4.509 1.00 21.01 H new ATOM 0 HD22 LEU A 3 10.810 -3.463 -3.019 1.00 21.01 H new ATOM 0 HD23 LEU A 3 10.567 -4.231 -4.606 1.00 21.01 H new ATOM 41 N GLY A 4 6.740 -5.457 -5.844 1.00 54.33 N ATOM 42 CA GLY A 4 6.588 -6.649 -6.657 1.00 63.31 C ATOM 43 C GLY A 4 5.183 -7.215 -6.600 1.00 62.31 C ATOM 44 O GLY A 4 4.238 -6.598 -7.091 1.00 31.41 O ATOM 0 H GLY A 4 7.032 -4.624 -6.355 1.00 54.33 H new ATOM 0 HA2 GLY A 4 6.840 -6.414 -7.691 1.00 63.31 H new ATOM 0 HA3 GLY A 4 7.296 -7.407 -6.321 1.00 63.31 H new ATOM 48 N SER A 5 5.045 -8.394 -6.001 1.00 4.31 N ATOM 49 CA SER A 5 3.746 -9.046 -5.887 1.00 2.14 C ATOM 50 C SER A 5 3.814 -10.228 -4.924 1.00 3.40 C ATOM 51 O SER A 5 4.813 -10.945 -4.875 1.00 40.43 O ATOM 52 CB SER A 5 3.267 -9.519 -7.260 1.00 71.41 C ATOM 53 OG SER A 5 2.071 -10.272 -7.152 1.00 1.15 O ATOM 0 H SER A 5 5.817 -8.917 -5.587 1.00 4.31 H new ATOM 0 HA SER A 5 3.036 -8.319 -5.493 1.00 2.14 H new ATOM 0 HB2 SER A 5 3.101 -8.658 -7.907 1.00 71.41 H new ATOM 0 HB3 SER A 5 4.041 -10.126 -7.729 1.00 71.41 H new ATOM 0 HG SER A 5 1.785 -10.561 -8.044 1.00 1.15 H new ATOM 59 N GLU A 6 2.744 -10.423 -4.160 1.00 1.11 N ATOM 60 CA GLU A 6 2.683 -11.517 -3.198 1.00 14.22 C ATOM 61 C GLU A 6 1.753 -12.622 -3.690 1.00 30.53 C ATOM 62 O GLU A 6 1.085 -12.476 -4.713 1.00 35.54 O ATOM 63 CB GLU A 6 2.207 -11.003 -1.837 1.00 54.14 C ATOM 64 CG GLU A 6 3.304 -10.955 -0.787 1.00 54.32 C ATOM 65 CD GLU A 6 3.793 -12.334 -0.391 1.00 62.11 C ATOM 66 OE1 GLU A 6 2.946 -13.229 -0.186 1.00 45.42 O ATOM 67 OE2 GLU A 6 5.024 -12.519 -0.286 1.00 50.44 O ATOM 0 H GLU A 6 1.909 -9.838 -4.188 1.00 1.11 H new ATOM 0 HA GLU A 6 3.686 -11.930 -3.092 1.00 14.22 H new ATOM 0 HB2 GLU A 6 1.790 -10.003 -1.961 1.00 54.14 H new ATOM 0 HB3 GLU A 6 1.400 -11.642 -1.478 1.00 54.14 H new ATOM 0 HG2 GLU A 6 4.142 -10.372 -1.169 1.00 54.32 H new ATOM 0 HG3 GLU A 6 2.933 -10.437 0.098 1.00 54.32 H new ATOM 74 N ALA A 7 1.717 -13.728 -2.954 1.00 22.44 N ATOM 75 CA ALA A 7 0.869 -14.858 -3.313 1.00 64.33 C ATOM 76 C ALA A 7 0.327 -15.555 -2.070 1.00 61.31 C ATOM 77 O ALA A 7 0.554 -15.106 -0.946 1.00 71.34 O ATOM 78 CB ALA A 7 1.642 -15.843 -4.178 1.00 73.34 C ATOM 0 H ALA A 7 2.266 -13.865 -2.105 1.00 22.44 H new ATOM 0 HA ALA A 7 0.021 -14.478 -3.883 1.00 64.33 H new ATOM 0 HB1 ALA A 7 0.997 -16.682 -4.439 1.00 73.34 H new ATOM 0 HB2 ALA A 7 1.975 -15.344 -5.088 1.00 73.34 H new ATOM 0 HB3 ALA A 7 2.508 -16.209 -3.627 1.00 73.34 H new ATOM 84 N ASP A 8 -0.390 -16.654 -2.279 1.00 54.50 N ATOM 85 CA ASP A 8 -0.965 -17.413 -1.175 1.00 11.04 C ATOM 86 C ASP A 8 -0.535 -18.875 -1.239 1.00 21.23 C ATOM 87 O ASP A 8 -0.117 -19.380 -2.281 1.00 43.40 O ATOM 88 CB ASP A 8 -2.491 -17.316 -1.201 1.00 13.15 C ATOM 89 CG ASP A 8 -3.041 -16.519 -0.033 1.00 64.44 C ATOM 90 OD1 ASP A 8 -2.325 -15.625 0.464 1.00 23.14 O ATOM 91 OD2 ASP A 8 -4.187 -16.790 0.382 1.00 42.44 O ATOM 0 H ASP A 8 -0.587 -17.039 -3.203 1.00 54.50 H new ATOM 0 HA ASP A 8 -0.598 -16.985 -0.242 1.00 11.04 H new ATOM 0 HB2 ASP A 8 -2.807 -16.851 -2.135 1.00 13.15 H new ATOM 0 HB3 ASP A 8 -2.916 -18.319 -1.185 1.00 13.15 H new ATOM 96 N PRO A 9 -0.638 -19.573 -0.098 1.00 71.20 N ATOM 97 CA PRO A 9 -0.264 -20.987 0.001 1.00 20.14 C ATOM 98 C PRO A 9 -1.226 -21.896 -0.756 1.00 43.15 C ATOM 99 O PRO A 9 -0.825 -22.928 -1.296 1.00 0.45 O ATOM 100 CB PRO A 9 -0.335 -21.268 1.504 1.00 32.04 C ATOM 101 CG PRO A 9 -1.302 -20.265 2.032 1.00 41.31 C ATOM 102 CD PRO A 9 -1.128 -19.036 1.182 1.00 35.14 C ATOM 0 HA PRO A 9 0.715 -21.181 -0.438 1.00 20.14 H new ATOM 0 HB2 PRO A 9 -0.673 -22.285 1.701 1.00 32.04 H new ATOM 0 HB3 PRO A 9 0.643 -21.160 1.973 1.00 32.04 H new ATOM 0 HG2 PRO A 9 -2.324 -20.639 1.973 1.00 41.31 H new ATOM 0 HG3 PRO A 9 -1.103 -20.046 3.081 1.00 41.31 H new ATOM 0 HD2 PRO A 9 -2.067 -18.497 1.058 1.00 35.14 H new ATOM 0 HD3 PRO A 9 -0.416 -18.339 1.624 1.00 35.14 H new ATOM 110 N ARG A 10 -2.496 -21.506 -0.794 1.00 44.21 N ATOM 111 CA ARG A 10 -3.514 -22.286 -1.486 1.00 34.33 C ATOM 112 C ARG A 10 -3.652 -21.836 -2.937 1.00 52.11 C ATOM 113 O ARG A 10 -4.603 -22.208 -3.626 1.00 62.24 O ATOM 114 CB ARG A 10 -4.860 -22.156 -0.770 1.00 52.01 C ATOM 115 CG ARG A 10 -4.767 -22.323 0.738 1.00 70.23 C ATOM 116 CD ARG A 10 -4.238 -23.698 1.114 1.00 63.30 C ATOM 117 NE ARG A 10 -4.660 -24.100 2.453 1.00 1.42 N ATOM 118 CZ ARG A 10 -4.423 -25.300 2.969 1.00 33.54 C ATOM 119 NH1 ARG A 10 -3.771 -26.213 2.262 1.00 2.33 N ATOM 120 NH2 ARG A 10 -4.839 -25.591 4.196 1.00 52.35 N ATOM 0 H ARG A 10 -2.844 -20.654 -0.354 1.00 44.21 H new ATOM 0 HA ARG A 10 -3.204 -23.331 -1.476 1.00 34.33 H new ATOM 0 HB2 ARG A 10 -5.288 -21.178 -0.993 1.00 52.01 H new ATOM 0 HB3 ARG A 10 -5.547 -22.903 -1.168 1.00 52.01 H new ATOM 0 HG2 ARG A 10 -4.113 -21.555 1.151 1.00 70.23 H new ATOM 0 HG3 ARG A 10 -5.751 -22.176 1.183 1.00 70.23 H new ATOM 0 HD2 ARG A 10 -4.588 -24.432 0.388 1.00 63.30 H new ATOM 0 HD3 ARG A 10 -3.149 -23.694 1.063 1.00 63.30 H new ATOM 0 HE ARG A 10 -5.165 -23.421 3.023 1.00 1.42 H new ATOM 0 HH11 ARG A 10 -3.450 -25.994 1.319 1.00 2.33 H new ATOM 0 HH12 ARG A 10 -3.590 -27.134 2.661 1.00 2.33 H new ATOM 0 HH21 ARG A 10 -5.341 -24.892 4.743 1.00 52.35 H new ATOM 0 HH22 ARG A 10 -4.656 -26.513 4.591 1.00 52.35 H new ATOM 134 N LEU A 11 -2.698 -21.033 -3.395 1.00 13.42 N ATOM 135 CA LEU A 11 -2.713 -20.530 -4.764 1.00 62.43 C ATOM 136 C LEU A 11 -1.463 -20.972 -5.520 1.00 34.14 C ATOM 137 O LEU A 11 -1.549 -21.472 -6.642 1.00 2.22 O ATOM 138 CB LEU A 11 -2.812 -19.004 -4.768 1.00 3.13 