USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 738 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 10 HIS : no HD1:sc= 0 X(o=0.039,f=0.039) USER MOD Set 1.2: A 12 SER OG : rot 45:sc= 0.0389 USER MOD Set 2.1: A 9 HIS : no HD1:sc= 0 X(o=0.047,f=0.24) USER MOD Set 2.2: A 11 SER OG : rot 50:sc= 0.0466 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 46:sc= 0.185 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 5 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.00084) USER MOD Single : A 6 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.0061) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.336 K(o=0.34,f=-6.5!) USER MOD Single : A 22 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 52:sc= 0.617 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 36 SER OG : rot 67:sc= 0.935 USER MOD Single : A 49 HIS : no HE2:sc= 0.488 K(o=1.9,f=-8.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 55 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.69) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 73 HIS : no HE2:sc= 0.0157 X(o=0.016,f=-0.35) USER MOD Single : A 85 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 91 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.015) USER MOD Single : A 95 SER OG : rot 0:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.542 15.480 -17.849 1.00 0.00 N ATOM 2 CA MET A 1 -34.377 14.423 -17.230 1.00 52.33 C ATOM 3 C MET A 1 -34.584 14.700 -15.744 1.00 51.41 C ATOM 4 O MET A 1 -35.691 15.030 -15.315 1.00 24.31 O ATOM 5 CB MET A 1 -33.726 13.049 -17.423 1.00 25.51 C ATOM 6 CG MET A 1 -34.580 11.894 -16.931 1.00 61.33 C ATOM 7 SD MET A 1 -36.151 11.779 -17.809 1.00 74.24 S ATOM 8 CE MET A 1 -36.882 10.357 -17.003 1.00 20.42 C ATOM 0 H1 MET A 1 -33.413 15.273 -18.860 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.012 16.401 -17.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -32.614 15.508 -17.380 1.00 0.00 H new ATOM 0 HA MET A 1 -35.350 14.425 -17.721 1.00 52.33 H new ATOM 0 HB2 MET A 1 -33.510 12.905 -18.482 1.00 25.51 H new ATOM 0 HB3 MET A 1 -32.771 13.032 -16.898 1.00 25.51 H new ATOM 0 HG2 MET A 1 -34.030 10.961 -17.053 1.00 61.33 H new ATOM 0 HG3 MET A 1 -34.771 12.015 -15.865 1.00 61.33 H new ATOM 0 HE1 MET A 1 -37.862 10.157 -17.437 1.00 20.42 H new ATOM 0 HE2 MET A 1 -36.239 9.488 -17.144 1.00 20.42 H new ATOM 0 HE3 MET A 1 -36.991 10.559 -15.937 1.00 20.42 H new ATOM 20 N GLY A 2 -33.525 14.565 -14.954 1.00 1.31 N ATOM 21 CA GLY A 2 -33.639 14.840 -13.534 1.00 74.45 C ATOM 22 C GLY A 2 -32.342 15.317 -12.913 1.00 42.23 C ATOM 23 O GLY A 2 -32.316 15.700 -11.743 1.00 1.31 O ATOM 0 H GLY A 2 -32.599 14.273 -15.267 1.00 1.31 H new ATOM 0 HA2 GLY A 2 -34.409 15.596 -13.377 1.00 74.45 H new ATOM 0 HA3 GLY A 2 -33.970 13.937 -13.021 1.00 74.45 H new ATOM 27 N SER A 3 -31.266 15.293 -13.686 1.00 24.03 N ATOM 28 CA SER A 3 -29.960 15.687 -13.186 1.00 53.14 C ATOM 29 C SER A 3 -29.853 17.205 -13.083 1.00 22.44 C ATOM 30 O SER A 3 -29.654 17.900 -14.081 1.00 43.54 O ATOM 31 CB SER A 3 -28.863 15.126 -14.094 1.00 31.34 C ATOM 32 OG SER A 3 -29.153 15.384 -15.458 1.00 63.22 O ATOM 0 H SER A 3 -31.273 15.004 -14.664 1.00 24.03 H new ATOM 0 HA SER A 3 -29.831 15.276 -12.185 1.00 53.14 H new ATOM 0 HB2 SER A 3 -27.904 15.573 -13.831 1.00 31.34 H new ATOM 0 HB3 SER A 3 -28.768 14.052 -13.935 1.00 31.34 H new ATOM 0 HG SER A 3 -29.438 16.316 -15.561 1.00 63.22 H new ATOM 38 N SER A 4 -30.017 17.715 -11.875 1.00 24.24 N ATOM 39 CA SER A 4 -29.917 19.142 -11.619 1.00 42.11 C ATOM 40 C SER A 4 -29.463 19.375 -10.185 1.00 74.54 C ATOM 41 O SER A 4 -29.063 18.424 -9.505 1.00 32.34 O ATOM 42 CB SER A 4 -31.269 19.817 -11.879 1.00 42.44 C ATOM 43 OG SER A 4 -31.681 19.624 -13.222 1.00 61.44 O ATOM 0 H SER A 4 -30.222 17.155 -11.047 1.00 24.24 H new ATOM 0 HA SER A 4 -29.181 19.581 -12.292 1.00 42.11 H new ATOM 0 HB2 SER A 4 -32.020 19.409 -11.202 1.00 42.44 H new ATOM 0 HB3 SER A 4 -31.194 20.884 -11.667 1.00 42.44 H new ATOM 0 HG SER A 4 -32.546 20.061 -13.365 1.00 61.44 H new ATOM 49 N HIS A 5 -29.499 20.637 -9.742 1.00 21.54 N ATOM 50 CA HIS A 5 -29.141 21.016 -8.364 1.00 43.44 C ATOM 51 C HIS A 5 -27.627 20.984 -8.142 1.00 11.42 C ATOM 52 O HIS A 5 -27.086 21.813 -7.410 1.00 72.34 O ATOM 53 CB HIS A 5 -29.856 20.114 -7.343 1.00 54.31 C ATOM 54 CG HIS A 5 -29.650 20.505 -5.908 1.00 63.40 C ATOM 55 ND1 HIS A 5 -30.565 21.250 -5.194 1.00 33.40 N ATOM 56 CD2 HIS A 5 -28.633 20.243 -5.050 1.00 55.34 C ATOM 57 CE1 HIS A 5 -30.122 21.430 -3.965 1.00 51.32 C ATOM 58 NE2 HIS A 5 -28.954 20.830 -3.853 1.00 2.15 N ATOM 0 H HIS A 5 -29.776 21.426 -10.326 1.00 21.54 H new ATOM 0 HA HIS A 5 -29.475 22.043 -8.214 1.00 43.44 H new ATOM 0 HB2 HIS A 5 -30.925 20.121 -7.558 1.00 54.31 H new ATOM 0 HB3 HIS A 5 -29.511 19.089 -7.479 1.00 54.31 H new ATOM 0 HD2 HIS A 5 -27.739 19.678 -5.268 1.00 55.34 H new ATOM 0 HE1 HIS A 5 -30.630 21.976 -3.184 1.00 51.32 H new ATOM 0 HE2 HIS A 5 -28.380 20.806 -3.010 1.00 2.15 H new ATOM 67 N HIS A 6 -26.944 20.035 -8.766 1.00 50.11 N ATOM 68 CA HIS A 6 -25.503 19.912 -8.609 1.00 75.54 C ATOM 69 C HIS A 6 -24.797 20.975 -9.446 1.00 55.31 C ATOM 70 O HIS A 6 -24.447 20.752 -10.605 1.00 22.21 O ATOM 71 CB HIS A 6 -25.040 18.507 -9.003 1.00 50.11 C ATOM 72 CG HIS A 6 -23.852 18.027 -8.228 1.00 63.23 C ATOM 73 ND1 HIS A 6 -22.745 17.455 -8.812 1.00 31.20 N ATOM 74 CD2 HIS A 6 -23.620 18.007 -6.895 1.00 44.40 C ATOM 75 CE1 HIS A 6 -21.889 17.102 -7.873 1.00 32.13 C ATOM 76 NE2 HIS A 6 -22.395 17.427 -6.698 1.00 61.41 N ATOM 0 H HIS A 6 -27.364 19.341 -9.384 1.00 50.11 H new ATOM 0 HA HIS A 6 -25.245 20.069 -7.562 1.00 75.54 H new ATOM 0 HB2 HIS A 6 -25.864 17.808 -8.858 1.00 50.11 H new ATOM 0 HB3 HIS A 6 -24.798 18.498 -10.066 1.00 50.11 H new ATOM 0 HD2 HIS A 6 -24.281 18.380 -6.126 1.00 44.40 H new ATOM 0 HE1 HIS A 6 -20.933 16.626 -8.038 1.00 32.13 H new ATOM 0 HE2 HIS A 6 -21.948 17.272 -5.794 1.00 61.41 H new ATOM 85 N HIS A 7 -24.633 22.144 -8.858 1.00 73.23 N ATOM 86 CA HIS A 7 -24.035 23.278 -9.541 1.00 52.00 C ATOM 87 C HIS A 7 -23.043 23.956 -8.610 1.00 71.14 C ATOM 88 O HIS A 7 -23.404 24.370 -7.512 1.00 50.40 O ATOM 89 CB HIS A 7 -25.139 24.256 -9.966 1.00 34.14 C ATOM 90 CG HIS A 7 -24.660 25.440 -10.748 1.00 13.42 C ATOM 91 ND1 HIS A 7 -24.595 25.456 -12.121 1.00 52.00 N ATOM 92 CD2 HIS A 7 -24.259 26.668 -10.343 1.00 65.32 C ATOM 93 CE1 HIS A 7 -24.169 26.634 -12.527 1.00 24.51 C ATOM 94 NE2 HIS A 7 -23.962 27.394 -11.470 1.00 50.14 N ATOM 0 H HIS A 7 -24.909 22.336 -7.895 1.00 73.23 H new ATOM 0 HA HIS A 7 -23.506 22.943 -10.433 1.00 52.00 H new ATOM 0 HB2 HIS A 7 -25.873 23.716 -10.564 1.00 34.14 H new ATOM 0 HB3 HIS A 7 -25.654 24.612 -9.073 1.00 34.14 H new ATOM 0 HD2 HIS A 7 -24.186 27.013 -9.322 1.00 65.32 H new ATOM 0 HE1 HIS A 7 -24.015 26.928 -13.555 1.00 24.51 H new ATOM 0 HE2 HIS A 7 -23.636 28.360 -11.487 1.00 50.14 H new ATOM 103 N HIS A 8 -21.793 24.048 -9.036 1.00 71.45 N ATOM 104 CA HIS A 8 -20.747 24.635 -8.208 1.00 15.11 C ATOM 105 C HIS A 8 -19.649 25.240 -9.070 1.00 55.22 C ATOM 106 O HIS A 8 -19.463 24.836 -10.217 1.00 32.11 O ATOM 107 CB HIS A 8 -20.154 23.585 -7.255 1.00 3.22 C ATOM 108 CG HIS A 8 -19.568 22.379 -7.940 1.00 53.14 C ATOM 109 ND1 HIS A 8 -18.215 22.112 -7.978 1.00 0.23 N ATOM 110 CD2 HIS A 8 -20.166 21.354 -8.597 1.00 73.13 C ATOM 111 CE1 HIS A 8 -18.010 20.981 -8.627 1.00 2.11 C ATOM 112 NE2 HIS A 8 -19.176 20.502 -9.011 1.00 25.42 N ATOM 0 H HIS A 8 -21.476 23.724 -9.950 1.00 71.45 H new ATOM 0 HA HIS A 8 -21.197 25.430 -7.614 1.00 15.11 H new ATOM 0 HB2 HIS A 8 -19.378 24.057 -6.652 1.00 3.22 H new ATOM 0 HB3 HIS A 8 -20.934 23.254 -6.569 1.00 3.22 H new ATOM 0 HD2 HIS A 8 -21.226 21.232 -8.763 1.00 73.13 H new ATOM 0 HE1 HIS A 8 -17.049 20.525 -8.812 1.00 2.11 H new ATOM 0 HE2 HIS A 8 -19.319 19.637 -9.532 1.00 25.42 H new ATOM 121 N HIS A 9 -18.935 26.215 -8.516 1.00 1.14 N ATOM 122 CA HIS A 9 -17.811 26.835 -9.209 1.00 62.44 C ATOM 123 C HIS A 9 -16.893 27.532 -8.210 1.00 44.15 C ATOM 124 O HIS A 9 -17.228 28.586 -7.671 1.00 11.43 O ATOM 125 CB HIS A 9 -18.296 27.836 -10.261 1.00 23.21 C ATOM 126 CG HIS A 9 -17.193 28.356 -11.131 1.00 21.34 C ATOM 127 ND1 HIS A 9 -16.646 29.611 -10.986 1.00 72.40 N ATOM 128 CD2 HIS A 9 -16.522 27.773 -12.151 1.00 73.41 C ATOM 129 CE1 HIS A 9 -15.688 29.777 -11.878 1.00 42.10 C ATOM 130 NE2 HIS A 9 -15.590 28.676 -12.597 1.00 61.32 N ATOM 0 H HIS A 9 -19.116 26.594 -7.586 1.00 1.14 H new ATOM 0 HA HIS A 9 -17.254 26.048 -9.717 1.00 62.44 H new ATOM 0 HB2 HIS A 9 -19.050 27.359 -10.887 1.00 23.21 H new ATOM 0 HB3 HIS A 9 -18.781 28.674 -9.760 1.00 23.21 H new ATOM 0 HD2 HIS A 9 -16.689 26.780 -12.542 1.00 73.41 H new ATOM 0 HE1 HIS A 9 -15.086 30.665 -11.999 1.00 42.10 H new ATOM 0 HE2 HIS A 9 -14.930 28.521 -13.359 1.00 61.32 H new ATOM 139 N HIS A 10 -15.742 26.931 -7.968 1.00 43.03 N ATOM 140 CA HIS A 10 -14.779 27.461 -7.019 1.00 71.21 C ATOM 141 C HIS A 10 -13.364 27.312 -7.573 1.00 73.32 C ATOM 142 O HIS A 10 -12.649 26.365 -7.244 1.00 72.32 O ATOM 143 CB HIS A 10 -14.916 26.735 -5.675 1.00 71.13 C ATOM 144 CG HIS A 10 -14.022 27.249 -4.585 1.00 70.35 C ATOM 145 ND1 HIS A 10 -13.112 26.453 -3.920 1.00 70.10 N ATOM 146 CD2 HIS A 10 -13.930 28.473 -4.018 1.00 64.12 C ATOM 147 CE1 HIS A 10 -12.509 27.163 -2.989 1.00 53.14 C ATOM 148 NE2 HIS A 10 -12.981 28.393 -3.026 1.00 31.44 N ATOM 0 H HIS A 10 -15.449 26.066 -8.421 1.00 43.03 H new ATOM 0 HA HIS A 10 -14.976 28.521 -6.860 1.00 71.21 H new ATOM 0 HB2 HIS A 10 -15.951 26.810 -5.342 1.00 71.13 H new ATOM 0 HB3 HIS A 10 -14.707 25.676 -5.828 1.00 71.13 H new ATOM 0 HD2 HIS A 10 -14.497 29.350 -4.293 1.00 64.12 H new ATOM 0 HE1 HIS A 10 -11.754 26.798 -2.309 1.00 53.14 H new ATOM 0 HE2 HIS A 10 -12.690 29.159 -2.419 1.00 31.44 H new ATOM 157 N SER A 11 -12.982 28.232 -8.443 1.00 43.42 N ATOM 158 CA SER A 11 -11.672 28.197 -9.068 1.00 51.31 C ATOM 159 C SER A 11 -10.710 29.142 -8.356 1.00 21.53 C ATOM 160 O SER A 11 -10.635 30.334 -8.669 1.00 31.33 O ATOM 161 CB SER A 11 -11.786 28.547 -10.555 1.00 1.33 C ATOM 162 OG SER A 11 -12.635 29.668 -10.766 1.00 62.23 O ATOM 0 H SER A 11 -13.565 29.017 -8.733 1.00 43.42 H new ATOM 0 HA SER A 11 -11.271 27.187 -8.983 1.00 51.31 H new ATOM 0 HB2 SER A 11 -10.795 28.760 -10.956 1.00 1.33 H new ATOM 0 HB3 SER A 11 -12.174 27.688 -11.103 1.00 1.33 H new ATOM 0 HG SER A 11 -12.366 30.399 -10.171 1.00 62.23 H new ATOM 168 