USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 972 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: B 19 TYR OH : rot 180:sc= -0.0196 USER MOD Set 1.2: B 20 MET CE :methyl 137:sc= -0.302 (180deg=-0.852) USER MOD Set 2.1: A 19 TYR OH : rot -94:sc= 0.735 USER MOD Set 2.2: A 20 MET CE :methyl -115:sc= -3.18 (180deg=-8.07!) USER MOD Single : A 1 MET CE :methyl 146:sc= -3.92! (180deg=-5.96!) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0038 (180deg=-0.195) USER MOD Single : A 3 MET CE :methyl 140:sc= -5.02! (180deg=-13.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 9 ASN : amide:sc= -1.06 K(o=-1.1,f=-5!) USER MOD Single : A 14 GLN : amide:sc= 0.409 X(o=0.41,f=0) USER MOD Single : A 22 THR OG1 : rot -22:sc= 0.339 USER MOD Single : A 23 GLN : amide:sc= 0.0429 K(o=0.043,f=-4.9!) USER MOD Single : A 28 THR OG1 : rot 68:sc= 0.759 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-0.93) USER MOD Single : A 33 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A 34 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 44 GLN :FLIP amide:sc= 0.237 F(o=-1.1,f=0.24) USER MOD Single : A 58 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.8) USER MOD Single : B 1 MET CE :methyl 147:sc= -4.29! (180deg=-6.26!) USER MOD Single : B 1 MET N :NH3+ -157:sc=-0.00532 (180deg=-0.179) USER MOD Single : B 3 MET CE :methyl -124:sc= -5.13 (180deg=-12.2!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.131 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -1.04 K(o=-1,f=-5.3!) USER MOD Single : B 14 GLN : amide:sc= 0.546 K(o=0.55,f=-0.043) USER MOD Single : B 22 THR OG1 : rot -34:sc= 0.167 USER MOD Single : B 23 GLN :FLIP amide:sc= -0.0225 F(o=-0.58,f=-0.022) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.767 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 32 HIS : no HD1:sc= -0.722 X(o=-0.72,f=-1) USER MOD Single : B 33 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.032) USER MOD Single : B 34 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.4!) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 43 SER OG : rot 180:sc= 0.055 USER MOD Single : B 44 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.2) USER MOD Single : B 58 ASN : amide:sc= -0.0503 K(o=-0.05,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.252 -11.212 -4.376 1.00 0.00 N ATOM 2 CA MET A 1 -1.488 -10.358 -5.278 1.00 0.00 C ATOM 3 C MET A 1 -1.607 -10.844 -6.719 1.00 0.00 C ATOM 4 O MET A 1 -1.245 -11.979 -7.033 1.00 0.00 O ATOM 5 CB MET A 1 -0.017 -10.325 -4.858 1.00 0.00 C ATOM 6 CG MET A 1 0.208 -9.727 -3.479 1.00 0.00 C ATOM 7 SD MET A 1 1.280 -8.278 -3.516 1.00 0.00 S ATOM 8 CE MET A 1 0.371 -7.213 -4.633 1.00 0.00 C ATOM 0 H1 MET A 1 -2.457 -10.694 -3.498 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.145 -11.487 -4.832 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.700 -12.065 -4.154 1.00 0.00 H new ATOM 0 HA MET A 1 -1.898 -9.350 -5.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.380 -11.340 -4.874 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.549 -9.750 -5.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.753 -9.452 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.647 -10.482 -2.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.499 -6.174 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.747 -7.344 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.687 -7.472 -4.602 1.00 0.00 H new ATOM 18 N LEU A 2 -2.115 -9.980 -7.590 1.00 0.00 N ATOM 19 CA LEU A 2 -2.282 -10.322 -8.998 1.00 0.00 C ATOM 20 C LEU A 2 -1.491 -9.367 -9.887 1.00 0.00 C ATOM 21 O LEU A 2 -1.730 -8.160 -9.886 1.00 0.00 O ATOM 22 CB LEU A 2 -3.762 -10.284 -9.380 1.00 0.00 C ATOM 23 CG LEU A 2 -4.243 -11.397 -10.313 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.713 -11.210 -10.654 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.401 -11.431 -11.580 1.00 0.00 C ATOM 0 H LEU A 2 -2.419 -9.037 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.900 -11.332 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.354 -10.323 -8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.970 -9.325 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.129 -12.351 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.037 -12.011 -11.318 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.305 -11.236 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.852 -10.249 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.757 -12.229 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.483 -10.475 -12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.359 -11.614 -11.319 1.00 0.00 H new ATOM 37 N MET A 3 -0.550 -9.918 -10.647 1.00 0.00 N ATOM 38 CA MET A 3 0.274 -9.115 -11.544 1.00 0.00 C ATOM 39 C MET A 3 -0.593 -8.350 -12.539 1.00 0.00 C ATOM 40 O MET A 3 -1.289 -8.948 -13.359 1.00 0.00 O ATOM 41 CB MET A 3 1.265 -10.007 -12.295 1.00 0.00 C ATOM 42 CG MET A 3 2.588 -9.322 -12.598 1.00 0.00 C ATOM 43 SD MET A 3 3.361 -9.941 -14.105 1.00 0.00 S ATOM 44 CE MET A 3 4.239 -8.481 -14.659 1.00 0.00 C ATOM 0 H MET A 3 -0.339 -10.916 -10.660 1.00 0.00 H new ATOM 0 HA MET A 3 0.828 -8.395 -10.942 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.456 -10.903 -11.704 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.811 -10.333 -13.231 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.424 -8.249 -12.693 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.269 -9.467 -11.759 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.216 -8.769 -15.046 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.667 -7.989 -15.446 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.369 -7.795 -13.822 1.00 0.00 H new ATOM 54 N ILE A 4 -0.546 -7.024 -12.460 1.00 0.00 N ATOM 55 CA ILE A 4 -1.326 -6.178 -13.354 1.00 0.00 C ATOM 56 C ILE A 4 -0.729 -6.162 -14.756 1.00 0.00 C ATOM 57 O ILE A 4 -1.438 -6.337 -15.748 1.00 0.00 O ATOM 58 CB ILE A 4 -1.413 -4.732 -12.828 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.165 -4.695 -11.496 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.093 -3.836 -13.852 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.514 -5.379 -11.544 1.00 0.00 C ATOM 0 H ILE A 4 0.024 -6.513 -11.786 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.329 -6.602 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.402 -4.359 -12.663 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.553 -5.170 -10.729 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.304 -3.657 -11.195 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.147 -2.818 -13.466 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.520 -3.843 -14.779 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.100 -4.204 -14.046 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.990 -5.314 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.144 -4.890 -12.287 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.381 -6.427 -11.814 1.00 0.00 H new ATOM 73 N THR A 5 0.582 -5.952 -14.833 1.00 0.00 N ATOM 74 CA THR A 5 1.276 -5.913 -16.114 1.00 0.00 C ATOM 75 C THR A 5 2.784 -5.805 -15.919 1.00 0.00 C ATOM 76 O THR A 5 3.272 -5.762 -14.790 1.00 0.00 O ATOM 77 CB THR A 5 0.795 -4.733 -16.979 1.00 0.00 C ATOM 78 OG1 THR A 5 1.278 -4.878 -18.319 1.00 0.00 O ATOM 79 CG2 THR A 5 1.275 -3.409 -16.402 1.00 0.00 C ATOM 0 H THR A 5 1.184 -5.806 -14.023 1.00 0.00 H new ATOM 0 HA THR A 5 1.045 -6.847 -16.627 1.00 0.00 H new ATOM 0 HB THR A 5 -0.295 -4.736 -16.984 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.966 -4.124 -18.862 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.923 -2.590 -17.029 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.881 -3.288 -15.393 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.364 -3.400 -16.370 1.00 0.00 H new ATOM 87 N SER A 6 3.517 -5.760 -17.027 1.00 0.00 N ATOM 88 CA SER A 6 4.971 -5.660 -16.978 1.00 0.00 C ATOM 89 C SER A 6 5.471 -4.554 -17.903 1.00 0.00 C ATOM 90 O SER A 6 5.089 -4.487 -19.072 1.00 0.00 O ATOM 91 CB SER A 6 5.609 -6.994 -17.367 1.00 0.00 C ATOM 92 OG SER A 6 5.930 -7.022 -18.747 1.00 0.00 O ATOM 0 H SER A 6 3.128 -5.791 -17.969 1.00 0.00 H new ATOM 0 HA SER A 6 5.259 -5.413 -15.956 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.511 -7.155 -16.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.925 -7.810 -17.133 1.00 0.00 H new ATOM 0 HG SER A 6 6.338 -7.885 -18.971 1.00 0.00 H new ATOM 98 N PHE A 7 6.328 -3.689 -17.372 1.00 0.00 N ATOM 99 CA PHE A 7 6.881 -2.586 -18.148 1.00 0.00 C ATOM 100 C PHE A 7 8.402 -2.678 -18.219 1.00 0.00 C ATOM 101 O PHE A 7 9.021 -3.460 -17.498 1.00 0.00 O ATOM 102 CB PHE A 7 6.468 -1.246 -17.535 1.00 0.00 C ATOM 103 CG PHE A 7 5.005 -0.942 -17.687 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.369 -1.122 -18.905 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.265 -0.476 -16.612 1.00 0.00 C ATOM 106 CE1 PHE A 7 3.023 -0.844 -19.048 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.919 -0.196 -16.749 1.00 0.00 C ATOM 108 CZ PHE A 7 2.297 -0.380 -17.969 1.00 0.00 C ATOM 0 H PHE A 7 6.655 -3.731 -16.407 1.00 0.00 H new ATOM 0 HA PHE A 7 6.484 -2.653 -19.161 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.722 -1.247 -16.475 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.047 -0.449 -18.001 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.932 -1.484 -19.753 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.746 -0.330 -15.656 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.539 -0.989 -20.003 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.354 0.166 -15.903 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.245 -0.161 -18.078 1.00 0.00 H new ATOM 118 N ALA A 8 8.998 -1.875 -19.094 1.00 0.00 N ATOM 119 CA ALA A 8 10.446 -1.865 -19.259 1.00 0.00 C ATOM 120 C ALA A 8 11.007 -0.456 -19.097 1.00 0.00 C ATOM 121 O ALA A 8 11.963 -0.077 -19.772 1.00 0.00 O ATOM 122 CB ALA A 8 10.827 -2.434 -20.617 1.00 0.00 C ATOM 0 H ALA A 8 8.500 -1.223 -19.700 1.00 0.00 H new ATOM 0 HA ALA A 8 10.880 -2.493 -18.480 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.911 -2.420 -20.726 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.467 -3.460 -20.695 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.375 -1.830 -21.404 1.00 0.00 H new ATOM 128 N ASN A 9 10.405 0.317 -18.199 1.00 0.00 N ATOM 129 CA ASN A 9 10.844 1.685 -17.950 1.00 0.00 C ATOM 130 C ASN A 9 10.280 2.206 -16.632 1.00 0.00 C ATOM 131 O ASN A 9 9.148 1.907 -16.251 1.00 0.00 O ATOM 132 CB ASN A 9 10.412 2.598 -19.099 1.00 0.00 C ATOM 133 CG ASN A 9 11.575 3.009 -19.980 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.706 3.146 -19.511 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.303 3.209 -21.265 1.00 0.00 N ATOM 0 H ASN A 9 9.612 0.019 -17.632 1.00 0.00 H new ATOM 0 HA ASN A 9 11.932 1.685 -17.884 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.664 2.086 -19.705 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.936 3.490 -18.691 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.046 3.488 -21.906 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.351 3.084 -21.610 1.00 0.00 H new ATOM 142 N PRO A 10 11.087 3.005 -15.918 1.00 0.00 N ATOM 143 CA PRO A 10 10.690 3.586 -14.632 1.00 0.00 C ATOM 144 C PRO A 10 9.610 4.651 -14.786 1.00 0.00 C ATOM 145 O PRO A 10 8.617 4.651 -14.058 1.00 0.00 O ATOM 146 CB PRO A 10 11.986 4.211 -14.110 1.00 0.00 C ATOM 147 CG PRO A 10 12.790 4.492 -15.332 1.00 0.00 C ATOM 148 CD PRO A 10 12.449 3.403 -16.312 1.00 0.00 C ATOM 0 HA PRO A 10 10.261 2.840 -13.963 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.787 5.124 -13.548 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.511 3.531 -13.438 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.549 5.474 -15.740 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.856 4.493 -15.106 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.481 3.763 -17.340 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.147 2.569 -16.245 1.00 0.00 H new ATOM 156 N ARG A 11 9.809 5.556 -15.738 1.00 0.00 N ATOM 157 CA ARG A 11 8.851 6.627 -15.986 1.00 0.00 C ATOM 158 C ARG A 11 7.440 6.069 -16.140 1.00 0.00 C ATOM 159 O ARG A 11 6.506 6.522 -15.478 1.00 0.00 O ATOM 160 CB ARG A 11 9.242 7.409 -17.242 1.00 0.00 C ATOM 161 CG ARG A 11 8.925 8.893 -17.158 1.00 0.00 C ATOM 162 CD ARG A 11 9.874 9.714 -18.018 1.00 0.00 C ATOM 163 NE ARG A 11 9.232 10.915 -18.547 1.00 0.00 N ATOM 164 CZ ARG A 11 9.887 11.875 -19.190 1.00 0.00 C ATOM 165 NH1 ARG A 11 11.194 11.776 -19.384 1.00 0.00 N ATOM 166 NH2 ARG A 11 9.233 12.938 -19.642 1.00 0.00 N ATOM 0 H ARG A 11 10.625 5.569 -16.350 1.00 0.00 H new ATOM 0 HA ARG A 11 8.865 7.300 -15.128 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.310 7.284 -17.420 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.723 6.983 -18.101 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.898 9.066 -17.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.994 9.223 -16.121 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.745 9.999 -17.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.236 9.102 -18.844 1.00 0.00 H new ATOM 0 HE ARG A 11 8.226 11.022 -18.415 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.700 10.961 -19.039 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.694 12.515 -19.878 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.227 13.018 -19.496 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.737 13.675 -20.136 1.00 0.00 H new ATOM 180 N VAL A 12 7.291 5.083 -17.019 1.00 0.00 N ATOM 181 CA VAL A 12 5.994 4.463 -17.261 1.00 0.00 C ATOM 182 C VAL A 12 5.452 3.812 -15.993 1.00 0.00 C ATOM 183 O VAL A 12 4.351 4.127 -15.544 1.00 0.00 O ATOM 184 CB VAL A 12 6.078 3.402 -18.374 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.741 2.695 -18.540 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.520 4.038 -19.683 1.00 0.00 C ATOM 0 H VAL A 12 8.053 4.696 -17.576 1.00 0.00 H new ATOM 0 HA VAL A 12 5.317 5.257 -17.577 1.00 0.00 H new ATOM 0 HB VAL A 12 6.822 2.658 -18.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.820 1.949 -19.331 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.470 2.205 -17.605 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.974 3.424 -18.804 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.574 3.274 -20.