C ATOM 139 CG LEU A 11 -2.675 -18.325 -6.131 1.00 60.52 C ATOM 140 CD1 LEU A 11 -3.882 -18.633 -7.004 1.00 11.33 C ATOM 141 CD2 LEU A 11 -2.504 -16.823 -5.964 1.00 41.43 C ATOM 0 H LEU A 11 -1.904 -20.716 -2.838 1.00 13.42 H new ATOM 0 HA LEU A 11 -3.586 -20.945 -5.267 1.00 62.43 H new ATOM 0 HB2 LEU A 11 -3.773 -18.721 -4.339 1.00 3.13 H new ATOM 0 HB3 LEU A 11 -2.040 -18.608 -4.108 1.00 3.13 H new ATOM 0 HG LEU A 11 -1.786 -18.718 -6.624 1.00 60.52 H new ATOM 0 HD11 LEU A 11 -3.767 -18.142 -7.970 1.00 11.33 H new ATOM 0 HD12 LEU A 11 -3.959 -19.710 -7.152 1.00 11.33 H new ATOM 0 HD13 LEU A 11 -4.786 -18.268 -6.517 1.00 11.33 H new ATOM 0 HD21 LEU A 11 -2.408 -16.356 -6.944 1.00 41.43 H new ATOM 0 HD22 LEU A 11 -3.373 -16.413 -5.450 1.00 41.43 H new ATOM 0 HD23 LEU A 11 -1.608 -16.622 -5.377 1.00 41.43 H new ATOM 153 N ILE A 12 -0.305 -20.786 -4.896 1.00 61.40 N ATOM 154 CA ILE A 12 0.961 -21.169 -5.508 1.00 45.11 C ATOM 155 C ILE A 12 0.946 -22.633 -5.936 1.00 15.45 C ATOM 156 O ILE A 12 1.610 -23.015 -6.898 1.00 22.12 O ATOM 157 CB ILE A 12 2.143 -20.939 -4.548 1.00 22.14 C ATOM 158 CG1 ILE A 12 1.962 -21.767 -3.274 1.00 14.24 C ATOM 159 CG2 ILE A 12 2.273 -19.461 -4.211 1.00 53.04 C ATOM 160 CD1 ILE A 12 2.711 -23.081 -3.295 1.00 14.21 C ATOM 0 H ILE A 12 -0.217 -20.373 -3.968 1.00 61.40 H new ATOM 0 HA ILE A 12 1.089 -20.538 -6.387 1.00 45.11 H new ATOM 0 HB ILE A 12 3.060 -21.261 -5.041 1.00 22.14 H new ATOM 0 HG12 ILE A 12 2.298 -21.181 -2.419 1.00 14.24 H new ATOM 0 HG13 ILE A 12 0.900 -21.966 -3.127 1.00 14.24 H new ATOM 0 HG21 ILE A 12 3.113 -19.315 -3.532 1.00 53.04 H new ATOM 0 HG22 ILE A 12 2.443 -18.893 -5.126 1.00 53.04 H new ATOM 0 HG23 ILE A 12 1.356 -19.115 -3.734 1.00 53.04 H new ATOM 0 HD11 ILE A 12 2.537 -23.614 -2.360 1.00 14.21 H new ATOM 0 HD12 ILE A 12 2.359 -23.687 -4.130 1.00 14.21 H new ATOM 0 HD13 ILE A 12 3.778 -22.890 -3.410 1.00 14.21 H new ATOM 172 N GLU A 13 0.180 -23.446 -5.214 1.00 44.21 N ATOM 173 CA GLU A 13 0.077 -24.868 -5.520 1.00 43.20 C ATOM 174 C GLU A 13 -0.353 -25.083 -6.968 1.00 72.01 C ATOM 175 O GLU A 13 0.136 -25.987 -7.645 1.00 24.44 O ATOM 176 CB GLU A 13 -0.917 -25.545 -4.575 1.00 13.23 C ATOM 177 CG GLU A 13 -2.300 -24.916 -4.594 1.00 52.40 C ATOM 178 CD GLU A 13 -3.287 -25.701 -5.436 1.00 42.24 C ATOM 179 OE1 GLU A 13 -2.839 -26.440 -6.338 1.00 72.01 O ATOM 180 OE2 GLU A 13 -4.505 -25.576 -5.195 1.00 34.15 O ATOM 0 H GLU A 13 -0.377 -23.144 -4.415 1.00 44.21 H new ATOM 0 HA GLU A 13 1.061 -25.316 -5.381 1.00 43.20 H new ATOM 0 HB2 GLU A 13 -1.002 -26.598 -4.844 1.00 13.23 H new ATOM 0 HB3 GLU A 13 -0.524 -25.507 -3.559 1.00 13.23 H new ATOM 0 HG2 GLU A 13 -2.676 -24.844 -3.573 1.00 52.40 H new ATOM 0 HG3 GLU A 13 -2.227 -23.899 -4.980 1.00 52.40 H new ATOM 187 N SER A 14 -1.273 -24.245 -7.437 1.00 21.45 N ATOM 188 CA SER A 14 -1.773 -24.346 -8.802 1.00 55.15 C ATOM 189 C SER A 14 -0.740 -23.830 -9.799 1.00 50.41 C ATOM 190 O SER A 14 -0.379 -24.522 -10.752 1.00 11.11 O ATOM 191 CB SER A 14 -3.078 -23.560 -8.949 1.00 45.53 C ATOM 192 OG SER A 14 -4.125 -24.167 -8.214 1.00 32.33 O ATOM 0 H SER A 14 -1.687 -23.489 -6.891 1.00 21.45 H new ATOM 0 HA SER A 14 -1.964 -25.398 -9.016 1.00 55.15 H new ATOM 0 HB2 SER A 14 -2.931 -22.537 -8.602 1.00 45.53 H new ATOM 0 HB3 SER A 14 -3.355 -23.502 -10.002 1.00 45.53 H new ATOM 0 HG SER A 14 -4.688 -24.692 -8.820 1.00 32.33 H new ATOM 198 N LEU A 15 -0.268 -22.609 -9.573 1.00 5.15 N ATOM 199 CA LEU A 15 0.725 -21.998 -10.450 1.00 0.23 C ATOM 200 C LEU A 15 1.885 -22.954 -10.708 1.00 43.54 C ATOM 201 O LEU A 15 2.405 -23.027 -11.822 1.00 24.34 O ATOM 202 CB LEU A 15 1.247 -20.698 -9.834 1.00 62.33 C ATOM 203 CG LEU A 15 0.232 -19.562 -9.703 1.00 60.41 C ATOM 204 CD1 LEU A 15 0.214 -19.025 -8.281 1.00 14.43 C ATOM 205 CD2 LEU A 15 0.546 -18.449 -10.692 1.00 64.30 C ATOM 0 H LEU A 15 -0.557 -22.023 -8.790 1.00 5.15 H new ATOM 0 HA LEU A 15 0.244 -21.774 -11.402 1.00 0.23 H new ATOM 0 HB2 LEU A 15 1.641 -20.922 -8.843 1.00 62.33 H new ATOM 0 HB3 LEU A 15 2.083 -20.344 -10.437 1.00 62.33 H new ATOM 0 HG LEU A 15 -0.758 -19.956 -9.933 1.00 60.41 H new ATOM 0 HD11 LEU A 15 -0.514 -18.217 -8.206 1.00 14.43 H new ATOM 0 HD12 LEU A 15 -0.060 -19.825 -7.593 1.00 14.43 H new ATOM 0 HD13 LEU A 15 1.203 -18.647 -8.022 1.00 14.43 H new ATOM 0 HD21 LEU A 15 -0.187 -17.649 -10.584 1.00 64.30 H new ATOM 0 HD22 LEU A 15 1.543 -18.057 -10.494 1.00 64.30 H new ATOM 0 HD23 LEU A 15 0.507 -18.843 -11.708 1.00 64.30 H new ATOM 217 N SER A 16 2.285 -23.685 -9.673 1.00 74.21 N ATOM 218 CA SER A 16 3.385 -24.636 -9.788 1.00 15.33 C ATOM 219 C SER A 16 3.175 -25.568 -10.977 1.00 42.12 C ATOM 220 O SER A 16 4.131 -25.968 -11.641 1.00 2.12 O ATOM 221 CB SER A 16 3.516 -25.453 -8.501 1.00 70.54 C ATOM 222 OG SER A 16 4.663 -25.066 -7.765 1.00 42.45 O ATOM 0 H SER A 16 1.864 -23.637 -8.745 1.00 74.21 H new ATOM 0 HA SER A 16 4.305 -24.073 -9.948 1.00 15.33 H new ATOM 0 HB2 SER A 16 2.625 -25.318 -7.889 1.00 70.54 H new ATOM 0 HB3 SER A 16 3.577 -26.514 -8.745 1.00 70.54 H new ATOM 0 HG SER A 16 4.723 -25.602 -6.947 1.00 42.45 H new ATOM 228 N GLN A 17 1.918 -25.909 -11.239 1.00 74.04 N ATOM 229 CA GLN A 17 1.582 -26.795 -12.348 1.00 42.42 C ATOM 230 C GLN A 17 1.584 -26.036 -13.671 1.00 3.50 C ATOM 231 O GLN A 17 2.051 -26.545 -14.689 1.00 61.22 O ATOM 232 CB GLN A 17 0.214 -27.439 -12.118 1.00 51.42 C ATOM 233 CG GLN A 17 -0.006 -27.907 -10.689 1.00 4.13 C ATOM 234 CD GLN A 17 -0.557 -29.317 -10.615 1.00 21.13 C ATOM 235 OE1 GLN A 17 -0.276 -30.152 -11.475 1.00 50.23 O ATOM 236 NE2 GLN A 17 -1.347 -29.591 -9.583 1.00 2.20 N ATOM 0 H GLN A 17 1.115 -25.586 -10.699 1.00 74.04 H new ATOM 0 HA GLN A 17 2.340 -27.577 -12.397 1.00 42.42 H new ATOM 0 HB2 GLN A 17 -0.564 -26.722 -12.381 1.00 51.42 H new ATOM 0 HB3 GLN A 17 0.104 -28.289 -12.791 1.00 51.42 H new ATOM 0 HG2 GLN A 17 0.938 -27.861 -10.146 1.00 4.13 H new ATOM 0 HG3 GLN A 17 -0.694 -27.225 -10.189 1.00 4.13 H new ATOM 0 HE21 GLN A 17 -1.554 -28.869 -8.893 1.00 2.20 H new ATOM 0 HE22 GLN A 17 -1.747 -30.524 -9.480 1.00 2.20 H new ATOM 245 N MET A 18 1.059 -24.815 -13.648 1.00 1.11 N ATOM 246 CA MET A 18 1.001 -23.985 -14.846 1.00 25.50 C ATOM 247 C MET A 18 2.404 -23.638 -15.334 1.00 41.25 C ATOM 248 O MET A 18 2.742 -23.867 -16.496 1.00 64.14 O ATOM 249 CB MET A 18 0.213 -22.704 -14.568 1.00 25.04 C ATOM 250 CG MET A 18 -1.163 -22.954 -13.974 1.00 75.12 C ATOM 251 SD MET A 18 -2.491 -22.702 -15.169 1.00 24.54 S ATOM 252 CE MET A 18 -1.973 -23.800 -16.486 1.00 42.32 C ATOM 0 H MET A 18 0.668 -24.379 -12.813 1.00 1.11 H new ATOM 0 HA MET A 18 0.493 -24.552 -15.627 1.00 25.50 H new ATOM 0 HB2 MET A 18 0.786 -22.076 -13.886 1.00 25.04 H new ATOM 0 HB3 MET A 18 0.102 -22.146 -15.498 1.00 25.04 H new ATOM 0 HG2 MET A 18 -1.210 -23.974 -13.594 1.00 75.12 H new ATOM 0 HG3 MET A 18 -1.314 -22.289 -13.123 1.00 75.12 H new ATOM 0 HE1 MET A 18 -2.318 -23.408 -17.443 1.00 42.32 H new ATOM 0 HE2 MET A 18 -0.885 -23.871 -16.494 1.00 42.32 H new ATOM 0 HE3 MET A 18 -2.400 -24.790 -16.324 1.00 42.32 H new ATOM 262 N LEU A 19 3.216 -23.083 -14.441 1.00 62.33 N ATOM 263 CA LEU A 19 4.583 -22.704 -14.782 1.00 11.53 C ATOM 264 C LEU A 19 5.361 -23.898 -15.324 1.00 70.20 C ATOM 265 O LEU A 19 6.150 -23.765 -16.260 1.00 32.04 O ATOM 266 CB LEU A 19 5.295 -22.131 -13.555 1.00 32.22 C ATOM 267 CG LEU A 19 4.560 -21.014 -12.813 1.00 21.12 C ATOM 268 CD1 LEU A 19 5.067 -20.900 -11.383 1.00 55.24 C ATOM 269 CD2 LEU A 19 4.723 -19.690 -13.546 1.00 33.44 C ATOM 0 H LEU A 19 2.952 -22.885 -13.476 1.00 62.33 H new ATOM 0 HA LEU A 19 4.539 -21.941 -15.559 1.00 11.53 H new ATOM 0 HB2 LEU A 19 5.480 -22.945 -12.854 1.00 32.22 H new ATOM 0 HB3 LEU A 19 6.268 -21.753 -13.868 1.00 32.22 H new ATOM 0 HG LEU A 19 3.499 -21.261 -12.782 1.00 21.12 H new ATOM 0 HD11 LEU A 19 4.533 -20.100 -10.870 1.00 55.24 H new ATOM 0 HD12 LEU A 19 4.898 -21.842 -10.861 1.00 55.24 H new ATOM 0 HD13 LEU A 19 6.134 -20.676 -11.392 1.00 55.24 H new ATOM 0 HD21 LEU A 19 4.194 -18.906 -13.004 1.00 33.44 H new ATOM 0 HD22 LEU A 19 5.781 -19.437 -13.608 1.00 33.44 H new ATOM 0 HD23 LEU A 19 4.311 -19.778 -14.551 1.00 33.44 H new ATOM 281 N SER A 20 5.132 -25.066 -14.731 1.00 54.44 N ATOM 282 CA SER A 20 5.812 -26.284 -15.154 1.00 22.12 C ATOM 283 C SER A 20 5.241 -26.796 -16.473 1.00 4.30 C ATOM 284 O SER A 20 5.938 -27.444 -17.253 1.00 41.23 O ATOM 285 CB SER A 20 5.685 -27.364 -14.077 1.00 44.23 C ATOM 286 OG SER A 20 6.440 -28.514 -14.417 1.00 42.12 O ATOM 0 H SER A 20 4.481 -25.194 -13.956 1.00 54.44 H new ATOM 0 HA SER A 20 6.866 -26.049 -15.302 1.00 22.12 H new ATOM 0 HB2 SER A 20 6.028 -26.970 -13.120 1.00 44.23 H new ATOM 0 HB3 SER A 20 4.637 -27.637 -13.953 1.00 44.23 H new ATOM 0 HG SER A 20 6.344 -29.189 -13.713 1.00 42.12 H new ATOM 292 N MET A 21 3.969 -26.499 -16.714 1.00 74.13 N ATOM 293 CA MET A 21 3.303 -26.928 -17.939 1.00 45.43 C ATOM 294 C MET A 21 3.693 -26.032 -19.111 1.00 63.53 C ATOM 295 O MET A 21 3.648 -26.452 -20.267 1.00 0.20 O ATOM 296 CB MET A 21 1.785 -26.911 -17.753 1.00 61.30 C ATOM 297 CG MET A 21 1.190 -28.286 -17.495 1.00 53.02 C ATOM 298 SD MET A 21 -0.603 -28.242 -17.303 1.00 44.23 S ATOM 299 CE MET A 21 -0.774 -27.021 -16.004 1.00 0.10 C ATOM 0 H MET A 21 3.378 -25.963 -16.078 1.00 74.13 H new ATOM 0 HA MET A 21 3.623 -27.946 -18.160 1.00 45.43 H new ATOM 0 HB2 MET A 21 1.536 -26.254 -16.919 1.00 61.30 H new ATOM 0 HB3 MET A 21 1.323 -26.485 -18.643 1.00 61.30 H new ATOM 0 HG2 MET A 21 1.447 -28.950 -18.321 1.00 53.02 H new ATOM 0 HG3 MET A 21 1.638 -28.708 -16.595 1.00 53.02 H new ATOM 0 HE1 MET A 21 -1.829 -26.895 -15.760 1.00 0.10 H new ATOM 0 HE2 MET A 21 -0.233 -27.354 -15.118 1.00 0.10 H new ATOM 0 HE3 MET A 21 -0.364 -26.070 -16.343 1.00 0.10 H new ATOM 309 N GLY A 22 4.076 -24.797 -18.805 1.00 2.52 N ATOM 310 CA GLY A 22 4.468 -23.862 -19.844 1.00 33.12 C ATOM 311 C GLY A 22 3.673 -22.572 -19.793 1.00 23.21 C ATOM 312 O GLY A 22 3.161 -22.109 -20.812 1.00 63.14 O ATOM 0 H GLY A 22 4.122 -24.426 -17.856 1.00 2.52 H new ATOM 0 HA2 GLY A 22 5.529 -23.635 -19.743 1.00 33.12 H new ATOM 0 HA3 GLY A 22 4.333 -24.330 -20.819 1.00 33.12 H new ATOM 316 N PHE A 23 3.568 -21.990 -18.603 1.00 21.53 N ATOM 317 CA PHE A 23 2.828 -20.747 -18.422 1.00 74.31 C ATOM 318 C PHE A 23 3.588 -19.789 -17.509 1.00 75.33 C ATOM 319 O PHE A 23 4.713 -20.070 -17.096 1.00 14.30 O ATOM 320 CB PHE A 23 1.442 -21.034 -17.839 1.00 63.02 C ATOM 321 CG PHE A 23 0.534 -21.766 -18.785 1.00 71.30 C ATOM 322 CD1 PHE A 23 -0.281 -21.070 -19.663 1.00 1.41 C ATOM 323 CD2 PHE A 23 0.495 -23.151 -18.797 1.00 21.24 C ATOM 324 CE1 PHE A 23 -1.118 -21.741 -20.534 1.00 33.14 C ATOM 325 CE2 PHE A 23 -0.340 -23.828 -19.665 1.00 70.35 C ATOM 326 CZ PHE A 23 -1.147 -23.122 -20.536 1.00 20.12 C ATOM 0 H PHE A 23 3.986 -22.360 -17.749 1.00 21.53 H new ATOM 0 HA PHE A 23 2.714 -20.276 -19.398 1.00 74.31 H new ATOM 0 HB2 PHE A 23 1.554 -21.622 -16.928 1.00 63.02 H new ATOM 0 HB3 PHE A 23 0.974 -20.092 -17.555 1.00 63.02 H new ATOM 0 HD1 PHE A 23 -0.262 -19.990 -19.667 1.00 1.41 H new ATOM 0 HD2 PHE A 23 1.125 -23.708 -18.120 1.00 21.24 H new ATOM 0 HE1 PHE A 23 -1.749 -21.186 -21.213 1.00 33.14 H new ATOM 0 HE2 PHE A 23 -0.362 -24.908 -19.663 1.00 70.35 H new ATOM 0 HZ PHE A 23 -1.799 -23.649 -21.217 1.00 20.12 H new ATOM 336 N SER A 24 2.964 -18.657 -17.199 1.00 42.15 N ATOM 337 CA SER A 24 3.582 -17.655 -16.339 1.00 43.45 C ATOM 338 C SER A 24 2.525 -16.758 -15.703 1.00 34.22 C ATOM 339 O SER A 24 1.328 -17.039 -15.781 1.00 44.21 O ATOM 340 CB SER A 24 4.572 -16.806 -17.140 1.00 1.23 C ATOM 341 OG SER A 24 5.094 -17.532 -18.239 1.00 52.43 O ATOM 0 H SER A 24 2.031 -18.411 -17.531 1.00 42.15 H new ATOM 0 HA SER A 24 4.118 -18.175 -15.545 1.00 43.45 H new ATOM 0 HB2 SER A 24 4.076 -15.904 -17.499 1.00 1.23 H new ATOM 0 HB3 SER A 24 5.388 -16.485 -16.492 1.00 1.23 H new ATOM 0 HG SER A 24 5.723 -16.967 -18.735 1.00 52.43 H new ATOM 347 N ASP A 25 2.975 -15.679 -15.073 1.00 13.22 N ATOM 348 CA ASP A 25 2.068 -14.739 -14.423 1.00 23.32 C ATOM 349 C ASP A 25 2.321 -13.316 -14.909 1.00 2.42 C ATOM 350 O ASP A 25 2.058 -12.350 -14.193 1.00 4.11 O ATOM 351 CB ASP A 25 2.230 -14.809 -12.904 1.00 24.35 C ATOM 352 CG ASP A 25 3.523 -14.175 -12.430 1.00 25.45 C ATOM 353 OD1 ASP A 25 4.591 -14.533 -12.969 1.00 4.40 O ATOM 354 OD2 ASP A 25 3.468 -13.323 -11.518 1.00 54.25 O ATOM 0 H ASP A 25 3.962 -15.433 -14.998 1.00 13.22 H new ATOM 0 HA ASP A 25 1.047 -15.017 -14.685 1.00 23.32 H new ATOM 0 HB2 ASP A 25 1.387 -14.308 -12.428 1.00 24.35 H new ATOM 0 HB3 ASP A 25 2.202 -15.851 -12.586 1.00 24.35 H new ATOM 359 N GLU A 26 2.834 -13.195 -16.129 1.00 51.53 N ATOM 360 CA GLU A 26 3.124 -11.888 -16.709 1.00 60.42 C ATOM 361 C GLU A 26 1.882 -11.002 -16.701 1.00 41.42 C ATOM 362 O GLU A 26 0.891 -11.297 -17.368 1.00 1.43 O ATOM 363 CB GLU A 26 3.643 -12.045 -18.140 1.00 41.10 C ATOM 364 CG GLU A 26 4.819 -12.999 -18.260 1.00 24.22 C ATOM 365 CD GLU A 26 6.096 -12.301 -18.687 1.00 31.11 C ATOM 366 OE1 GLU A 26 6.188 -11.902 -19.866 1.00 45.04 O ATOM 367 OE2 GLU A 26 7.002 -12.154 -17.841 1.00 5.34 O ATOM 0 H GLU A 26 3.057 -13.985 -16.735 1.00 51.53 H new ATOM 0 HA GLU A 26 3.893 -11.411 -16.101 1.00 60.42 H new ATOM 0 HB2 GLU A 26 2.831 -12.401 -18.775 1.00 41.10 H new ATOM 0 HB3 GLU A 26 3.939 -11.067 -18.519 1.00 41.10 H new ATOM 0 HG2 GLU A 26 4.982 -13.491 -17.301 1.00 24.22 H new ATOM 0 HG3 GLU A 26 4.577 -13.779 -18.982 1.00 24.22 H new ATOM 374 N GLY A 27 1.944 -9.913 -15.940 1.00 43.13 N ATOM 375 CA GLY A 27 0.819 -9.000 -15.858 1.00 42.04 C ATOM 376 C GLY A 27 -0.107 -9.323 -14.703 1.00 23.15 C ATOM 377 O GLY A 27 -0.647 -8.423 -14.061 1.00 31.43 O ATOM 0 H GLY A 27 2.753 -9.647 -15.379 1.00 43.13 H new ATOM 0 HA2 GLY A 27 1.190 -7.981 -15.748 1.00 42.04 H new ATOM 0 HA3 GLY A 27 0.257 -9.036 -16.791 1.00 42.04 H new ATOM 381 N GLY A 28 -0.292 -10.613 -14.437 1.00 40.21 N ATOM 382 CA GLY A 28 -1.161 -11.030 -13.352 1.00 40.51 C ATOM 383 C GLY A 28 -2.405 -11.741 -13.846 1.00 41.03 C ATOM 384 O GLY A 28 -3.508 -11.481 -13.367 1.00 14.14 O ATOM 0 H GLY A 28 0.145 -11.376 -14.954 1.00 40.21 H new ATOM 0 HA2 GLY A 28 -0.610 -11.691 -12.683 1.00 40.51 H new ATOM 0 HA3 GLY A 28 -1.453 -10.157 -12.768 1.00 40.51 H new ATOM 388 N TRP A 29 -2.228 -12.639 -14.808 1.00 63.41 N ATOM 389 CA TRP A 29 -3.346 -13.389 -15.369 1.00 30.33 C ATOM 390 C TRP A 29 -3.499 -14.739 -14.676 1.00 4.34 C ATOM 391 O TRP A 29 -4.566 -15.353 -14.719 1.00 4.24 O ATOM 392 CB TRP A 29 -3.148 -13.593 -16.872 1.00 25.45 C ATOM 393 CG TRP A 29 -2.131 -14.645 -17.199 1.00 35.51 C ATOM 394 CD1 TRP A 29 -0.780 -14.476 -17.304 1.00 14.41 C ATOM 395 CD2 TRP A 29 -2.386 -16.029 -17.466 1.00 2.12 C ATOM 396 NE1 TRP A 29 -0.180 -15.670 -17.620 1.00 64.20 N ATOM 397 CE2 TRP A 29 -1.143 -16.639 -17.724 1.00 44.21 C ATOM 398 CE3 TRP A 29 -3.542 -16.812 -17.510 1.00 32.22 C ATOM 399 CZ2 TRP A 29 -1.026 -17.994 -18.023 1.00 12.34 C ATOM 400 CZ3 TRP A 29 -3.425 -18.157 -17.807 1.00 11.24 C ATOM 401 CH2 TRP A 29 -2.175 -18.737 -18.059 1.00 42.21 C ATOM 0 H TRP A 29 -1.321 -12.866 -15.216 1.00 63.41 H new ATOM 0 HA TRP A 29 -4.256 -12.812 -15.205 1.00 30.33 H new ATOM 0 HB2 TRP A 29 -4.102 -13.867 -17.323 1.00 25.45 H new ATOM 0 HB3 TRP A 29 -2.842 -12.649 -17.322 1.00 25.45 H new ATOM 0 HD1 TRP A 29 -0.260 -13.541 -17.160 1.00 14.41 H new ATOM 0 HE1 TRP A 29 0.821 -15.813 -17.755 1.00 64.20 H new ATOM 0 HE3 TRP A 29 -4.510 -16.374 -17.315 1.00 32.22 H new ATOM 0 HZ2 TRP A 29 -0.063 -18.442 -18.219 1.00 12.34 H new ATOM 0 HZ3 TRP A 29 -4.313 -18.771 -17.845 1.00 11.24 H new ATOM 0 HH2 TRP A 29 -2.117 -19.791 -18.286 1.00 42.21 H new ATOM 412 N LEU A 30 -2.427 -15.195 -14.037 1.00 60.41 N ATOM 413 CA LEU A 30 -2.442 -16.473 -13.334 1.00 33.42 C ATOM 414 C LEU A 30 -2.462 -16.263 -11.823 1.00 64.41 C ATOM 415 O LEU A 30 -2.504 -17.223 -11.052 1.00 12.41 O ATOM 416 CB LEU A 30 -1.224 -17.310 -13.728 1.00 42.24 C ATOM 417 CG LEU A 30 -1.321 -18.810 -13.451 1.00 75.42 C ATOM 418 CD1 LEU A 30 -2.417 -19.440 -14.298 1.00 44.54 C ATOM 419 CD2 LEU A 30 0.015 -19.489 -13.714 1.00 31.22 C ATOM 0 H LEU A 30 -1.537 -14.699 -13.991 1.00 60.41 H new ATOM 0 HA LEU A 30 -3.349 -17.006 -13.621 1.00 33.42 H new ATOM 0 HB2 LEU A 30 -1.041 -17.169 -14.793 1.00 42.24 H new ATOM 0 HB3 LEU A 30 -0.354 -16.919 -13.200 1.00 42.24 H new ATOM 0 HG LEU A 30 -1.576 -18.950 -12.401 1.00 75.42 H new ATOM 0 HD11 LEU A 30 -2.471 -20.508 -14.087 1.00 44.54 H new ATOM 0 HD12 LEU A 30 -3.373 -18.974 -14.060 1.00 44.54 H new ATOM 0 HD13 LEU A 30 -2.193 -19.290 -15.354 1.00 44.54 H new ATOM 0 HD21 LEU A 30 -0.073 -20.556 -13.511 1.00 31.22 H new ATOM 0 HD22 LEU A 30 0.300 -19.340 -14.755 1.00 31.22 H new ATOM 0 HD23 LEU A 30 0.776 -19.058 -13.064 1.00 31.22 H new ATOM 431 N THR A 31 -2.432 -15.001 -11.406 1.00 20.43 N ATOM 432 CA THR A 31 -2.447 -14.665 -9.988 1.00 10.22 C ATOM 433 C THR A 31 -3.874 -14.515 -9.473 1.00 72.43 C ATOM 434 O THR A 31 -4.121 -14.591 -8.270 1.00 12.04 O ATOM 435 CB THR A 31 -1.675 -13.361 -9.712 1.00 2.03 C ATOM 436 OG1 THR A 31 -1.656 -13.091 -8.305 1.00 61.25 O ATOM 437 CG2 THR A 31 -2.308 -12.191 -10.449 1.00 44.33 C ATOM 0 H THR A 31 -2.397 -14.195 -12.030 1.00 20.43 H new ATOM 0 HA THR A 31 -1.959 -15.486 -9.464 1.00 10.22 H new ATOM 0 HB THR A 31 -0.654 -13.487 -10.071 1.00 2.03 H new ATOM 0 HG1 THR A 31 -1.162 -12.261 -8.138 1.00 61.25 H new ATOM 0 HG21 THR A 31 -1.746 -11.281 -10.239 1.00 44.33 H new ATOM 0 HG22 THR A 31 -2.295 -12.386 -11.521 1.00 44.33 H new ATOM 0 HG23 THR A 31 -3.338 -12.066 -10.116 1.00 44.33 H new ATOM 445 N ARG A 32 -4.810 -14.304 -10.392 1.00 55.24 N ATOM 446 CA ARG A 32 -6.214 -14.143 -10.031 1.00 23.42 C ATOM 447 C ARG A 32 -7.070 -15.226 -10.682 1.00 11.33 C ATOM 448 O ARG A 32 -8.114 -15.608 -10.152 1.00 72.51 O ATOM 449 CB ARG A 32 -6.715 -12.760 -10.450 1.00 35.32 C ATOM 450 CG ARG A 32 -5.888 -11.616 -9.888 1.00 22.13 C ATOM 451 CD ARG A 32 -6.552 -10.994 -8.670 1.00 13.42 C ATOM 452 NE ARG A 32 -6.990 -9.624 -8.925 1.00 40.13 N ATOM 453 CZ ARG A 32 -7.639 -8.882 -8.035 1.00 42.40 C ATOM 454 NH1 ARG A 32 -7.923 -9.374 -6.837 1.00 73.35 N ATOM 455 NH2 ARG A 32 -8.004 -7.643 -8.342 1.00 21.31 N ATOM 0 H ARG A 32 -4.622 -14.240 -11.393 1.00 55.24 H new ATOM 0 HA ARG A 32 -6.299 -14.239 -8.949 1.00 23.42 H new ATOM 0 HB2 ARG A 32 -6.714 -12.697 -11.538 1.00 35.32 H new ATOM 0 HB3 ARG A 32 -7.749 -12.644 -10.125 1.00 35.32 H new ATOM 0 HG2 ARG A 32 -4.897 -11.981 -9.617 1.00 22.13 H new ATOM 0 HG3 ARG A 32 -5.748 -10.855 -10.656 1.00 22.13 H new ATOM 0 HD2 ARG A 32 -7.409 -11.600 -8.376 1.00 13.42 H new ATOM 0 HD3 ARG A 32 -5.854 -11.001 -7.833 1.00 13.42 H new ATOM 0 HE ARG A 32 -6.786 -9.215 -9.837 1.00 40.13 H new ATOM 0 HH11 ARG A 32 -7.643 -10.325 -6.597 1.00 73.35 H new ATOM 0 HH12 ARG A 32 -8.422 -8.802 -6.156 1.00 73.35 H new ATOM 0 HH21 ARG A 32 -7.786 -7.260 -9.262 1.00 21.31 H new ATOM 0 HH22 ARG A 32 -8.502 -7.074 -7.658 1.00 21.31 H new ATOM 469 N LEU A 33 -6.622 -15.715 -11.833 1.00 0.53 N ATOM 470 CA LEU A 33 -7.347 -16.753 -12.557 1.00 51.30 C ATOM 471 C LEU A 33 -7.672 -17.929 -11.642 1.00 70.22 C ATOM 472 O LEU A 33 -8.838 -18.276 -11.449 1.00 12.31 O ATOM 473 CB LEU A 33 -6.526 -17.235 -13.755 1.00 13.35 C ATOM 474 CG LEU A 33 -6.920 -18.593 -14.335 1.00 73.41 C ATOM 475 CD1 LEU A 33 -8.346 -18.555 -14.863 1.00 61.13 C ATOM 476 CD2 LEU A 33 -5.953 -19.004 -15.435 1.00 43.15 C ATOM 0 H LEU A 33 -5.760 -15.409 -12.285 1.00 0.53 H new ATOM 0 HA LEU A 33 -8.284 -16.326 -12.915 1.00 51.30 H new ATOM 0 HB2 LEU A 33 -6.602 -16.489 -14.546 1.00 13.35 H new ATOM 0 HB3 LEU A 33 -5.478 -17.279 -13.458 1.00 13.35 H new ATOM 0 HG LEU A 33 -6.869 -19.335 -13.538 1.00 73.41 H new ATOM 0 HD11 LEU A 33 -8.609 -19.531 -15.272 1.00 61.13 H new ATOM 0 HD12 LEU A 33 -9.028 -18.307 -14.050 1.00 61.13 H new ATOM 0 HD13 LEU A 33 -8.424 -17.800 -15.646 1.00 61.13 H new ATOM 0 HD21 LEU A 33 -6.249 -19.973 -15.836 1.00 43.15 H new ATOM 0 HD22 LEU A 33 -5.971 -18.260 -16.232 1.00 43.15 H new ATOM 0 HD23 LEU A 33 -4.945 -19.073 -15.026 1.00 43.15 H new ATOM 488 N LEU A 34 -6.634 -18.539 -11.080 1.00 13.43 N ATOM 489 CA LEU A 34 -6.809 -19.675 -10.182 1.00 61.53 C ATOM 490 C LEU A 34 -7.812 -19.350 -9.080 1.00 4.01 C ATOM 491 O LEU A 34 -8.715 -20.137 -8.799 1.00 12.45 O ATOM 492 CB LEU A 34 -5.467 -20.074 -9.566 1.00 31.34 C ATOM 493 CG LEU A 34 -4.528 -20.879 -10.465 1.00 20.24 C ATOM 494 CD1 LEU A 34 -5.247 -22.090 -11.039 1.00 64.12 C ATOM 495 CD2 LEU A 34 -3.978 -20.004 -11.581 1.00 51.41 C ATOM 0 H LEU A 34 -5.663 -18.266 -11.230 1.00 13.43 H new ATOM 0 HA LEU A 34 -7.197 -20.511 -10.764 1.00 61.53 H new ATOM 0 HB2 LEU A 34 -4.949 -19.167 -9.254 1.00 31.34 H new ATOM 0 HB3 LEU A 34 -5.662 -20.656 -8.665 1.00 31.34 H new ATOM 0 HG LEU A 34 -3.691 -21.231 -9.862 1.00 20.24 H new ATOM 0 HD11 LEU A 34 -4.563 -22.651 -11.676 1.00 64.12 H new ATOM 0 HD12 LEU A 34 -5.591 -22.728 -10.225 1.00 64.12 H new ATOM 0 HD13 LEU A 34 -6.103 -21.760 -11.628 1.00 64.12 H new ATOM 0 HD21 LEU A 34 -3.312 -20.594 -12.211 1.00 51.41 H new ATOM 0 HD22 LEU A 34 -4.802 -19.621 -12.183 1.00 51.41 H new ATOM 0 HD23 LEU A 34 -3.425 -19.169 -11.150 1.00 51.41 H new ATOM 507 N GLN A 35 -7.646 -18.185 -8.461 1.00 60.25 N ATOM 508 CA GLN A 35 -8.538 -17.756 -7.391 1.00 1.40 C ATOM 509 C GLN A 35 -9.994 -17.802 -7.844 1.00 24.12 C ATOM 510 O GLN A 35 -10.898 -18.040 -7.042 1.00 64.20 O ATOM 511 CB GLN A 35 -8.178 -16.340 -6.936 1.00 30.43 C ATOM 512 CG GLN A 35 -6.909 -16.274 -6.101 1.00 50.14 C ATOM 513 CD GLN A 35 -6.500 -14.851 -5.774 1.00 65.42 C ATOM 514 OE1 GLN A 35 -6.805 -13.919 -6.518 1.00 2.42 O ATOM 515 NE2 GLN A 35 -5.804 -14.678 -4.656 1.00 51.44 N ATOM 0 H GLN A 35 -6.903 -17.522 -8.682 1.00 60.25 H new ATOM 0 HA GLN A 35 -8.416 -18.442 -6.553 1.00 1.40 H new ATOM 0 HB2 GLN A 35 -8.059 -15.704 -7.814 1.00 30.43 H new ATOM 0 HB3 GLN A 35 -9.006 -15.932 -6.357 1.00 30.43 H new ATOM 0 HG2 GLN A 35 -7.059 -16.827 -5.174 1.00 50.14 H new ATOM 0 HG3 GLN A 35 -6.099 -16.767 -6.638 1.00 50.14 H new ATOM 0 HE21 GLN A 35 -5.574 -15.480 -4.069 1.00 51.44 H new ATOM 0 HE22 GLN A 35 -5.500 -13.743 -4.384 1.00 51.44 H new ATOM 524 N THR A 36 -10.214 -17.573 -9.135 1.00 14.35 N ATOM 525 CA THR A 36 -11.560 -17.587 -9.694 1.00 51.20 C ATOM 526 C THR A 36 -11.970 -18.996 -10.104 1.00 73.43 C ATOM 527 O THR A 36 -13.157 -19.296 -10.233 1.00 34.41 O ATOM 528 CB THR A 36 -11.670 -16.656 -10.916 1.00 70.15 C ATOM 529 OG1 THR A 36 -10.370 -16.190 -11.296 1.00 13.13 O ATOM 530 CG2 THR A 36 -12.572 -15.469 -10.614 1.00 22.05 C ATOM 0 H THR A 36 -9.478 -17.376 -9.813 1.00 14.35 H new ATOM 0 HA THR A 36 -12.231 -17.230 -8.913 1.00 51.20 H new ATOM 0 HB THR A 36 -12.107 -17.223 -11.738 1.00 70.15 H new ATOM 0 HG1 THR A 36 -9.875 -16.917 -11.728 1.00 13.13 H new ATOM 0 HG21 THR A 36 -12.634 -14.826 -11.492 1.00 22.05 H new ATOM 0 HG22 THR A 36 -13.569 -15.826 -10.355 1.00 22.05 H new ATOM 0 HG23 THR A 36 -12.161 -14.903 -9.778 1.00 22.05 H new ATOM 538 N LYS A 37 -10.981 -19.860 -10.308 1.00 40.32 N ATOM 539 CA LYS A 37 -11.238 -21.240 -10.702 1.00 52.32 C ATOM 540 C LYS A 37 -11.094 -22.182 -9.511 1.00 1.50 C ATOM 541 O LYS A 37 -10.995 -23.396 -9.677 1.00 64.40 O ATOM 542 CB LYS A 37 -10.279 -21.661 -11.818 1.00 3.43 C ATOM 543 CG LYS A 37 -10.332 -20.758 -13.038 1.00 63.02 C ATOM 544 CD LYS A 37 -11.746 -20.635 -13.579 1.00 51.45 C ATOM 545 CE LYS A 37 -11.748 -20.275 -15.057 1.00 61.24 C ATOM 546 NZ LYS A 37 -13.102 -20.416 -15.661 1.00 20.31 N ATOM 0 H LYS A 37 -9.993 -19.628 -10.207 1.00 40.32 H new ATOM 0 HA LYS A 37 -12.262 -21.301 -11.069 1.00 52.32 H new ATOM 0 HB2 LYS A 37 -9.262 -21.670 -11.427 1.00 3.43 H new ATOM 0 HB3 LYS A 37 -10.513 -22.681 -12.121 1.00 3.43 H new ATOM 0 HG2 LYS A 37 -9.954 -19.770 -12.777 1.00 63.02 H new ATOM 0 HG3 LYS A 37 -9.678 -21.155 -13.814 1.00 63.02 H new ATOM 0 HD2 LYS A 37 -12.276 -21.576 -13.432 1.00 51.45 H new ATOM 0 HD3 LYS A 37 -12.287 -19.873 -13.017 1.00 51.45 H new ATOM 0 HE2 LYS A 37 -11.400 -19.250 -15.181 1.00 61.24 H new ATOM 0 HE3 LYS A 37 -11.045 -20.917 -15.588 1.00 61.24 H new ATOM 0 HZ1 LYS A 37 -13.061 -20.162 -16.669 1.00 20.31 H new ATOM 0 HZ2 LYS A 37 -13.424 -21.400 -15.565 1.00 20.31 H new ATOM 0 HZ3 LYS A 37 -13.768 -19.785 -15.171 1.00 20.31 H new ATOM 560 N ASN A 38 -11.085 -21.612 -8.310 1.00 62.20 N ATOM 561 CA ASN A 38 -10.954 -22.402 -7.091 1.00 2.11 C ATOM 562 C ASN A 38 -9.653 -23.200 -7.097 1.00 13.55 C ATOM 563 O ASN A 38 -9.628 -24.368 -6.710 1.00 21.21 O ATOM 564 CB ASN A 38 -12.146 -23.349 -6.942 1.00 23.53 C ATOM 565 CG ASN A 38 -12.270 -23.905 -5.536 1.00 72.11 C ATOM 566 OD1 ASN A 38 -12.605 -23.181 -4.598 1.00 24.50 O ATOM 567 ND2 ASN A 38 -12.000 -25.197 -5.385 1.00 14.54 N ATOM 0 H ASN A 38 -11.167 -20.607 -8.155 1.00 62.20 H new ATOM 0 HA ASN A 38 -10.935 -21.717 -6.244 1.00 2.11 H new ATOM 0 HB2 ASN A 38 -13.062 -22.819 -7.203 1.00 23.53 H new ATOM 0 HB3 ASN A 38 -12.042 -24.173 -7.648 1.00 23.53 H new ATOM 0 HD21 ASN A 38 -12.067 -25.628 -4.463 1.00 14.54 H new ATOM 0 HD22 ASN A 38 -11.726 -25.758 -6.191 1.00 14.54 H new ATOM 574 N TYR A 39 -8.576 -22.560 -7.537 1.00 5.02 N ATOM 575 CA TYR A 39 -7.272 -23.210 -7.595 1.00 5.24 C ATOM 576 C TYR A 39 -7.353 -24.528 -8.358 1.00 33.32 C ATOM 577 O TYR A 39 -7.078 -25.595 -7.808 1.00 50.10 O ATOM 578 CB TYR A 39 -6.739 -23.457 -6.182 1.00 64.44 C ATOM 579 CG TYR A 39 -6.992 -22.311 -5.230 1.00 11.21 C ATOM 580 CD1 TYR A 39 -6.501 -21.039 -5.496 1.00 53.33 C ATOM 581 CD2 TYR A 39 -7.724 -22.500 -4.064 1.00 3.33 C ATOM 582 CE1 TYR A 39 -6.730 -19.989 -4.628 1.00 41.43 C ATOM 583 CE2 TYR A 39 -7.959 -21.455 -3.191 1.00 25.13 C ATOM 584 CZ TYR A 39 -7.459 -20.202 -3.477 1.00 52.41 C ATOM 585 OH TYR A 39 -7.690 -19.158 -2.611 1.00 13.13 O ATOM 0 H TYR A 39 -8.580 -21.592 -7.859 1.00 5.02 H new ATOM 0 HA TYR A 39 -6.587 -22.547 -8.124 1.00 5.24 H new ATOM 0 HB2 TYR A 39 -7.201 -24.360 -5.781 1.00 64.44 H new ATOM 0 HB3 TYR A 39 -5.666 -23.644 -6.235 1.00 64.44 H new ATOM 0 HD1 TYR A 39 -5.930 -20.868 -6.397 1.00 53.33 H new ATOM 0 HD2 TYR A 39 -8.116 -23.480 -3.836 1.00 3.33 H new ATOM 0 HE1 TYR A 39 -6.340 -19.007 -4.850 1.00 41.43 H new ATOM 0 HE2 TYR A 39 -8.531 -21.619 -2.290 1.00 25.13 H new ATOM 0 HH TYR A 39 -8.220 -19.475 -1.850 1.00 13.13 H new ATOM 595 N ASP A 40 -7.733 -24.446 -9.628 1.00 61.12 N ATOM 596 CA ASP A 40 -7.850 -25.632 -10.469 1.00 42.55 C ATOM 597 C ASP A 40 -6.776 -25.637 -11.553 1.00 22.01 C ATOM 598 O ASP A 40 -6.337 -24.581 -12.011 1.00 31.52 O ATOM 599 CB ASP A 40 -9.238 -25.694 -11.109 1.00 64.23 C ATOM 600 CG ASP A 40 -10.139 -26.712 -10.439 1.00 22.32 C ATOM 601 OD1 ASP A 40 -10.607 -26.440 -9.313 1.00 73.43 O ATOM 602 OD2 ASP A 40 -10.376 -27.781 -11.040 1.00 14.42 O ATOM 0 H ASP A 40 -7.965 -23.571 -10.098 1.00 61.12 H new ATOM 0 HA ASP A 40 -7.709 -26.510 -9.839 1.00 42.55 H new ATOM 0 HB2 ASP A 40 -9.704 -24.710 -11.056 1.00 64.23 H new ATOM 0 HB3 ASP A 40 -9.137 -25.942 -12.166 1.00 64.23 H new ATOM 607 N ILE A 41 -6.357 -26.831 -11.957 1.00 65.31 N ATOM 608 CA ILE A 41 -5.334 -26.973 -12.986 1.00 72.42 C ATOM 609 C ILE A 41 -5.960 -27.270 -14.345 1.00 65.10 C ATOM 610 O ILE A 41 -5.424 -26.886 -15.384 1.00 21.12 O ATOM 611 CB ILE A 41 -4.336 -28.093 -12.637 1.00 71.35 C ATOM 612 CG1 ILE A 41 -3.990 -28.052 -11.148 1.00 4.23 C ATOM 613 CG2 ILE A 41 -3.078 -27.964 -13.483 1.00 51.12 C ATOM 614 CD1 ILE A 41 -3.388 -26.737 -10.704 1.00 0.13 C ATOM 0 H ILE A 41 -6.710 -27.714 -11.588 1.00 65.31 H new ATOM 0 HA ILE A 41 -4.800 -26.024 -13.034 1.00 72.42 H new ATOM 0 HB ILE A 41 -4.800 -29.054 -12.856 1.00 71.35 H new ATOM 0 HG12 ILE A 41 -4.893 -28.243 -10.568 1.00 4.23 H new ATOM 0 HG13 ILE A 41 -3.290 -28.857 -10.923 1.00 4.23 H new ATOM 0 HG21 ILE A 41 -2.382 -28.762 -13.225 1.00 51.12 H new ATOM 0 HG22 ILE A 41 -3.340 -28.038 -14.538 1.00 51.12 H new ATOM 0 HG23 ILE A 41 -2.609 -26.999 -13.293 1.00 51.12 H new ATOM 0 HD11 ILE A 41 -3.168 -26.779 -9.637 1.00 0.13 H new ATOM 0 HD12 ILE A 41 -2.467 -26.553 -11.258 1.00 0.13 H new ATOM 0 HD13 ILE A 41 -4.095 -25.930 -10.897 1.00 0.13 H new ATOM 626 N GLY A 42 -7.099 -27.956 -14.329 1.00 42.53 N ATOM 627 CA GLY A 42 -7.780 -28.291 -15.566 1.00 40.21 C ATOM 628 C GLY A 42 -8.632 -27.150 -16.087 1.00 4.04 C ATOM 629 O GLY A 42 -8.935 -27.086 -17.278 1.00 24.04 O ATOM 0 H GLY A 42 -7.562 -28.285 -13.482 1.00 42.53 H new ATOM 0 HA2 GLY A 42 -7.042 -28.563 -16.321 1.00 40.21 H new ATOM 0 HA3 GLY A 42 -8.409 -29.166 -15.405 1.00 40.21 H new ATOM 633 N ALA A 43 -9.020 -26.248 -15.192 1.00 12.43 N ATOM 634 CA ALA A 43 -9.842 -25.104 -15.567 1.00 42.34 C ATOM 635 C ALA A 43 -8.978 -23.938 -16.036 1.00 51.32 C ATOM 636 O ALA A 43 -9.350 -23.207 -16.953 1.00 54.25 O ATOM 637 CB ALA A 43 -10.719 -24.677 -14.399 1.00 63.44 C ATOM 0 H ALA A 43 -8.778 -26.287 -14.202 1.00 12.43 H new ATOM 0 HA ALA A 43 -10.482 -25.405 -16.396 1.00 42.34 H new ATOM 0 HB1 ALA A 43 -11.327 -23.822 -14.694 1.00 63.44 H new ATOM 0 HB2 ALA A 43 -11.370 -25.503 -14.112 1.00 63.44 H new ATOM 0 HB3 ALA A 43 -10.089 -24.400 -13.553 1.00 63.44 H new ATOM 643 N ALA A 44 -7.823 -23.769 -15.400 1.00 35.50 N ATOM 644 CA ALA A 44 -6.906 -22.693 -15.753 1.00 55.12 C ATOM 645 C ALA A 44 -6.249 -22.953 -17.104 1.00 42.01 C ATOM 646 O ALA A 44 -5.827 -22.021 -17.790 1.00 65.33 O ATOM 647 CB ALA A 44 -5.849 -22.525 -14.673 1.00 4.14 C ATOM 0 H ALA A 44 -7.500 -24.364 -14.637 1.00 35.50 H new ATOM 0 HA ALA A 44 -7.480 -21.770 -15.830 1.00 55.12 H new ATOM 0 HB1 ALA A 44 -5.171 -21.718 -14.950 1.00 4.14 H new ATOM 0 HB2 ALA A 44 -6.332 -22.284 -13.726 1.00 4.14 H new ATOM 0 HB3 ALA A 44 -5.286 -23.452 -14.568 1.00 4.14 H new ATOM 653 N LEU A 45 -6.164 -24.224 -17.481 1.00 31.14 N ATOM 654 CA LEU A 45 -5.557 -24.607 -18.750 1.00 63.24 C ATOM 655 C LEU A 45 -6.420 -24.157 -19.925 1.00 22.03 C ATOM 656 O LEU A 45 -5.935 -24.019 -21.048 1.00 24.52 O ATOM 657 CB LEU A 45 -5.352 -26.122 -18.804 1.00 74.21 C ATOM 658 CG LEU A 45 -4.098 -26.655 -18.110 1.00 73.45 C ATOM 659 CD1 LEU A 45 -4.158 -28.170 -17.991 1.00 65.31 C ATOM 660 CD2 LEU A 45 -2.848 -26.227 -18.865 1.00 53.51 C ATOM 0 H LEU A 45 -6.508 -25.007 -16.925 1.00 31.14 H new ATOM 0 HA LEU A 45 -4.588 -24.113 -18.824 1.00 63.24 H new ATOM 0 HB2 LEU A 45 -6.222 -26.602 -18.357 1.00 74.21 H new ATOM 0 HB3 LEU A 45 -5.322 -26.427 -19.850 1.00 74.21 H new ATOM 0 HG LEU A 45 -4.054 -26.233 -17.106 1.00 73.45 H new ATOM 0 HD11 LEU A 45 -3.258 -28.532 -17.495 1.00 65.31 H new ATOM 0 HD12 LEU A 45 -5.033 -28.455 -17.407 1.00 65.31 H new ATOM 0 HD13 LEU A 45 -4.226 -28.611 -18.986 1.00 65.31 H new ATOM 0 HD21 LEU A 45 -1.965 -26.615 -18.357 1.00 53.51 H new ATOM 0 HD22 LEU A 45 -2.884 -26.620 -19.881 1.00 53.51 H new ATOM 0 HD23 LEU A 45 -2.798 -25.139 -18.899 1.00 53.51 H new ATOM 672 N ASP A 46 -7.700 -23.927 -19.657 1.00 35.31 N ATOM 673 CA ASP A 46 -8.631 -23.489 -20.691 1.00 31.04 C ATOM 674 C ASP A 46 -9.094 -22.058 -20.434 1.00 64.12 C ATOM 675 O ASP A 46 -10.272 -21.736 -20.594 1.00 24.34 O ATOM 676 CB ASP A 46 -9.839 -24.426 -20.750 1.00 2.32 C ATOM 677 CG ASP A 46 -10.281 -24.711 -22.172 1.00 12.44 C ATOM 678 OD1 ASP A 46 -10.687 -23.757 -22.869 1.00 61.45 O ATOM 679 OD2 ASP A 46 -10.221 -25.887 -22.587 1.00 10.42 O ATOM 0 H ASP A 46 -8.117 -24.036 -18.733 1.00 35.31 H new ATOM 0 HA ASP A 46 -8.112 -23.518 -21.649 1.00 31.04 H new ATOM 0 HB2 ASP A 46 -9.592 -25.365 -20.254 1.00 2.32 H new ATOM 0 HB3 ASP A 46 -10.667 -23.982 -20.197 1.00 2.32 H new ATOM 684 N THR A 47 -8.158 -21.202 -20.035 1.00 14.24 N ATOM 685 CA THR A 47 -8.470 -19.806 -19.754 1.00 21.02 C ATOM 686 C THR A 47 -7.473 -18.873 -20.432 1.00 74.02 C ATOM 687 O THR A 47 -7.462 -17.669 -20.174 1.00 43.04 O ATOM 688 CB THR A 47 -8.471 -19.524 -18.239 1.00 64.44 C ATOM 689 OG1 THR A 47 -9.118 -20.594 -17.542 1.00 73.53 O ATOM 690 CG2 THR A 47 -9.177 -18.212 -17.933 1.00 62.24 C ATOM 0 H THR A 47 -7.178 -21.451 -19.899 1.00 14.24 H new ATOM 0 HA THR A 47 -9.468 -19.619 -20.152 1.00 21.02 H new ATOM 0 HB THR A 47 -7.436 -19.447 -17.905 1.00 64.44 H new ATOM 0 HG1 THR A 47 -8.585 -21.411 -17.630 1.00 73.53 H new ATOM 0 HG21 THR A 47 -9.165 -18.035 -16.858 1.00 62.24 H new ATOM 0 HG22 THR A 47 -8.664 -17.396 -18.441 1.00 62.24 H new ATOM 0 HG23 THR A 47 -10.209 -18.264 -18.281 1.00 62.24 H new ATOM 698 N ILE A 48 -6.640 -19.436 -21.300 1.00 44.32 N ATOM 699 CA ILE A 48 -5.641 -18.653 -22.017 1.00 3.41 C ATOM 700 C ILE A 48 -5.986 -18.544 -23.498 1.00 73.32 C ATOM 701 O ILE A 48 -5.736 -17.518 -24.130 1.00 33.22 O ATOM 702 CB ILE A 48 -4.235 -19.266 -21.873 1.00 12.53 C ATOM 703 CG1 ILE A 48 -4.132 -20.058 -20.568 1.00 72.41 C ATOM 704 CG2 ILE A 48 -3.175 -18.176 -21.922 1.00 4.22 C ATOM 705 CD1 ILE A 48 -4.534 -21.510 -20.710 1.00 4.11 C ATOM 0 H ILE A 48 -6.637 -20.431 -21.524 1.00 44.32 H new ATOM 0 HA ILE A 48 -5.642 -17.658 -21.572 1.00 3.41 H new ATOM 0 HB ILE A 48 -4.065 -19.949 -22.705 1.00 12.53 H new ATOM 0 HG12 ILE A 48 -3.107 -20.007 -20.201 1.00 72.41 H new ATOM 0 HG13 ILE A 48 -4.763 -19.586 -19.815 1.00 72.41 H new ATOM 0 HG21 ILE A 48 -2.187 -18.624 -21.819 1.00 4.22 H new ATOM 