N SER A 12 -9.999 28.615 -7.374 1.00 15.23 N ATOM 169 CA SER A 12 -9.086 29.418 -6.582 1.00 41.25 C ATOM 170 C SER A 12 -7.731 28.730 -6.440 1.00 0.12 C ATOM 171 O SER A 12 -7.608 27.692 -5.783 1.00 12.43 O ATOM 172 CB SER A 12 -9.704 29.689 -5.207 1.00 3.51 C ATOM 173 OG SER A 12 -10.289 28.512 -4.672 1.00 63.24 O ATOM 0 H SER A 12 -10.037 27.632 -7.106 1.00 15.23 H new ATOM 0 HA SER A 12 -8.920 30.367 -7.092 1.00 41.25 H new ATOM 0 HB2 SER A 12 -8.938 30.060 -4.527 1.00 3.51 H new ATOM 0 HB3 SER A 12 -10.460 30.469 -5.292 1.00 3.51 H new ATOM 0 HG SER A 12 -9.680 27.755 -4.803 1.00 63.24 H new ATOM 179 N GLY A 13 -6.720 29.298 -7.074 1.00 40.42 N ATOM 180 CA GLY A 13 -5.391 28.743 -6.978 1.00 12.33 C ATOM 181 C GLY A 13 -4.698 28.677 -8.318 1.00 61.01 C ATOM 182 O GLY A 13 -5.275 28.212 -9.302 1.00 60.42 O ATOM 0 H GLY A 13 -6.797 30.134 -7.654 1.00 40.42 H new ATOM 0 HA2 GLY A 13 -4.796 29.348 -6.293 1.00 12.33 H new ATOM 0 HA3 GLY A 13 -5.448 27.742 -6.552 1.00 12.33 H new ATOM 186 N ARG A 14 -3.466 29.150 -8.359 1.00 33.35 N ATOM 187 CA ARG A 14 -2.686 29.135 -9.586 1.00 32.11 C ATOM 188 C ARG A 14 -1.432 28.285 -9.412 1.00 64.20 C ATOM 189 O ARG A 14 -1.027 27.566 -10.324 1.00 61.32 O ATOM 190 CB ARG A 14 -2.316 30.561 -10.017 1.00 74.13 C ATOM 191 CG ARG A 14 -1.553 31.350 -8.968 1.00 11.54 C ATOM 192 CD ARG A 14 -1.177 32.726 -9.483 1.00 4.42 C ATOM 193 NE ARG A 14 -0.432 33.501 -8.497 1.00 14.12 N ATOM 194 CZ ARG A 14 0.080 34.706 -8.737 1.00 41.22 C ATOM 195 NH1 ARG A 14 -0.062 35.259 -9.934 1.00 22.45 N ATOM 196 NH2 ARG A 14 0.734 35.357 -7.784 1.00 22.14 N ATOM 0 H ARG A 14 -2.982 29.551 -7.556 1.00 33.35 H new ATOM 0 HA ARG A 14 -3.298 28.692 -10.372 1.00 32.11 H new ATOM 0 HB2 ARG A 14 -1.715 30.510 -10.925 1.00 74.13 H new ATOM 0 HB3 ARG A 14 -3.229 31.101 -10.269 1.00 74.13 H new ATOM 0 HG2 ARG A 14 -2.162 31.449 -8.069 1.00 11.54 H new ATOM 0 HG3 ARG A 14 -0.652 30.806 -8.684 1.00 11.54 H new ATOM 0 HD2 ARG A 14 -0.578 32.622 -10.388 1.00 4.42 H new ATOM 0 HD3 ARG A 14 -2.081 33.268 -9.760 1.00 4.42 H new ATOM 0 HE ARG A 14 -0.296 33.096 -7.571 1.00 14.12 H new ATOM 0 HH11 ARG A 14 -0.563 34.761 -10.670 1.00 22.45 H new ATOM 0 HH12 ARG A 14 0.330 36.182 -10.119 1.00 22.45 H new ATOM 0 HH21 ARG A 14 0.846 34.934 -6.862 1.00 22.14 H new ATOM 0 HH22 ARG A 14 1.125 36.280 -7.973 1.00 22.14 H new ATOM 210 N GLU A 15 -0.830 28.348 -8.231 1.00 13.04 N ATOM 211 CA GLU A 15 0.374 27.585 -7.966 1.00 15.15 C ATOM 212 C GLU A 15 0.046 26.313 -7.196 1.00 64.23 C ATOM 213 O GLU A 15 -0.359 26.353 -6.032 1.00 53.15 O ATOM 214 CB GLU A 15 1.406 28.422 -7.207 1.00 31.12 C ATOM 215 CG GLU A 15 2.728 27.700 -7.015 1.00 63.35 C ATOM 216 CD GLU A 15 3.800 28.580 -6.414 1.00 63.13 C ATOM 217 OE1 GLU A 15 4.443 29.335 -7.170 1.00 2.14 O ATOM 218 OE2 GLU A 15 4.019 28.504 -5.187 1.00 41.31 O ATOM 0 H GLU A 15 -1.156 28.916 -7.449 1.00 13.04 H new ATOM 0 HA GLU A 15 0.809 27.306 -8.926 1.00 15.15 H new ATOM 0 HB2 GLU A 15 1.581 29.352 -7.748 1.00 31.12 H new ATOM 0 HB3 GLU A 15 1.001 28.692 -6.232 1.00 31.12 H new ATOM 0 HG2 GLU A 15 2.573 26.835 -6.371 1.00 63.35 H new ATOM 0 HG3 GLU A 15 3.073 27.323 -7.978 1.00 63.35 H new ATOM 225 N ASN A 16 0.182 25.197 -7.889 1.00 63.40 N ATOM 226 CA ASN A 16 0.011 23.869 -7.316 1.00 50.34 C ATOM 227 C ASN A 16 0.701 22.872 -8.233 1.00 64.40 C ATOM 228 O ASN A 16 0.311 21.710 -8.346 1.00 35.31 O ATOM 229 CB ASN A 16 -1.482 23.529 -7.155 1.00 41.54 C ATOM 230 CG ASN A 16 -2.262 23.617 -8.461 1.00 32.25 C ATOM 231 OD1 ASN A 16 -2.353 22.644 -9.212 1.00 64.20 O ATOM 232 ND2 ASN A 16 -2.849 24.777 -8.735 1.00 72.14 N ATOM 0 H ASN A 16 0.418 25.185 -8.881 1.00 63.40 H new ATOM 0 HA ASN A 16 0.455 23.830 -6.321 1.00 50.34 H new ATOM 0 HB2 ASN A 16 -1.577 22.522 -6.750 1.00 41.54 H new ATOM 0 HB3 ASN A 16 -1.926 24.208 -6.427 1.00 41.54 H new ATOM 0 HD21 ASN A 16 -3.396 24.883 -9.590 1.00 72.14 H new ATOM 0 HD22 ASN A 16 -2.753 25.562 -8.091 1.00 72.14 H new ATOM 239 N LEU A 17 1.766 23.351 -8.864 1.00 60.03 N ATOM 240 CA LEU A 17 2.446 22.617 -9.917 1.00 53.32 C ATOM 241 C LEU A 17 3.355 21.534 -9.354 1.00 24.42 C ATOM 242 O LEU A 17 4.443 21.814 -8.850 1.00 63.04 O ATOM 243 CB LEU A 17 3.259 23.582 -10.782 1.00 52.00 C ATOM 244 CG LEU A 17 2.465 24.733 -11.402 1.00 32.42 C ATOM 245 CD1 LEU A 17 3.393 25.654 -12.174 1.00 32.54 C ATOM 246 CD2 LEU A 17 1.365 24.202 -12.311 1.00 12.25 C ATOM 0 H LEU A 17 2.181 24.260 -8.658 1.00 60.03 H new ATOM 0 HA LEU A 17 1.686 22.128 -10.526 1.00 53.32 H new ATOM 0 HB2 LEU A 17 4.060 24.002 -10.174 1.00 52.00 H new ATOM 0 HB3 LEU A 17 3.731 23.015 -11.584 1.00 52.00 H new ATOM 0 HG LEU A 17 1.997 25.301 -10.598 1.00 32.42 H new ATOM 0 HD11 LEU A 17 2.816 26.469 -12.611 1.00 32.54 H new ATOM 0 HD12 LEU A 17 4.145 26.063 -11.499 1.00 32.54 H new ATOM 0 HD13 LEU A 17 3.885 25.092 -12.968 1.00 32.54 H new ATOM 0 HD21 LEU A 17 0.813 25.038 -12.741 1.00 12.25 H new ATOM 0 HD22 LEU A 17 1.809 23.610 -13.111 1.00 12.25 H new ATOM 0 HD23 LEU A 17 0.685 23.577 -11.732 1.00 12.25 H new ATOM 258 N TYR A 18 2.883 20.304 -9.416 1.00 3.34 N ATOM 259 CA TYR A 18 3.697 19.156 -9.076 1.00 22.20 C ATOM 260 C TYR A 18 3.750 18.225 -10.276 1.00 12.04 C ATOM 261 O TYR A 18 2.748 18.040 -10.963 1.00 43.41 O ATOM 262 CB TYR A 18 3.153 18.452 -7.829 1.00 0.24 C ATOM 263 CG TYR A 18 3.296 19.294 -6.575 1.00 73.13 C ATOM 264 CD1 TYR A 18 4.482 19.294 -5.847 1.00 0.15 C ATOM 265 CD2 TYR A 18 2.258 20.110 -6.136 1.00 30.33 C ATOM 266 CE1 TYR A 18 4.628 20.081 -4.720 1.00 51.14 C ATOM 267 CE2 TYR A 18 2.394 20.895 -5.006 1.00 42.23 C ATOM 268 CZ TYR A 18 3.582 20.879 -4.302 1.00 0.01 C ATOM 269 OH TYR A 18 3.728 21.676 -3.188 1.00 21.11 O ATOM 0 H TYR A 18 1.931 20.074 -9.702 1.00 3.34 H new ATOM 0 HA TYR A 18 4.710 19.477 -8.834 1.00 22.20 H new ATOM 0 HB2 TYR A 18 2.101 18.211 -7.982 1.00 0.24 H new ATOM 0 HB3 TYR A 18 3.680 17.508 -7.690 1.00 0.24 H new ATOM 0 HD1 TYR A 18 5.302 18.669 -6.168 1.00 0.15 H new ATOM 0 HD2 TYR A 18 1.330 20.131 -6.688 1.00 30.33 H new ATOM 0 HE1 TYR A 18 5.557 20.072 -4.169 1.00 51.14 H new ATOM 0 HE2 TYR A 18 1.576 21.517 -4.676 1.00 42.23 H new ATOM 0 HH TYR A 18 2.899 22.175 -3.032 1.00 21.11 H new ATOM 279 N PHE A 19 4.923 17.668 -10.533 1.00 45.42 N ATOM 280 CA PHE A 19 5.180 16.955 -11.781 1.00 43.13 C ATOM 281 C PHE A 19 4.368 15.665 -11.870 1.00 65.32 C ATOM 282 O PHE A 19 3.751 15.377 -12.896 1.00 62.24 O ATOM 283 CB PHE A 19 6.676 16.653 -11.909 1.00 30.53 C ATOM 284 CG PHE A 19 7.547 17.843 -11.624 1.00 62.21 C ATOM 285 CD1 PHE A 19 7.529 18.953 -12.460 1.00 70.14 C ATOM 286 CD2 PHE A 19 8.376 17.858 -10.512 1.00 24.41 C ATOM 287 CE1 PHE A 19 8.323 20.050 -12.190 1.00 72.11 C ATOM 288 CE2 PHE A 19 9.172 18.955 -10.240 1.00 65.31 C ATOM 289 CZ PHE A 19 9.146 20.051 -11.078 1.00 30.01 C ATOM 0 H PHE A 19 5.717 17.695 -9.893 1.00 45.42 H new ATOM 0 HA PHE A 19 4.869 17.596 -12.606 1.00 43.13 H new ATOM 0 HB2 PHE A 19 6.937 15.847 -11.223 1.00 30.53 H new ATOM 0 HB3 PHE A 19 6.882 16.293 -12.917 1.00 30.53 H new ATOM 0 HD1 PHE A 19 6.888 18.958 -13.329 1.00 70.14 H new ATOM 0 HD2 PHE A 19 8.400 17.004 -9.852 1.00 24.41 H new ATOM 0 HE1 PHE A 19 8.302 20.907 -12.847 1.00 72.11 H new ATOM 0 HE2 PHE A 19 9.814 18.954 -9.372 1.00 65.31 H new ATOM 0 HZ PHE A 19 9.767 20.909 -10.866 1.00 30.01 H new ATOM 299 N GLN A 20 4.370 14.899 -10.792 1.00 12.33 N ATOM 300 CA GLN A 20 3.642 13.640 -10.749 1.00 61.21 C ATOM 301 C GLN A 20 2.393 13.798 -9.885 1.00 23.11 C ATOM 302 O GLN A 20 2.464 13.769 -8.658 1.00 33.11 O ATOM 303 CB GLN A 20 4.552 12.534 -10.207 1.00 52.30 C ATOM 304 CG GLN A 20 4.331 11.180 -10.857 1.00 0.53 C ATOM 305 CD GLN A 20 2.975 10.583 -10.550 1.00 73.41 C ATOM 306 OE1 GLN A 20 2.001 10.810 -11.266 1.00 42.44 O ATOM 307 NE2 GLN A 20 2.904 9.827 -9.471 1.00 22.44 N ATOM 0 H GLN A 20 4.869 15.127 -9.932 1.00 12.33 H new ATOM 0 HA GLN A 20 3.329 13.361 -11.755 1.00 61.21 H new ATOM 0 HB2 GLN A 20 5.591 12.829 -10.351 1.00 52.30 H new ATOM 0 HB3 GLN A 20 4.393 12.440 -9.133 1.00 52.30 H new ATOM 0 HG2 GLN A 20 4.440 11.281 -11.937 1.00 0.53 H new ATOM 0 HG3 GLN A 20 5.107 10.493 -10.521 1.00 0.53 H new ATOM 0 HE21 GLN A 20 3.738 9.665 -8.906 1.00 22.44 H new ATOM 0 HE22 GLN A 20 2.016 9.404 -9.202 1.00 22.44 H new ATOM 316 N GLY A 21 1.248 13.971 -10.531 1.00 24.24 N ATOM 317 CA GLY A 21 0.032 14.276 -9.803 1.00 62.10 C ATOM 318 C GLY A 21 -0.832 13.060 -9.531 1.00 31.12 C ATOM 319 O GLY A 21 -1.904 13.179 -8.938 1.00 52.22 O ATOM 0 H GLY A 21 1.139 13.906 -11.543 1.00 24.24 H new ATOM 0 HA2 GLY A 21 0.294 14.745 -8.855 1.00 62.10 H new ATOM 0 HA3 GLY A 21 -0.548 15.004 -10.370 1.00 62.10 H new ATOM 323 N HIS A 22 -0.372 11.888 -9.945 1.00 65.51 N ATOM 324 CA HIS A 22 -1.155 10.667 -9.773 1.00 23.11 C ATOM 325 C HIS A 22 -0.699 9.907 -8.525 1.00 20.41 C ATOM 326 O HIS A 22 -1.110 8.770 -8.298 1.00 64.33 O ATOM 327 CB HIS A 22 -1.043 9.782 -11.027 1.00 52.04 C ATOM 328 CG HIS A 22 -2.027 8.646 -11.073 1.00 14.21 C ATOM 329 ND1 HIS A 22 -3.344 8.805 -11.450 1.00 20.32 N ATOM 330 CD2 HIS A 22 -1.880 7.329 -10.784 1.00 3.14 C ATOM 331 CE1 HIS A 22 -3.960 7.639 -11.384 1.00 52.44 C ATOM 332 NE2 HIS A 22 -3.096 6.730 -10.984 1.00 34.11 N ATOM 0 H HIS A 22 0.532 11.754 -10.399 1.00 65.51 H new ATOM 0 HA HIS A 22 -2.202 10.939 -9.638 1.00 23.11 H new ATOM 0 HB2 HIS A 22 -1.183 10.405 -11.911 1.00 52.04 H new ATOM 0 HB3 HIS A 22 -0.033 9.375 -11.081 1.00 52.04 H new ATOM 0 HD2 HIS A 22 -0.973 6.843 -10.457 1.00 3.14 H new ATOM 0 HE1 HIS A 22 -4.999 7.461 -11.619 1.00 52.44 H new ATOM 0 HE2 HIS A 22 -3.299 5.740 -10.845 1.00 34.11 H new ATOM 341 N LEU A 23 0.136 10.562 -7.713 1.00 65.50 N ATOM 342 CA LEU A 23 0.637 9.991 -6.454 1.00 62.33 C ATOM 343 C LEU A 23 1.641 8.864 -6.709 1.00 54.15 C ATOM 344 O LEU A 23 1.562 8.156 -7.713 1.00 3.42 O ATOM 345 CB LEU A 23 -0.514 9.494 -5.557 1.00 62.54 C ATOM 346 CG LEU A 23 -1.323 10.584 -4.838 1.00 4.10 C ATOM 347 CD1 LEU A 23 -2.150 11.406 -5.817 1.00 72.11 C ATOM 348 CD2 LEU A 23 -2.222 9.964 -3.781 1.00 13.42 C ATOM 0 H LEU A 23 0.484 11.501 -7.907 1.00 65.50 H new ATOM 0 HA LEU A 23 1.153 10.793 -5.926 1.00 62.33 H new ATOM 0 HB2 LEU A 23 -1.198 8.906 -6.169 1.00 62.54 H new ATOM 0 HB3 LEU A 23 -0.099 8.822 -4.806 1.00 62.54 H new ATOM 0 HG LEU A 23 -0.615 11.257 -4.354 1.00 4.10 H new ATOM 0 HD11 LEU A 23 -2.709 12.167 -5.272 1.00 72.11 H new ATOM 0 HD12 LEU A 23 -1.489 11.888 -6.537 1.00 72.11 H new ATOM 0 HD13 LEU A 23 -2.846 10.753 -6.344 1.00 72.11 H new ATOM 0 HD21 LEU A 23 -2.789 10.749 -3.280 1.00 13.42 H new ATOM 0 HD22 LEU A 23 -2.911 9.264 -4.254 1.00 13.42 H new ATOM 0 HD23 LEU A 23 -1.612 9.434 -3.050 1.00 13.42 H new ATOM 360 N ARG A 24 2.598 8.713 -5.802 1.00 61.12 N ATOM 361 CA ARG A 24 3.648 7.711 -5.958 1.00 60.41 C ATOM 362 C ARG A 24 3.495 6.586 -4.945 1.00 63.54 C ATOM 363 O ARG A 24 3.078 6.812 -3.808 1.00 12.32 O ATOM 364 CB ARG A 24 5.032 8.350 -5.830 1.00 64.14 C ATOM 365 CG ARG A 24 5.473 9.089 -7.083 1.00 3.04 C ATOM 366 CD ARG A 24 6.870 9.671 -6.931 1.00 20.15 C ATOM 367 NE ARG A 24 6.885 10.868 -6.091 1.00 25.24 N ATOM 368 CZ ARG A 24 7.837 11.143 -5.197 1.00 31.13 C ATOM 369 NH1 ARG A 24 8.809 10.265 -4.950 1.00 64.43 N ATOM 370 NH2 ARG A 24 7.805 12.295 -4.540 1.00 70.42 N ATOM 0 H ARG A 24 2.670 9.271 -4.951 1.00 61.12 H new ATOM 0 HA ARG A 24 3.549 7.286 -6.957 1.00 60.41 H new ATOM 0 HB2 ARG A 24 5.027 9.045 -4.990 1.00 64.14 H new ATOM 0 HB3 ARG A 24 5.762 7.575 -5.598 1.00 64.14 H new ATOM 0 HG2 ARG A 24 5.453 8.407 -7.933 1.00 3.04 H new ATOM 0 HG3 ARG A 24 4.767 9.890 -7.300 1.00 3.04 H new ATOM 0 HD2 ARG A 24 7.529 8.918 -6.499 1.00 20.15 H new ATOM 0 HD3 ARG A 24 7.268 9.916 -7.916 1.00 20.15 H new ATOM 0 HE ARG A 24 6.120 11.535 -6.195 1.00 25.24 H new ATOM 0 HH11 ARG A 24 8.830 9.374 -5.446 1.00 64.43 H new ATOM 0 HH12 ARG A 24 9.532 10.484 -4.265 1.00 64.43 H new ATOM 0 HH21 ARG A 24 7.056 12.964 -4.720 1.00 70.42 H new ATOM 0 HH22 ARG A 24 8.529 12.512 -3.855 1.00 70.42 H new ATOM 384 N GLU A 25 3.846 5.376 -5.371 1.00 30.11 N ATOM 385 CA GLU A 25 3.729 4.186 -4.534 1.00 33.00 C ATOM 386 C GLU A 25 4.774 4.228 -3.424 1.00 3.53 C ATOM 387 O GLU A 25 5.973 4.121 -3.684 1.00 54.33 O ATOM 388 CB GLU A 25 3.899 2.930 -5.398 1.00 34.40 C ATOM 389 CG GLU A 25 3.584 1.623 -4.684 1.00 25.20 C ATOM 390 CD GLU A 25 3.619 0.432 -5.623 1.00 1.31 C ATOM 391 OE1 GLU A 25 2.686 0.299 -6.444 1.00 43.52 O ATOM 392 OE2 GLU A 25 4.573 -0.371 -5.552 1.00 70.04 O ATOM 0 H GLU A 25 4.218 5.193 -6.303 1.00 30.11 H new ATOM 0 HA GLU A 25 2.742 4.159 -4.073 1.00 33.00 H new ATOM 0 HB2 GLU A 25 3.254 3.016 -6.272 1.00 34.40 H new ATOM 0 HB3 GLU A 25 4.926 2.892 -5.762 1.00 34.40 H new ATOM 0 HG2 GLU A 25 4.302 1.469 -3.879 1.00 25.20 H new ATOM 0 HG3 GLU A 25 2.598 1.691 -4.224 1.00 25.20 H new ATOM 399 N LEU A 26 4.314 4.404 -2.193 1.00 40.43 N ATOM 400 CA LEU A 26 5.214 4.570 -1.065 1.00 24.23 C ATOM 401 C LEU A 26 5.391 3.266 -0.301 1.00 24.42 C ATOM 402 O LEU A 26 6.485 2.955 0.167 1.00 50.24 O ATOM 403 CB LEU A 26 4.696 5.662 -0.127 1.00 12.12 C ATOM 404 CG LEU A 26 5.561 5.921 1.109 1.00 22.34 C ATOM 405 CD1 LEU A 26 6.968 6.327 0.703 1.00 3.11 C ATOM 406 CD2 LEU A 26 4.929 6.993 1.979 1.00 2.41 C ATOM 0 H LEU A 26 3.323 4.435 -1.952 1.00 40.43 H new ATOM 0 HA LEU A 26 6.187 4.868 -1.456 1.00 24.23 H new ATOM 0 HB2 LEU A 26 4.607 6.591 -0.690 1.00 12.12 H new ATOM 0 HB3 LEU A 26 3.693 5.391 0.201 1.00 12.12 H new ATOM 0 HG LEU A 26 5.625 4.998 1.685 1.00 22.34 H new ATOM 0 HD11 LEU A 26 7.567 6.507 1.596 1.00 3.11 H new ATOM 0 HD12 LEU A 26 7.422 5.529 0.116 1.00 3.11 H new ATOM 0 HD13 LEU A 26 6.926 7.238 0.105 1.00 3.11 H new ATOM 0 HD21 LEU A 26 5.555 7.167 2.854 1.00 2.41 H new ATOM 0 HD22 LEU A 26 4.838 7.917 1.409 1.00 2.41 H new ATOM 0 HD23 LEU A 26 3.940 6.665 2.299 1.00 2.41 H new ATOM 418 N LEU A 27 4.321 2.503 -0.165 1.00 53.14 N ATOM 419 CA LEU A 27 4.396 1.233 0.537 1.00 13.14 C ATOM 420 C LEU A 27 3.516 0.193 -0.134 1.00 64.43 C ATOM 421 O LEU A 27 2.477 0.513 -0.715 1.00 13.41 O ATOM 422 CB LEU A 27 4.028 1.371 2.024 1.00 22.33 C ATOM 423 CG LEU A 27 2.665 1.992 2.334 1.00 5.31 C ATOM 424 CD1 LEU A 27 2.171 1.513 3.692 1.00 74.40 C ATOM 425 CD2 LEU A 27 2.755 3.512 2.324 1.00 60.53 C ATOM 0 H LEU A 27 3.397 2.737 -0.528 1.00 53.14 H new ATOM 0 HA LEU A 27 5.433 0.901 0.487 1.00 13.14 H new ATOM 0 HB2 LEU A 27 4.063 0.380 2.478 1.00 22.33 H new ATOM 0 HB3 LEU A 27 4.796 1.972 2.511 1.00 22.33 H new ATOM 0 HG LEU A 27 1.960 1.679 1.564 1.00 5.31 H new ATOM 0 HD11 LEU A 27 1.200 1.960 3.904 1.00 74.40 H new ATOM 0 HD12 LEU A 27 2.076 0.427 3.682 1.00 74.40 H new ATOM 0 HD13 LEU A 27 2.883 1.808 4.463 1.00 74.40 H new ATOM 0 HD21 LEU A 27 1.776 3.936 2.547 1.00 60.53 H new ATOM 0 HD22 LEU A 27 3.472 3.839 3.077 1.00 60.53 H new ATOM 0 HD23 LEU A 27 3.082 3.851 1.341 1.00 60.53 H new ATOM 437 N ARG A 28 3.944 -1.053 -0.043 1.00 63.25 N ATOM 438 CA ARG A 28 3.280 -2.152 -0.719 1.00 20.40 C ATOM 439 C ARG A 28 3.225 -3.352 0.216 1.00 3.44 C ATOM 440 O ARG A 28 4.239 -4.014 0.446 1.00 11.11 O ATOM 441 CB ARG A 28 4.057 -2.481 -1.994 1.00 1.53 C ATOM 442 CG ARG A 28 3.342 -3.391 -2.967 1.00 33.33 C ATOM 443 CD ARG A 28 4.128 -3.476 -4.266 1.00 3.24 C ATOM 444 NE ARG A 28 3.470 -4.289 -5.281 1.00 33.44 N ATOM 445 CZ ARG A 28 3.362 -3.929 -6.557 1.00 71.32 C ATOM 446 NH1 ARG A 28 3.748 -2.715 -6.946 1.00 63.45 N ATOM 447 NH2 ARG A 28 2.839 -4.773 -7.437 1.00 15.04 N ATOM 0 H ARG A 28 4.761 -1.331 0.501 1.00 63.25 H new ATOM 0 HA ARG A 28 2.259 -1.882 -0.989 1.00 20.40 H new ATOM 0 HB2 ARG A 28 4.299 -1.548 -2.504 1.00 1.53 H new ATOM 0 HB3 ARG A 28 5.003 -2.946 -1.714 1.00 1.53 H new ATOM 0 HG2 ARG A 28 3.229 -4.385 -2.534 1.00 33.33 H new ATOM 0 HG3 ARG A 28 2.339 -3.013 -3.163 1.00 33.33 H new ATOM 0 HD2 ARG A 28 4.281 -2.470 -4.658 1.00 3.24 H new ATOM 0 HD3 ARG A 28 5.115 -3.891 -4.060 1.00 3.24 H new ATOM 0 HE ARG A 28 3.070 -5.183 -4.997 1.00 33.44 H new ATOM 0 HH11 ARG A 28 4.128 -2.058 -6.265 1.00 63.45 H new ATOM 0 HH12 ARG A 28 3.664 -2.442 -7.925 1.00 63.45 H new ATOM 0 HH21 ARG A 28 2.522 -5.694 -7.134 1.00 15.04 H new ATOM 0 HH22 ARG A 28 2.754 -4.501 -8.416 1.00 15.04 H new ATOM 461 N THR A 29 2.054 -3.618 0.775 1.00 41.41 N ATOM 462 CA THR A 29 1.943 -4.610 1.833 1.00 54.45 C ATOM 463 C THR A 29 0.979 -5.737 1.464 1.00 33.24 C ATOM 464 O THR A 29 0.322 -5.706 0.419 1.00 22.31 O ATOM 465 CB THR A 29 1.494 -3.954 3.159 1.00 63.32 C ATOM 466 OG1 THR A 29 1.589 -4.898 4.236 1.00 52.15 O ATOM 467 CG2 THR A 29 0.068 -3.436 3.058 1.00 5.30 C ATOM 0 H THR A 29 1.176 -3.166 0.517 1.00 41.41 H new ATOM 0 HA THR A 29 2.935 -5.043 1.963 1.00 54.45 H new ATOM 0 HB THR A 29 2.155 -3.110 3.357 1.00 63.32 H new ATOM 0 HG1 THR A 29 2.483 -5.299 4.241 1.00 52.15 H new ATOM 0 HG21 THR A 29 -0.221 -2.980 4.005 1.00 5.30 H new ATOM 0 HG22 THR A 29 0.006 -2.693 2.263 1.00 5.30 H new ATOM 0 HG23 THR A 29 -0.605 -4.264 2.834 1.00 5.30 H new ATOM 475 N ASN A 30 0.899 -6.717 2.349 1.00 11.23 N ATOM 476 CA ASN A 30 0.102 -7.913 2.132 1.00 50.22 C ATOM 477 C ASN A 30 -0.788 -8.191 3.340 1.00 71.02 C ATOM 478 O ASN A 30 -1.303 -9.301 3.508 1.00 42.40 O ATOM 479 CB ASN A 30 1.029 -9.109 1.883 1.00 72.23 C ATOM 480 CG ASN A 30 2.051 -9.297 2.993 1.00 54.45 C ATOM 481 OD1 ASN A 30 1.793 -9.975 3.984 1.00 43.35 O ATOM 482 ND2 ASN A 30 3.224 -8.699 2.832 1.00 51.51 N ATOM 0 H ASN A 30 1.388 -6.705 3.244 1.00 11.23 H new ATOM 0 HA ASN A 30 -0.535 -7.757 1.261 1.00 50.22 H new ATOM 0 HB2 ASN A 30 0.430 -10.015 1.788 1.00 72.23 H new ATOM 0 HB3 ASN A 30 1.549 -8.970 0.935 1.00 72.23 H new ATOM 0 HD21 ASN A 30 3.947 -8.795 3.545 1.00 51.51 H new ATOM 0 HD22 ASN A 30 3.403 -8.144 1.995 1.00 51.51 H new ATOM 489 N ASP A 31 -0.975 -7.178 4.179 1.00 40.51 N ATOM 490 CA ASP A 31 -1.755 -7.342 5.400 1.00 35.32 C ATOM 491 C ASP A 31 -2.834 -6.272 5.514 1.00 30.42 C ATOM 492 O ASP A 31 -2.548 -5.077 5.440 1.00 63.25 O ATOM 493 CB ASP A 31 -0.842 -7.295 6.624 1.00 72.31 C ATOM 494 CG ASP A 31 -1.595 -7.579 7.900 1.00 42.32 C ATOM 495 OD1 ASP A 31 -1.881 -8.765 8.165 1.00 60.45 O ATOM 496 OD2 ASP A 31 -1.906 -6.626 8.638 1.00 4.32 O ATOM 0 H ASP A 31 -0.600 -6.240 4.037 1.00 40.51 H new ATOM 0 HA ASP A 31 -2.244 -8.315 5.356 1.00 35.32 H new ATOM 0 HB2 ASP A 31 -0.040 -8.023 6.506 1.00 72.31 H new ATOM 0 HB3 ASP A 31 -0.374 -6.313 6.690 1.00 72.31 H new ATOM 501 N ALA A 32 -4.074 -6.711 5.708 1.00 61.20 N ATOM 502 CA ALA A 32 -5.213 -5.803 5.777 1.00 52.33 C ATOM 503 C ALA A 32 -5.284 -5.089 7.124 1.00 71.30 C ATOM 504 O ALA A 32 -5.820 -3.980 7.223 1.00 5.14 O ATOM 505 CB ALA A 32 -6.504 -6.562 5.520 1.00 62.10 C ATOM 0 H ALA A 32 -4.316 -7.696 5.821 1.00 61.20 H new ATOM 0 HA ALA A 32 -5.080 -5.045 5.005 1.00 52.33 H new ATOM 0 HB1 ALA A 32 -7.348 -5.874 5.574 1.00 62.10 H new ATOM 0 HB2 ALA A 32 -6.468 -7.015 4.529 1.00 62.10 H new ATOM 0 HB3 ALA A 32 -6.623 -7.342 6.272 1.00 62.10 H new ATOM 511 N VAL A 33 -4.737 -5.715 8.161 1.00 22.14 N ATOM 512 CA VAL A 33 -4.749 -5.123 9.496 1.00 11.32 C ATOM 513 C VAL A 33 -3.839 -3.900 9.528 1.00 42.24 C ATOM 514 O VAL A 33 -4.215 -2.839 10.035 1.00 14.40 O ATOM 515 CB VAL A 33 -4.301 -6.137 10.574 1.00 70.34 C ATOM 516 CG1 VAL A 33 -4.377 -5.520 11.969 1.00 12.14 C ATOM 517 CG2 VAL A 33 -5.145 -7.402 10.494 1.00 31.35 C ATOM 0 H VAL A 33 -4.282 -6.626 8.105 1.00 22.14 H new ATOM 0 HA VAL A 33 -5.774 -4.826 9.720 1.00 11.32 H new ATOM 0 HB VAL A 33 -3.261 -6.403 10.384 1.00 70.34 H new ATOM 0 HG11 VAL A 33 -4.057 -6.253 12.709 1.00 12.14 H new ATOM 0 HG12 VAL A 33 -3.725 -4.648 12.017 1.00 12.14 H new ATOM 0 HG13 VAL A 33 -5.403 -5.218 12.178 1.00 12.14 H new ATOM 0 HG21 VAL A 33 -4.818 -8.106 11.259 1.00 31.35 H new ATOM 0 HG22 VAL A 33 -6.193 -7.151 10.656 1.00 31.35 H new ATOM 0 HG23 VAL A 33 -5.029 -7.855 9.510 1.00 31.35 H new ATOM 527 N LEU A 34 -2.646 -4.051 8.965 1.00 20.52 N ATOM 528 CA LEU A 34 -1.706 -2.947 8.839 1.00 3.31 C ATOM 529 C LEU A 34 -2.298 -1.844 7.963 1.00 22.54 C ATOM 530 O LEU A 34 -2.140 -0.657 8.248 1.00 60.23 O ATOM 531 CB LEU A 34 -0.381 -3.441 8.252 1.00 21.44 C ATOM 532 CG LEU A 34 0.716 -2.379 8.141 1.00 73.22 C ATOM 533 CD1 LEU A 34 1.051 -1.804 9.508 1.00 34.22 C ATOM 534 CD2 LEU A 34 1.957 -2.966 7.496 1.00 33.04 C ATOM 0 H LEU A 34 -2.306 -4.935 8.586 1.00 20.52 H new ATOM 0 HA LEU A 34 -1.515 -2.537 9.831 1.00 3.31 H new ATOM 0 HB2 LEU A 34 -0.011 -4.260 8.869 1.00 21.44 H new ATOM 0 HB3 LEU A 34 -0.571 -3.850 7.260 1.00 21.44 H new ATOM 0 HG LEU A 34 0.345 -1.570 7.512 1.00 73.22 H new ATOM 0 HD11 LEU A 34 1.833 -1.052 9.405 1.00 34.22 H new ATOM 0 HD12 LEU A 34 0.161 -1.345 9.938 1.00 34.22 H new ATOM 0 HD13 LEU A 34 1.400 -2.602 10.163 1.00 34.22 H new ATOM 0 HD21 LEU A 34 2.728 -2.198 7.424 1.00 33.04 H new ATOM 0 HD22 LEU A 34 2.325 -3.794 8.102 1.00 33.04 H new ATOM 0 HD23 LEU A 34 1.712 -3.328 6.498 1.00 33.04 H new ATOM 546 N LEU A 35 -3.000 -2.251 6.910 1.00 15.13 N ATOM 547 CA LEU A 35 -3.680 -1.307 6.026 1.00 42.34 C ATOM 548 C LEU A 35 -4.681 -0.453 6.794 1.00 21.31 C ATOM 549 O LEU A 35 -4.827 0.740 6.525 1.00 74.21 O ATOM 550 CB LEU A 35 -4.399 -2.051 4.903 1.00 41.34 C ATOM 551 CG LEU A 35 -3.492 -2.632 3.822 1.00 51.24 C ATOM 552 CD1 LEU A 35 -4.274 -3.579 2.928 1.00 1.21 C ATOM 553 CD2 LEU A 35 -2.876 -1.512 2.993 1.00 1.42 C ATOM 0 H LEU A 35 -3.114 -3.230 6.647 1.00 15.13 H new ATOM 0 HA LEU A 35 -2.922 -0.651 5.598 1.00 42.34 H new ATOM 0 HB2 LEU A 35 -4.981 -2.862 5.341 1.00 41.34 H new ATOM 0 HB3 LEU A 35 -5.107 -1.369 4.432 1.00 41.34 H new ATOM 0 HG LEU A 35 -2.691 -3.192 4.304 1.00 51.24 H new ATOM 0 HD11 LEU A 35 -3.613 -3.985 2.162 1.00 1.21 H new ATOM 0 HD12 LEU A 35 -4.679 -4.394 3.528 1.00 1.21 H new ATOM 0 HD13 LEU A 35 -5.092 -3.038 2.452 1.00 1.21 H new ATOM 0 HD21 LEU A 35 -2.231 -1.940 2.225 1.00 1.42 H new ATOM 0 HD22 LEU A 35 -3.668 -0.932 2.520 1.00 1.42 H new ATOM 0 HD23 LEU A 35 -2.287 -0.862 3.640 1.00 1.42 H new ATOM 565 N SER A 36 -5.355 -1.066 7.757 1.00 40.43 N ATOM 566 CA SER A 36 -6.334 -0.368 8.574 1.00 14.05 C ATOM 567 C SER A 36 -5.649 0.711 9.417 1.00 23.02 C ATOM 568 O SER A 36 -6.188 1.801 9.611 1.00 51.53 O ATOM 569 CB SER A 36 -7.068 -1.366 9.473 1.00 43.21 C ATOM 570 OG SER A 36 -7.641 -2.423 8.710 1.00 44.11 O ATOM 0 H SER A 36 -5.239 -2.052 7.992 1.00 40.43 H new ATOM 0 HA SER A 36 -7.061 0.116 7.922 1.00 14.05 H new ATOM 0 HB2 SER A 36 -6.374 -1.778 10.206 1.00 43.21 H new ATOM 0 HB3 SER A 36 -7.851 -0.850 10.030 1.00 43.21 H new ATOM 0 HG SER A 36 -6.927 -2.970 8.320 1.00 44.11 H new ATOM 576 N ALA A 37 -4.444 0.404 9.890 1.00 4.42 N ATOM 577 CA ALA A 37 -3.677 1.340 10.702 1.00 33.44 C ATOM 578 C ALA A 37 -3.109 2.470 9.848 1.00 65.41 C ATOM 579 O ALA A 37 -3.338 3.647 10.130 1.00 62.43 O ATOM 580 CB ALA A 37 -2.555 0.615 11.434 1.00 10.21 C ATOM 0 H ALA A 37 -3.978 -0.488 9.724 1.00 4.42 H new ATOM 0 HA ALA A 37 -4.351 1.777 11.438 1.00 33.44 H new ATOM 0 HB1 ALA A 37 -1.992 1.329 12.036 1.00 10.21 H new ATOM 0 HB2 ALA A 37 -2.979 -0.151 12.083 1.00 10.21 H new ATOM 0 HB3 ALA A 37 -1.889 0.148 10.708 1.00 10.21 H new ATOM 586 N VAL A 38 -2.384 2.104 8.795 1.00 13.15 N ATOM 587 CA VAL A 38 -1.752 3.080 7.907 1.00 73.50 C ATOM 588 C VAL A 38 -2.796 3.985 7.253 1.00 61.02 C ATOM 589 O VAL A 38 -2.585 5.193 7.108 1.00 43.34 O ATOM 590 CB VAL A 38 -0.922 2.378 6.806 1.00 2.05 C ATOM 591 CG1 VAL A 38 -0.296 3.393 5.861 1.00 51.53 C ATOM 592 CG2 VAL A 38 0.148 1.496 7.430 1.00 30.35 C ATOM 0 H VAL A 38 -2.218 1.132 8.533 1.00 13.15 H new ATOM 0 HA VAL A 38 -1.087 3.688 8.520 1.00 73.50 H new ATOM 0 HB VAL A 38 -1.595 1.749 6.223 1.00 2.05 H new ATOM 0 HG11 VAL A 38 0.281 2.872 5.098 1.00 51.53 H new ATOM 0 HG12 VAL A 38 -1.082 3.979 5.384 1.00 51.53 H new ATOM 0 HG13 VAL A 38 0.361 4.056 6.423 1.00 51.53 H new ATOM 0 HG21 VAL A 38 0.723 1.009 6.642 1.00 30.35 H new ATOM 0 HG22 VAL A 38 0.813 2.107 8.040 1.00 30.35 H new ATOM 0 HG23 VAL A 38 -0.324 0.738 8.055 1.00 30.35 H new ATOM 602 N GLY A 39 -3.927 3.394 6.887 1.00 42.33 N ATOM 603 CA GLY A 39 -4.994 4.140 6.249 1.00 43.24 C ATOM 604 C GLY A 39 -5.520 5.252 7.130 1.00 54.14 C ATOM 605 O GLY A 39 -5.575 6.405 6.710 1.00 74.34 O ATOM 0 H GLY A 39 -4.125 2.403 7.022 1.00 42.33 H new ATOM 0 HA2 GLY A 39 -4.630 4.562 5.312 1.00 43.24 H new ATOM 0 HA3 GLY A 39 -5.809 3.462 5.997 1.00 43.24 H new ATOM 609 N ALA A 40 -5.868 4.910 8.368 1.00 10.42 N ATOM 610 CA ALA A 40 -6.401 5.883 9.315 1.00 1.51 C ATOM 611 C ALA A 40 -5.369 6.959 9.647 1.00 32.44 C ATOM 612 O ALA A 40 -5.724 8.107 9.919 1.00 22.42 O ATOM 613 CB ALA A 40 -6.859 5.184 10.585 1.00 32.41 C ATOM 0 H ALA A 40 -5.790 3.963 8.739 1.00 10.42 H new ATOM 0 HA ALA A 40 -7.256 6.371 8.848 1.00 1.51 H new ATOM 0 HB1 ALA A 40 -7.255 5.921 11.284 1.00 32.41 H new ATOM 0 HB2 ALA A 40 -7.637 4.460 10.342 1.00 32.41 H new ATOM 0 HB3 ALA A 40 -6.014 4.668 11.042 1.00 32.41 H new ATOM 619 N LEU A 41 -4.092 6.584 9.622 1.00 11.42 N ATOM 620 CA LEU A 41 -3.006 7.523 9.884 1.00 62.02 C ATOM 621 C LEU A 41 -2.937 8.582 8.797 1.00 1.03 C ATOM 622 O LEU A 41 -2.946 9.779 9.079 1.00 13.13 O ATOM 623 CB LEU A 41 -1.667 6.787 9.953 1.00 35.42 C ATOM 624 CG LEU A 41 -1.471 5.883 11.171 1.00 14.31 C ATOM 625 CD1 LEU A 41 -0.154 5.130 11.064 1.00 15.45 C ATOM 626 CD2 LEU A 41 -1.505 6.702 12.450 1.00 31.31 C ATOM 0 H LEU A 41 -3.784 5.632 9.422 1.00 11.42 H new ATOM 0 HA LEU A 41 -3.205 8.005 10.841 1.00 62.02 H new ATOM 0 HB2 LEU A 41 -1.559 6.182 9.053 1.00 35.42 H new ATOM 0 HB3 LEU A 41 -0.866 7.526 9.939 1.00 35.42 H new ATOM 0 HG LEU A 41 -2.286 5.160 11.199 1.00 14.31 H new ATOM 0 HD11 LEU A 41 -0.028 4.491 11.938 1.00 15.45 H new ATOM 0 HD12 LEU A 41 -0.158 4.516 10.163 1.00 15.45 H new ATOM 0 HD13 LEU A 41 0.669 5.842 11.014 1.00 15.45 H new ATOM 0 HD21 LEU A 41 -1.364 6.044 13.307 1.00 31.31 H new ATOM 0 HD22 LEU A 41 -0.708 7.445 12.428 1.00 31.31 H new ATOM 0 HD23 LEU A 41 -2.468 7.206 12.534 1.00 31.31 H new ATOM 638 N LEU A 42 -2.891 8.131 7.550 1.00 74.30 N ATOM 639 CA LEU A 42 -2.774 9.036 6.416 1.00 54.44 C ATOM 640 C LEU A 42 -4.066 9.816 6.219 1.00 25.12 C ATOM 641 O LEU A 42 -4.042 11.008 5.916 1.00 52.13 O ATOM 642 CB LEU A 42 -2.433 8.258 5.143 1.00 51.24 C ATOM 643 CG LEU A 42 -1.166 7.405 5.225 1.00 73.31 C ATOM 644 CD1 LEU A 42 -0.910 6.701 3.901 1.00 72.02 C ATOM 645 CD2 LEU A 42 0.029 8.259 5.608 1.00 24.33 C ATOM 0 H LEU A 42 -2.933 7.143 7.299 1.00 74.30 H new ATOM 0 HA LEU A 42 -1.968 9.740 6.624 1.00 54.44 H new ATOM 0 HB2 LEU A 42 -3.274 7.610 4.896 1.00 51.24 H new ATOM 0 HB3 LEU A 42 -2.324 8.966 4.321 1.00 51.24 H new ATOM 0 HG LEU A 42 -1.312 6.649 5.997 1.00 73.31 H new ATOM 0 HD11 LEU A 42 -0.005 6.099 3.978 1.00 72.02 H new ATOM 0 HD12 LEU A 42 -1.756 6.056 3.662 1.00 72.02 H new ATOM 0 HD13 LEU A 42 -0.786 7.443 3.112 1.00 72.02 H new ATOM 0 HD21 LEU A 42 0.921 7.634 5.661 1.00 24.33 H new ATOM 0 HD22 LEU A 42 0.175 9.037 4.859 1.00 24.33 H new ATOM 0 HD23 LEU A 42 -0.150 8.720 6.580 1.00 24.33 H new ATOM 657 N ASP A 43 -5.192 9.137 6.412 1.00 44.34 N ATOM 658 CA ASP A 43 -6.504 9.750 6.234 1.00 60.15 C ATOM 659 C ASP A 43 -6.747 10.806 7.306 1.00 51.35 C ATOM 660 O ASP A 43 -7.338 11.852 7.037 1.00 50.34 O ATOM 661 CB ASP A 43 -7.599 8.681 6.296 1.00 71.01 C ATOM 662 CG ASP A 43 -8.947 9.180 5.812 1.00 32.52 C ATOM 663 OD1 ASP A 43 -9.215 9.077 4.590 1.00 20.24 O ATOM 664 OD2 ASP A 43 -9.750 9.647 6.646 1.00 24.54 O ATOM 0 H ASP A 43 -5.222 8.157 6.693 1.00 44.34 H new ATOM 0 HA ASP A 43 -6.532 10.230 5.256 1.00 60.15 H new ATOM 0 HB2 ASP A 43 -7.297 7.825 5.692 1.00 71.01 H new ATOM 0 HB3 ASP A 43 -7.696 8.328 7.323 1.00 71.01 H new ATOM 669 N GLY A 44 -6.270 10.535 8.516 1.00 61.22 N ATOM 670 CA GLY A 44 -6.456 11.459 9.617 1.00 62.14 C ATOM 671 C GLY A 44 -5.491 12.628 9.581 1.00 64.11 C ATOM 672 O GLY A 44 -5.782 13.693 10.121 1.00 44.23 O ATOM 0 H GLY A 44 -5.755 9.687 8.754 1.00 61.22 H new ATOM 0 HA2 GLY A 44 -7.478 11.838 9.597 1.00 62.14 H new ATOM 0 HA3 GLY A 44 -6.333 10.923 10.558 1.00 62.14 H new ATOM 676 N ALA A 45 -4.347 12.444 8.931 1.00 74.12 N ATOM 677 CA ALA A 45 -3.327 13.483 8.876 1.00 51.11 C ATOM 678 C ALA A 45 -3.517 14.388 7.663 1.00 64.40 C ATOM 679 O ALA A 45 -2.675 15.246 7.388 1.00 41.21 O ATOM 680 CB ALA A 45 -1.945 12.853 8.852 1.00 62.34 C ATOM 0 H ALA A 45 -4.104 11.586 8.436 1.00 74.12 H new ATOM 0 HA ALA A 45 -3.425 14.100 9.769 1.00 51.11 H new ATOM 0 HB1 ALA A 45 -1.189 13.637 8.811 1.00 62.34 H new ATOM 0 HB2 ALA A 45 -1.801 12.257 9.753 1.00 62.34 H new ATOM 0 HB3 ALA A 45 -1.852 12.213 7.975 1.00 62.34 H new ATOM 686 N ASP A 46 -4.630 14.185 6.950 1.00 33.15 N ATOM 687 CA ASP A 46 -4.966 14.970 5.754 1.00 64.42 C ATOM 688 C ASP A 46 -3.978 14.668 4.623 1.00 14.20 C ATOM 689 O ASP A 46 -3.832 15.438 3.675 1.00 41.45 O ATOM 690 CB ASP A 46 -4.994 16.478 6.082 1.00 3.23 C ATOM 691 CG ASP A 46 -5.469 17.341 4.923 1.00 45.35 C ATOM 692 OD1 ASP A 46 -6.581 17.101 4.406 1.00 15.41 O ATOM 693 OD2 ASP A 46 -4.746 18.284 4.541 1.00 24.12 O ATOM 0 H ASP A 46 -5.323 13.474 7.184 1.00 33.15 H new ATOM 0 HA ASP A 46 -5.963 14.684 5.418 1.00 64.42 H new ATOM 0 HB2 ASP A 46 -5.646 16.643 6.939 1.00 3.23 H new ATOM 0 HB3 ASP A 46 -3.994 16.797 6.376 1.00 3.23 H new ATOM 698 N ILE A 47 -3.321 13.521 4.715 1.00 71.34 N ATOM 699 CA ILE A 47 -2.360 13.108 3.704 1.00 35.12 C ATOM 700 C ILE A 47 -3.078 12.450 2.530 1.00 24.42 C ATOM 701 O ILE A 47 -3.895 11.543 2.723 1.00 73.32 O ATOM 702 CB ILE A 47 -1.314 12.130 4.290 1.00 75.13 C ATOM 703 CG1 ILE A 47 -0.487 12.834 5.369 1.00 45.35 C ATOM 704 CG2 ILE A 47 -0.412 11.569 3.196 1.00 43.41 C ATOM 705 CD1 ILE A 47 0.518 11.932 6.051 1.00 43.04 C ATOM 0 H ILE A 47 -3.437 12.858 5.482 1.00 71.34 H new ATOM 0 HA ILE A 47 -1.839 14.000 3.356 1.00 35.12 H new ATOM 0 HB ILE A 47 -1.842 11.291 4.743 1.00 75.13 H new ATOM 0 HG12 ILE A 47 0.040 13.675 4.919 1.00 45.35 H new ATOM 0 HG13 ILE A 47 -1.161 13.245 6.120 1.00 45.35 H new ATOM 0 HG21 ILE A 47 0.313 10.885 3.637 1.00 43.41 H new ATOM 0 HG22 ILE A 47 -1.017 11.034 2.464 1.00 43.41 H new ATOM 0 HG23 ILE A 47 0.114 12.387 2.703 1.00 43.41 H new ATOM 0 HD11 ILE A 47 1.066 12.500 6.802 1.00 43.04 H new ATOM 0 HD12 ILE A 47 -0.003 11.104 6.531 1.00 43.04 H new ATOM 0 HD13 ILE A 47 1.217 11.541 5.311 1.00 43.04 H new ATOM 717 N GLY A 48 -2.783 12.922 1.328 1.00 43.13 N ATOM 718 CA GLY A 48 -3.391 12.365 0.134 1.00 2.33 C ATOM 719 C GLY A 48 -2.974 10.927 -0.099 1.00 71.40 C ATOM 720 O GLY A 48 -1.805 10.652 -0.375 1.00 13.03 O ATOM 0 H GLY A 48 -2.129 13.686 1.156 1.00 43.13 H new ATOM 0 HA2 GLY A 48 -4.476 12.418 0.222 1.00 2.33 H new ATOM 0 HA3 GLY A 48 -3.111 12.968 -0.730 1.00 2.33 H new ATOM 724 N HIS A 49 -3.927 10.010 0.011 1.00 71.43 N ATOM 725 CA HIS A 49 -3.640 8.589 -0.136 1.00 54.34 C ATOM 726 C HIS A 49 -4.387 7.989 -1.325 1.00 51.45 C ATOM 727 O HIS A 49 -5.559 8.292 -1.560 1.00 25.30 O ATOM 728 CB HIS A 49 -3.978 7.814 1.156 1.00 0.42 C ATOM 729 CG HIS A 49 -5.380 8.006 1.688 1.00 31.51 C ATOM 730 ND1 HIS A 49 -6.479 8.235 0.886 1.00 74.43 N ATOM 731 CD2 HIS A 49 -5.848 8.006 2.960 1.00 3.42 C ATOM 732 CE1 HIS A 49 -7.555 8.364 1.638 1.00 23.11 C ATOM 733 NE2 HIS A 49 -7.202 8.232 2.899 1.00 33.32 N ATOM 0 H HIS A 49 -4.906 10.225 0.202 1.00 71.43 H new ATOM 0 HA HIS A 49 -2.571 8.494 -0.324 1.00 54.34 H new ATOM 0 HB2 HIS A 49 -3.822 6.751 0.972 1.00 0.42 H new ATOM 0 HB3 HIS A 49 -3.271 8.111 1.931 1.00 0.42 H new ATOM 0 HD1 HIS A 49 -6.462 8.295 -0.132 1.00 74.43 H new ATOM 0 HD2 HIS A 49 -5.264 7.856 3.856 1.00 3.42 H new ATOM 0 HE1 HIS A 49 -8.557 8.547 1.279 1.00 23.11 H new ATOM 742 N LEU A 50 -3.702 7.155 -2.081 1.00 35.25 N ATOM 743 CA LEU A 50 -4.328 6.421 -3.164 1.00 43.52 C ATOM 744 C LEU A 50 -4.449 4.955 -2.762 1.00 54.54 C ATOM 745 O LEU A 50 -3.497 4.184 -2.880 1.00 3.12 O ATOM 746 CB LEU A 50 -3.518 6.574 -4.462 1.00 53.53 C ATOM 747 CG LEU A 50 -4.257 6.224 -5.763 1.00 30.22 C ATOM 748 CD1 LEU A 50 -3.500 6.784 -6.956 1.00 42.11 C ATOM 749 CD2 LEU A 50 -4.419 4.717 -5.920 1.00 13.42 C ATOM 0 H LEU A 50 -2.706 6.967 -1.965 1.00 35.25 H new ATOM 0 HA LEU A 50 -5.323 6.824 -3.352 1.00 43.52 H new ATOM 0 HB2 LEU A 50 -3.171 7.605 -4.531 1.00 53.53 H new ATOM 0 HB3 LEU A 50 -2.632 5.944 -4.390 1.00 53.53 H new ATOM 0 HG LEU A 50 -5.250 6.671 -5.716 1.00 30.22 H new ATOM 0 HD11 LEU A 50 -4.030 6.532 -7.874 1.00 42.11 H new ATOM 0 HD12 LEU A 50 -3.428 7.868 -6.865 1.00 42.11 H new ATOM 0 HD13 LEU A 50 -2.499 6.355 -6.986 1.00 42.11 H new ATOM 0 HD21 LEU A 50 -4.946 4.503 -6.850 1.00 13.42 H new ATOM 0 HD22 LEU A 50 -3.436 4.246 -5.942 1.00 13.42 H new ATOM 0 HD23 LEU A 50 -4.991 4.323 -5.080 1.00 13.42 H new ATOM 761 N VAL A 51 -5.610 4.601 -2.235 1.00 13.12 N ATOM 762 CA VAL A 51 -5.901 3.229 -1.835 1.00 62.40 C ATOM 763 C VAL A 51 -7.348 2.892 -2.137 1.00 20.11 C ATOM 764 O VAL A 51 -8.265 3.438 -1.524 1.00 25.44 O ATOM 765 CB VAL A 51 -5.625 2.974 -0.335 1.00 64.25 C ATOM 766 CG1 VAL A 51 -4.173 2.601 -0.116 1.00 31.14 C ATOM 767 CG2 VAL A 51 -5.991 4.187 0.503 1.00 50.10 C ATOM 0 H VAL A 51 -6.377 5.253 -2.072 1.00 13.12 H new ATOM 0 HA VAL A 51 -5.233 2.588 -2.410 1.00 62.40 H new ATOM 0 HB VAL A 51 -6.251 2.141 -0.017 1.00 64.25 H new ATOM 0 HG11 VAL A 51 -3.999 2.426 0.946 1.00 31.14 H new ATOM 0 HG12 VAL A 51 -3.942 1.695 -0.676 1.00 31.14 H new ATOM 0 HG13 VAL A 51 -3.533 3.414 -0.459 1.00 31.14 H new ATOM 0 HG21 VAL A 51 -5.786 3.979 1.553 1.00 50.10 H new ATOM 0 HG22 VAL A 51 -5.399 5.044 0.181 1.00 50.10 H new ATOM 0 HG23 VAL A 51 -7.050 4.410 0.377 1.00 50.10 H new ATOM 777 N LEU A 52 -7.551 2.018 -3.105 1.00 0.43 N ATOM 778 CA LEU A 52 -8.893 1.613 -3.485 1.00 15.10 C ATOM 779 C LEU A 52 -9.129 0.148 -3.160 1.00 74.33 C ATOM 780 O LEU A 52 -8.268 -0.703 -3.411 1.00 42.31 O ATOM 781 CB LEU A 52 -9.152 1.865 -4.979 1.00 64.45 C ATOM 782 CG LEU A 52 -9.443 3.319 -5.379 1.00 23.14 C ATOM 783 CD1 LEU A 52 -10.556 3.898 -4.524 1.00 3.14 C ATOM 784 CD2 LEU A 52 -8.191 4.179 -5.294 1.00 72.00 C ATOM 0 H LEU A 52 -6.806 1.575 -3.642 1.00 0.43 H new ATOM 0 HA LEU A 52 -9.591 2.220 -2.908 1.00 15.10 H new ATOM 0 HB2 LEU A 52 -8.283 1.522 -5.540 1.00 64.45 H new ATOM 0 HB3 LEU A 52 -9.995 1.248 -5.290 1.00 64.45 H new ATOM 0 HG LEU A 52 -9.773 3.319 -6.418 1.00 23.14 H new ATOM 0 HD11 LEU A 52 -10.746 4.929 -4.824 1.00 3.14 H new ATOM 0 HD12 LEU A 52 -11.462 3.308 -4.658 1.00 3.14 H new ATOM 0 HD13 LEU A 52 -10.259 3.874 -3.475 1.00 3.14 H new ATOM 0 HD21 LEU A 52 -8.432 5.202 -5.584 1.00 72.00 H new ATOM 0 HD22 LEU A 52 -7.813 4.171 -4.272 1.00 72.00 H new ATOM 0 HD23 LEU A 52 -7.430 3.781 -5.966 1.00 72.00 H new ATOM 796 N ASP A 53 -10.286 -0.137 -2.587 1.00 45.30 N ATOM 797 CA ASP A 53 -10.684 -1.509 -2.314 1.00 4.31 C ATOM 798 C ASP A 53 -11.251 -2.144 -3.580 1.00 3.11 C ATOM 799 O ASP A 53 -12.455 -2.381 -3.704 1.00 31.34 O ATOM 800 CB ASP A 53 -11.701 -1.558 -1.171 1.00 42.33 C ATOM 801 CG ASP A 53 -12.166 -2.968 -0.855 1.00 24.15 C ATOM 802 OD1 ASP A 53 -11.326 -3.812 -0.482 1.00 43.42 O ATOM 803 OD2 ASP A 53 -13.384 -3.232 -0.957 1.00 33.25 O ATOM 0 H ASP A 53 -10.968 0.565 -2.301 1.00 45.30 H new ATOM 0 HA ASP A 53 -9.808 -2.078 -2.003 1.00 4.31 H new ATOM 0 HB2 ASP A 53 -11.258 -1.118 -0.278 1.00 42.33 H new ATOM 0 HB3 ASP A 53 -12.564 -0.946 -1.433 1.00 42.33 H new ATOM 808 N GLN A 54 -10.367 -2.356 -4.543 1.00 5.01 N ATOM 809 CA GLN A 54 -10.724 -2.965 -5.812 1.00 21.23 C ATOM 810 C GLN A 54 -9.663 -3.987 -6.200 1.00 13.31 C ATOM 811 O GLN A 54 -8.495 -3.644 -6.394 1.00 72.13 O ATOM 812 CB GLN A 54 -10.852 -1.900 -6.910 1.00 43.32 C ATOM 813 CG GLN A 54 -11.900 -0.833 -6.616 1.00 35.14 C ATOM 814 CD GLN A 54 -11.993 0.222 -7.704 1.00 14.40 C ATOM 815 OE1 GLN A 54 -11.284 1.228 -7.673 1.00 2.30 O ATOM 816 NE2 GLN A 54 -12.879 0.010 -8.664 1.00 15.35 N ATOM 0 H GLN A 54 -9.380 -2.110 -4.465 1.00 5.01 H new ATOM 0 HA GLN A 54 -11.688 -3.462 -5.704 1.00 21.23 H new ATOM 0 HB2 GLN A 54 -9.885 -1.417 -7.049 1.00 43.32 H new ATOM 0 HB3 GLN A 54 -11.101 -2.390 -7.851 1.00 43.32 H new ATOM 0 HG2 GLN A 54 -12.873 -1.310 -6.496 1.00 35.14 H new ATOM 0 HG3 GLN A 54 -11.663 -0.350 -5.668 1.00 35.14 H new ATOM 0 HE21 GLN A 54 -13.448 -0.836 -8.655 1.00 15.35 H new ATOM 0 HE22 GLN A 54 -12.993 0.693 -9.413 1.00 15.35 H new ATOM 825 N ASN A 55 -10.073 -5.239 -6.288 1.00 2.12 N ATOM 826 CA ASN A 55 -9.152 -6.326 -6.605 1.00 0.40 C ATOM 827 C ASN A 55 -9.902 -7.467 -7.282 1.00 72.40 C ATOM 828 O ASN A 55 -9.509 -7.938 -8.349 1.00 0.40 O ATOM 829 CB ASN A 55 -8.475 -6.840 -5.328 1.00 60.41 C ATOM 830 CG ASN A 55 -7.315 -7.781 -5.613 1.00 62.25 C ATOM 831 OD1 ASN A 55 -6.597 -7.626 -6.599 1.00 12.24 O ATOM 832 ND2 ASN A 55 -7.127 -8.765 -4.744 1.00 44.43 N ATOM 0 H ASN A 55 -11.039 -5.533 -6.145 1.00 2.12 H new ATOM 0 HA ASN A 55 -8.388 -5.946 -7.283 1.00 0.40 H new ATOM 0 HB2 ASN A 55 -8.114 -5.991 -4.747 1.00 60.41 H new ATOM 0 HB3 ASN A 55 -9.213 -7.356 -4.714 1.00 60.41 H new ATOM 0 HD21 ASN A 55 -6.364 -9.428 -4.881 1.00 44.43 H new ATOM 0 HD22 ASN A 55 -7.745 -8.859 -3.938 1.00 44.43 H new ATOM 839 N MET A 56 -10.996 -7.890 -6.659 1.00 4.44 N ATOM 840 CA MET A 56 -11.809 -8.978 -7.178 1.00 11.34 C ATOM 841 C MET A 56 -13.252 -8.785 -6.721 1.00 31.21 C ATOM 842 O MET A 56 -13.532 -7.905 -5.900 1.00 24.21 O ATOM 843 CB MET A 56 -11.272 -10.323 -6.674 1.00 42.41 C ATOM 844 CG MET A 56 -11.082 -11.373 -7.761 1.00 11.53 C ATOM 845 SD MET A 56 -12.620 -11.835 -8.579 1.00 10.51 S ATOM 846 CE MET A 56 -12.044 -13.156 -9.649 1.00 32.30 C ATOM 0 H MET A 56 -11.341 -7.490 -5.786 1.00 4.44 H new ATOM 0 HA MET A 56 -11.769 -8.975 -8.267 1.00 11.34 H new ATOM 0 HB2 MET A 56 -10.316 -10.155 -6.177 1.00 42.41 H new ATOM 0 HB3 MET A 56 -11.958 -10.715 -5.923 1.00 42.41 H new ATOM 0 HG2 MET A 56 -10.382 -10.993 -8.505 1.00 11.53 H new ATOM 0 HG3 MET A 56 -10.630 -12.263 -7.323 1.00 11.53 H new ATOM 0 HE1 MET A 56 -12.882 -13.549 -10.225 1.00 32.30 H new ATOM 0 HE2 MET A 56 -11.286 -12.769 -10.330 1.00 32.30 H new ATOM 0 HE3 MET A 56 -11.614 -13.954 -9.043 1.00 32.30 H new ATOM 856 N SER A 57 -14.157 -9.593 -7.248 1.00 71.42 N ATOM 857 CA SER A 57 -15.556 -9.534 -6.853 1.00 51.05 C ATOM 858 C SER A 57 -15.724 -10.061 -5.430 1.00 35.14 C ATOM 859 O SER A 57 -14.993 -10.955 -5.006 1.00 5.13 O ATOM 860 CB SER A 57 -16.407 -10.352 -7.826 1.00 64.12 C ATOM 861 OG SER A 57 -16.236 -9.895 -9.160 1.00 4.23 O ATOM 0 H SER A 57 -13.948 -10.300 -7.953 1.00 71.42 H new ATOM 0 HA SER A 57 -15.889 -8.496 -6.881 1.00 51.05 H new ATOM 0 HB2 SER A 57 -16.131 -11.404 -7.760 1.00 64.12 H new ATOM 0 HB3 SER A 57 -17.458 -10.280 -7.545 1.00 64.12 H new ATOM 0 HG SER A 57 -16.788 -10.434 -9.764 1.00 4.23 H new ATOM 867 N ILE A 58 -16.674 -9.499 -4.696 1.00 31.43 N ATOM 868 CA ILE A 58 -16.902 -9.902 -3.316 1.00 51.31 C ATOM 869 C ILE A 58 -17.573 -11.275 -3.246 1.00 12.45 C ATOM 870 O ILE A 58 -18.699 -11.466 -3.718 1.00 63.00 O ATOM 871 CB ILE A 58 -17.738 -8.857 -2.540 1.00 60.21 C ATOM 872 CG1 ILE A 58 -18.079 -9.381 -1.142 1.00 51.53 C ATOM 873 CG2 ILE A 58 -19.004 -8.490 -3.308 1.00 75.25 C ATOM 874 CD1 ILE A 58 -18.839 -8.393 -0.287 1.00 71.40 C ATOM 0 H ILE A 58 -17.297 -8.765 -5.032 1.00 31.43 H new ATOM 0 HA ILE A 58 -15.924 -9.967 -2.839 1.00 51.31 H new ATOM 0 HB ILE A 58 -17.141 -7.951 -2.433 1.00 60.21 H new ATOM 0 HG12 ILE A 58 -18.670 -10.292 -1.240 1.00 51.53 H new ATOM 0 HG13 ILE A 58 -17.155 -9.654 -0.631 1.00 51.53 H new ATOM 0 HG21 ILE A 58 -19.573 -7.754 -2.740 1.00 75.25 H new ATOM 0 HG22 ILE A 58 -18.733 -8.071 -4.277 1.00 75.25 H new ATOM 0 HG23 ILE A 58 -19.611 -9.383 -3.456 1.00 75.25 H new ATOM 0 HD11 ILE A 58 -19.044 -8.837 0.687 1.00 71.40 H new ATOM 0 HD12 ILE A 58 -18.242 -7.490 -0.156 1.00 71.40 H new ATOM 0 HD13 ILE A 58 -19.780 -8.138 -0.774 1.00 71.40 H new ATOM 886 N LEU A 59 -16.859 -12.228 -2.668 1.00 12.03 N ATOM 887 CA LEU A 59 -17.359 -13.585 -2.508 1.00 22.54 C ATOM 888 C LEU A 59 -16.605 -14.286 -1.388 1.00 0.11 C ATOM 889 O LEU A 59 -15.408 -14.567 -1.522 1.00 70.25 O ATOM 890 CB LEU A 59 -17.214 -14.370 -3.815 1.00 45.45 C ATOM 891 CG LEU A 59 -17.712 -15.818 -3.770 1.00 51.21 C ATOM 892 CD1 LEU A 59 -19.191 -15.870 -3.416 1.00 54.42 C ATOM 893 CD2 LEU A 59 -17.459 -16.506 -5.099 1.00 24.20 C ATOM 0 H LEU A 59 -15.920 -12.084 -2.298 1.00 12.03 H new ATOM 0 HA LEU A 59 -18.417 -13.539 -2.251 1.00 22.54 H new ATOM 0 HB2 LEU A 59 -17.756 -13.841 -4.599 1.00 45.45 H new ATOM 0 HB3 LEU A 59 -16.162 -14.374 -4.102 1.00 45.45 H new ATOM 0 HG LEU A 59 -17.158 -16.346 -2.994 1.00 51.21 H new ATOM 0 HD11 LEU A 59 -19.523 -16.908 -3.390 1.00 54.42 H new ATOM 0 HD12 LEU A 59 -19.347 -15.414 -2.438 1.00 54.42 H new ATOM 0 HD13 LEU A 59 -19.764 -15.325 -4.166 1.00 54.42 H new ATOM 0 HD21 LEU A 59 -17.818 -17.534 -5.051 1.00 24.20 H new ATOM 0 HD22 LEU A 59 -17.987 -15.974 -5.890 1.00 24.20 H new ATOM 0 HD23 LEU A 59 -16.390 -16.505 -5.311 1.00 24.20 H new ATOM 905 N GLU A 60 -17.310 -14.546 -0.285 1.00 55.23 N ATOM 906 CA GLU A 60 -16.732 -15.202 0.888 1.00 65.43 C ATOM 907 C GLU A 60 -15.704 -14.301 1.572 1.00 22.30 C ATOM 908 O GLU A 60 -15.341 -13.240 1.058 1.00 61.51 O ATOM 909 CB GLU A 60 -16.081 -16.532 0.494 1.00 11.32 C ATOM 910 CG GLU A 60 -17.069 -17.567 -0.014 1.00 52.14 C ATOM 911 CD GLU A 60 -17.742 -18.336 1.105 1.00 24.22 C ATOM 912 OE1 GLU A 60 -18.322 -17.706 2.011 1.00 52.52 O ATOM 913 OE2 GLU A 60 -17.691 -19.583 1.079 1.00 72.32 O ATOM 0 H GLU A 60 -18.296 -14.308 -0.181 1.00 55.23 H new ATOM 0 HA GLU A 60 -17.541 -15.398 1.592 1.00 65.43 H new ATOM 0 HB2 GLU A 60 -15.334 -16.346 -0.277 1.00 11.32 H new ATOM 0 HB3 GLU A 60 -15.554 -16.938 1.357 1.00 11.32 H new ATOM 0 HG2 GLU A 60 -17.830 -17.071 -0.617 1.00 52.14 H new ATOM 0 HG3 GLU A 60 -16.550 -18.267 -0.669 1.00 52.14 H new ATOM 920 N GLY A 61 -15.265 -14.714 2.749 1.00 31.13 N ATOM 921 CA GLY A 61 -14.184 -14.029 3.420 1.00 31.21 C ATOM 922 C GLY A 61 -12.846 -14.445 2.851 1.00 32.22 C ATOM 923 O GLY A 61 -12.255 -15.429 3.301 1.00 64.42 O ATOM 0 H GLY A 61 -15.641 -15.517 3.254 1.00 31.13 H new ATOM 0 HA2 GLY A 61 -14.310 -12.951 3.314 1.00 31.21 H new ATOM 0 HA3 GLY A 61 -14.215 -14.250 4.487 1.00 31.21 H new ATOM 927 N SER A 62 -12.386 -13.704 1.850 1.00 34.32 N ATOM 928 CA SER A 62 -11.159 -14.023 1.134 1.00 3.00 C ATOM 929 C SER A 62 -9.979 -14.163 2.092 1.00 4.01 C ATOM 930 O SER A 62 -9.715 -13.275 2.907 1.00 11.14 O ATOM 931 CB SER A 62 -10.880 -12.936 0.097 1.00 0.52 C ATOM 932 OG SER A 62 -12.020 -12.715 -0.719 1.00 54.12 O ATOM 0 H SER A 62 -12.855 -12.864 1.512 1.00 34.32 H new ATOM 0 HA SER A 62 -11.288 -14.981 0.631 1.00 3.00 H new ATOM 0 HB2 SER A 62 -10.602 -12.010 0.600 1.00 0.52 H new ATOM 0 HB3 SER A 62 -10.033 -13.228 -0.524 1.00 0.52 H new ATOM 0 HG SER A 62 -11.822 -12.015 -1.375 1.00 54.12 H new ATOM 938 N LEU A 63 -9.274 -15.285 1.985 1.00 2.14 N ATOM 939 CA LEU A 63 -8.190 -15.606 2.905 1.00 13.41 C ATOM 940 C LEU A 63 -6.905 -14.870 2.534 1.00 71.34 C ATOM 941 O LEU A 63 -6.027 -15.433 1.881 1.00 5.23 O ATOM 942 CB LEU A 63 -7.930 -17.124 2.939 1.00 62.44 C ATOM 943 CG LEU A 63 -9.048 -17.990 3.536 1.00 55.31 C ATOM 944 CD1 LEU A 63 -10.242 -18.084 2.595 1.00 42.45 C ATOM 945 CD2 LEU A 63 -8.518 -19.378 3.858 1.00 62.22 C ATOM 0 H LEU A 63 -9.436 -15.990 1.266 1.00 2.14 H new ATOM 0 HA LEU A 63 -8.500 -15.277 3.897 1.00 13.41 H new ATOM 0 HB2 LEU A 63 -7.742 -17.462 1.920 1.00 62.44 H new ATOM 0 HB3 LEU A 63 -7.018 -17.303 3.508 1.00 62.44 H new ATOM 0 HG LEU A 63 -9.387 -17.515 4.456 1.00 55.31 H new ATOM 0 HD11 LEU A 63 -11.015 -18.704 3.049 1.00 42.45 H new ATOM 0 HD12 LEU A 63 -10.639 -17.086 2.411 1.00 42.45 H new ATOM 0 HD13 LEU A 63 -9.927 -18.529 1.651 1.00 42.45 H new ATOM 0 HD21 LEU A 63 -9.319 -19.984 4.281 1.00 62.22 H new ATOM 0 HD22 LEU A 63 -8.150 -19.848 2.946 1.00 62.22 H new ATOM 0 HD23 LEU A 63 -7.704 -19.299 4.579 1.00 62.22 H new ATOM 957 N GLY A 64 -6.826 -13.602 2.933 1.00 20.13 N ATOM 958 CA GLY A 64 -5.625 -12.806 2.730 1.00 11.05 C ATOM 959 C GLY A 64 -5.146 -12.780 1.290 1.00 52.01 C ATOM 960 O GLY A 64 -3.948 -12.863 1.030 1.00 14.40 O ATOM 0 H GLY A 64 -7.585 -13.105 3.400 1.00 20.13 H new ATOM 0 HA2 GLY A 64 -5.817 -11.784 3.058 1.00 11.05 H new ATOM 0 HA3 GLY A 64 -4.828 -13.199 3.362 1.00 11.05 H new ATOM 964 N VAL A 65 -6.077 -12.665 0.355 1.00 32.30 N ATOM 965 CA VAL A 65 -5.734 -12.674 -1.061 1.00 14.23 C ATOM 966 C VAL A 65 -5.845 -11.262 -1.653 1.00 4.40 C ATOM 967 O VAL A 65 -5.853 -11.074 -2.870 1.00 22.42 O ATOM 968 CB VAL A 65 -6.633 -13.672 -1.837 1.00 3.25 C ATOM 969 CG1 VAL A 65 -8.053 -13.150 -1.979 1.00 41.43 C ATOM 970 CG2 VAL A 65 -6.038 -14.008 -3.198 1.00 4.41 C ATOM 0 H VAL A 65 -7.073 -12.565 0.549 1.00 32.30 H new ATOM 0 HA VAL A 65 -4.700 -13.003 -1.161 1.00 14.23 H new ATOM 0 HB VAL A 65 -6.676 -14.591 -1.253 1.00 3.25 H new ATOM 0 HG11 VAL A 65 -8.654 -13.875 -2.528 1.00 41.43 H new ATOM 0 HG12 VAL A 65 -8.484 -12.995 -0.990 1.00 41.43 H new ATOM 0 HG13 VAL A 65 -8.041 -12.205 -2.521 1.00 41.43 H new ATOM 0 HG21 VAL A 65 -6.691 -14.709 -3.717 1.00 4.41 H new ATOM 0 HG22 VAL A 65 -5.942 -13.097 -3.788 1.00 4.41 H new ATOM 0 HG23 VAL A 65 -5.055 -14.459 -3.064 1.00 4.41 H new ATOM 980 N ILE A 66 -5.908 -10.262 -0.781 1.00 31.35 N ATOM 981 CA ILE A 66 -5.987 -8.878 -1.228 1.00 2.12 C ATOM 982 C ILE A 66 -4.801 -8.075 -0.703 1.00 13.30 C ATOM 983 O ILE A 66 -4.863 -7.497 0.384 1.00 41.11 O ATOM 984 CB ILE A 66 -7.298 -8.171 -0.787 1.00 52.32 C ATOM 985 CG1 ILE A 66 -8.540 -8.980 -1.179 1.00 63.25 C ATOM 986 CG2 ILE A 66 -7.378 -6.774 -1.394 1.00 65.42 C ATOM 987 CD1 ILE A 66 -8.917 -10.051 -0.176 1.00 74.02 C ATOM 0 H ILE A 66 -5.906 -10.383 0.232 1.00 31.35 H new ATOM 0 HA ILE A 66 -5.973 -8.915 -2.317 1.00 2.12 H new ATOM 0 HB ILE A 66 -7.276 -8.093 0.300 1.00 52.32 H new ATOM 0 HG12 ILE A 66 -9.382 -8.298 -1.302 1.00 63.25 H new ATOM 0 HG13 ILE A 66 -8.366 -9.448 -2.148 1.00 63.25 H new ATOM 0 HG21 ILE A 66 -8.302 -6.291 -1.076 1.00 65.42 H new ATOM 0 HG22 ILE A 66 -6.526 -6.183 -1.059 1.00 65.42 H new ATOM 0 HG23 ILE A 66 -7.363 -6.848 -2.481 1.00 65.42 H new ATOM 0 HD11 ILE A 66 -9.805 -10.579 -0.524 1.00 74.02 H new ATOM 0 HD12 ILE A 66 -8.093 -10.757 -0.070 1.00 74.02 H new ATOM 0 HD13 ILE A 66 -9.125 -9.589 0.789 1.00 74.02 H new ATOM 999 N PRO A 67 -3.685 -8.061 -1.446 1.00 50.14 N ATOM 1000 CA PRO A 67 -2.561 -7.188 -1.146 1.00 12.54 C ATOM 1001 C PRO A 67 -2.817 -5.790 -1.697 1.00 60.31 C ATOM 1002 O PRO A 67 -3.382 -5.634 -2.781 1.00 65.40 O ATOM 1003 CB PRO A 67 -1.394 -7.858 -1.867 1.00 63.43 C ATOM 1004 CG PRO A 67 -2.013 -8.539 -3.038 1.00 3.43 C ATOM 1005 CD PRO A 67 -3.425 -8.901 -2.631 1.00 23.53 C ATOM 0 HA PRO A 67 -2.380 -7.063 -0.078 1.00 12.54 H new ATOM 0 HB2 PRO A 67 -0.651 -7.126 -2.182 1.00 63.43 H new ATOM 0 HB3 PRO A 67 -0.884 -8.571 -1.218 1.00 63.43 H new ATOM 0 HG2 PRO A 67 -2.017 -7.884 -3.909 1.00 3.43 H new ATOM 0 HG3 PRO A 67 -1.448 -9.430 -3.311 1.00 3.43 H new ATOM 0 HD2 PRO A 67 -4.136 -8.693 -3.431 1.00 23.53 H new ATOM 0 HD3 PRO A 67 -3.512 -9.961 -2.395 1.00 23.53 H new ATOM 1013 N ARG A 68 -2.422 -4.770 -0.958 1.00 43.52 N ATOM 1014 CA ARG A 68 -2.710 -3.405 -1.367 1.00 63.31 C ATOM 1015 C ARG A 68 -1.455 -2.556 -1.384 1.00 72.03 C ATOM 1016 O ARG A 68 -0.511 -2.788 -0.626 1.00 20.42 O ATOM 1017 CB ARG A 68 -3.756 -2.764 -0.452 1.00 63.22 C ATOM 1018 CG ARG A 68 -5.168 -3.316 -0.627 1.00 1.33 C ATOM 1019 CD ARG A 68 -5.783 -2.911 -1.963 1.00 1.33 C ATOM 1020 NE ARG A 68 -5.211 -3.646 -3.091 1.00 45.33 N ATOM 1021 CZ ARG A 68 -5.406 -3.325 -4.372 1.00 75.53 C ATOM 1022 NH1 ARG A 68 -6.183 -2.302 -4.695 1.00 54.33 N ATOM 1023 NH2 ARG A 68 -4.836 -4.041 -5.334 1.00 62.31 N ATOM 0 H ARG A 68 -1.907 -4.857 -0.082 1.00 43.52 H new ATOM 0 HA ARG A 68 -3.110 -3.452 -2.380 1.00 63.31 H new ATOM 0 HB2 ARG A 68 -3.450 -2.905 0.585 1.00 63.22 H new ATOM 0 HB3 ARG A 68 -3.773 -1.690 -0.636 1.00 63.22 H new ATOM 0 HG2 ARG A 68 -5.143 -4.403 -0.555 1.00 1.33 H new ATOM 0 HG3 ARG A 68 -5.800 -2.957 0.186 1.00 1.33 H new ATOM 0 HD2 ARG A 68 -6.859 -3.082 -1.930 1.00 1.33 H new ATOM 0 HD3 ARG A 68 -5.635 -1.842 -2.118 1.00 1.33 H new ATOM 0 HE ARG A 68 -4.626 -4.456 -2.886 1.00 45.33 H new ATOM 0 HH11 ARG A 68 -6.636 -1.755 -3.963 1.00 54.33 H new ATOM 0 HH12 ARG A 68 -6.328 -2.062 -5.676 1.00 54.33 H new ATOM 0 HH21 ARG A 68 -4.247 -4.839 -5.095 1.00 62.31 H new ATOM 0 HH22 ARG A 68 -4.987 -3.793 -6.312 1.00 62.31 H new ATOM 1037 N ARG A 69 -1.466 -1.568 -2.259 1.00 74.33 N ATOM 1038 CA ARG A 69 -0.369 -0.628 -2.384 1.00 43.55 C ATOM 1039 C ARG A 69 -0.857 0.759 -1.980 1.00 34.53 C ATOM 1040 O ARG A 69 -1.970 1.156 -2.328 1.00 74.14 O ATOM 1041 CB ARG A 69 0.155 -0.622 -3.828 1.00 65.13 C ATOM 1042 CG ARG A 69 -0.881 -0.159 -4.838 1.00 30.23 C ATOM 1043 CD ARG A 69 -0.381 -0.283 -6.267 1.00 44.01 C ATOM 1044 NE ARG A 69 -0.414 -1.660 -6.752 1.00 63.52 N ATOM 1045 CZ ARG A 69 0.286 -2.092 -7.799 1.00 1.12 C ATOM 1046 NH1 ARG A 69 1.157 -1.283 -8.393 1.00 63.21 N ATOM 1047 NH2 ARG A 69 0.144 -3.336 -8.231 1.00 65.43 N ATOM 0 H ARG A 69 -2.237 -1.395 -2.904 1.00 74.33 H new ATOM 0 HA ARG A 69 0.450 -0.923 -1.728 1.00 43.55 H new ATOM 0 HB2 ARG A 69 1.028 0.028 -3.888 1.00 65.13 H new ATOM 0 HB3 ARG A 69 0.487 -1.626 -4.092 1.00 65.13 H new ATOM 0 HG2 ARG A 69 -1.790 -0.748 -4.720 1.00 30.23 H new ATOM 0 HG3 ARG A 69 -1.145 0.879 -4.636 1.00 30.23 H new ATOM 0 HD2 ARG A 69 -0.991 0.343 -6.918 1.00 44.01 H new ATOM 0 HD3 ARG A 69 0.639 0.095 -6.326 1.00 44.01 H new ATOM 0 HE ARG A 69 -1.007 -2.329 -6.261 1.00 63.52 H new ATOM 0 HH11 ARG A 69 1.289 -0.333 -8.047 1.00 63.21 H new ATOM 0 HH12 ARG A 69 1.694 -1.612 -9.195 1.00 63.21 H new ATOM 0 HH21 ARG A 69 -0.504 -3.968 -7.761 1.00 65.43 H new ATOM 0 HH22 ARG A 69 0.683 -3.662 -9.034 1.00 65.43 H new ATOM 1061 N VAL A 70 -0.053 1.472 -1.217 1.00 14.51 N ATOM 1062 CA VAL A 70 -0.431 2.800 -0.775 1.00 62.04 C ATOM 1063 C VAL A 70 0.400 3.851 -1.494 1.00 71.11 C ATOM 1064 O VAL A 70 1.623 3.910 -1.337 1.00 20.13 O ATOM 1065 CB VAL A 70 -0.275 2.981 0.752 1.00 32.54 C ATOM 1066 CG1 VAL A 70 -0.644 4.400 1.165 1.00 21.04 C ATOM 1067 CG2 VAL A 70 -1.125 1.966 1.510 1.00 52.01 C ATOM 0 H VAL A 70 0.861 1.157 -0.892 1.00 14.51 H new ATOM 0 HA VAL A 70 -1.486 2.925 -1.019 1.00 62.04 H new ATOM 0 HB VAL A 70 0.770 2.808 1.007 1.00 32.54 H new ATOM 0 HG11 VAL A 70 -0.528 4.507 2.243 1.00 21.04 H new ATOM 0 HG12 VAL A 70 0.010 5.109 0.657 1.00 21.04 H new ATOM 0 HG13 VAL A 70 -1.679 4.601 0.890 1.00 21.04 H new ATOM 0 HG21 VAL A 70 -0.998 2.114 2.582 1.00 52.01 H new ATOM 0 HG22 VAL A 70 -2.174 2.101 1.247 1.00 52.01 H new ATOM 0 HG23 VAL A 70 -0.811 0.957 1.243 1.00 52.01 H new ATOM 1077 N LEU A 71 -0.270 4.651 -2.306 1.00 42.14 N ATOM 1078 CA LEU A 71 0.373 5.748 -3.007 1.00 70.13 C ATOM 1079 C LEU A 71 0.062 7.053 -2.295 1.00 51.40 C ATOM 1080 O LEU A 71 -1.055 7.254 -1.818 1.00 44.11 O ATOM 1081 CB LEU A 71 -0.090 5.816 -4.472 1.00 71.43 C ATOM 1082 CG LEU A 71 0.484 4.747 -5.410 1.00 32.25 C ATOM 1083 CD1 LEU A 71 -0.039 3.362 -5.062 1.00 40.00 C ATOM 1084 CD2 LEU A 71 0.175 5.085 -6.859 1.00 4.34 C ATOM 0 H LEU A 71 -1.268 4.559 -2.497 1.00 42.14 H new ATOM 0 HA LEU A 71 1.450 5.580 -3.006 1.00 70.13 H new ATOM 0 HB2 LEU A 71 -1.177 5.742 -4.492 1.00 71.43 H new ATOM 0 HB3 LEU A 71 0.171 6.797 -4.869 1.00 71.43 H new ATOM 0 HG LEU A 71 1.566 4.737 -5.277 1.00 32.25 H new ATOM 0 HD11 LEU A 71 0.388 2.629 -5.747 1.00 40.00 H new ATOM 0 HD12 LEU A 71 0.245 3.112 -4.040 1.00 40.00 H new ATOM 0 HD13 LEU A 71 -1.125 3.351 -5.150 1.00 40.00 H new ATOM 0 HD21 LEU A 71 0.590 4.315 -7.509 1.00 4.34 H new ATOM 0 HD22 LEU A 71 -0.905 5.134 -6.999 1.00 4.34 H new ATOM 0 HD23 LEU A 71 0.617 6.049 -7.110 1.00 4.34 H new ATOM 1096 N VAL A 72 1.048 7.924 -2.202 1.00 14.33 N ATOM 1097 CA VAL A 72 0.872 9.194 -1.516 1.00 21.12 C ATOM 1098 C VAL A 72 1.265 10.361 -2.412 1.00 4.03 C ATOM 1099 O VAL A 72 1.942 10.189 -3.430 1.00 31.01 O ATOM 1100 CB VAL A 72 1.667 9.254 -0.192 1.00 0.14 C ATOM 1101 CG1 VAL A 72 1.111 8.265 0.824 1.00 71.32 C ATOM 1102 CG2 VAL A 72 3.139 8.989 -0.445 1.00 50.32 C ATOM 0 H VAL A 72 1.979 7.778 -2.592 1.00 14.33 H new ATOM 0 HA VAL A 72 -0.188 9.275 -1.275 1.00 21.12 H new ATOM 0 HB VAL A 72 1.561 10.257 0.222 1.00 0.14 H new ATOM 0 HG11 VAL A 72 1.688 8.328 1.746 1.00 71.32 H new ATOM 0 HG12 VAL A 72 0.068 8.504 1.032 1.00 71.32 H new ATOM 0 HG13 VAL A 72 1.178 7.254 0.422 1.00 71.32 H new ATOM 0 HG21 VAL A 72 3.684 9.035 0.498 1.00 50.32 H new ATOM 0 HG22 VAL A 72 3.260 8.000 -0.886 1.00 50.32 H new ATOM 0 HG23 VAL A 72 3.532 9.742 -1.128 1.00 50.32 H new ATOM 1112 N HIS A 73 0.817 11.543 -2.022 1.00 53.01 N ATOM 1113 CA HIS A 73 1.010 12.759 -2.799 1.00 33.21 C ATOM 1114 C HIS A 73 2.467 13.232 -2.693 1.00 43.33 C ATOM 1115 O HIS A 73 3.183 12.815 -1.790 1.00 21.44 O ATOM 1116 CB HIS A 73 0.038 13.820 -2.274 1.00 70.34 C ATOM 1117 CG HIS A 73 -0.350 14.870 -3.260 1.00 14.44 C ATOM 1118 ND1 HIS A 73 -0.512 16.190 -2.914 1.00 65.12 N ATOM 1119 CD2 HIS A 73 -0.674 14.781 -4.570 1.00 1.35 C ATOM 1120 CE1 HIS A 73 -0.921 16.870 -3.968 1.00 54.21 C ATOM 1121 NE2 HIS A 73 -1.028 16.039 -4.989 1.00 1.30 N ATOM 0 H HIS A 73 0.305 11.688 -1.152 1.00 53.01 H new ATOM 0 HA HIS A 73 0.807 12.574 -3.854 1.00 33.21 H new ATOM 0 HB2 HIS A 73 -0.866 13.321 -1.925 1.00 70.34 H new ATOM 0 HB3 HIS A 73 0.488 14.306 -1.408 1.00 70.34 H new ATOM 0 HD1 HIS A 73 -0.343 16.582 -1.988 1.00 65.12 H new ATOM 0 HD2 HIS A 73 -0.657 13.886 -5.174 1.00 1.35 H new ATOM 0 HE1 HIS A 73 -1.133 17.929 -3.992 1.00 54.21 H new ATOM 1130 N GLU A 74 2.896 14.100 -3.616 1.00 43.14 N ATOM 1131 CA GLU A 74 4.297 14.538 -3.694 1.00 15.40 C ATOM 1132 C GLU A 74 4.788 15.191 -2.401 1.00 71.33 C ATOM 1133 O GLU A 74 5.758 14.735 -1.799 1.00 44.42 O ATOM 1134 CB GLU A 74 4.488 15.504 -4.863 1.00 54.24 C ATOM 1135 CG GLU A 74 4.267 14.867 -6.222 1.00 2.33 C ATOM 1136 CD GLU A 74 5.165 13.669 -6.435 1.00 11.13 C ATOM 1137 OE1 GLU A 74 6.347 13.866 -6.787 1.00 34.14 O ATOM 1138 OE2 GLU A 74 4.701 12.528 -6.238 1.00 22.32 O ATOM 0 H GLU A 74 2.290 14.516 -4.324 1.00 43.14 H new ATOM 0 HA GLU A 74 4.895 13.640 -3.852 1.00 15.40 H new ATOM 0 HB2 GLU A 74 3.799 16.341 -4.747 1.00 54.24 H new ATOM 0 HB3 GLU A 74 5.497 15.914 -4.823 1.00 54.24 H new ATOM 0 HG2 GLU A 74 3.225 14.561 -6.314 1.00 2.33 H new ATOM 0 HG3 GLU A 74 4.453 15.604 -7.003 1.00 2.33 H new ATOM 1145 N ASP A 75 4.134 16.263 -1.978 1.00 63.41 N ATOM 1146 CA ASP A 75 4.547 16.967 -0.766 1.00 34.04 C ATOM 1147 C ASP A 75 4.173 16.150 0.466 1.00 51.01 C ATOM 1148 O ASP A 75 4.805 16.246 1.520 1.00 64.24 O ATOM 1149 CB ASP A 75 3.912 18.359 -0.707 1.00 35.53 C ATOM 1150 CG ASP A 75 4.421 19.172 0.466 1.00 62.22 C ATOM 1151 OD1 ASP A 75 5.655 19.248 0.650 1.00 43.54 O ATOM 1152 OD2 ASP A 75 3.596 19.751 1.206 1.00 55.51 O ATOM 0 H ASP A 75 3.323 16.664 -2.448 1.00 63.41 H new ATOM 0 HA ASP A 75 5.630 17.092 -0.786 1.00 34.04 H new ATOM 0 HB2 ASP A 75 4.122 18.892 -1.634 1.00 35.53 H new ATOM 0 HB3 ASP A 75 2.829 18.259 -0.635 1.00 35.53 H new ATOM 1157 N ASP A 76 3.158 15.317 0.302 1.00 63.54 N ATOM 1158 CA ASP A 76 2.693 14.433 1.363 1.00 51.20 C ATOM 1159 C ASP A 76 3.668 13.268 1.561 1.00 44.22 C ATOM 1160 O ASP A 76 3.609 12.565 2.567 1.00 52.14 O ATOM 1161 CB ASP A 76 1.300 13.887 1.022 1.00 21.34 C ATOM 1162 CG ASP A 76 0.242 14.970 0.874 1.00 24.52 C ATOM 1163 OD1 ASP A 76 0.397 15.859 0.002 1.00 54.34 O ATOM 1164 OD2 ASP A 76 -0.763 14.923 1.611 1.00 14.22 O ATOM 0 H ASP A 76 2.633 15.233 -0.568 1.00 63.54 H new ATOM 0 HA ASP A 76 2.639 15.007 2.288 1.00 51.20 H new ATOM 0 HB2 ASP A 76 1.359 13.319 0.094 1.00 21.34 H new ATOM 0 HB3 ASP A 76 0.990 13.192 1.802 1.00 21.34 H new ATOM 1169 N LEU A 77 4.561 13.078 0.587 1.00 71.04 N ATOM 1170 CA LEU A 77 5.527 11.975 0.593 1.00 14.25 C ATOM 1171 C LEU A 77 6.327 11.948 1.891 1.00 53.10 C ATOM 1172 O LEU A 77 6.319 10.955 2.623 1.00 62.12 O ATOM 1173 CB LEU A 77 6.495 12.136 -0.588 1.00 65.22 C ATOM 1174 CG LEU A 77 6.840 10.864 -1.379 1.00 2.13 C ATOM 1175 CD1 LEU A 77 7.314 9.747 -0.462 1.00 42.40 C ATOM 1176 CD2 LEU A 77 5.653 10.409 -2.213 1.00 13.31 C ATOM 0 H LEU A 77 4.635 13.685 -0.229 1.00 71.04 H new ATOM 0 HA LEU A 77 4.974 11.040 0.506 1.00 14.25 H new ATOM 0 HB2 LEU A 77 6.068 12.862 -1.281 1.00 65.22 H new ATOM 0 HB3 LEU A 77 7.424 12.564 -0.210 1.00 65.22 H new ATOM 0 HG LEU A 77 7.661 11.108 -2.053 1.00 2.13 H new ATOM 0 HD11 LEU A 77 7.549 8.864 -1.056 1.00 42.40 H new ATOM 0 HD12 LEU A 77 8.206 10.071 0.075 1.00 42.40 H new ATOM 0 HD13 LEU A 77 6.528 9.505 0.253 1.00 42.40 H new ATOM 0 HD21 LEU A 77 5.920 9.507 -2.764 1.00 13.31 H new ATOM 0 HD22 LEU A 77 4.808 10.197 -1.558 1.00 13.31 H new ATOM 0 HD23 LEU A 77 5.379 11.196 -2.916 1.00 13.31 H new ATOM 1188 N ALA A 78 7.003 13.054 2.173 1.00 43.22 N ATOM 1189 CA ALA A 78 7.842 13.159 3.356 1.00 53.14 C ATOM 1190 C ALA A 78 7.011 13.049 4.627 1.00 3.32 C ATOM 1191 O ALA A 78 7.429 12.423 5.601 1.00 13.24 O ATOM 1192 CB ALA A 78 8.612 14.468 3.337 1.00 70.13 C ATOM 0 H ALA A 78 6.985 13.894 1.595 1.00 43.22 H new ATOM 0 HA ALA A 78 8.552 12.332 3.346 1.00 53.14 H new ATOM 0 HB1 ALA A 78 9.237 14.536 4.228 1.00 70.13 H new ATOM 0 HB2 ALA A 78 9.242 14.507 2.448 1.00 70.13 H new ATOM 0 HB3 ALA A 78 7.911 15.302 3.322 1.00 70.13 H new ATOM 1198 N GLY A 79 5.824 13.642 4.601 1.00 25.12 N ATOM 1199 CA GLY A 79 4.949 13.609 5.758 1.00 74.42 C ATOM 1200 C GLY A 79 4.491 12.203 6.087 1.00 20.55 C ATOM 1201 O GLY A 79 4.511 11.792 7.247 1.00 21.22 O ATOM 0 H GLY A 79 5.451 14.147 3.797 1.00 25.12 H new ATOM 0 HA2 GLY A 79 5.470 14.031 6.618 1.00 74.42 H new ATOM 0 HA3 GLY A 79 4.079 14.239 5.572 1.00 74.42 H new ATOM 1205 N ALA A 80 4.090 11.461 5.060 1.00 40.24 N ATOM 1206 CA ALA A 80 3.638 10.090 5.233 1.00 10.35 C ATOM 1207 C ALA A 80 4.764 9.215 5.764 1.00 74.32 C ATOM 1208 O ALA A 80 4.560 8.410 6.674 1.00 55.41 O ATOM 1209 CB ALA A 80 3.107 9.539 3.919 1.00 24.04 C ATOM 0 H ALA A 80 4.070 11.791 4.095 1.00 40.24 H new ATOM 0 HA ALA A 80 2.829 10.084 5.964 1.00 10.35 H new ATOM 0 HB1 ALA A 80 2.772 8.512 4.064 1.00 24.04 H new ATOM 0 HB2 ALA A 80 2.270 10.149 3.580 1.00 24.04 H new ATOM 0 HB3 ALA A 80 3.898 9.560 3.169 1.00 24.04 H new ATOM 1215 N ARG A 81 5.957 9.387 5.203 1.00 1.41 N ATOM 1216 CA ARG A 81 7.120 8.631 5.651 1.00 13.22 C ATOM 1217 C ARG A 81 7.416 8.922 7.116 1.00 45.40 C ATOM 1218 O ARG A 81 7.556 8.003 7.921 1.00 41.41 O ATOM 1219 CB ARG A 81 8.350 8.958 4.806 1.00 24.11 C ATOM 1220 CG ARG A 81 8.247 8.486 3.366 1.00 21.41 C ATOM 1221 CD ARG A 81 9.555 8.692 2.618 1.00 45.10 C ATOM 1222 NE ARG A 81 10.659 7.951 3.231 1.00 14.41 N ATOM 1223 CZ ARG A 81 11.917 7.969 2.785 1.00 61.30 C ATOM 1224 NH1 ARG A 81 12.250 8.685 1.715 1.00 63.32 N ATOM 1225 NH2 ARG A 81 12.846 7.263 3.412 1.00 4.21 N ATOM 0 H ARG A 81 6.143 10.040 4.441 1.00 1.41 H new ATOM 0 HA ARG A 81 6.889 7.572 5.534 1.00 13.22 H new ATOM 0 HB2 ARG A 81 8.509 10.036 4.815 1.00 24.11 H new ATOM 0 HB3 ARG A 81 9.227 8.503 5.266 1.00 24.11 H new ATOM 0 HG2 ARG A 81 7.978 7.430 3.346 1.00 21.41 H new ATOM 0 HG3 ARG A 81 7.448 9.028 2.860 1.00 21.41 H new ATOM 0 HD2 ARG A 81 9.435 8.373 1.583 1.00 45.10 H new ATOM 0 HD3 ARG A 81 9.798 9.754 2.598 1.00 45.10 H new ATOM 0 HE ARG A 81 10.453 7.384 4.053 1.00 14.41 H new ATOM 0 HH11 ARG A 81 11.540 9.229 1.225 1.00 63.32 H new ATOM 0 HH12 ARG A 81 13.215 8.690 1.385 1.00 63.32 H new ATOM 0 HH21 ARG A 81 12.599 6.709 4.232 1.00 4.21 H new ATOM 0 HH22 ARG A 81 13.809 7.274 3.075 1.00 4.21 H new ATOM 1239 N ARG A 82 7.496 10.205 7.454 1.00 22.21 N ATOM 1240 CA ARG A 82 7.771 10.628 8.824 1.00 34.21 C ATOM 1241 C ARG A 82 6.724 10.066 9.787 1.00 52.43 C ATOM 1242 O ARG A 82 7.064 9.567 10.863 1.00 61.00 O ATOM 1243 CB ARG A 82 7.799 12.161 8.900 1.00 54.15 C ATOM 1244 CG ARG A 82 7.916 12.715 10.313 1.00 22.33 C ATOM 1245 CD ARG A 82 9.233 12.340 10.974 1.00 34.33 C ATOM 1246 NE ARG A 82 9.255 12.741 12.380 1.00 44.41 N ATOM 1247 CZ ARG A 82 10.359 12.865 13.115 1.00 64.51 C ATOM 1248 NH1 ARG A 82 11.555 12.651 12.586 1.00 45.15 N ATOM 1249 NH2 ARG A 82 10.259 13.225 14.388 1.00 62.11 N ATOM 0 H ARG A 82 7.374 10.974 6.795 1.00 22.21 H new ATOM 0 HA ARG A 82 8.745 10.239 9.120 1.00 34.21 H new ATOM 0 HB2 ARG A 82 8.638 12.527 8.308 1.00 54.15 H new ATOM 0 HB3 ARG A 82 6.890 12.553 8.443 1.00 54.15 H new ATOM 0 HG2 ARG A 82 7.823 13.801 10.284 1.00 22.33 H new ATOM 0 HG3 ARG A 82 7.090 12.341 10.917 1.00 22.33 H new ATOM 0 HD2 ARG A 82 9.387 11.264 10.898 1.00 34.33 H new ATOM 0 HD3 ARG A 82 10.057 12.818 10.444 1.00 34.33 H new ATOM 0 HE ARG A 82 8.361 12.940 12.830 1.00 44.41 H new ATOM 0 HH11 ARG A 82 11.639 12.388 11.604 1.00 45.15 H new ATOM 0 HH12 ARG A 82 12.392 12.750 13.161 1.00 45.15 H new ATOM 0 HH21 ARG A 82 9.342 13.404 14.797 1.00 62.11 H new ATOM 0 HH22 ARG A 82 11.099 13.322 14.958 1.00 62.11 H new ATOM 1263 N LEU A 83 5.459 10.140 9.382 1.00 63.24 N ATOM 1264 CA LEU A 83 4.355 9.652 10.199 1.00 62.13 C ATOM 1265 C LEU A 83 4.506 8.161 10.491 1.00 20.11 C ATOM 1266 O LEU A 83 4.503 7.741 11.651 1.00 43.12 O ATOM 1267 CB LEU A 83 3.026 9.916 9.485 1.00 2.31 C ATOM 1268 CG LEU A 83 1.776 9.514 10.266 1.00 64.51 C ATOM 1269 CD1 LEU A 83 1.671 10.316 11.553 1.00 72.03 C ATOM 1270 CD2 LEU A 83 0.531 9.702 9.410 1.00 24.20 C ATOM 0 H LEU A 83 5.173 10.536 8.487 1.00 63.24 H new ATOM 0 HA LEU A 83 4.368 10.186 11.149 1.00 62.13 H new ATOM 0 HB2 LEU A 83 2.963 10.979 9.251 1.00 2.31 H new ATOM 0 HB3 LEU A 83 3.029 9.380 8.536 1.00 2.31 H new ATOM 0 HG LEU A 83 1.855 8.459 10.528 1.00 64.51 H new ATOM 0 HD11 LEU A 83 0.775 10.016 12.096 1.00 72.03 H new ATOM 0 HD12 LEU A 83 2.549 10.129 12.171 1.00 72.03 H new ATOM 0 HD13 LEU A 83 1.613 11.378 11.316 1.00 72.03 H new ATOM 0 HD21 LEU A 83 -0.351 9.411 9.981 1.00 24.20 H new ATOM 0 HD22 LEU A 83 0.445 10.749 9.118 1.00 24.20 H new ATOM 0 HD23 LEU A 83 0.606 9.081 8.517 1.00 24.20 H new ATOM 1282 N LEU A 84 4.644 7.373 9.434 1.00 55.23 N ATOM 1283 CA LEU A 84 4.785 5.928 9.569 1.00 3.51 C ATOM 1284 C LEU A 84 6.060 5.561 10.327 1.00 75.31 C ATOM 1285 O LEU A 84 6.102 4.551 11.028 1.00 64.41 O ATOM 1286 CB LEU A 84 4.775 5.257 8.194 1.00 73.34 C ATOM 1287 CG LEU A 84 3.503 5.483 7.370 1.00 2.33 C ATOM 1288 CD1 LEU A 84 3.620 4.808 6.012 1.00 61.33 C ATOM 1289 CD2 LEU A 84 2.280 4.971 8.120 1.00 64.33 C ATOM 0 H LEU A 84 4.661 7.710 8.471 1.00 55.23 H new ATOM 0 HA LEU A 84 3.934 5.565 10.145 1.00 3.51 H new ATOM 0 HB2 LEU A 84 5.629 5.621 7.623 1.00 73.34 H new ATOM 0 HB3 LEU A 84 4.916 4.185 8.329 1.00 73.34 H new ATOM 0 HG LEU A 84 