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.801 4.803 -19.977 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.502 4.493 -19.553 1.00 0.00 H new ATOM 196 N ALA A 13 6.234 2.902 -15.421 1.00 0.00 N ATOM 197 CA ALA A 13 5.834 2.208 -14.204 1.00 0.00 C ATOM 198 C ALA A 13 5.315 3.189 -13.158 1.00 0.00 C ATOM 199 O ALA A 13 4.172 3.088 -12.713 1.00 0.00 O ATOM 200 CB ALA A 13 7.001 1.406 -13.646 1.00 0.00 C ATOM 0 H ALA A 13 7.148 2.629 -15.781 1.00 0.00 H new ATOM 0 HA ALA A 13 5.024 1.523 -14.455 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.688 0.893 -12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.324 0.672 -14.384 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.828 2.078 -13.417 1.00 0.00 H new ATOM 206 N GLN A 14 6.163 4.135 -12.769 1.00 0.00 N ATOM 207 CA GLN A 14 5.790 5.133 -11.774 1.00 0.00 C ATOM 208 C GLN A 14 4.534 5.885 -12.202 1.00 0.00 C ATOM 209 O GLN A 14 3.563 5.971 -11.450 1.00 0.00 O ATOM 210 CB GLN A 14 6.938 6.119 -11.553 1.00 0.00 C ATOM 211 CG GLN A 14 6.569 7.293 -10.660 1.00 0.00 C ATOM 212 CD GLN A 14 6.208 6.865 -9.252 1.00 0.00 C ATOM 213 OE1 GLN A 14 7.050 6.872 -8.353 1.00 0.00 O ATOM 214 NE2 GLN A 14 4.950 6.489 -9.051 1.00 0.00 N ATOM 0 H GLN A 14 7.113 4.231 -13.128 1.00 0.00 H new ATOM 0 HA GLN A 14 5.581 4.615 -10.838 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.782 5.588 -11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.271 6.499 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.405 7.991 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.728 7.828 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.285 6.499 -9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.649 6.191 -8.123 1.00 0.00 H new ATOM 223 N ALA A 15 4.560 6.429 -13.414 1.00 0.00 N ATOM 224 CA ALA A 15 3.423 7.173 -13.943 1.00 0.00 C ATOM 225 C ALA A 15 2.133 6.371 -13.809 1.00 0.00 C ATOM 226 O ALA A 15 1.109 6.892 -13.366 1.00 0.00 O ATOM 227 CB ALA A 15 3.667 7.546 -15.398 1.00 0.00 C ATOM 0 H ALA A 15 5.356 6.369 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 15 3.314 8.087 -13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.810 8.101 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.561 8.165 -15.470 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.804 6.640 -15.988 1.00 0.00 H new ATOM 233 N PHE A 16 2.188 5.101 -14.196 1.00 0.00 N ATOM 234 CA PHE A 16 1.023 4.227 -14.121 1.00 0.00 C ATOM 235 C PHE A 16 0.496 4.146 -12.691 1.00 0.00 C ATOM 236 O PHE A 16 -0.635 4.545 -12.411 1.00 0.00 O ATOM 237 CB PHE A 16 1.375 2.827 -14.627 1.00 0.00 C ATOM 238 CG PHE A 16 0.945 2.576 -16.044 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.783 2.888 -17.102 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.297 2.027 -16.318 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.389 2.659 -18.407 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.697 1.795 -17.621 1.00 0.00 C ATOM 243 CZ PHE A 16 0.149 2.111 -18.667 1.00 0.00 C ATOM 0 H PHE A 16 3.027 4.654 -14.565 1.00 0.00 H new ATOM 0 HA PHE A 16 0.242 4.648 -14.754 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.453 2.683 -14.552 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.908 2.087 -13.977 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.755 3.315 -16.905 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.961 1.777 -15.504 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.051 2.909 -19.223 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.669 1.368 -17.821 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.159 1.930 -19.686 1.00 0.00 H new ATOM 253 N VAL A 17 1.323 3.625 -11.791 1.00 0.00 N ATOM 254 CA VAL A 17 0.941 3.490 -10.390 1.00 0.00 C ATOM 255 C VAL A 17 0.554 4.839 -9.794 1.00 0.00 C ATOM 256 O VAL A 17 -0.166 4.906 -8.798 1.00 0.00 O ATOM 257 CB VAL A 17 2.082 2.881 -9.553 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.419 1.482 -10.048 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.309 3.779 -9.592 1.00 0.00 C ATOM 0 H VAL A 17 2.262 3.289 -12.007 1.00 0.00 H new ATOM 0 HA VAL A 17 0.081 2.821 -10.360 1.00 0.00 H new ATOM 0 HB VAL A 17 1.749 2.804 -8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.227 1.068 -9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.539 0.844 -9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.733 1.531 -11.091 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.105 3.333 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.646 3.890 -10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.056 4.758 -9.186 1.00 0.00 H new ATOM 269 N ASP A 18 1.037 5.912 -10.411 1.00 0.00 N ATOM 270 CA ASP A 18 0.740 7.261 -9.943 1.00 0.00 C ATOM 271 C ASP A 18 -0.725 7.612 -10.188 1.00 0.00 C ATOM 272 O ASP A 18 -1.466 7.913 -9.252 1.00 0.00 O ATOM 273 CB ASP A 18 1.644 8.277 -10.642 1.00 0.00 C ATOM 274 CG ASP A 18 1.629 9.632 -9.960 1.00 0.00 C ATOM 275 OD1 ASP A 18 2.229 9.755 -8.872 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.017 10.568 -10.516 1.00 0.00 O ATOM 0 H ASP A 18 1.636 5.874 -11.236 1.00 0.00 H new ATOM 0 HA ASP A 18 0.929 7.296 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.665 7.896 -10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.324 8.391 -11.678 1.00 0.00 H new ATOM 281 N TYR A 19 -1.134 7.571 -11.451 1.00 0.00 N ATOM 282 CA TYR A 19 -2.508 7.888 -11.819 1.00 0.00 C ATOM 283 C TYR A 19 -3.480 6.875 -11.221 1.00 0.00 C ATOM 284 O TYR A 19 -4.664 7.161 -11.050 1.00 0.00 O ATOM 285 CB TYR A 19 -2.657 7.916 -13.341 1.00 0.00 C ATOM 286 CG TYR A 19 -3.141 6.609 -13.927 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.488 6.268 -13.897 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.252 5.714 -14.509 1.00 0.00 C ATOM 289 CE1 TYR A 19 -4.935 5.075 -14.430 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.690 4.519 -15.046 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.032 4.204 -15.004 1.00 0.00 C ATOM 292 OH TYR A 19 -4.472 3.014 -15.537 1.00 0.00 O ATOM 0 H TYR A 19 -0.534 7.321 -12.237 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.746 8.873 -11.419 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.355 8.707 -13.615 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.696 8.170 -13.787 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.198 6.948 -13.449 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.200 5.957 -14.542 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.985 4.825 -14.398 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.986 3.835 -15.496 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.400 2.307 -14.862 1.00 0.00 H new ATOM 302 N MET A 20 -2.968 5.690 -10.905 1.00 0.00 N ATOM 303 CA MET A 20 -3.789 4.634 -10.324 1.00 0.00 C ATOM 304 C MET A 20 -3.980 4.855 -8.827 1.00 0.00 C ATOM 305 O MET A 20 -5.059 4.611 -8.287 1.00 0.00 O ATOM 306 CB MET A 20 -3.150 3.266 -10.572 1.00 0.00 C ATOM 307 CG MET A 20 -2.982 2.932 -12.045 1.00 0.00 C ATOM 308 SD MET A 20 -4.146 1.675 -12.609 1.00 0.00 S ATOM 309 CE MET A 20 -5.683 2.593 -12.565 1.00 0.00 C ATOM 0 H MET A 20 -1.989 5.437 -11.041 1.00 0.00 H new ATOM 0 HA MET A 20 -4.767 4.663 -10.805 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.174 3.237 -10.088 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.763 2.497 -10.101 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.116 3.838 -12.637 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.964 2.584 -12.221 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.345 2.159 -11.815 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.479 3.633 -12.310 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.163 2.547 -13.543 1.00 0.00 H new ATOM 319 N ALA A 21 -2.926 5.318 -8.163 1.00 0.00 N ATOM 320 CA ALA A 21 -2.979 5.574 -6.729 1.00 0.00 C ATOM 321 C ALA A 21 -3.873 6.770 -6.417 1.00 0.00 C ATOM 322 O ALA A 21 -4.655 6.743 -5.466 1.00 0.00 O ATOM 323 CB ALA A 21 -1.578 5.802 -6.181 1.00 0.00 C ATOM 0 H ALA A 21 -2.025 5.523 -8.595 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.408 4.697 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.633 5.992 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.968 4.917 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.128 6.661 -6.679 1.00 0.00 H new ATOM 329 N THR A 22 -3.750 7.820 -7.222 1.00 0.00 N ATOM 330 CA THR A 22 -4.545 9.027 -7.031 1.00 0.00 C ATOM 331 C THR A 22 -6.009 8.781 -7.377 1.00 0.00 C ATOM 332 O THR A 22 -6.874 9.600 -7.067 1.00 0.00 O ATOM 333 CB THR A 22 -4.014 10.191 -7.889 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.725 11.394 -7.576 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.160 9.880 -9.371 1.00 0.00 C ATOM 0 H THR A 22 -3.107 7.859 -8.013 1.00 0.00 H new ATOM 0 HA THR A 22 -4.464 9.296 -5.978 1.00 0.00 H new ATOM 0 HB THR A 22 -2.956 10.326 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.593 11.168 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.779 10.716 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.594 8.980 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.212 9.721 -9.607 1.00 0.00 H new ATOM 343 N GLN A 23 -6.279 7.650 -8.020 1.00 0.00 N ATOM 344 CA GLN A 23 -7.639 7.298 -8.408 1.00 0.00 C ATOM 345 C GLN A 23 -8.289 6.400 -7.360 1.00 0.00 C ATOM 346 O GLN A 23 -9.465 6.056 -7.466 1.00 0.00 O ATOM 347 CB GLN A 23 -7.640 6.598 -9.768 1.00 0.00 C ATOM 348 CG GLN A 23 -7.665 7.558 -10.946 1.00 0.00 C ATOM 349 CD GLN A 23 -9.034 8.169 -11.172 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.832 7.659 -11.958 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.312 9.270 -10.482 1.00 0.00 N ATOM 0 H GLN A 23 -5.574 6.962 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.218 8.218 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.755 5.967 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.507 5.940 -9.828 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.940 8.354 -10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.354 7.030 -11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.620 9.658 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.217 9.727 -10.593 1.00 0.00 H new ATOM 360 N GLY A 24 -7.513 6.023 -6.348 1.00 0.00 N ATOM 361 CA GLY A 24 -8.030 5.168 -5.295 1.00 0.00 C ATOM 362 C GLY A 24 -7.584 3.727 -5.448 1.00 0.00 C ATOM 363 O GLY A 24 -8.136 2.828 -4.813 1.00 0.00 O ATOM 0 H GLY A 24 -6.536 6.294 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.699 5.547 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.119 5.211 -5.298 1.00 0.00 H new ATOM 367 N VAL A 25 -6.583 3.506 -6.293 1.00 0.00 N ATOM 368 CA VAL A 25 -6.063 2.164 -6.528 1.00 0.00 C ATOM 369 C VAL A 25 -4.555 2.113 -6.311 1.00 0.00 C ATOM 370 O VAL A 25 -3.787 2.689 -7.082 1.00 0.00 O ATOM 371 CB VAL A 25 -6.382 1.680 -7.955 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.041 0.205 -8.108 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.844 1.935 -8.289 1.00 0.00 C ATOM 0 H VAL A 25 -6.115 4.239 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.553 1.505 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.768 2.244 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.273 -0.119 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.979 0.055 -7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.626 -0.379 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.052 1.587 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.478 1.398 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.051 3.003 -8.223 1.00 0.00 H new ATOM 383 N ILE A 26 -4.137 1.420 -5.257 1.00 0.00 N ATOM 384 CA ILE A 26 -2.720 1.292 -4.940 1.00 0.00 C ATOM 385 C ILE A 26 -2.064 0.205 -5.784 1.00 0.00 C ATOM 386 O ILE A 26 -2.594 -0.899 -5.916 1.00 0.00 O ATOM 387 CB ILE A 26 -2.504 0.970 -3.449 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.098 2.076 -2.575 1.00 0.00 C ATOM 389 CG2 ILE A 26 -1.022 0.793 -3.155 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.473 3.433 -2.810 1.00 0.00 C ATOM 0 H ILE A 26 -4.760 0.939 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.258 2.253 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.015 0.036 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.170 2.141 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.975 1.805 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.885 0.566 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.627 -0.026 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.490 1.712 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.943 4.168 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.406 3.385 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.619 3.726 -3.850 1.00 0.00 H new ATOM 402 N LEU A 27 -0.906 0.524 -6.352 1.00 0.00 N ATOM 403 CA LEU A 27 -0.174 -0.426 -7.183 1.00 0.00 C ATOM 404 C LEU A 27 1.275 -0.548 -6.723 1.00 0.00 C ATOM 405 O LEU A 27 1.784 0.312 -6.003 1.00 0.00 O ATOM 406 CB LEU A 27 -0.221 0.006 -8.649 1.00 0.00 C ATOM 407 CG LEU A 27 -1.535 -0.259 -9.385 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.442 0.210 -10.829 1.00 0.00 C ATOM 409 CD2 LEU A 27 -1.892 -1.737 -9.324 1.00 0.00 C ATOM 0 H LEU A 27 -0.454 1.433 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.651 -1.401 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.009 1.074 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.581 -0.504 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.326 0.306 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.386 0.013 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.234 1.280 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.639 -0.326 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.830 -1.907 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.100 -2.322 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.002 -2.042 -8.283 1.00 0.00 H new ATOM 421 N THR A 28 1.937 -1.621 -7.145 1.00 0.00 N ATOM 422 CA THR A 28 3.327 -1.855 -6.778 1.00 0.00 C ATOM 423 C THR A 28 4.189 -2.093 -8.012 1.00 0.00 C ATOM 424 O THR A 28 3.731 -2.670 -8.999 1.00 0.00 O ATOM 425 CB THR A 28 3.463 -3.062 -5.831 1.00 0.00 C ATOM 426 OG1 THR A 28 2.169 -3.482 -5.383 1.00 0.00 O ATOM 427 CG2 THR A 28 4.332 -2.714 -4.631 1.00 0.00 C ATOM 0 H THR A 28 1.532 -2.342 -7.742 1.00 0.00 H new ATOM 0 HA THR A 28 3.673 -0.958 -6.264 1.00 0.00 H new ATOM 0 HB THR A 28 3.938 -3.874 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.669 -3.861 -6.136 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.413 -3.582 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.325 -2.423 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.881 -1.887 -4.083 1.00 0.00 H new ATOM 435 N ILE A 29 5.439 -1.647 -7.950 1.00 0.00 N ATOM 436 CA ILE A 29 6.365 -1.814 -9.064 1.00 0.00 C ATOM 437 C ILE A 29 7.629 -2.545 -8.622 1.00 0.00 C ATOM 438 O ILE A 29 8.123 -2.337 -7.514 1.00 0.00 O ATOM 439 CB ILE A 29 6.758 -0.458 -9.678 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.527 0.236 -10.265 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.825 -0.648 -10.745 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.878 -0.538 -11.391 1.00 0.00 C ATOM 0 H ILE A 29 5.834 -1.168 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 29 5.848 -2.408 -9.818 1.00 0.00 H new ATOM 0 HB ILE A 29 7.169 0.175 -8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.795 0.392 -9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.815 1.221 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.092 0.320 -11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.708 -1.105 -10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.440 -1.296 -11.533 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.012 0.012 -11.759 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.595 -0.671 -12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.559 -1.514 -11.025 1.00 0.00 H new ATOM 454 N GLN A 30 8.149 -3.399 -9.498 1.00 0.00 N ATOM 455 CA GLN A 30 9.356 -4.159 -9.199 1.00 0.00 C ATOM 456 C GLN A 30 10.443 -3.884 -10.233 1.00 0.00 C ATOM 457 O GLN A 30 10.392 -4.395 -11.351 1.00 0.00 O ATOM 458 CB GLN A 30 9.044 -5.656 -9.155 1.00 0.00 C ATOM 459 CG GLN A 30 8.867 -6.200 -7.747 1.00 0.00 C ATOM 460 CD GLN A 30 9.891 -7.262 -7.398 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.889 -8.354 -7.967 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.775 -6.946 -6.458 1.00 0.00 N ATOM 0 H GLN A 30 7.753 -3.582 -10.420 1.00 0.00 H new ATOM 0 HA GLN A 30 9.721 -3.843 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.135 -5.846 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.849 -6.201 -9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.942 -5.380 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.866 -6.619 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.740 -6.029 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.489 -7.620 -6.182 1.00 0.00 H new ATOM 471 N GLN A 31 11.425 -3.074 -9.850 1.00 0.00 N ATOM 472 CA GLN A 31 12.523 -2.730 -10.746 1.00 0.00 C ATOM 473 C GLN A 31 13.637 -3.769 -10.665 1.00 0.00 C ATOM 474 O GLN A 31 14.439 -3.763 -9.731 1.00 0.00 O ATOM 475 CB GLN A 31 13.076 -1.345 -10.402 1.00 0.00 C ATOM 476 CG GLN A 31 13.257 -0.445 -11.613 1.00 0.00 C ATOM 477 CD GLN A 31 14.542 0.357 -11.556 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.685 1.265 -10.737 1.00 0.00 O ATOM 479 NE2 GLN A 31 15.486 0.026 -12.430 1.00 0.00 N ATOM 0 H GLN A 31 11.483 -2.644 -8.927 1.00 0.00 H new ATOM 0 HA GLN A 31 12.136 -2.716 -11.765 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.403 -0.859 -9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.036 -1.461 -9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.253 -1.054 -12.