0 HG22 ILE A 48 -3.237 -17.650 -22.875 1.00 4.22 H new ATOM 0 HG23 ILE A 48 -3.340 -17.471 -21.107 1.00 4.22 H new ATOM 0 HD11 ILE A 48 -4.437 -22.010 -19.747 1.00 4.11 H new ATOM 0 HD12 ILE A 48 -5.569 -21.570 -21.047 1.00 4.11 H new ATOM 0 HD13 ILE A 48 -3.886 -21.997 -21.439 1.00 4.11 H new ATOM 717 N GLN A 49 -6.564 -19.609 -24.045 1.00 22.21 N ATOM 718 CA GLN A 49 -6.945 -19.633 -25.452 1.00 41.11 C ATOM 719 C GLN A 49 -7.781 -18.409 -25.810 1.00 53.12 C ATOM 720 O GLN A 49 -7.452 -17.670 -26.738 1.00 52.33 O ATOM 721 CB GLN A 49 -7.726 -20.909 -25.769 1.00 63.44 C ATOM 722 CG GLN A 49 -6.984 -22.184 -25.399 1.00 15.11 C ATOM 723 CD GLN A 49 -6.381 -22.879 -26.603 1.00 60.23 C ATOM 724 OE1 GLN A 49 -7.022 -23.719 -27.236 1.00 12.13 O ATOM 725 NE2 GLN A 49 -5.141 -22.532 -26.928 1.00 21.33 N ATOM 0 H GLN A 49 -6.778 -20.466 -23.535 1.00 22.21 H new ATOM 0 HA GLN A 49 -6.034 -19.616 -26.050 1.00 41.11 H new ATOM 0 HB2 GLN A 49 -8.677 -20.885 -25.237 1.00 63.44 H new ATOM 0 HB3 GLN A 49 -7.957 -20.929 -26.834 1.00 63.44 H new ATOM 0 HG2 GLN A 49 -6.193 -21.946 -24.688 1.00 15.11 H new ATOM 0 HG3 GLN A 49 -7.670 -22.866 -24.896 1.00 15.11 H new ATOM 0 HE21 GLN A 49 -4.646 -21.831 -26.376 1.00 21.33 H new ATOM 0 HE22 GLN A 49 -4.683 -22.966 -27.730 1.00 21.33 H new ATOM 734 N TYR A 50 -8.864 -18.201 -25.069 1.00 62.01 N ATOM 735 CA TYR A 50 -9.749 -17.068 -25.310 1.00 52.04 C ATOM 736 C TYR A 50 -10.622 -16.789 -24.090 1.00 44.23 C ATOM 737 O TYR A 50 -10.407 -17.353 -23.018 1.00 34.43 O ATOM 738 CB TYR A 50 -10.631 -17.334 -26.532 1.00 10.14 C ATOM 739 CG TYR A 50 -11.714 -18.360 -26.285 1.00 1.12 C ATOM 740 CD1 TYR A 50 -11.431 -19.720 -26.319 1.00 51.43 C ATOM 741 CD2 TYR A 50 -13.020 -17.969 -26.016 1.00 20.00 C ATOM 742 CE1 TYR A 50 -12.418 -20.660 -26.095 1.00 64.32 C ATOM 743 CE2 TYR A 50 -14.013 -18.903 -25.789 1.00 44.31 C ATOM 744 CZ TYR A 50 -13.707 -20.247 -25.830 1.00 44.03 C ATOM 745 OH TYR A 50 -14.692 -21.181 -25.605 1.00 42.10 O ATOM 0 H TYR A 50 -9.150 -18.802 -24.296 1.00 62.01 H new ATOM 0 HA TYR A 50 -9.131 -16.191 -25.500 1.00 52.04 H new ATOM 0 HB2 TYR A 50 -11.093 -16.398 -26.846 1.00 10.14 H new ATOM 0 HB3 TYR A 50 -10.003 -17.672 -27.356 1.00 10.14 H new ATOM 0 HD1 TYR A 50 -10.422 -20.048 -26.524 1.00 51.43 H new ATOM 0 HD2 TYR A 50 -13.263 -16.917 -25.984 1.00 20.00 H new ATOM 0 HE1 TYR A 50 -12.182 -21.713 -26.127 1.00 64.32 H new ATOM 0 HE2 TYR A 50 -15.023 -18.582 -25.581 1.00 44.31 H new ATOM 0 HH TYR A 50 -15.542 -20.725 -25.432 1.00 42.10 H new ATOM 755 N SER A 51 -11.607 -15.914 -24.263 1.00 50.33 N ATOM 756 CA SER A 51 -12.511 -15.556 -23.177 1.00 12.13 C ATOM 757 C SER A 51 -13.941 -15.980 -23.498 1.00 11.11 C ATOM 758 O SER A 51 -14.494 -16.875 -22.859 1.00 74.43 O ATOM 759 CB SER A 51 -12.460 -14.049 -22.918 1.00 0.04 C ATOM 760 OG SER A 51 -11.320 -13.702 -22.151 1.00 1.20 O ATOM 0 H SER A 51 -11.799 -15.440 -25.145 1.00 50.33 H new ATOM 0 HA SER A 51 -12.187 -16.083 -22.279 1.00 12.13 H new ATOM 0 HB2 SER A 51 -12.440 -13.514 -23.867 1.00 0.04 H new ATOM 0 HB3 SER A 51 -13.363 -13.736 -22.395 1.00 0.04 H new ATOM 0 HG SER A 51 -11.309 -12.734 -22.001 1.00 1.20 H new ATOM 766 N LYS A 52 -14.535 -15.330 -24.493 1.00 1.41 N ATOM 767 CA LYS A 52 -15.900 -15.638 -24.902 1.00 40.21 C ATOM 768 C LYS A 52 -15.953 -16.017 -26.379 1.00 1.52 C ATOM 769 O LYS A 52 -16.536 -17.036 -26.748 1.00 32.41 O ATOM 770 CB LYS A 52 -16.816 -14.441 -24.639 1.00 1.54 C ATOM 771 CG LYS A 52 -16.926 -14.071 -23.170 1.00 14.15 C ATOM 772 CD LYS A 52 -18.321 -14.340 -22.630 1.00 72.21 C ATOM 773 CE LYS A 52 -18.488 -13.795 -21.220 1.00 54.42 C ATOM 774 NZ LYS A 52 -19.802 -13.118 -21.040 1.00 15.42 N ATOM 0 H LYS A 52 -14.092 -14.586 -25.032 1.00 1.41 H new ATOM 0 HA LYS A 52 -16.246 -16.488 -24.314 1.00 40.21 H new ATOM 0 HB2 LYS A 52 -16.444 -13.580 -25.195 1.00 1.54 H new ATOM 0 HB3 LYS A 52 -17.811 -14.664 -25.024 1.00 1.54 H new ATOM 0 HG2 LYS A 52 -16.196 -14.641 -22.595 1.00 14.15 H new ATOM 0 HG3 LYS A 52 -16.682 -13.017 -23.040 1.00 14.15 H new ATOM 0 HD2 LYS A 52 -19.061 -13.884 -23.288 1.00 72.21 H new ATOM 0 HD3 LYS A 52 -18.512 -15.413 -22.631 1.00 72.21 H new ATOM 0 HE2 LYS A 52 -18.398 -14.610 -20.502 1.00 54.42 H new ATOM 0 HE3 LYS A 52 -17.684 -13.091 -21.005 1.00 54.42 H new ATOM 0 HZ1 LYS A 52 -19.878 -12.760 -20.066 1.00 15.42 H new ATOM 0 HZ2 LYS A 52 -19.878 -12.324 -21.707 1.00 15.42 H new ATOM 0 HZ3 LYS A 52 -20.570 -13.796 -21.220 1.00 15.42 H new ATOM 788 N HIS A 53 -15.339 -15.190 -27.220 1.00 12.25 N ATOM 789 CA HIS A 53 -15.315 -15.440 -28.656 1.00 41.24 C ATOM 790 C HIS A 53 -14.209 -16.427 -29.018 1.00 3.45 C ATOM 791 O HIS A 53 -14.348 -17.632 -28.810 1.00 24.52 O ATOM 792 CB HIS A 53 -15.115 -14.130 -29.420 1.00 35.31 C ATOM 793 CG HIS A 53 -13.903 -13.364 -28.989 1.00 23.31 C ATOM 794 ND1 HIS A 53 -12.626 -13.768 -28.787 1.00 10.04 N flip ATOM 795 CD2 HIS A 53 -13.925 -12.014 -28.711 1.00 55.51 C flip ATOM 796 CE1 HIS A 53 -11.908 -12.665 -28.396 1.00 24.31 C flip ATOM 797 NE2 HIS A 53 -12.715 -11.619 -28.358 1.00 10.42 N flip ATOM 0 H HIS A 53 -14.852 -14.342 -26.931 1.00 12.25 H new ATOM 0 HA HIS A 53 -16.273 -15.875 -28.940 1.00 41.24 H new ATOM 0 HB2 HIS A 53 -15.037 -14.349 -30.485 1.00 35.31 H new ATOM 0 HB3 HIS A 53 -15.997 -13.503 -29.287 1.00 35.31 H new ATOM 0 HD2 HIS A 53 -14.796 -11.378 -28.772 1.00 55.51 H new ATOM 0 HE1 HIS A 53 -10.855 -12.654 -28.158 1.00 24.31 H new ATOM 0 HE2 HIS A 53 -12.449 -10.669 -28.100 1.00 10.42 H new TER 805 HIS A 53