3.383 6.555 7.211 1.00 2.33 H new ATOM 0 HD11 LEU A 84 2.708 4.979 5.441 1.00 61.33 H new ATOM 0 HD12 LEU A 84 4.470 5.224 5.471 1.00 61.33 H new ATOM 0 HD13 LEU A 84 3.766 3.737 6.150 1.00 61.33 H new ATOM 0 HD21 LEU A 84 1.387 5.141 7.518 1.00 64.33 H new ATOM 0 HD22 LEU A 84 2.391 3.904 8.312 1.00 64.33 H new ATOM 0 HD23 LEU A 84 2.186 5.502 9.067 1.00 64.33 H new ATOM 1301 N THR A 85 7.093 6.388 10.196 1.00 20.12 N ATOM 1302 CA THR A 85 8.347 6.156 10.902 1.00 25.31 C ATOM 1303 C THR A 85 8.158 6.314 12.412 1.00 50.12 C ATOM 1304 O THR A 85 8.652 5.500 13.194 1.00 1.43 O ATOM 1305 CB THR A 85 9.456 7.114 10.413 1.00 14.21 C ATOM 1306 OG1 THR A 85 9.670 6.934 9.008 1.00 45.22 O ATOM 1307 CG2 THR A 85 10.762 6.867 11.160 1.00 72.35 C ATOM 0 H THR A 85 7.086 7.222 9.609 1.00 20.12 H new ATOM 0 HA THR A 85 8.655 5.133 10.686 1.00 25.31 H new ATOM 0 HB THR A 85 9.132 8.136 10.609 1.00 14.21 H new ATOM 0 HG1 THR A 85 8.837 7.115 8.524 1.00 45.22 H new ATOM 0 HG21 THR A 85 11.525 7.555 10.796 1.00 72.35 H new ATOM 0 HG22 THR A 85 10.607 7.028 12.227 1.00 72.35 H new ATOM 0 HG23 THR A 85 11.089 5.841 10.992 1.00 72.35 H new ATOM 1315 N ASP A 86 7.423 7.346 12.815 1.00 54.23 N ATOM 1316 CA ASP A 86 7.174 7.600 14.234 1.00 11.41 C ATOM 1317 C ASP A 86 6.265 6.526 14.819 1.00 60.51 C ATOM 1318 O ASP A 86 6.413 6.132 15.975 1.00 22.11 O ATOM 1319 CB ASP A 86 6.549 8.984 14.435 1.00 23.25 C ATOM 1320 CG ASP A 86 6.390 9.343 15.902 1.00 5.11 C ATOM 1321 OD1 ASP A 86 7.405 9.682 16.545 1.00 12.53 O ATOM 1322 OD2 ASP A 86 5.251 9.300 16.414 1.00 54.42 O ATOM 0 H ASP A 86 6.990 8.019 12.183 1.00 54.23 H new ATOM 0 HA ASP A 86 8.131 7.571 14.756 1.00 11.41 H new ATOM 0 HB2 ASP A 86 7.170 9.734 13.946 1.00 23.25 H new ATOM 0 HB3 ASP A 86 5.574 9.013 13.950 1.00 23.25 H new ATOM 1327 N ALA A 87 5.342 6.040 14.001 1.00 54.44 N ATOM 1328 CA ALA A 87 4.406 5.005 14.430 1.00 32.54 C ATOM 1329 C ALA A 87 5.038 3.612 14.372 1.00 63.30 C ATOM 1330 O ALA A 87 4.416 2.625 14.762 1.00 13.01 O ATOM 1331 CB ALA A 87 3.148 5.048 13.576 1.00 73.11 C ATOM 0 H ALA A 87 5.220 6.345 13.035 1.00 54.44 H new ATOM 0 HA ALA A 87 4.142 5.206 15.468 1.00 32.54 H new ATOM 0 HB1 ALA A 87 2.458 4.271 13.906 1.00 73.11 H new ATOM 0 HB2 ALA A 87 2.672 6.023 13.678 1.00 73.11 H new ATOM 0 HB3 ALA A 87 3.411 4.880 12.532 1.00 73.11 H new ATOM 1337 N GLY A 88 6.268 3.540 13.873 1.00 3.34 N ATOM 1338 CA GLY A 88 6.969 2.268 13.789 1.00 60.32 C ATOM 1339 C GLY A 88 6.410 1.358 12.707 1.00 64.43 C ATOM 1340 O GLY A 88 6.611 0.143 12.736 1.00 72.03 O ATOM 0 H GLY A 88 6.794 4.341 13.524 1.00 3.34 H new ATOM 0 HA2 GLY A 88 8.025 2.453 13.592 1.00 60.32 H new ATOM 0 HA3 GLY A 88 6.908 1.760 14.752 1.00 60.32 H new ATOM 1344 N LEU A 89 5.726 1.951 11.738 1.00 23.11 N ATOM 1345 CA LEU A 89 5.092 1.187 10.672 1.00 73.21 C ATOM 1346 C LEU A 89 5.874 1.321 9.370 1.00 41.41 C ATOM 1347 O LEU A 89 5.412 0.906 8.304 1.00 12.32 O ATOM 1348 CB LEU A 89 3.644 1.643 10.475 1.00 5.10 C ATOM 1349 CG LEU A 89 2.733 1.466 11.696 1.00 3.43 C ATOM 1350 CD1 LEU A 89 1.308 1.869 11.352 1.00 62.31 C ATOM 1351 CD2 LEU A 89 2.772 0.028 12.194 1.00 72.12 C ATOM 0 H LEU A 89 5.596 2.960 11.668 1.00 23.11 H new ATOM 0 HA LEU A 89 5.089 0.136 10.962 1.00 73.21 H new ATOM 0 HB2 LEU A 89 3.646 2.696 10.193 1.00 5.10 H new ATOM 0 HB3 LEU A 89 3.216 1.090 9.639 1.00 5.10 H new ATOM 0 HG LEU A 89 3.097 2.113 12.494 1.00 3.43 H new ATOM 0 HD11 LEU A 89 0.672 1.739 12.227 1.00 62.31 H new ATOM 0 HD12 LEU A 89 1.290 2.914 11.043 1.00 62.31 H new ATOM 0 HD13 LEU A 89 0.939 1.244 10.539 1.00 62.31 H new ATOM 0 HD21 LEU A 89 2.119 -0.075 13.060 1.00 72.12 H new ATOM 0 HD22 LEU A 89 2.433 -0.640 11.403 1.00 72.12 H new ATOM 0 HD23 LEU A 89 3.792 -0.232 12.476 1.00 72.12 H new ATOM 1363 N ALA A 90 7.068 1.902 9.464 1.00 40.01 N ATOM 1364 CA ALA A 90 7.968 1.992 8.324 1.00 60.31 C ATOM 1365 C ALA A 90 8.573 0.624 8.047 1.00 61.53 C ATOM 1366 O ALA A 90 9.712 0.345 8.415 1.00 20.33 O ATOM 1367 CB ALA A 90 9.056 3.032 8.572 1.00 2.01 C ATOM 0 H ALA A 90 7.432 2.317 10.321 1.00 40.01 H new ATOM 0 HA ALA A 90 7.403 2.312 7.448 1.00 60.31 H new ATOM 0 HB1 ALA A 90 9.716 3.081 7.706 1.00 2.01 H new ATOM 0 HB2 ALA A 90 8.597 4.007 8.734 1.00 2.01 H new ATOM 0 HB3 ALA A 90 9.633 2.752 9.453 1.00 2.01 H new ATOM 1373 N HIS A 91 7.776 -0.233 7.431 1.00 64.33 N ATOM 1374 CA HIS A 91 8.146 -1.624 7.232 1.00 65.10 C ATOM 1375 C HIS A 91 7.907 -2.036 5.784 1.00 11.45 C ATOM 1376 O HIS A 91 8.792 -2.573 5.124 1.00 2.14 O ATOM 1377 CB HIS A 91 7.310 -2.500 8.173 1.00 13.54 C ATOM 1378 CG HIS A 91 7.824 -3.895 8.370 1.00 53.15 C ATOM 1379 ND1 HIS A 91 7.868 -4.493 9.608 1.00 14.33 N ATOM 1380 CD2 HIS A 91 8.289 -4.815 7.493 1.00 34.20 C ATOM 1381 CE1 HIS A 91 8.338 -5.719 9.489 1.00 23.40 C ATOM 1382 NE2 HIS A 91 8.601 -5.941 8.215 1.00 71.33 N ATOM 0 H HIS A 91 6.860 0.014 7.057 1.00 64.33 H new ATOM 0 HA HIS A 91 9.206 -1.752 7.453 1.00 65.10 H new ATOM 0 HB2 HIS A 91 7.253 -2.010 9.145 1.00 13.54 H new ATOM 0 HB3 HIS A 91 6.293 -2.556 7.784 1.00 13.54 H new ATOM 0 HD2 HIS A 91 8.395 -4.688 6.426 1.00 34.20 H new ATOM 0 HE1 HIS A 91 8.483 -6.422 10.296 1.00 23.40 H new ATOM 0 HE2 HIS A 91 8.975 -6.808 7.829 1.00 71.33 H new ATOM 1391 N GLU A 92 6.702 -1.763 5.302 1.00 75.42 N ATOM 1392 CA GLU A 92 6.295 -2.168 3.963 1.00 32.43 C ATOM 1393 C GLU A 92 6.591 -1.070 2.947 1.00 14.43 C ATOM 1394 O GLU A 92 6.173 -1.150 1.792 1.00 14.42 O ATOM 1395 CB GLU A 92 4.801 -2.487 3.957 1.00 2.24 C ATOM 1396 CG GLU A 92 4.394 -3.488 5.028 1.00 35.32 C ATOM 1397 CD GLU A 92 4.958 -4.871 4.787 1.00 14.31 C ATOM 1398 OE1 GLU A 92 6.107 -5.129 5.194 1.00 21.13 O ATOM 1399 OE2 GLU A 92 4.246 -5.707 4.190 1.00 51.31 O ATOM 0 H GLU A 92 5.984 -1.259 5.823 1.00 75.42 H new ATOM 0 HA GLU A 92 6.862 -3.056 3.683 1.00 32.43 H new ATOM 0 HB2 GLU A 92 4.239 -1.564 4.100 1.00 2.24 H new ATOM 0 HB3 GLU A 92 4.525 -2.880 2.979 1.00 2.24 H new ATOM 0 HG2 GLU A 92 4.730 -3.129 6.001 1.00 35.32 H new ATOM 0 HG3 GLU A 92 3.306 -3.547 5.069 1.00 35.32 H new ATOM 1406 N LEU A 93 7.310 -0.045 3.386 1.00 15.52 N ATOM 1407 CA LEU A 93 7.637 1.084 2.525 1.00 73.11 C ATOM 1408 C LEU A 93 8.699 0.685 1.511 1.00 33.20 C ATOM 1409 O LEU A 93 9.691 0.046 1.861 1.00 13.33 O ATOM 1410 CB LEU A 93 8.122 2.283 3.349 1.00 62.10 C ATOM 1411 CG LEU A 93 7.031 3.079 4.086 1.00 63.43 C ATOM 1412 CD1 LEU A 93 6.387 2.251 5.188 1.00 73.50 C ATOM 1413 CD2 LEU A 93 7.609 4.362 4.661 1.00 50.32 C ATOM 0 H LEU A 93 7.678 0.028 4.334 1.00 15.52 H new ATOM 0 HA LEU A 93 6.731 1.377 1.995 1.00 73.11 H new ATOM 0 HB2 LEU A 93 8.843 1.926 4.084 1.00 62.10 H new ATOM 0 HB3 LEU A 93 8.655 2.964 2.685 1.00 62.10 H new ATOM 0 HG LEU A 93 6.257 3.332 3.361 1.00 63.43 H new ATOM 0 HD11 LEU A 93 5.621 2.844 5.688 1.00 73.50 H new ATOM 0 HD12 LEU A 93 5.932 1.360 4.755 1.00 73.50 H new ATOM 0 HD13 LEU A 93 7.146 1.955 5.912 1.00 73.50 H new ATOM 0 HD21 LEU A 93 6.825 4.914 5.179 1.00 50.32 H new ATOM 0 HD22 LEU A 93 8.407 4.119 5.363 1.00 50.32 H new ATOM 0 HD23 LEU A 93 8.011 4.974 3.853 1.00 50.32 H new ATOM 1425 N ARG A 94 8.480 1.063 0.258 1.00 44.53 N ATOM 1426 CA ARG A 94 9.378 0.703 -0.827 1.00 62.51 C ATOM 1427 C ARG A 94 9.372 1.769 -1.908 1.00 55.03 C ATOM 1428 O ARG A 94 8.500 2.633 -1.941 1.00 72.11 O ATOM 1429 CB ARG A 94 8.975 -0.634 -1.453 1.00 21.20 C ATOM 1430 CG ARG A 94 9.373 -1.848 -0.640 1.00 1.42 C ATOM 1431 CD ARG A 94 8.980 -3.127 -1.348 1.00 54.42 C ATOM 1432 NE ARG A 94 9.519 -4.308 -0.683 1.00 5.43 N ATOM 1433 CZ ARG A 94 10.002 -5.367 -1.332 1.00 3.05 C ATOM 1434 NH1 ARG A 94 9.980 -5.403 -2.660 1.00 12.33 N ATOM 1435 NH2 ARG A 94 10.505 -6.389 -0.657 1.00 32.30 N ATOM 0 H ARG A 94 7.679 1.624 -0.032 1.00 44.53 H new ATOM 0 HA ARG A 94 10.379 0.617 -0.403 1.00 62.51 H new ATOM 0 HB2 ARG A 94 7.894 -0.644 -1.595 1.00 21.20 H new ATOM 0 HB3 ARG A 94 9.427 -0.710 -2.442 1.00 21.20 H new ATOM 0 HG2 ARG A 94 10.449 -1.839 -0.469 1.00 1.42 H new ATOM 0 HG3 ARG A 94 8.894 -1.808 0.338 1.00 1.42 H new ATOM 0 HD2 ARG A 94 7.893 -3.199 -1.390 1.00 54.42 H new ATOM 0 HD3 ARG A 94 9.337 -3.096 -2.377 1.00 54.42 H new ATOM 0 HE ARG A 94 9.527 -4.324 0.337 1.00 5.43 H new ATOM 0 HH11 ARG A 94 9.593 -4.619 -3.185 1.00 12.33 H new ATOM 0 HH12 ARG A 94 10.350 -6.215 -3.154 1.00 12.33 H new ATOM 0 HH21 ARG A 94 10.524 -6.367 0.363 1.00 32.30 H new ATOM 0 HH22 ARG A 94 10.874 -7.198 -1.157 1.00 32.30 H new ATOM 1449 N SER A 95 10.357 1.700 -2.782 1.00 53.53 N ATOM 1450 CA SER A 95 10.418 2.551 -3.957 1.00 71.42 C ATOM 1451 C SER A 95 11.205 1.839 -5.048 1.00 33.54 C ATOM 1452 O SER A 95 12.201 1.175 -4.762 1.00 32.24 O ATOM 1453 CB SER A 95 11.068 3.899 -3.621 1.00 3.52 C ATOM 1454 OG SER A 95 10.307 4.607 -2.656 1.00 55.22 O ATOM 0 H SER A 95 11.140 1.051 -2.698 1.00 53.53 H new ATOM 0 HA SER A 95 9.405 2.748 -4.308 1.00 71.42 H new ATOM 0 HB2 SER A 95 12.077 3.735 -3.244 1.00 3.52 H new ATOM 0 HB3 SER A 95 11.160 4.498 -4.527 1.00 3.52 H new ATOM 0 HG SER A 95 9.521 4.077 -2.406 1.00 55.22 H new ATOM 1460 N ASP A 96 10.747 1.950 -6.286 1.00 42.13 N ATOM 1461 CA ASP A 96 11.438 1.327 -7.405 1.00 64.41 C ATOM 1462 C ASP A 96 12.606 2.198 -7.828 1.00 33.24 C ATOM 1463 O ASP A 96 12.494 3.018 -8.740 1.00 60.30 O ATOM 1464 CB ASP A 96 10.490 1.093 -8.582 1.00 54.30 C ATOM 1465 CG ASP A 96 9.489 -0.014 -8.317 1.00 32.02 C ATOM 1466 OD1 ASP A 96 9.833 -1.196 -8.537 1.00 74.13 O ATOM 1467 OD2 ASP A 96 8.348 0.290 -7.899 1.00 23.13 O ATOM 0 H ASP A 96 9.903 2.463 -6.541 1.00 42.13 H new ATOM 0 HA ASP A 96 11.810 0.354 -7.085 1.00 64.41 H new ATOM 0 HB2 ASP A 96 9.954 2.017 -8.801 1.00 54.30 H new ATOM 0 HB3 ASP A 96 11.073 0.845 -9.469 1.00 54.30 H new ATOM 1472 N ASP A 97 13.716 2.039 -7.132 1.00 15.31 N ATOM 1473 CA ASP A 97 14.887 2.876 -7.342 1.00 64.42 C ATOM 1474 C ASP A 97 16.038 2.052 -7.902 1.00 3.43 C ATOM 1475 O ASP A 97 16.583 1.208 -7.159 1.00 0.00 O ATOM 1476 CB ASP A 97 15.297 3.541 -6.024 1.00 64.53 C ATOM 1477 CG ASP A 97 16.581 4.336 -6.141 1.00 2.13 C ATOM 1478 OD1 ASP A 97 16.578 5.394 -6.806 1.00 43.31 O ATOM 1479 OD2 ASP A 97 17.600 3.910 -5.559 1.00 73.32 O ATOM 1480 OXT ASP A 97 16.390 2.245 -9.084 1.00 0.00 O ATOM 0 H ASP A 97 13.833 1.330 -6.408 1.00 15.31 H new ATOM 0 HA ASP A 97 14.638 3.652 -8.066 1.00 64.42 H new ATOM 0 HB2 ASP A 97 14.496 4.201 -5.691 1.00 64.53 H new ATOM 0 HB3 ASP A 97 15.418 2.775 -5.258 1.00 64.53 H new TER 1485 ASP A 97