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.410 0.237 -11.684 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.325 -0.734 -13.091 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.372 0.532 -12.440 1.00 0.00 H new ATOM 488 N HIS A 32 13.680 -4.661 -11.650 1.00 0.00 N ATOM 489 CA HIS A 32 14.696 -5.707 -11.690 1.00 0.00 C ATOM 490 C HIS A 32 16.097 -5.105 -11.647 1.00 0.00 C ATOM 491 O HIS A 32 16.328 -4.010 -12.157 1.00 0.00 O ATOM 492 CB HIS A 32 14.532 -6.558 -12.950 1.00 0.00 C ATOM 493 CG HIS A 32 13.212 -7.261 -13.030 1.00 0.00 C ATOM 494 ND1 HIS A 32 12.939 -8.245 -13.957 1.00 0.00 N ATOM 495 CD2 HIS A 32 12.087 -7.119 -12.291 1.00 0.00 C ATOM 496 CE1 HIS A 32 11.702 -8.676 -13.786 1.00 0.00 C ATOM 497 NE2 HIS A 32 11.163 -8.010 -12.781 1.00 0.00 N ATOM 0 H HIS A 32 13.024 -4.680 -12.430 1.00 0.00 H new ATOM 0 HA HIS A 32 14.565 -6.341 -10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.649 -5.921 -13.827 1.00 0.00 H new ATOM 0 HB3 HIS A 32 15.331 -7.298 -12.985 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.943 -6.433 -11.469 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.214 -9.443 -14.369 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.215 -8.136 -12.426 1.00 0.00 H new ATOM 505 N ASN A 33 17.028 -5.829 -11.033 1.00 0.00 N ATOM 506 CA ASN A 33 18.406 -5.365 -10.922 1.00 0.00 C ATOM 507 C ASN A 33 19.377 -6.542 -10.922 1.00 0.00 C ATOM 508 O ASN A 33 19.451 -7.297 -9.953 1.00 0.00 O ATOM 509 CB ASN A 33 18.587 -4.540 -9.647 1.00 0.00 C ATOM 510 CG ASN A 33 17.297 -3.885 -9.194 1.00 0.00 C ATOM 511 OD1 ASN A 33 16.568 -4.431 -8.366 1.00 0.00 O ATOM 512 ND2 ASN A 33 17.008 -2.708 -9.737 1.00 0.00 N ATOM 0 H ASN A 33 16.853 -6.738 -10.605 1.00 0.00 H new ATOM 0 HA ASN A 33 18.623 -4.737 -11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 33 18.963 -5.183 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.341 -3.771 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 33 16.153 -2.220 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.641 -2.292 -10.420 1.00 0.00 H new ATOM 519 N GLN A 34 20.120 -6.690 -12.014 1.00 0.00 N ATOM 520 CA GLN A 34 21.086 -7.775 -12.139 1.00 0.00 C ATOM 521 C GLN A 34 22.240 -7.373 -13.051 1.00 0.00 C ATOM 522 O GLN A 34 22.028 -6.943 -14.185 1.00 0.00 O ATOM 523 CB GLN A 34 20.405 -9.033 -12.682 1.00 0.00 C ATOM 524 CG GLN A 34 19.899 -9.968 -11.596 1.00 0.00 C ATOM 525 CD GLN A 34 19.981 -11.427 -11.997 1.00 0.00 C ATOM 526 OE1 GLN A 34 20.489 -11.761 -13.068 1.00 0.00 O ATOM 527 NE2 GLN A 34 19.480 -12.307 -11.138 1.00 0.00 N ATOM 0 H GLN A 34 20.072 -6.073 -12.824 1.00 0.00 H new ATOM 0 HA GLN A 34 21.487 -7.987 -11.148 1.00 0.00 H new ATOM 0 HB2 GLN A 34 19.568 -8.738 -13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 34 21.109 -9.573 -13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 34 20.481 -9.812 -10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 34 18.865 -9.718 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 34 19.068 -11.987 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 34 19.507 -13.303 -11.355 1.00 0.00 H new ATOM 536 N SER A 35 23.463 -7.516 -12.549 1.00 0.00 N ATOM 537 CA SER A 35 24.651 -7.164 -13.317 1.00 0.00 C ATOM 538 C SER A 35 25.424 -8.415 -13.724 1.00 0.00 C ATOM 539 O SER A 35 26.133 -9.011 -12.914 1.00 0.00 O ATOM 540 CB SER A 35 25.554 -6.235 -12.503 1.00 0.00 C ATOM 541 OG SER A 35 24.816 -5.153 -11.961 1.00 0.00 O ATOM 0 H SER A 35 23.656 -7.873 -11.613 1.00 0.00 H new ATOM 0 HA SER A 35 24.330 -6.646 -14.221 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.027 -6.797 -11.697 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.354 -5.852 -13.137 1.00 0.00 H new ATOM 0 HG SER A 35 25.415 -4.575 -11.444 1.00 0.00 H new ATOM 547 N ASP A 36 25.283 -8.805 -14.986 1.00 0.00 N ATOM 548 CA ASP A 36 25.969 -9.983 -15.504 1.00 0.00 C ATOM 549 C ASP A 36 27.346 -9.616 -16.047 1.00 0.00 C ATOM 550 O ASP A 36 27.476 -8.726 -16.887 1.00 0.00 O ATOM 551 CB ASP A 36 25.134 -10.644 -16.601 1.00 0.00 C ATOM 552 CG ASP A 36 25.984 -11.424 -17.585 1.00 0.00 C ATOM 553 OD1 ASP A 36 26.908 -12.134 -17.137 1.00 0.00 O ATOM 554 OD2 ASP A 36 25.726 -11.323 -18.803 1.00 0.00 O ATOM 0 H ASP A 36 24.700 -8.322 -15.669 1.00 0.00 H new ATOM 0 HA ASP A 36 26.099 -10.688 -14.683 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.405 -11.314 -16.145 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.573 -9.879 -17.137 1.00 0.00 H new ATOM 559 N VAL A 37 28.372 -10.307 -15.560 1.00 0.00 N ATOM 560 CA VAL A 37 29.740 -10.053 -15.997 1.00 0.00 C ATOM 561 C VAL A 37 30.181 -11.072 -17.042 1.00 0.00 C ATOM 562 O VAL A 37 30.229 -12.272 -16.772 1.00 0.00 O ATOM 563 CB VAL A 37 30.723 -10.091 -14.812 1.00 0.00 C ATOM 564 CG1 VAL A 37 32.052 -9.460 -15.200 1.00 0.00 C ATOM 565 CG2 VAL A 37 30.125 -9.392 -13.601 1.00 0.00 C ATOM 0 H VAL A 37 28.282 -11.046 -14.863 1.00 0.00 H new ATOM 0 HA VAL A 37 29.752 -9.056 -16.438 1.00 0.00 H new ATOM 0 HB VAL A 37 30.906 -11.133 -14.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.734 -9.496 -14.350 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.485 -10.009 -16.036 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.891 -8.422 -15.492 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.833 -9.429 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.911 -8.353 -13.850 1.00 0.00 H new ATOM 0 HG23 VAL A 37 29.202 -9.893 -13.311 1.00 0.00 H new ATOM 575 N TRP A 38 30.503 -10.586 -18.235 1.00 0.00 N ATOM 576 CA TRP A 38 30.941 -11.454 -19.322 1.00 0.00 C ATOM 577 C TRP A 38 32.270 -10.978 -19.897 1.00 0.00 C ATOM 578 O TRP A 38 32.522 -9.776 -19.991 1.00 0.00 O ATOM 579 CB TRP A 38 29.881 -11.501 -20.424 1.00 0.00 C ATOM 580 CG TRP A 38 28.993 -10.294 -20.445 1.00 0.00 C ATOM 581 CD1 TRP A 38 28.164 -9.868 -19.447 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.844 -9.359 -21.519 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.509 -8.724 -19.836 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.910 -8.391 -21.102 1.00 0.00 C ATOM 585 CE3 TRP A 38 29.411 -9.243 -22.791 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.530 -7.325 -21.914 1.00 0.00 C ATOM 587 CZ3 TRP A 38 29.033 -8.185 -23.596 1.00 0.00 C ATOM 588 CH2 TRP A 38 28.101 -7.237 -23.154 1.00 0.00 C ATOM 0 H TRP A 38 30.469 -9.595 -18.474 1.00 0.00 H new ATOM 0 HA TRP A 38 31.080 -12.457 -18.919 1.00 0.00 H new ATOM 0 HB2 TRP A 38 30.376 -11.596 -21.391 1.00 0.00 H new ATOM 0 HB3 TRP A 38 29.268 -12.392 -20.291 1.00 0.00 H new ATOM 0 HD1 TRP A 38 28.041 -10.358 -18.492 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.834 -8.207 -19.273 1.00 0.00 H new ATOM 0 HE3 TRP A 38 30.132 -9.968 -23.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.810 -6.594 -21.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 29.463 -8.087 -24.582 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.828 -6.420 -23.805 1.00 0.00 H new ATOM 599 N LEU A 39 33.117 -11.927 -20.281 1.00 0.00 N ATOM 600 CA LEU A 39 34.421 -11.603 -20.849 1.00 0.00 C ATOM 601 C LEU A 39 34.521 -12.083 -22.293 1.00 0.00 C ATOM 602 O LEU A 39 33.866 -13.050 -22.683 1.00 0.00 O ATOM 603 CB LEU A 39 35.535 -12.235 -20.011 1.00 0.00 C ATOM 604 CG LEU A 39 36.932 -12.222 -20.632 1.00 0.00 C ATOM 605 CD1 LEU A 39 37.471 -10.802 -20.704 1.00 0.00 C ATOM 606 CD2 LEU A 39 37.876 -13.114 -19.840 1.00 0.00 C ATOM 0 H LEU A 39 32.924 -12.926 -20.209 1.00 0.00 H new ATOM 0 HA LEU A 39 34.536 -10.519 -20.838 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.580 -11.717 -19.053 1.00 0.00 H new ATOM 0 HB3 LEU A 39 35.262 -13.269 -19.801 1.00 0.00 H new ATOM 0 HG LEU A 39 36.861 -12.613 -21.647 1.00 0.00 H new ATOM 0 HD11 LEU A 39 38.466 -10.813 -21.149 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.807 -10.191 -21.316 1.00 0.00 H new ATOM 0 HD13 LEU A 39 37.527 -10.383 -19.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 38.866 -13.093 -20.296 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.942 -12.753 -18.814 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.498 -14.136 -19.842 1.00 0.00 H new ATOM 618 N ALA A 40 35.346 -11.403 -23.082 1.00 0.00 N ATOM 619 CA ALA A 40 35.535 -11.763 -24.482 1.00 0.00 C ATOM 620 C ALA A 40 36.842 -12.523 -24.681 1.00 0.00 C ATOM 621 O ALA A 40 36.964 -13.336 -25.598 1.00 0.00 O ATOM 622 CB ALA A 40 35.508 -10.517 -25.355 1.00 0.00 C ATOM 0 H ALA A 40 35.894 -10.599 -22.776 1.00 0.00 H new ATOM 0 HA ALA A 40 34.716 -12.418 -24.778 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.650 -10.800 -26.398 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.547 -10.015 -25.243 1.00 0.00 H new ATOM 0 HB3 ALA A 40 36.307 -9.842 -25.050 1.00 0.00 H new ATOM 628 N ASP A 41 37.816 -12.253 -23.820 1.00 0.00 N ATOM 629 CA ASP A 41 39.114 -12.912 -23.901 1.00 0.00 C ATOM 630 C ASP A 41 39.110 -14.220 -23.117 1.00 0.00 C ATOM 631 O ASP A 41 39.460 -14.249 -21.938 1.00 0.00 O ATOM 632 CB ASP A 41 40.213 -11.989 -23.371 1.00 0.00 C ATOM 633 CG ASP A 41 41.601 -12.457 -23.764 1.00 0.00 C ATOM 634 OD1 ASP A 41 41.705 -13.495 -24.448 1.00 0.00 O ATOM 635 OD2 ASP A 41 42.583 -11.784 -23.385 1.00 0.00 O ATOM 0 H ASP A 41 37.731 -11.582 -23.057 1.00 0.00 H new ATOM 0 HA ASP A 41 39.314 -13.138 -24.948 1.00 0.00 H new ATOM 0 HB2 ASP A 41 40.051 -10.980 -23.752 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.145 -11.934 -22.284 1.00 0.00 H new ATOM 640 N GLU A 42 38.709 -15.301 -23.781 1.00 0.00 N ATOM 641 CA GLU A 42 38.657 -16.612 -23.145 1.00 0.00 C ATOM 642 C GLU A 42 39.960 -16.911 -22.408 1.00 0.00 C ATOM 643 O GLU A 42 39.948 -17.386 -21.273 1.00 0.00 O ATOM 644 CB GLU A 42 38.386 -17.699 -24.187 1.00 0.00 C ATOM 645 CG GLU A 42 37.083 -17.506 -24.943 1.00 0.00 C ATOM 646 CD GLU A 42 36.918 -18.492 -26.083 1.00 0.00 C ATOM 647 OE1 GLU A 42 36.948 -19.713 -25.821 1.00 0.00 O ATOM 648 OE2 GLU A 42 36.759 -18.042 -27.237 1.00 0.00 O ATOM 0 H GLU A 42 38.416 -15.294 -24.758 1.00 0.00 H new ATOM 0 HA GLU A 42 37.843 -16.604 -22.420 1.00 0.00 H new ATOM 0 HB2 GLU A 42 39.210 -17.720 -24.900 1.00 0.00 H new ATOM 0 HB3 GLU A 42 38.368 -18.669 -23.691 1.00 0.00 H new ATOM 0 HG2 GLU A 42 36.247 -17.613 -24.252 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.043 -16.491 -25.337 1.00 0.00 H new ATOM 655 N SER A 43 41.081 -16.630 -23.064 1.00 0.00 N ATOM 656 CA SER A 43 42.393 -16.873 -22.474 1.00 0.00 C ATOM 657 C SER A 43 42.511 -16.192 -21.113 1.00 0.00 C ATOM 658 O SER A 43 43.159 -16.710 -20.204 1.00 0.00 O ATOM 659 CB SER A 43 43.496 -16.368 -23.406 1.00 0.00 C ATOM 660 OG SER A 43 43.122 -16.515 -24.765 1.00 0.00 O ATOM 0 H SER A 43 41.108 -16.234 -24.004 1.00 0.00 H new ATOM 0 HA SER A 43 42.508 -17.948 -22.335 1.00 0.00 H new ATOM 0 HB2 SER A 43 43.704 -15.319 -23.194 1.00 0.00 H new ATOM 0 HB3 SER A 43 44.417 -16.920 -23.217 1.00 0.00 H new ATOM 0 HG SER A 43 43.843 -16.184 -25.340 1.00 0.00 H new ATOM 666 N GLN A 44 41.880 -15.030 -20.983 1.00 0.00 N ATOM 667 CA GLN A 44 41.914 -14.278 -19.734 1.00 0.00 C ATOM 668 C GLN A 44 40.799 -14.729 -18.796 1.00 0.00 C ATOM 669 O GLN A 44 40.803 -14.402 -17.610 1.00 0.00 O ATOM 670 CB GLN A 44 41.787 -12.780 -20.013 1.00 0.00 C ATOM 671 CG GLN A 44 43.031 -11.985 -19.647 1.00 0.00 C ATOM 672 CD GLN A 44 44.280 -12.512 -20.326 1.00 0.00 C ATOM 673 OE1 GLN A 44 45.022 -13.360 -19.624 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 44.575 -12.160 -21.468 1.00 0.00 N flip ATOM 0 H GLN A 44 41.339 -14.589 -21.727 1.00 0.00 H new ATOM 0 HA GLN A 44 42.871 -14.470 -19.249 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.570 -12.633 -21.071 1.00 0.00 H new ATOM 0 HB3 GLN A 44 40.937 -12.386 -19.456 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.885 -10.941 -19.923 1.00 0.00 H new ATOM 0 HG3 GLN A 44 43.170 -12.012 -18.566 1.00 0.00 H new ATOM 0 HE21 GLN A 44 43.975 -11.506 -21.971 1.00 0.00 H new ATOM 0 HE22 GLN A 44 45.419 -12.522 -21.911 1.00 0.00 H new ATOM 683 N ALA A 45 39.847 -15.482 -19.336 1.00 0.00 N ATOM 684 CA ALA A 45 38.727 -15.980 -18.547 1.00 0.00 C ATOM 685 C ALA A 45 39.215 -16.762 -17.333 1.00 0.00 C ATOM 686 O ALA A 45 38.508 -16.876 -16.332 1.00 0.00 O ATOM 687 CB ALA A 45 37.820 -16.848 -19.407 1.00 0.00 C ATOM 0 H ALA A 45 39.829 -15.761 -20.317 1.00 0.00 H new ATOM 0 HA ALA A 45 38.158 -15.122 -18.189 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.988 -17.213 -18.805 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.435 -16.259 -20.239 1.00 0.00 H new ATOM 0 HB3 ALA A 45 38.387 -17.695 -19.794 1.00 0.00 H new ATOM 693 N GLU A 46 40.427 -17.299 -17.429 1.00 0.00 N ATOM 694 CA GLU A 46 41.008 -18.072 -16.337 1.00 0.00 C ATOM 695 C GLU A 46 41.556 -17.151 -15.250 1.00 0.00 C ATOM 696 O GLU A 46 41.144 -17.228 -14.092 1.00 0.00 O ATOM 697 CB GLU A 46 42.123 -18.979 -16.862 1.00 0.00 C ATOM 698 CG GLU A 46 41.641 -20.025 -17.853 1.00 0.00 C ATOM 699 CD GLU A 46 42.707 -21.053 -18.181 1.00 0.00 C ATOM 700 OE1 GLU A 46 43.893 -20.791 -17.889 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.356 -22.118 -18.729 1.00 0.00 O ATOM 0 H GLU A 46 41.025 -17.213 -18.251 1.00 0.00 H new ATOM 0 HA GLU A 46 40.221 -18.689 -15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 42.886 -18.364 -17.339 1.00 0.00 H new ATOM 0 HB3 GLU A 46 42.599 -19.481 -16.019 1.00 0.00 H new ATOM 0 HG2 GLU A 46 40.767 -20.532 -17.444 1.00 0.00 H new ATOM 0 HG3 GLU A 46 41.323 -19.531 -18.771 1.00 0.00 H new ATOM 708 N ARG A 47 42.486 -16.283 -15.632 1.00 0.00 N ATOM 709 CA ARG A 47 43.092 -15.349 -14.690 1.00 0.00 C ATOM 710 C ARG A 47 42.023 -14.526 -13.978 1.00 0.00 C ATOM 711 O ARG A 47 42.158 -14.201 -12.798 1.00 0.00 O ATOM 712 CB ARG A 47 44.067 -14.420 -15.416 1.00 0.00 C ATOM 713 CG ARG A 47 43.390 -13.253 -16.116 1.00 0.00 C ATOM 714 CD ARG A 47 43.373 -12.011 -15.238 1.00 0.00 C ATOM 715 NE ARG A 47 44.718 -11.598 -14.849 1.00 0.00 N ATOM 716 CZ ARG A 47 45.602 -11.080 -15.695 1.00 0.00 C ATOM 717 NH1 ARG A 47 45.283 -10.913 -16.971 1.00 0.00 N ATOM 718 NH2 ARG A 47 46.806 -10.728 -15.265 1.00 0.00 N ATOM 0 H ARG A 47 42.837 -16.207 -16.587 1.00 0.00 H new ATOM 0 HA ARG A 47 43.638 -15.927 -13.944 1.00 0.00 H new ATOM 0 HB2 ARG A 47 44.789 -14.032 -14.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 44.627 -14.998 -16.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.911 -13.034 -17.048 1.00 0.00 H new ATOM 0 HG3 ARG A 47 42.369 -13.528 -16.379 1.00 0.00 H new ATOM 0 HD2 ARG A 47 42.884 -11.196 -15.772 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.781 -12.207 -14.344 1.00 0.00 H new ATOM 0 HE ARG A 47 44.994 -11.713 -13.874 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.358 -11.182 -17.305 1.00 0.00 H new ATOM 0 HH12 ARG A 47 45.963 -10.515 -17.619 1.00 0.00 H new ATOM 0 HH21 ARG A 47 47.054 -10.855 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 47 47.484 -10.330 -15.915 1.00 0.00 H new ATOM 732 N VAL A 48 40.960 -14.190 -14.703 1.00 0.00 N ATOM 733 CA VAL A 48 39.868 -13.405 -14.140 1.00 0.00 C ATOM 734 C VAL A 48 39.026 -14.242 -13.183 1.00 0.00 C ATOM 735 O VAL A 48 38.615 -13.767 -12.125 1.00 0.00 O ATOM 736 CB VAL A 48 38.957 -12.838 -15.246 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.751 -11.942 -16.184 1.00 0.00 C ATOM 738 CG2 VAL A 48 38.286 -13.967 -16.014 1.00 0.00 C ATOM 0 H VAL A 48 40.832 -14.449 -15.681 1.00 0.00 H new ATOM 0 HA VAL A 48 40.321 -12.578 -13.593 1.00 0.00 H new ATOM 0 HB VAL A 48 38.179 -12.235 -14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 48 39.091 -11.551 -16.959 1.00 0.00 H new ATOM 0 HG12 VAL A 48 40.180 -11.114 -15.620 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.552 -12.519 -16.647 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.646 -13.549 -16.791 1.00 0.00 H new ATOM 0 HG22 VAL A 48 39.047 -14.598 -16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.683 -14.564 -15.330 1.00 0.00 H new ATOM 748 N ARG A 49 38.773 -15.490 -13.563 1.00 0.00 N ATOM 749 CA ARG A 49 37.979 -16.393 -12.739 1.00 0.00 C ATOM 750 C ARG A 49 38.606 -16.561 -11.357 1.00 0.00 C ATOM 751 O ARG A 49 37.908 -16.558 -10.344 1.00 0.00 O ATOM 752 CB ARG A 49 37.847 -17.757 -13.420 1.00 0.00 C ATOM 753 CG ARG A 49 36.515 -17.960 -14.123 1.00 0.00 C ATOM 754 CD ARG A 49 36.644 -18.922 -15.294 1.00 0.00 C ATOM 755 NE ARG A 49 35.846 -20.129 -15.101 1.00 0.00 N ATOM 756 CZ ARG A 49 35.439 -20.907 -16.098 1.00 0.00 C ATOM 757 NH1 ARG A 49 35.755 -20.607 -17.350 1.00 0.00 N ATOM 758 NH2 ARG A 49 34.715 -21.990 -15.843 1.00 0.00 N ATOM 0 H ARG A 49 39.106 -15.899 -14.436 1.00 0.00 H new ATOM 0 HA ARG A 49 36.987 -15.957 -12.619 1.00 0.00 H new ATOM 0 HB2 ARG A 49 38.652 -17.871 -14.146 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.977 -18.541 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.783 -18.345 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 49 36.140 -17.000 -14.479 1.00 0.00 H new ATOM 0 HD2 ARG A 49 36.329 -18.422 -16.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 37.691 -19.196 -15.424 1.00 0.00 H new ATOM 0 HE ARG A 49 35.587 -20.389 -14.149 1.00 0.00 H new ATOM 0 HH11 ARG A 49 36.312 -19.777 -17.550 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.441 -21.207 -18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 49 34.471 -22.225 -14.881 1.00 0.00 H new ATOM 0 HH22 ARG A 49 34.403 -22.587 -16.609 1.00 0.00 H new ATOM 772 N ALA A 50 39.926 -16.708 -11.326 1.00 0.00 N ATOM 773 CA ALA A 50 40.647 -16.876 -10.071 1.00 0.00 C ATOM 774 C ALA A 50 40.641 -15.586 -9.258 1.00 0.00 C ATOM 775 O ALA A 50 40.195 -15.567 -8.111 1.00 0.00 O ATOM 776 CB ALA A 50 42.076 -17.326 -10.338 1.00 0.00 C ATOM 0 H ALA A 50 40.518 -16.714 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 50 40.138 -17.645 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.602 -17.447 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.064 -18.277 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.586 -16.577 -10.943 1.00 0.00 H new ATOM 782 N GLU A 51 41.139 -14.510 -9.859 1.00 0.00 N ATOM 783 CA GLU A 51 41.191 -13.216 -9.188 1.00 0.00 C ATOM 784 C GLU A 51 39.809 -12.805 -8.690 1.00 0.00 C ATOM 785 O GLU A 51 39.658 -12.329 -7.564 1.00 0.00 O ATOM 786 CB GLU A 51 41.742 -12.148 -10.135 1.00 0.00 C ATOM 787 CG GLU A 51 43.214 -12.329 -10.467 1.00 0.00 C ATOM 788 CD GLU A 51 44.025 -12.812 -9.279 1.00 0.00 C ATOM 789 OE1 GLU A 51 44.194 -12.032 -8.319 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.490 -13.971 -9.311 1.00 0.00 O ATOM 0 H GLU A 51 41.512 -14.508 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 51 41.855 -13.308 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.165 -12.162 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.598 -11.166 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.313 -13.043 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.622 -11.382 -10.820 1.00 0.00 H new ATOM 797 N LEU A 52 38.802 -12.992 -9.537 1.00 0.00 N ATOM 798 CA LEU A 52 37.431 -12.641 -9.184 1.00 0.00 C ATOM 799 C LEU A 52 36.963 -13.430 -7.965 1.00 0.00 C ATOM 800 O LEU A 52 36.467 -12.857 -6.995 1.00 0.00 O ATOM 801 CB LEU A 52 36.496 -12.904 -10.366 1.00 0.00 C ATOM 802 CG LEU A 52 35.017 -12.590 -10.135 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.556 -11.479 -11.065 1.00 0.00 C ATOM 804 CD2 LEU A 52 34.170 -13.839 -10.331 1.00 0.00 C ATOM 0 H LEU A 52 38.909 -13.384 -10.472 1.00 0.00 H new ATOM 0 HA LEU A 52 37.406 -11.579 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.843 -12.316 -11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.584 -13.953 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 52 34.893 -12.249 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 33.501 -11.269 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 52 35.142 -10.580 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.694 -11.791 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 52 33.121 -13.597 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.298 -14.210 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.484 -14.606 -9.623 1.00 0.00 H new ATOM 816 N ALA A 53 37.125 -14.748 -8.022 1.00 0.00 N ATOM 817 CA ALA A 53 36.723 -15.615 -6.921 1.00 0.00 C ATOM 818 C ALA A 53 37.411 -15.208 -5.622 1.00 0.00 C ATOM 819 O ALA A 53 36.840 -15.340 -4.539 1.00 0.00 O ATOM 820 CB ALA A 53 37.035 -17.067 -7.252 1.00 0.00 C ATOM 0 H ALA A 53 37.532 -15.238 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 53 35.647 -15.508 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.730 -17.703 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.493 -17.360 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 38.106 -17.180 -7.421 1.00 0.00 H new ATOM 826 N ARG A 54 38.639 -14.712 -5.738 1.00 0.00 N ATOM 827 CA ARG A 54 39.404 -14.288 -4.572 1.00 0.00 C ATOM 828 C ARG A 54 38.940 -12.917 -4.087 1.00 0.00 C ATOM 829 O ARG A 54 39.071 -12.588 -2.908 1.00 0.00 O ATOM 830 CB ARG A 54 40.897 -14.245 -4.904 1.00 0.00 C ATOM 831 CG ARG A 54 41.503 -15.615 -5.160 1.00 0.00 C ATOM 832 CD ARG A 54 42.878 -15.505 -5.800 1.00 0.00 C ATOM 833 NE ARG A 54 43.687 -16.698 -5.568 1.00 0.00 N ATOM 834 CZ ARG A 54 44.184 -17.030 -4.382 1.00 0.00 C ATOM 835 NH1 ARG A 54 43.955 -16.263 -3.325 1.00 0.00 N ATOM 836 NH2 ARG A 54 44.911 -18.133 -4.250 1.00 0.00 N ATOM 0 H ARG A 54 39.125 -14.594 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 54 39.236 -15.012 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 54 41.047 -13.620 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.430 -13.769 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 54 41.581 -16.161 -4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.843 -16.190 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 54 42.767 -15.345 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.395 -14.633 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 54 43.881 -17.310 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 43.396 -15.415 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 54 44.338 -16.521 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 45.089 -18.727 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 54 45.292 -18.387 -3.338 1.00 0.00 H new ATOM 850 N PHE A 55 38.400 -12.122 -5.005 1.00 0.00 N ATOM 851 CA PHE A 55 37.918 -10.787 -4.671 1.00 0.00 C ATOM 852 C PHE A 55 36.521 -10.849 -4.061 1.00 0.00 C ATOM 853 O PHE A 55 36.204 -10.108 -3.129 1.00 0.00 O ATOM 854 CB PHE A 55 37.903 -9.901 -5.919 1.00 0.00 C ATOM 855 CG PHE A 55 37.912 -8.431 -5.610 1.00 0.00 C ATOM 856 CD1 PHE A 55 38.913 -7.881 -4.825 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.921 -7.599 -6.106 1.00 0.00 C ATOM 858 CE1 PHE A 55 38.924 -6.529 -4.539 1.00 0.00 C ATOM 859 CE2 PHE A 55 36.927 -6.246 -5.823 1.00 0.00 C ATOM 860 CZ PHE A 55 37.931 -5.710 -5.040 1.00 0.00 C ATOM 0 H PHE A 55 38.285 -12.379 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 55 38.597 -10.356 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.770 -10.140 -6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 55 37.018 -10.135 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.693 -8.516 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.135 -8.012 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.708 -6.113 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.148 -5.609 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 55 37.939 -4.653 -4.820 1.00 0.00 H new ATOM 870 N LEU A 56 35.689 -11.738 -4.593 1.00 0.00 N ATOM 871 CA LEU A 56 34.324 -11.898 -4.101 1.00 0.00 C ATOM 872 C LEU A 56 34.316 -12.201 -2.607 1.00 0.00 C ATOM 873 O LEU A 56 33.480 -11.686 -1.865 1.00 0.00 O ATOM 874 CB LEU A 56 33.615 -13.018 -4.864 1.00 0.00 C ATOM 875 CG LEU A 56 32.690 -12.575 -5.999 1.00 0.00 C ATOM 876 CD1 LEU A 56 32.065 -13.783 -6.680 1.00 0.00 C ATOM 877 CD2 LEU A 56 31.611 -11.640 -5.473 1.00 0.00 C ATOM 0 H LEU A 56 35.935 -12.359 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 56 33.792 -10.961 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 34.372 -13.684 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 33.031 -13.602 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 56 33.284 -12.034 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.410 -13.449 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.851 -14.416 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.485 -14.351 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.962 -11.335 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.020 -12.156 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 56 32.077 -10.759 -5.032 1.00 0.00 H new ATOM 889 N GLU A 57 35.252 -13.038 -2.172 1.00 0.00 N ATOM 890 CA GLU A 57 35.353 -13.407 -0.765 1.00 0.00 C ATOM 891 C GLU A 57 36.013 -12.295 0.044 1.00 0.00 C ATOM 892 O GLU A 57 36.157 -12.400 1.261 1.00 0.00 O ATOM 893 CB GLU A 57 36.148 -14.706 -0.611 1.00 0.00 C ATOM 894 CG GLU A 57 37.649 -14.520 -0.752 1.00 0.00 C ATOM 895 CD GLU A 57 38.413 -15.823 -0.615 1.00 0.00 C ATOM 896 OE1 GLU A 57 37.777 -16.894 -0.693 1.00 0.00 O ATOM 897 OE2 GLU A 57 39.647 -15.771 -0.429 1.00 0.00 O ATOM 0 H GLU A 57 35.951 -13.473 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 57 34.344 -13.560 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 57 35.934 -15.140 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 57 35.807 -15.422 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 57 37.867 -14.076 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.997 -13.817 0.005 1.00 0.00 H new ATOM 904 N ASN A 58 36.414 -11.230 -0.643 1.00 0.00 N ATOM 905 CA ASN A 58 37.060 -10.098 0.011 1.00 0.00 C ATOM 906 C ASN A 58 36.182 -8.852 -0.064 1.00 0.00 C ATOM 907 O ASN A 58 36.459 -7.910 -0.806 1.00 0.00 O ATOM 908 CB ASN A 58 38.419 -9.817 -0.634 1.00 0.00 C ATOM 909 CG ASN A 58 39.497 -10.764 -0.147 1.00 0.00 C ATOM 910 OD1 ASN A 58 39.232 -11.671 0.643 1.00 0.00 O ATOM 911 ND2 ASN A 58 40.722 -10.558 -0.616 1.00 0.00 N ATOM 0 H ASN A 58 36.303 -11.127 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 58 37.209 -10.353 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 58 38.328 -9.900 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 58 38.716 -8.791 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 58 41.489 -11.164 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 40.896 -9.794 -1.269 1.00 0.00 H new ATOM 918 N PRO A 59 35.097 -8.845 0.725 1.00 0.00 N ATOM 919 CA PRO A 59 34.156 -7.722 0.767 1.00 0.00 C ATOM 920 C PRO A 59 34.760 -6.485 1.422 1.00 0.00 C ATOM 921 O PRO A 59 34.756 -6.354 2.646 1.00 0.00 O ATOM 922 CB PRO A 59 32.997 -8.261 1.609 1.00 0.00 C ATOM 923 CG PRO A 59 33.608 -9.319 2.461 1.00 0.00 C ATOM 924 CD PRO A 59 34.704 -9.934 1.635 1.00 0.00 C ATOM 0 HA PRO A 59 33.861 -7.400 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 59 32.549 -7.474 2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 59 32.206 -8.668 0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 59 34.005 -8.896 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 59 32.868 -10.067 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.539 -10.261 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.352 -10.808 1.087 1.00 0.00 H new ATOM 932 N ALA A 60 35.279 -5.578 0.600 1.00 0.00 N ATOM 933 CA ALA A 60 35.884 -4.350 1.100 1.00 0.00 C ATOM 934 C ALA A 60 35.740 -3.217 0.091 1.00 0.00 C ATOM 935 O ALA A 60 35.320 -2.113 0.439 1.00 0.00 O ATOM 936 CB ALA A 60 37.351 -4.582 1.431 1.00 0.00 C ATOM 0 H ALA A 60 35.292 -5.671 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 60 35.359 -4.059 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 60 37.791 -3.657 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 60 37.434 -5.356 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 60 37.881 -4.900 0.533 1.00 0.00 H new ATOM 942 N ASP A 61 36.090 -3.496 -1.160 1.00 0.00 N ATOM 943 CA ASP A 61 36.000 -2.499 -2.220 1.00 0.00 C ATOM 944 C ASP A 61 34.771 -2.742 -3.091 1.00 0.00 C ATOM 945 O ASP A 61 33.941 -1.851 -3.275 1.00 0.00 O ATOM 946 CB ASP A 61 37.263 -2.523 -3.082 1.00 0.00 C ATOM 947 CG ASP A 61 38.014 -1.207 -3.045 1.00 0.00 C ATOM 948 OD1 ASP A 61 37.353 -0.148 -3.004 1.00 0.00 O ATOM 949 OD2 ASP A 61 39.263 -1.234 -3.059 1.00 0.00 O ATOM 0 H ASP A 61 36.439 -4.405 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 61 35.906 -1.518 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 61 37.919 -3.322 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 61 36.992 -2.755 -4.112 1.00 0.00 H new ATOM 954 N LEU A 62 34.662 -3.953 -3.626 1.00 0.00 N ATOM 955 CA LEU A 62 33.535 -4.314 -4.479 1.00 0.00 C ATOM 956 C LEU A 62 32.211 -3.949 -3.815 1.00 0.00 C ATOM 957 O LEU A 62 31.233 -3.632 -4.492 1.00 0.00 O ATOM 958 CB LEU A 62 33.566 -5.811 -4.793 1.00 0.00 C ATOM 959 CG LEU A 62 33.841 -6.739 -3.609 1.00 0.00 C ATOM 960 CD1 LEU A 62 32.568 -6.986 -2.816 1.00 0.00 C ATOM 961 CD2 LEU A 62 34.435 -8.055 -4.090 1.00 0.00 C ATOM 0 H LEU A 62 35.340 -4.702 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 62 33.621 -3.752 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 32.608 -6.090 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 62 34.328 -5.987 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 62 34.564 -6.254 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 62 32.784 -7.648 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 32.184 -6.038 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.821 -7.449 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 34.624 -8.703 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.735 -8.544 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 62 35.372 -7.862 -4.613 1.00 0.00 H new ATOM 973 N GLU A 63 32.188 -3.995 -2.487 1.00 0.00 N ATOM 974 CA GLU A 63 30.984 -3.668 -1.732 1.00 0.00 C ATOM 975 C GLU A 63 30.817 -2.157 -1.602 1.00 0.00 C ATOM 976 O GLU A 63 30.119 -1.703 -0.697 1.00 0.00 O ATOM 977 CB GLU A 63 31.036 -4.308 -0.343 1.00 0.00 C ATOM 978 CG GLU A 63 32.297 -3.971 0.435 1.00 0.00 C ATOM 979 CD GLU A 63 32.022 -3.697 1.901 1.00 0.00 C ATOM 980 OE1 GLU A 63 31.154 -4.382 2.481 1.00 0.00 O ATOM 981 OE2 GLU A 63 32.676 -2.796 2.468 1.00 0.00 O ATOM 0 H GLU A 63 32.989 -4.255 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 63 30.127 -4.066 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 63 30.168 -3.983 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 63 30.962 -5.390 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 63 33.004 -4.797 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.772 -3.097 -0.011 1.00 0.00 H new TER 988 GLU A 63 ATOM 989 N MET B 1 32.764 -15.219 -26.268 1.00 0.00 N ATOM 990 CA MET B 1 32.328 -14.557 -25.044 1.00 0.00 C ATOM 991 C MET B 1 31.986 -15.581 -23.966 1.00 0.00 C ATOM 992 O MET B 1 31.111 -16.427 -24.154 1.00 0.00 O ATOM 993 CB MET B 1 31.114 -13.669 -25.324 1.00 0.00 C ATOM 994 CG MET B 1 31.403 -12.533 -26.292 1.00 0.00 C ATOM 995 SD MET B 1 31.105 -10.910 -25.566 1.00 0.00 S ATOM 996 CE MET B 1 32.192 -10.970 -24.143 1.00 0.00 C ATOM 0 H1 MET B 1 33.344 -14.563 -26.830 1.00 0.00 H new ATOM 0 H2 MET B 1 33.327 -16.059 -26.027 1.00 0.00 H new ATOM 0 H3 MET B 1 31.932 -15.507 -26.822 1.00 0.00 H new ATOM 0 HA MET B 1 33.148 -13.936 -24.684 1.00 0.00 H new ATOM 0 HB2 MET B 1 30.310 -14.284 -25.728 1.00 0.00 H new ATOM 0 HB3 MET B 1 30.755 -13.252 -24.383 1.00 0.00 H new ATOM 0 HG2 MET B 1 32.441 -12.595 -26.620 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.781 -12.650 -27.179 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.582 -9.972 -23.941 1.00 0.00 H new ATOM 0 HE2 MET B 1 31.636 -11.325 -23.275 1.00 0.00 H new ATOM 0 HE3 MET B 1 33.020 -11.649 -24.346 1.00 0.00 H new ATOM 1006 N LEU B 2 32.680 -15.498 -22.837 1.00 0.00 N ATOM 1007 CA LEU B 2 32.450 -16.417 -21.727 1.00 0.00 C ATOM 1008 C LEU B 2 32.036 -15.660 -20.470 1.00 0.00 C ATOM 1009 O LEU B 2 32.773 -14.807 -19.977 1.00 0.00 O ATOM 1010 CB LEU B 2 33.710 -17.239 -21.451 1.00 0.00 C ATOM 1011 CG LEU B 2 33.495 -18.732 -21.195 1.00 0.00 C ATOM 1012 CD1 LEU B 2 34.827 -19.432 -20.975 1.00 0.00 C ATOM 1013 CD2 LEU B 2 32.576 -18.941 -20.000 1.00 0.00 C ATOM 0 H LEU B 2 33.407 -14.804 -22.665 1.00 0.00 H new ATOM 0 HA LEU B 2 31.639 -17.090 -22.006 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.384 -17.130 -22.301 1.00 0.00 H new ATOM 0 HB3 LEU B 2 34.216 -16.812 -20.585 1.00 0.00 H new ATOM 0 HG LEU B 2 33.020 -19.168 -22.074 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.655 -20.493 -20.794 1.00 0.00 H new ATOM 0 HD12 LEU B 2 35.452 -19.311 -21.860 1.00 0.00 H new ATOM 0 HD13 LEU B 2 35.330 -18.994 -20.113 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.434 -20.009 -19.832 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.023 -18.491 -19.114 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.611 -18.473 -20.197 1.00 0.00 H new ATOM 1025 N MET B 3 30.854 -15.981 -19.954 1.00 0.00 N ATOM 1026 CA MET B 3 30.344 -15.333 -18.751 1.00 0.00 C ATOM 1027 C MET B 3 31.306 -15.524 -17.582 1.00 0.00 C ATOM 1028 O MET B 3 31.541 -16.647 -17.137 1.00 0.00 O ATOM 1029 CB MET B 3 28.967 -15.892 -18.390 1.00 0.00 C ATOM 1030 CG MET B 3 28.026 -14.855 -17.798 1.00 0.00 C ATOM 1031 SD MET B 3 26.864 -15.565 -16.616 1.00 0.00 S ATOM 1032 CE MET B 3 26.942 -14.356 -15.297 1.00 0.00 C ATOM 0 H MET B 3 30.232 -16.686 -20.350 1.00 0.00 H new ATOM 0 HA MET B 3 30.253 -14.266 -18.953 1.00 0.00 H new ATOM 0 HB2 MET B 3 28.510 -16.316 -19.284 1.00 0.00 H new ATOM 0 HB3 MET B 3 29.090 -16.707 -17.677 1.00 0.00 H new ATOM 0 HG2 MET B 3 28.611 -14.079 -17.305 1.00 0.00 H new ATOM 0 HG3 MET B 3 27.471 -14.373 -18.602 1.00 0.00 H new ATOM 0 HE1 MET B 3 27.211 -14.852 -14.364 1.00 0.00 H new ATOM 0 HE2 MET B 3 27.692 -13.603 -15.538 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.970 -13.876 -15.185 1.00 0.00 H new ATOM 1042 N ILE B 4 31.857 -14.419 -17.090 1.00 0.00 N ATOM 1043 CA ILE B 4 32.792 -14.466 -15.973 1.00 0.00 C ATOM 1044 C ILE B 4 32.070 -14.769 -14.664 1.00 0.00 C ATOM 1045 O ILE B 4 32.481 -15.646 -13.903 1.00 0.00 O ATOM 1046 CB ILE B 4 33.561 -13.140 -15.826 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.456 -12.907 -17.046 1.00 0.00 C ATOM 1048 CG2 ILE B 4 34.388 -13.145 -14.549 1.00 0.00 C ATOM 1049 CD1 ILE B 4 35.375 -14.069 -17.352 1.00 0.00 C ATOM 0 H ILE B 4 31.672 -13.482 -17.447 1.00 0.00 H new ATOM 0 HA ILE B 4 33.501 -15.266 -16.189 1.00 0.00 H new ATOM 0 HB ILE B 4 32.841 -12.324 -15.765 1.00 0.00 H new ATOM 0 HG12 ILE B 4 33.828 -12.712 -17.915 1.00 0.00 H new ATOM 0 HG13 ILE B 4 35.057 -12.013 -16.880 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.925 -12.201 -14.460 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.729 -13.270 -13.690 1.00 0.00 H new ATOM 0 HG23 ILE B 4 35.102 -13.968 -14.581 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.979 -13.834 -18.228 1.00 0.00 H new ATOM 0 HD12 ILE B 4 36.028 -14.251 -16.499 1.00 0.00 H new ATOM 0 HD13 ILE B 4 34.780 -14.961 -17.550 1.00 0.00 H new ATOM 1061 N THR B 5 30.989 -14.038 -14.408 1.00 0.00 N ATOM 1062 CA THR B 5 30.208 -14.229 -13.192 1.00 0.00 C ATOM 1063 C THR B 5 28.968 -13.343 -13.191 1.00 0.00 C ATOM 1064 O THR B 5 28.854 -12.417 -13.995 1.00 0.00 O ATOM 1065 CB THR B 5 31.044 -13.924 -11.935 1.00 0.00 C ATOM 1066 OG1 THR B 5 30.327 -14.322 -10.761 1.00 0.00 O ATOM 1067 CG2 THR B 5 31.377 -12.442 -11.852 1.00 0.00 C ATOM 0 H THR B 5 30.635 -13.308 -15.027 1.00 0.00 H new ATOM 0 HA THR B 5 29.904 -15.275 -13.172 1.00 0.00 H new ATOM 0 HB THR B 5 31.975 -14.487 -12.001 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.866 -14.126 -9.966 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.968 -12.251 -10.956 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.948 -12.148 -12.733 1.00 0.00 H new ATOM 0 HG23 THR B 5 30.454 -11.864 -11.808 1.00 0.00 H new ATOM 1075 N SER B 6 28.041 -13.632 -12.284 1.00 0.00 N ATOM 1076 CA SER B 6 26.806 -12.862 -12.180 1.00 0.00 C ATOM 1077 C SER B 6 26.728 -12.139 -10.840 1.00 0.00 C ATOM 1078 O SER B 6 26.965 -12.730 -9.787 1.00 0.00 O ATOM 1079 CB SER B 6 25.593 -13.780 -12.349 1.00 0.00 C ATOM 1080 OG SER B 6 25.084 -14.189 -11.092 1.00 0.00 O ATOM 0 H SER B 6 28.121 -14.394 -11.610 1.00 0.00 H new ATOM 0 HA SER B 6 26.803 -12.117 -12.975 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.815 -13.260 -12.908 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.875 -14.656 -12.933 1.00 0.00 H new ATOM 0 HG SER B 6 24.309 -14.773 -11.227 1.00 0.00 H new ATOM 1086 N PHE B 7 26.393 -10.853 -10.887 1.00 0.00 N ATOM 1087 CA PHE B 7 26.284 -10.047 -9.677 1.00 0.00 C ATOM 1088 C PHE B 7 24.902 -9.408 -9.572 1.00 0.00 C ATOM 1089 O PHE B 7 24.138 -9.393 -10.537 1.00 0.00 O ATOM 1090 CB PHE B 7 27.362 -8.961 -9.664 1.00 0.00 C ATOM 1091 CG PHE B 7 28.757 -9.504 -9.538 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.040 -10.523 -8.644 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.786 -8.993 -10.314 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.323 -11.025 -8.526 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.070 -9.491 -10.200 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.339 -10.508 -9.305 1.00 0.00 C ATOM 0 H PHE B 7 26.193 -10.348 -11.750 1.00 0.00 H new ATOM 0 HA PHE B 7 26.428 -10.703 -8.819 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.289 -8.377 -10.581 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.170 -8.279 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.249 -10.930 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.582 -8.197 -11.015 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.530 -11.820 -7.825 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.863 -9.085 -10.811 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.342 -10.898 -9.215 1.00 0.00 H new ATOM 1106 N ALA B 8 24.588 -8.881 -8.393 1.00 0.00 N ATOM 1107 CA ALA B 8 23.300 -8.240 -8.161 1.00 0.00 C ATOM 1108 C ALA B 8 23.479 -6.848 -7.565 1.00 0.00 C ATOM 1109 O ALA B 8 22.752 -6.455 -6.654 1.00 0.00 O ATOM 1110 CB ALA B 8 22.439 -9.100 -7.249 1.00 0.00 C ATOM 0 H ALA B 8 25.209 -8.886 -7.584 1.00 0.00 H new ATOM 0 HA ALA B 8 22.797 -8.133 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.480 -8.609 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.274 -10.072 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA B 8 22.945 -9.237 -6.293 1.00 0.00 H new ATOM 1116 N ASN B 9 24.453 -6.107 -8.085 1.00 0.00 N ATOM 1117 CA ASN B 9 24.728 -4.759 -7.602 1.00 0.00 C ATOM 1118 C ASN B 9 25.674 -4.025 -8.547 1.00 0.00 C ATOM 1119 O ASN B 9 26.617 -4.601 -9.092 1.00 0.00 O ATOM 1120 CB ASN B 9 25.331 -4.811 -6.197 1.00 0.00 C ATOM 1121 CG ASN B 9 24.362 -4.333 -5.133 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.499 -3.496 -5.395 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.501 -4.866 -3.924 1.00 0.00 N ATOM 0 H ASN B 9 25.064 -6.418 -8.840 1.00 0.00 H new ATOM 0 HA ASN B 9 23.785 -4.214 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.636 -5.833 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.230 -4.196 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.878 -4.584 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.231 -5.557 -3.752 1.00 0.00 H new ATOM 1130 N PRO B 10 25.420 -2.724 -8.747 1.00 0.00 N ATOM 1131 CA PRO B 10 26.238 -1.883 -9.625 1.00 0.00 C ATOM 1132 C PRO B 10 27.627 -1.623 -9.051 1.00 0.00 C ATOM 1133 O PRO B 10 28.632 -1.747 -9.751 1.00 0.00 O ATOM 1134 CB PRO B 10 25.442 -0.578 -9.710 1.00 0.00 C ATOM 1135 CG PRO B 10 24.641 -0.541 -8.455 1.00 0.00 C ATOM 1136 CD PRO B 10 24.314 -1.972 -8.130 1.00 0.00 C ATOM 0 HA PRO B 10 26.414 -2.355 -10.592 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.104 0.285 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.800 -0.563 -10.590 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.204 -0.076 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.732 0.046 -8.589 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.266 -2.139 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.349 -2.267 -8.542 1.00 0.00 H new ATOM 1144 N ARG B 11 27.675 -1.263 -7.772 1.00 0.00 N ATOM 1145 CA ARG B 11 28.941 -0.986 -7.104 1.00 0.00 C ATOM 1146 C ARG B 11 29.921 -2.139 -7.296 1.00 0.00 C ATOM 1147 O ARG B 11 31.084 -1.929 -7.641 1.00 0.00 O ATOM 1148 CB ARG B 11 28.711 -0.740 -5.612 1.00 0.00 C ATOM 1149 CG ARG B 11 29.996 -0.609 -4.811 1.00 0.00 C ATOM 1150 CD ARG B 11 30.752 0.660 -5.174 1.00 0.00 C ATOM 1151 NE ARG B 11 30.970 1.518 -4.012 1.00 0.00 N ATOM 1152 CZ ARG B 11 31.834 2.527 -3.996 1.00 0.00 C ATOM 1153 NH1 ARG B 11 32.556 2.803 -5.073 1.00 0.00 N ATOM 1154 NH2 ARG B 11 31.977 3.262 -2.901 1.00 0.00 N ATOM 0 H ARG B 11 26.852 -1.156 -7.178 1.00 0.00 H new ATOM 0 HA ARG B 11 29.371 -0.089 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.122 0.169 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG B 11 28.121 -1.560 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG B 11 29.763 -0.603 -3.746 1.00 0.00 H new ATOM 0 HG3 ARG B 11 30.630 -1.477 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG B 11 31.713 0.396 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG B 11 30.194 1.210 -5.932 1.00 0.00 H new ATOM 0 HE ARG B 11 30.430 1.332 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG B 11 32.449 2.240 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG B 11 33.219 3.578 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG B 11 31.423 3.053 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG B 11 32.641 4.036 -2.890 1.00 0.00 H new ATOM 1168 N VAL B 12 29.444 -3.359 -7.068 1.00 0.00 N ATOM 1169 CA VAL B 12 30.277 -4.546 -7.216 1.00 0.00 C ATOM 1170 C VAL B 12 30.652 -4.776 -8.676 1.00 0.00 C ATOM 1171 O VAL B 12 31.831 -4.860 -9.019 1.00 0.00 O ATOM 1172 CB VAL B 12 29.566 -5.801 -6.676 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.402 -7.044 -6.941 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.276 -5.651 -5.191 1.00 0.00 C ATOM 0 H VAL B 12 28.484 -3.551 -6.780 1.00 0.00 H new ATOM 0 HA VAL B 12 31.182 -4.372 -6.635 1.00 0.00 H new ATOM 0 HB VAL B 12 28.616 -5.913 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.884 -7.921 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.554 -7.158 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.368 -6.945 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.773 -6.547 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.212 -5.514 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.634 -4.784 -5.031 1.00 0.00 H new ATOM 1184 N ALA B 13 29.640 -4.877 -9.532 1.00 0.00 N ATOM 1185 CA ALA B 13 29.863 -5.095 -10.956 1.00 0.00 C ATOM 1186 C ALA B 13 30.896 -4.116 -11.506 1.00 0.00 C ATOM 1187 O ALA B 13 31.925 -4.524 -12.043 1.00 0.00 O ATOM 1188 CB ALA B 13 28.554 -4.968 -11.721 1.00 0.00 C ATOM 0 H ALA B 13 28.658 -4.811 -9.264 1.00 0.00 H new ATOM 0 HA ALA B 13 30.251 -6.105 -11.087 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.736 -5.133 -12.783 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.845 -5.710 -11.354 1.00 0.00 H new ATOM 0 HB3 ALA B 13 28.142 -3.969 -11.574 1.00 0.00 H new ATOM 1194 N GLN B 14 30.613 -2.825 -11.367 1.00 0.00 N ATOM 1195 CA GLN B 14 31.518 -1.789 -11.852 1.00 0.00 C ATOM 1196 C GLN B 14 32.897 -1.931 -11.217 1.00 0.00 C ATOM 1197 O GLN B 14 33.914 -1.924 -11.911 1.00 0.00 O ATOM 1198 CB GLN B 14 30.946 -0.402 -11.554 1.00 0.00 C ATOM 1199 CG GLN B 14 31.919 0.731 -11.837 1.00 0.00 C ATOM 1200 CD GLN B 14 32.288 0.830 -13.304 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.678 1.588 -14.059 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.291 0.064 -13.715 1.00 0.00 N ATOM 0 H GLN B 14 29.765 -2.471 -10.923 1.00 0.00 H new ATOM 0 HA GLN B 14 31.621 -1.907 -12.931 1.00 0.00 H new ATOM 0 HB2 GLN B 14 30.045 -0.254 -12.150 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.646 -0.359 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.478 1.673 -11.513 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.824 0.583 -11.248 1.00 0.00 H new ATOM 0 HE21 GLN B 14 33.768 -0.549 -13.054 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.585 0.089 -14.692 1.00 0.00 H new ATOM 1211 N ALA B 15 32.924 -2.058 -9.895 1.00 0.00 N ATOM 1212 CA ALA B 15 34.179 -2.203 -9.167 1.00 0.00 C ATOM 1213 C ALA B 15 35.015 -3.344 -9.736 1.00 0.00 C ATOM 1214 O ALA B 15 36.221 -3.202 -9.938 1.00 0.00 O ATOM 1215 CB ALA B 15 33.907 -2.432 -7.687 1.00 0.00 C ATOM 0 H ALA B 15 32.091 -2.063 -9.306 1.00 0.00 H new ATOM 0 HA ALA B 15 34.746 -1.279 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.853 -2.539 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.357 -1.582 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.316 -3.339 -7.562 1.00 0.00 H new ATOM 1221 N PHE B 16 34.368 -4.476 -9.991 1.00 0.00 N ATOM 1222 CA PHE B 16 35.053 -5.643 -10.536 1.00 0.00 C ATOM 1223 C PHE B 16 35.696 -5.317 -11.881 1.00 0.00 C ATOM 1224 O PHE B 16 36.916 -5.390 -12.032 1.00 0.00 O ATOM 1225 CB PHE B 16 34.074 -6.808 -10.694 1.00 0.00 C ATOM 1226 CG PHE B 16 34.120 -7.789 -9.558 1.00 0.00 C ATOM 1227 CD1 PHE B 16 35.112 -8.755 -9.499 1.00 0.00 C ATOM 1228 CD2 PHE B 16 33.172 -7.746 -8.549 1.00 0.00 C ATOM 1229 CE1 PHE B 16 35.158 -9.659 -8.455 1.00 0.00 C ATOM 1230 CE2 PHE B 16 33.213 -8.647 -7.502 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.206 -9.605 -7.456 1.00 0.00 C ATOM 0 H PHE B 16 33.370 -4.611 -9.829 1.00 0.00 H new ATOM 0 HA PHE B 16 35.839 -5.931 -9.838 1.00 0.00 H new ATOM 0 HB2 PHE B 16 33.062 -6.412 -10.781 1.00 0.00 H new ATOM 0 HB3 PHE B 16 34.292 -7.332 -11.625 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.858 -8.802 -10.278 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.392 -7.000 -8.581 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.937 -10.406 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.469 -8.602 -6.720 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.238 -10.311 -6.640 1.00 0.00 H new ATOM 1241 N VAL B 17 34.866 -4.959 -12.855 1.00 0.00 N ATOM 1242 CA VAL B 17 35.352 -4.621 -14.188 1.00 0.00 C ATOM 1243 C VAL B 17 36.340 -3.461 -14.135 1.00 0.00 C ATOM 1244 O VAL B 17 37.157 -3.287 -15.040 1.00 0.00 O ATOM 1245 CB VAL B 17 34.193 -4.251 -15.131 1.00 0.00 C ATOM 1246 CG1 VAL B 17 33.267 -5.441 -15.333 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.426 -3.055 -14.588 1.00 0.00 C ATOM 0 H VAL B 17 33.854 -4.895 -12.746 1.00 0.00 H new ATOM 0 HA VAL B 17 35.856 -5.507 -14.575 1.00 0.00 H new ATOM 0 HB VAL B 17 34.610 -3.977 -16.100 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.454 -5.160 -16.002 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.827 -6.268 -15.770 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.855 -5.749 -14.372 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.610 -2.807 -15.267 1.00 0.00 H new ATOM 0 HG22 VAL B 17 33.020 -3.299 -13.606 1.00 0.00 H new ATOM 0 HG23 VAL B 17 34.098 -2.201 -14.501 1.00 0.00 H new ATOM 1257 N ASP B 18 36.260 -2.672 -13.070 1.00 0.00 N ATOM 1258 CA ASP B 18 37.149 -1.528 -12.898 1.00 0.00 C ATOM 1259 C ASP B 18 38.572 -1.986 -12.597 1.00 0.00 C ATOM 1260 O ASP B 18 39.504 -1.682 -13.343 1.00 0.00 O ATOM 1261 CB ASP B 18 36.642 -0.626 -11.771 1.00 0.00 C ATOM 1262 CG ASP B 18 37.425 0.667 -11.668 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.243 1.543 -12.540 1.00 0.00 O ATOM 1264 OD2 ASP B 18 38.220 0.805 -10.715 1.00 0.00 O ATOM 0 H ASP B 18 35.589 -2.803 -12.313 1.00 0.00 H new ATOM 0 HA ASP B 18 37.158 -0.963 -13.830 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.589 -0.398 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.705 -1.162 -10.824 1.00 0.00 H new ATOM 1269 N TYR B 19 38.734 -2.718 -11.501 1.00 0.00 N ATOM 1270 CA TYR B 19 40.044 -3.216 -11.099 1.00 0.00 C ATOM 1271 C TYR B 19 40.602 -4.182 -12.140 1.00 0.00 C ATOM 1272 O TYR B 19 41.814 -4.372 -12.241 1.00 0.00 O ATOM 1273 CB TYR B 19 39.956 -3.909 -9.739 1.00 0.00 C ATOM 1274 CG TYR B 19 39.884 -5.416 -9.831 1.00 0.00 C ATOM 1275 CD1 TYR B 19 41.041 -6.183 -9.902 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.660 -6.074 -9.845 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.980 -7.561 -9.987 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.590 -7.451 -9.928 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.752 -8.190 -9.999 1.00 0.00 C ATOM 1280 OH TYR B 19 39.688 -9.562 -10.082 1.00 0.00 O ATOM 0 H TYR B 19 37.973 -2.980 -10.874 1.00 0.00 H new ATOM 0 HA TYR B 19 40.719 -2.364 -11.021 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.825 -3.631 -9.142 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.076 -3.543 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR B 19 42.004 -5.694 -9.891 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.748 -5.499 -9.790 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.888 -8.142 -10.044 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.630 -7.946 -9.937 1.00 0.00 H new ATOM 0 HH TYR B 19 38.750 -9.847 -10.078 1.00 0.00 H new ATOM 1290 N MET B 20 39.708 -4.791 -12.911 1.00 0.00 N ATOM 1291 CA MET B 20 40.109 -5.737 -13.946 1.00 0.00 C ATOM 1292 C MET B 20 40.635 -5.006 -15.177 1.00 0.00 C ATOM 1293 O MET B 20 41.650 -5.394 -15.755 1.00 0.00 O ATOM 1294 CB MET B 20 38.931 -6.632 -14.335 1.00 0.00 C ATOM 1295 CG MET B 20 38.718 -7.802 -13.388 1.00 0.00 C ATOM 1296 SD MET B 20 39.441 -9.334 -14.005 1.00 0.00 S ATOM 1297 CE MET B 20 41.123 -9.178 -13.411 1.00 0.00 C ATOM 0 H MET B 20 38.701 -4.647 -12.839 1.00 0.00 H new ATOM 0 HA MET B 20 40.910 -6.358 -13.544 1.00 0.00 H new ATOM 0 HB2 MET B 20 38.023 -6.030 -14.366 1.00 0.00 H new ATOM 0 HB3 MET B 20 39.094 -7.015 -15.342 1.00 0.00 H new ATOM 0 HG2 MET B 20 39.154 -7.564 -12.418 1.00 0.00 H new ATOM 0 HG3 MET B 20 37.649 -7.947 -13.230 1.00 0.00 H new ATOM 0 HE1 MET B 20 41.456 -10.134 -13.006 1.00 0.00 H new ATOM 0 HE2 MET B 20 41.774 -8.887 -14.235 1.00 0.00 H new ATOM 0 HE3 MET B 20 41.164 -8.419 -12.630 1.00 0.00 H new ATOM 1307 N ALA B 21 39.938 -3.946 -15.573 1.00 0.00 N ATOM 1308 CA ALA B 21 40.336 -3.160 -16.734 1.00 0.00 C ATOM 1309 C ALA B 21 41.676 -2.472 -16.498 1.00 0.00 C ATOM 1310 O ALA B 21 42.530 -2.429 -17.385 1.00 0.00 O ATOM 1311 CB ALA B 21 39.265 -2.133 -17.069 1.00 0.00 C ATOM 0 H ALA B 21 39.095 -3.612 -15.107 1.00 0.00 H new ATOM 0 HA ALA B 21 40.450 -3.839 -17.579 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.576 -1.553 -17.938 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.328 -2.644 -17.290 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.123 -1.465 -16.219 1.00 0.00 H new ATOM 1317 N THR B 22 41.855 -1.932 -15.296 1.00 0.00 N ATOM 1318 CA THR B 22 43.091 -1.244 -14.944 1.00 0.00 C ATOM 1319 C THR B 22 44.237 -2.232 -14.759 1.00 0.00 C ATOM 1320 O THR B 22 45.401 -1.839 -14.692 1.00 0.00 O ATOM 1321 CB THR B 22 42.926 -0.420 -13.653 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.106 0.356 -13.414 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.660 -1.327 -12.461 1.00 0.00 C ATOM 0 H THR B 22 41.160 -1.958 -14.550 1.00 0.00 H new ATOM 0 HA THR B 22 43.325 -0.571 -15.769 1.00 0.00 H new ATOM 0 HB THR B 22 42.072 0.246 -13.780 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.893 -0.145 -13.713 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.547 -0.722 -11.561 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.746 -1.895 -12.633 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.496 -2.015 -12.333 1.00 0.00 H new ATOM 1331 N GLN B 23 43.900 -3.515 -14.680 1.00 0.00 N ATOM 1332 CA GLN B 23 44.903 -4.559 -14.503 1.00 0.00 C ATOM 1333 C GLN B 23 45.307 -5.157 -15.846 1.00 0.00 C ATOM 1334 O GLN B 23 46.197 -6.004 -15.917 1.00 0.00 O ATOM 1335 CB GLN B 23 44.370 -5.657 -13.582 1.00 0.00 C ATOM 1336 CG GLN B 23 44.574 -5.364 -12.104 1.00 0.00 C ATOM 1337 CD GLN B 23 45.993 -5.637 -11.646 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.876 -4.664 -11.841 1.00 0.00 O flip ATOM 1339 NE2 GLN B 23 46.292 -6.710 -11.121 1.00 0.00 N flip ATOM 0 H GLN B 23 42.941 -3.857 -14.736 1.00 0.00 H new ATOM 0 HA GLN B 23 45.784 -4.108 -14.046 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.306 -5.795 -13.773 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.863 -6.597 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN B 23 44.327 -4.321 -11.907 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.884 -5.971 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.581 -7.430 -10.991 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.251 -6.879 -10.816 1.00 0.00 H new ATOM 1348 N GLY B 24 44.647 -4.711 -16.911 1.00 0.00 N ATOM 1349 CA GLY B 24 44.952 -5.214 -18.237 1.00 0.00 C ATOM 1350 C GLY B 24 43.936 -6.231 -18.719 1.00 0.00 C ATOM 1351 O GLY B 24 44.191 -6.972 -19.669 1.00 0.00 O ATOM 0 H GLY B 24 43.907 -4.010 -16.878 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.989 -4.381 -18.939 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.942 -5.669 -18.231 1.00 0.00 H new ATOM 1355 N VAL B 25 42.781 -6.269 -18.063 1.00 0.00 N ATOM 1356 CA VAL B 25 41.723 -7.202 -18.429 1.00 0.00 C ATOM 1357 C VAL B 25 40.395 -6.480 -18.624 1.00 0.00 C ATOM 1358 O VAL B 25 39.813 -5.961 -17.671 1.00 0.00 O ATOM 1359 CB VAL B 25 41.547 -8.298 -17.361 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.507 -9.315 -17.806 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.877 -8.976 -17.069 1.00 0.00 C ATOM 0 H VAL B 25 42.554 -5.663 -17.274 1.00 0.00 H new ATOM 0 HA VAL B 25 42.022 -7.665 -19.369 1.00 0.00 H new ATOM 0 HB VAL B 25 41.194 -7.831 -16.441 1.00 0.00 H new ATOM 0 HG11 VAL B 25 40.396 -10.082 -17.039 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.551 -8.814 -17.960 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.828 -9.779 -18.739 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.734 -9.747 -16.312 1.00 0.00 H new ATOM 0 HG22 VAL B 25 43.262 -9.430 -17.982 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.590 -8.237 -16.703 1.00 0.00 H new ATOM 1371 N ILE B 26 39.921 -6.450 -19.865 1.00 0.00 N ATOM 1372 CA ILE B 26 38.660 -5.792 -20.184 1.00 0.00 C ATOM 1373 C ILE B 26 37.473 -6.697 -19.873 1.00 0.00 C ATOM 1374 O ILE B 26 37.465 -7.875 -20.233 1.00 0.00 O ATOM 1375 CB ILE B 26 38.601 -5.378 -21.667 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.738 -4.408 -21.994 1.00 0.00 C ATOM 1377 CG2 ILE B 26 37.253 -4.750 -21.988 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.713 -3.145 -21.161 1.00 0.00 C ATOM 0 H ILE B 26 40.391 -6.873 -20.665 1.00 0.00 H new ATOM 0 HA ILE B 26 38.604 -4.898 -19.563 1.00 0.00 H new ATOM 0 HB ILE B 26 38.721 -6.269 -22.283 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.691 -4.914 -21.843 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.683 -4.139 -23.049 1.00 0.00 H new ATOM 0 HG21 ILE B 26 37.227 -4.463 -23.039 1.00 0.00 H new ATOM 0 HG22 ILE B 26 36.459 -5.470 -21.789 1.00 0.00 H new ATOM 0 HG23 ILE B 26 37.106 -3.867 -21.367 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.547 -2.504 -21.447 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.775 -2.616 -21.330 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.799 -3.403 -20.106 1.00 0.00 H new ATOM 1390 N LEU B 27 36.470 -6.140 -19.204 1.00 0.00 N ATOM 1391 CA LEU B 27 35.275 -6.896 -18.846 1.00 0.00 C ATOM 1392 C LEU B 27 34.012 -6.138 -19.241 1.00 0.00 C ATOM 1393 O LEU B 27 34.048 -4.931 -19.481 1.00 0.00 O ATOM 1394 CB LEU B 27 35.262 -7.185 -17.344 1.00 0.00 C ATOM 1395 CG LEU B 27 36.201 -8.292 -16.864 1.00 0.00 C ATOM 1396 CD1 LEU B 27 36.100 -8.463 -15.357 1.00 0.00 C ATOM 1397 CD2 LEU B 27 35.888 -9.601 -17.574 1.00 0.00 C ATOM 0 H LEU B 27 36.460 -5.167 -18.898 1.00 0.00 H new ATOM 0 HA LEU B 27 35.295 -7.840 -19.391 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.516 -6.266 -16.816 1.00 0.00 H new ATOM 0 HB3 LEU B 27 34.245 -7.448 -17.054 1.00 0.00 H new ATOM 0 HG LEU B 27 37.224 -8.005 -17.107 1.00 0.00 H new ATOM 0 HD11 LEU B 27 36.776 -9.255 -15.035 1.00 0.00 H new ATOM 0 HD12 LEU B 27 36.375 -7.530 -14.866 1.00 0.00 H new ATOM 0 HD13 LEU B 27 35.077 -8.727 -15.089 1.00 0.00 H new ATOM 0 HD21 LEU B 27 36.566 -10.378 -17.220 1.00 0.00 H new ATOM 0 HD22 LEU B 27 34.859 -9.893 -17.362 1.00 0.00 H new ATOM 0 HD23 LEU B 27 36.014 -9.471 -18.649 1.00 0.00 H new ATOM 1409 N THR B 28 32.894 -6.854 -19.304 1.00 0.00 N ATOM 1410 CA THR B 28 31.619 -6.249 -19.669 1.00 0.00 C ATOM 1411 C THR B 28 30.548 -6.553 -18.626 1.00 0.00 C ATOM 1412 O THR B 28 30.541 -7.627 -18.025 1.00 0.00 O ATOM 1413 CB THR B 28 31.134 -6.746 -21.044 1.00 0.00 C ATOM 1414 OG1 THR B 28 32.176 -7.482 -21.694 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.709 -5.578 -21.921 1.00 0.00 C ATOM 0 H THR B 28 32.846 -7.854 -19.107 1.00 0.00 H new ATOM 0 HA THR B 28 31.782 -5.172 -19.717 1.00 0.00 H new ATOM 0 HB THR B 28 30.273 -7.396 -20.888 1.00 0.00 H new ATOM 0 HG1 THR B 28 32.327 -8.325 -21.217 1.00 0.00 H new ATOM 0 HG21 THR B 28 30.370 -5.953 -22.887 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.897 -5.036 -21.437 1.00 0.00 H new ATOM 0 HG23 THR B 28 31.555 -4.907 -22.069 1.00 0.00 H new ATOM 1423 N ILE B 29 29.646 -5.600 -18.417 1.00 0.00 N ATOM 1424 CA ILE B 29 28.570 -5.767 -17.448 1.00 0.00 C ATOM 1425 C ILE B 29 27.207 -5.546 -18.096 1.00 0.00 C ATOM 1426 O ILE B 29 27.055 -4.689 -18.965 1.00 0.00 O ATOM 1427 CB ILE B 29 28.725 -4.796 -16.262 1.00 0.00 C ATOM 1428 CG1 ILE B 29 30.015 -5.095 -15.496 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.520 -4.892 -15.339 1.00 0.00 C ATOM 1430 CD1 ILE B 29 30.053 -6.481 -14.893 1.00 0.00 C ATOM 0 H ILE B 29 29.639 -4.705 -18.905 1.00 0.00 H new ATOM 0 HA ILE B 29 28.633 -6.791 -17.080 1.00 0.00 H new ATOM 0 HB ILE B 29 28.782 -3.778 -16.649 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.864 -4.978 -16.170 1.00 0.00 H new ATOM 0 HG13 ILE B 29 30.135 -4.359 -14.701 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.644 -4.200 -14.506 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.617 -4.636 -15.892 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.435 -5.909 -14.956 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.996 -6.623 -14.365 1.00 0.00 H new ATOM 0 HD12 ILE B 29 29.225 -6.596 -14.193 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.965 -7.225 -15.685 1.00 0.00 H new ATOM 1442 N GLN B 30 26.221 -6.325 -17.665 1.00 0.00 N ATOM 1443 CA GLN B 30 24.870 -6.214 -18.203 1.00 0.00 C ATOM 1444 C GLN B 30 23.864 -5.928 -17.093 1.00 0.00 C ATOM 1445 O GLN B 30 23.496 -6.821 -16.331 1.00 0.00 O ATOM 1446 CB GLN B 30 24.484 -7.498 -18.939 1.00 0.00 C ATOM 1447 CG GLN B 30 24.642 -7.406 -20.448 1.00 0.00 C ATOM 1448 CD GLN B 30 23.331 -7.598 -21.184 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.744 -8.680 -21.161 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.863 -6.544 -21.844 1.00 0.00 N ATOM 0 H GLN B 30 26.332 -7.039 -16.945 1.00 0.00 H new ATOM 0 HA GLN B 30 24.854 -5.382 -18.907 1.00 0.00 H new ATOM 0 HB2 GLN B 30 25.098 -8.318 -18.567 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.448 -7.744 -18.705 1.00 0.00 H new ATOM 0 HG2 GLN B 30 25.061 -6.434 -20.707 1.00 0.00 H new ATOM 0 HG3 GLN B 30 25.355 -8.160 -20.782 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.382 -5.666 -21.837 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.985 -6.613 -22.358 1.00 0.00 H new ATOM 1459 N GLN B 31 23.424 -4.676 -17.009 1.00 0.00 N ATOM 1460 CA GLN B 31 22.461 -4.273 -15.991 1.00 0.00 C ATOM 1461 C GLN B 31 21.032 -4.420 -16.504 1.00 0.00 C ATOM 1462 O GLN B 31 20.604 -3.689 -17.397 1.00 0.00 O ATOM 1463 CB GLN B 31 22.715 -2.826 -15.563 1.00 0.00 C ATOM 1464 CG GLN B 31 22.686 -2.623 -14.056 1.00 0.00 C ATOM 1465 CD GLN B 31 21.968 -1.351 -13.653 1.00 0.00 C ATOM 1466 OE1 GLN B 31 22.442 -0.246 -13.916 1.00 0.00 O ATOM 1467 NE2 GLN B 31 20.815 -1.501 -13.010 1.00 0.00 N ATOM 0 H GLN B 31 23.719 -3.925 -17.633 1.00 0.00 H new ATOM 0 HA GLN B 31 22.587 -4.928 -15.129 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.685 -2.508 -15.946 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.964 -2.183 -16.022 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.196 -3.476 -13.588 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.708 -2.595 -13.677 1.00 0.00 H new ATOM 0 HE21 GLN B 31 20.459 -2.436 -12.813 1.00 0.00 H new ATOM 0 HE22 GLN B 31 20.286 -0.681 -12.714 1.00 0.00 H new ATOM 1476 N HIS B 32 20.299 -5.371 -15.933 1.00 0.00 N ATOM 1477 CA HIS B 32 18.918 -5.614 -16.333 1.00 0.00 C ATOM 1478 C HIS B 32 18.018 -4.456 -15.912 1.00 0.00 C ATOM 1479 O HIS B 32 18.338 -3.715 -14.984 1.00 0.00 O ATOM 1480 CB HIS B 32 18.409 -6.919 -15.720 1.00 0.00 C ATOM 1481 CG HIS B 32 19.217 -8.119 -16.110 1.00 0.00 C ATOM 1482 ND1 HIS B 32 18.916 -9.397 -15.690 1.00 0.00 N ATOM 1483 CD2 HIS B 32 20.319 -8.229 -16.887 1.00 0.00 C ATOM 1484 CE1 HIS B 32 19.799 -10.242 -16.191 1.00 0.00 C ATOM 1485 NE2 HIS B 32 20.662 -9.558 -16.921 1.00 0.00 N ATOM 0 H HIS B 32 20.638 -5.985 -15.193 1.00 0.00 H new ATOM 0 HA HIS B 32 18.890 -5.696 -17.420 1.00 0.00 H new ATOM 0 HB2 HIS B 32 18.412 -6.826 -14.634 1.00 0.00 H new ATOM 0 HB3 HIS B 32 17.374 -7.074 -16.024 1.00 0.00 H new ATOM 0 HD2 HIS B 32 20.833 -7.422 -17.387 1.00 0.00 H new ATOM 0 HE1 HIS B 32 19.813 -11.310 -16.031 1.00 0.00 H new ATOM 0 HE2 HIS B 32 21.454 -9.953 -17.428 1.00 0.00 H new ATOM 1493 N ASN B 33 16.892 -4.306 -16.602 1.00 0.00 N ATOM 1494 CA ASN B 33 15.947 -3.237 -16.300 1.00 0.00 C ATOM 1495 C ASN B 33 14.525 -3.647 -16.671 1.00 0.00 C ATOM 1496 O ASN B 33 14.200 -3.797 -17.848 1.00 0.00 O ATOM 1497 CB ASN B 33 16.333 -1.960 -17.048 1.00 0.00 C ATOM 1498 CG ASN B 33 17.035 -2.249 -18.361 1.00 0.00 C ATOM 1499 OD1 ASN B 33 16.399 -2.337 -19.412 1.00 0.00 O ATOM 1500 ND2 ASN B 33 18.353 -2.399 -18.307 1.00 0.00 N ATOM 0 H ASN B 33 16.612 -4.911 -17.374 1.00 0.00 H new ATOM 0 HA ASN B 33 15.983 -3.047 -15.227 1.00 0.00 H new ATOM 0 HB2 ASN B 33 15.437 -1.370 -17.240 1.00 0.00 H new ATOM 0 HB3 ASN B 33 16.984 -1.355 -16.417 1.00 0.00 H new ATOM 0 HD21 ASN B 33 18.879 -2.595 -19.158 1.00 0.00 H new ATOM 0 HD22 ASN B 33 18.839 -2.318 -17.414 1.00 0.00 H new ATOM 1507 N GLN B 34 13.683 -3.826 -15.658 1.00 0.00 N ATOM 1508 CA GLN B 34 12.296 -4.219 -15.879 1.00 0.00 C ATOM 1509 C GLN B 34 11.423 -3.822 -14.693 1.00 0.00 C ATOM 1510 O GLN B 34 11.762 -4.095 -13.541 1.00 0.00 O ATOM 1511 CB GLN B 34 12.202 -5.727 -16.115 1.00 0.00 C ATOM 1512 CG GLN B 34 12.287 -6.120 -17.581 1.00 0.00 C ATOM 1513 CD GLN B 34 11.079 -6.908 -18.045 1.00 0.00 C ATOM 1514 OE1 GLN B 34 9.988 -6.780 -17.488 1.00 0.00 O ATOM 1515 NE2 GLN B 34 11.266 -7.730 -19.071 1.00 0.00 N ATOM 0 H GLN B 34 13.937 -3.705 -14.677 1.00 0.00 H new ATOM 0 HA GLN B 34 11.933 -3.697 -16.765 1.00 0.00 H new ATOM 0 HB2 GLN B 34 13.004 -6.223 -15.568 1.00 0.00 H new ATOM 0 HB3 GLN B 34 11.261 -6.093 -15.703 1.00 0.00 H new ATOM 0 HG2 GLN B 34 12.385 -5.221 -18.189 1.00 0.00 H new ATOM 0 HG3 GLN B 34 13.187 -6.713 -17.742 1.00 0.00 H new ATOM 0 HE21 GLN B 34 12.187 -7.805 -19.503 1.00 0.00 H new ATOM 0 HE22 GLN B 34 10.489 -8.286 -19.427 1.00 0.00 H new ATOM 1524 N SER B 35 10.298 -3.177 -14.982 1.00 0.00 N ATOM 1525 CA SER B 35 9.378 -2.740 -13.938 1.00 0.00 C ATOM 1526 C SER B 35 8.084 -3.548 -13.980 1.00 0.00 C ATOM 1527 O SER B 35 7.211 -3.300 -14.812 1.00 0.00 O ATOM 1528 CB SER B 35 9.066 -1.250 -14.095 1.00 0.00 C ATOM 1529 OG SER B 35 10.257 -0.482 -14.140 1.00 0.00 O ATOM 0 H SER B 35 10.001 -2.945 -15.930 1.00 0.00 H new ATOM 0 HA SER B 35 9.858 -2.905 -12.973 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.491 -1.090 -15.007 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.445 -0.916 -13.264 1.00 0.00 H new ATOM 0 HG SER B 35 10.031 0.466 -14.242 1.00 0.00 H new ATOM 1535 N ASP B 36 7.970 -4.517 -13.078 1.00 0.00 N ATOM 1536 CA ASP B 36 6.784 -5.362 -13.010 1.00 0.00 C ATOM 1537 C ASP B 36 5.707 -4.718 -12.143 1.00 0.00 C ATOM 1538 O ASP B 36 5.961 -4.335 -11.001 1.00 0.00 O ATOM 1539 CB ASP B 36 7.146 -6.741 -12.456 1.00 0.00 C ATOM 1540 CG ASP B 36 7.072 -7.827 -13.511 1.00 0.00 C ATOM 1541 OD1 ASP B 36 7.376 -7.533 -14.686 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.709 -8.970 -13.163 1.00 0.00 O ATOM 0 H ASP B 36 8.685 -4.736 -12.384 1.00 0.00 H new ATOM 0 HA ASP B 36 6.391 -5.477 -14.020 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.154 -6.710 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.472 -6.988 -11.636 1.00 0.00 H new ATOM 1547 N VAL B 37 4.503 -4.601 -12.694 1.00 0.00 N ATOM 1548 CA VAL B 37 3.386 -4.004 -11.971 1.00 0.00 C ATOM 1549 C VAL B 37 2.472 -5.075 -11.389 1.00 0.00 C ATOM 1550 O VAL B 37 1.902 -5.885 -12.121 1.00 0.00 O ATOM 1551 CB VAL B 37 2.558 -3.078 -12.883 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.601 -2.232 -12.057 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.474 -2.199 -13.720 1.00 0.00 C ATOM 0 H VAL B 37 4.276 -4.912 -13.639 1.00 0.00 H new ATOM 0 HA VAL B 37 3.813 -3.415 -11.159 1.00 0.00 H new ATOM 0 HB VAL B 37 1.967 -3.695 -13.559 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.025 -1.584 -12.718 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.923 -2.883 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.169 -1.621 -11.355 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.873 -1.551 -14.358 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.092 -1.588 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.114 -2.827 -14.340 1.00 0.00 H new ATOM 1563 N TRP B 38 2.336 -5.075 -10.068 1.00 0.00 N ATOM 1564 CA TRP B 38 1.489 -6.048 -9.386 1.00 0.00 C ATOM 1565 C TRP B 38 0.506 -5.353 -8.451 1.00 0.00 C ATOM 1566 O TRP B 38 0.849 -4.371 -7.791 1.00 0.00 O ATOM 1567 CB TRP B 38 2.348 -7.038 -8.599 1.00 0.00 C ATOM 1568 CG TRP B 38 3.693 -6.493 -8.226 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.671 -6.069 -9.080 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.210 -6.316 -6.903 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.764 -5.638 -8.367 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.506 -5.779 -7.029 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.703 -6.556 -5.623 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.299 -5.481 -5.925 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.492 -6.260 -4.527 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.778 -5.726 -4.684 1.00 0.00 C ATOM 0 H TRP B 38 2.801 -4.412 -9.447 1.00 0.00 H new ATOM 0 HA TRP B 38 0.921 -6.591 -10.141 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.817 -7.327 -7.692 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.482 -7.943 -9.192 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.596 -6.072 -10.157 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.627 -5.272 -8.769 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.712 -6.966 -5.492 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.291 -5.071 -6.044 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.111 -6.443 -3.533 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.369 -5.503 -3.808 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.718 -5.867 -8.398 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.752 -5.296 -7.542 1.00 0.00 C ATOM 1589 C LEU B 39 -2.118 -6.256 -6.415 1.00 0.00 C ATOM 1590 O LEU B 39 -1.975 -7.471 -6.550 1.00 0.00 O ATOM 1591 CB LEU B 39 -2.996 -4.961 -8.366 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.239 -4.558 -7.572 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.004 -3.245 -6.841 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.447 -4.450 -8.490 1.00 0.00 C ATOM 0 H LEU B 39 -1.019 -6.678 -8.938 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.358 -4.380 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.747 -4.149 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.246 -5.827 -8.978 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.439 -5.332 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.900 -2.975 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.166 -3.357 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.778 -2.461 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.322 -4.162 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.257 -3.697 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.629 -5.413 -8.967 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.592 -5.702 -5.304 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.983 -6.510 -4.155 1.00 0.00 C ATOM 1608 C ALA B 40 -4.500 -6.636 -4.063 1.00 0.00 C ATOM 1609 O ALA B 40 -5.020 -7.624 -3.543 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.423 -5.910 -2.873 1.00 0.00 C ATOM 0 H ALA B 40 -2.715 -4.698 -5.175 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.569 -7.510 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.723 -6.523 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.335 -5.877 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.810 -4.899 -2.745 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.204 -5.631 -4.570 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.662 -5.630 -4.545 1.00 0.00 C ATOM 1618 C ASP B 41 -7.228 -6.270 -5.809 1.00 0.00 C ATOM 1619 O ASP B 41 -7.484 -5.588 -6.800 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.191 -4.201 -4.403 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.649 -4.162 -3.990 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.241 -5.245 -3.799 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.199 -3.048 -3.859 1.00 0.00 O ATOM 0 H ASP B 41 -4.789 -4.806 -5.003 1.00 0.00 H new ATOM 0 HA ASP B 41 -6.985 -6.217 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.593 -3.667 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.071 -3.676 -5.351 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.417 -7.585 -5.766 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.950 -8.317 -6.910 1.00 0.00 C ATOM 1630 C GLU B 42 -9.210 -7.644 -7.448 1.00 0.00 C ATOM 1631 O GLU B 42 -9.381 -7.501 -8.658 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.260 -9.764 -6.518 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.052 -10.526 -6.000 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.414 -11.895 -5.458 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -7.995 -12.699 -6.217 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -7.115 -12.163 -4.276 1.00 0.00 O ATOM 0 H GLU B 42 -7.209 -8.165 -4.953 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.194 -8.314 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -9.036 -9.766 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.665 -10.287 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.326 -10.639 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.570 -9.944 -5.214 1.00 0.00 H new ATOM 1643 N SER B 43 -10.088 -7.233 -6.539 1.00 0.00 N ATOM 1644 CA SER B 43 -11.334 -6.579 -6.921 1.00 0.00 C ATOM 1645 C SER B 43 -11.062 -5.370 -7.811 1.00 0.00 C ATOM 1646 O SER B 43 -11.848 -5.054 -8.704 1.00 0.00 O ATOM 1647 CB SER B 43 -12.110 -6.146 -5.676 1.00 0.00 C ATOM 1648 OG SER B 43 -11.910 -7.055 -4.608 1.00 0.00 O ATOM 0 H SER B 43 -9.960 -7.341 -5.533 1.00 0.00 H new ATOM 0 HA SER B 43 -11.934 -7.295 -7.483 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.791 -5.149 -5.373 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.173 -6.083 -5.910 1.00 0.00 H new ATOM 0 HG SER B 43 -12.415 -6.755 -3.824 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.943 -4.698 -7.560 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.567 -3.523 -8.338 1.00 0.00 C ATOM 1656 C GLN B 44 -8.754 -3.921 -9.566 1.00 0.00 C ATOM 1657 O GLN B 44 -8.557 -3.118 -10.478 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.764 -2.549 -7.474 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.408 -1.179 -7.343 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.824 -1.248 -6.806 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.038 -1.331 -5.597 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.801 -1.213 -7.706 1.00 0.00 N ATOM 0 H GLN B 44 -9.281 -4.947 -6.825 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.481 -3.032 -8.673 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.637 -2.978 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.768 -2.434 -7.901 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -8.803 -0.559 -6.682 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.417 -0.691 -8.318 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.578 -1.144 -8.699 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.774 -1.255 -7.404 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.285 -5.164 -9.582 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.495 -5.668 -10.699 1.00 0.00 C ATOM 1673 C ALA B 45 -8.207 -5.430 -12.026 1.00 0.00 C ATOM 1674 O ALA B 45 -7.568 -5.175 -13.046 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.204 -7.149 -10.513 1.00 0.00 C ATOM 0 H ALA B 45 -8.438 -5.841 -8.834 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.551 -5.123 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.614 -7.512 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.647 -7.297 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.143 -7.701 -10.464 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.534 -5.515 -12.005 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.331 -5.310 -13.208 1.00 0.00 C ATOM 1683 C GLU B 46 -10.266 -3.855 -13.663 1.00 0.00 C ATOM 1684 O GLU B 46 -10.037 -3.570 -14.838 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.786 -5.713 -12.958 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.963 -7.189 -12.642 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.420 -7.608 -12.609 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.291 -6.717 -12.525 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.689 -8.826 -12.668 1.00 0.00 O ATOM 0 H GLU B 46 -10.079 -5.724 -11.168 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.918 -5.938 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.181 -5.123 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.379 -5.465 -13.838 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.435 -7.782 -13.389 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.504 -7.408 -11.678 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.471 -2.938 -12.723 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.437 -1.512 -13.026 1.00 0.00 C ATOM 1698 C ARG B 47 -9.087 -1.113 -13.613 1.00 0.00 C ATOM 1699 O ARG B 47 -9.018 -0.483 -14.668 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.720 -0.694 -11.764 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.563 0.805 -11.963 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.201 1.290 -11.493 1.00 0.00 C ATOM 1703 NE ARG B 47 -8.910 2.642 -11.961 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.526 3.726 -11.505 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.463 3.617 -10.573 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.206 4.923 -11.980 1.00 0.00 N ATOM 0 H ARG B 47 -10.662 -3.157 -11.745 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.210 -1.304 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.735 -0.903 -11.426 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.046 -1.019 -10.971 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.693 1.049 -13.017 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.346 1.330 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.164 1.268 -10.404 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.430 0.608 -11.852 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.194 2.760 -12.678 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.712 2.699 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -10.935 4.451 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.486 5.011 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -9.680 5.755 -11.628 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.014 -1.482 -12.920 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.665 -1.163 -13.372 1.00 0.00 C ATOM 1722 C VAL B 48 -6.383 -1.778 -14.738 1.00 0.00 C ATOM 1723 O VAL B 48 -5.752 -1.156 -15.593 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.605 -1.659 -12.370 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.706 -0.889 -11.062 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.755 -3.154 -12.132 1.00 0.00 C ATOM 0 H VAL B 48 -8.053 -2.002 -12.043 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.605 -0.077 -13.446 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.617 -1.480 -12.794 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.950 -1.253 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.545 0.172 -11.251 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.696 -1.034 -10.630 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.998 -3.487 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.747 -3.361 -11.729 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.628 -3.687 -13.074 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.856 -3.004 -14.938 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.654 -3.705 -16.201 1.00 0.00 C ATOM 1738 C ARG B 49 -7.223 -2.900 -17.366 1.00 0.00 C ATOM 1739 O ARG B 49 -6.538 -2.656 -18.358 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.310 -5.086 -16.153 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.351 -6.203 -15.774 1.00 0.00 C ATOM 1742 CD ARG B 49 -7.064 -7.323 -15.033 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.969 -8.596 -15.743 1.00 0.00 N ATOM 1744 CZ ARG B 49 -5.923 -9.410 -15.655 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -4.889 -9.086 -14.892 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -5.911 -10.551 -16.332 1.00 0.00 N ATOM 0 H ARG B 49 -7.382 -3.532 -14.242 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.581 -3.825 -16.354 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.131 -5.064 -15.436 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.744 -5.307 -17.128 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.882 -6.602 -16.673 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.553 -5.802 -15.149 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.634 -7.430 -14.037 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.113 -7.059 -14.900 1.00 0.00 H new ATOM 0 HE ARG B 49 -7.748 -8.875 -16.339 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -4.895 -8.210 -14.370 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -4.087 -9.713 -14.826 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -6.705 -10.803 -16.920 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -5.108 -11.176 -16.264 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.482 -2.492 -17.237 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.142 -1.714 -18.278 1.00 0.00 C ATOM 1762 C ALA B 50 -8.438 -0.379 -18.496 1.00 0.00 C ATOM 1763 O ALA B 50 -7.971 -0.086 -19.596 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.604 -1.490 -17.921 1.00 0.00 C ATOM 0 H ALA B 50 -9.064 -2.687 -16.423 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.088 -2.279 -19.209 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.085 -0.908 -18.707 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.106 -2.452 -17.823 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.669 -0.949 -16.977 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.367 0.427 -17.440 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.721 1.732 -17.519 1.00 0.00 C ATOM 1772 C GLU B 51 -6.319 1.610 -18.109 1.00 0.00 C ATOM 1773 O GLU B 51 -5.931 2.388 -18.982 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.649 2.373 -16.131 1.00 0.00 C ATOM 1775 CG GLU B 51 -9.010 2.642 -15.513 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.026 3.129 -16.527 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.864 4.258 -17.035 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -10.983 2.380 -16.814 1.00 0.00 O ATOM 0 H GLU B 51 -8.748 0.199 -16.522 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.318 2.366 -18.174 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.081 1.721 -15.468 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.100 3.312 -16.202 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.379 1.729 -15.045 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.905 3.386 -14.723 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.564 0.630 -17.627 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.204 0.406 -18.105 1.00 0.00 C ATOM 1787 C LEU B 52 -4.183 0.225 -19.620 1.00 0.00 C ATOM 1788 O LEU B 52 -3.490 0.951 -20.332 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.599 -0.823 -17.425 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.183 -1.202 -17.859 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.237 -1.188 -16.668 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.178 -2.568 -18.530 1.00 0.00 C ATOM 0 H LEU B 52 -5.870 -0.023 -16.905 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.608 1.283 -17.853 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.594 -0.652 -16.349 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.254 -1.675 -17.609 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.836 -0.463 -18.581 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.234 -1.460 -16.997 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.217 -0.190 -16.231 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.581 -1.904 -15.922 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.162 -2.821 -18.832 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.546 -3.318 -17.830 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.823 -2.544 -19.409 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.948 -0.747 -20.105 1.00 0.00 N ATOM 1805 CA ALA B 53 -5.021 -1.021 -21.535 1.00 0.00 C ATOM 1806 C ALA B 53 -5.400 0.233 -22.315 1.00 0.00 C ATOM 1807 O ALA B 53 -4.934 0.443 -23.435 1.00 0.00 O ATOM 1808 CB ALA B 53 -6.018 -2.137 -21.809 1.00 0.00 C ATOM 0 H ALA B 53 -5.526 -1.358 -19.529 1.00 0.00 H new ATOM 0 HA ALA B 53 -4.034 -1.341 -21.869 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.062 -2.331 -22.881 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.703 -3.042 -21.289 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -7.004 -1.839 -21.453 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.248 1.063 -21.717 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.692 2.295 -22.357 1.00 0.00 C ATOM 1816 C ARG B 54 -5.601 3.361 -22.298 1.00 0.00 C ATOM 1817 O ARG B 54 -5.572 4.280 -23.117 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.964 2.815 -21.686 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.181 1.935 -21.923 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.328 2.310 -20.998 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.620 1.877 -21.525 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.202 2.425 -22.586 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -11.610 3.422 -23.230 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.378 1.975 -23.005 1.00 0.00 N ATOM 0 H ARG B 54 -6.642 0.904 -20.789 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.906 2.075 -23.403 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.790 2.899 -20.613 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.175 3.819 -22.055 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.503 2.029 -22.960 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.912 0.890 -21.766 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.166 1.859 -20.019 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.339 3.390 -20.854 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.102 1.112 -21.052 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.706 3.770 -22.911 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.059 3.841 -24.044 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.836 1.208 -22.512 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.824 2.396 -23.820 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.706 3.232 -21.325 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.615 4.184 -21.158 1.00 0.00 C ATOM 1840 C PHE B 55 -2.425 3.807 -22.035 1.00 0.00 C ATOM 1841 O PHE B 55 -1.745 4.674 -22.586 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.183 4.245 -19.691 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.473 5.518 -19.328 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.041 6.749 -19.614 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.238 5.483 -18.700 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.389 7.922 -19.281 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.583 6.653 -18.364 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.159 7.874 -18.655 1.00 0.00 C ATOM 0 H PHE B 55 -4.715 2.477 -20.640 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.973 5.167 -21.465 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.063 4.135 -19.057 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.529 3.400 -19.478 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.003 6.793 -20.102 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.782 4.531 -18.471 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.842 8.875 -19.510 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.379 6.612 -17.874 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.649 8.789 -18.394 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.179 2.507 -22.161 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.070 2.013 -22.971 1.00 0.00 C ATOM 1860 C LEU B 56 -1.176 2.521 -24.405 1.00 0.00 C ATOM 1861 O LEU B 56 -0.169 2.844 -25.035 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.046 0.484 -22.959 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.272 -0.166 -21.812 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.388 -1.681 -21.880 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.189 0.261 -21.845 1.00 0.00 C ATOM 0 H LEU B 56 -2.732 1.776 -21.713 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.141 2.388 -22.540 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.075 0.125 -22.926 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.618 0.140 -23.901 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.707 0.169 -20.870 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.169 -2.126 -21.056 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.437 -1.969 -21.807 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.020 -2.035 -22.827 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.725 -0.211 -21.021 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.636 -0.044 -22.791 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.254 1.345 -21.746 1.00 0.00 H new ATOM 1877 N GLU B 57 -2.402 2.589 -24.915 1.00 0.00 N ATOM 1878 CA GLU B 57 -2.638 3.058 -26.275 1.00 0.00 C ATOM 1879 C GLU B 57 -2.566 4.581 -26.345 1.00 0.00 C ATOM 1880 O GLU B 57 -2.694 5.170 -27.417 1.00 0.00 O ATOM 1881 CB GLU B 57 -4.003 2.578 -26.774 1.00 0.00 C ATOM 1882 CG GLU B 57 -5.171 3.357 -26.193 1.00 0.00 C ATOM 1883 CD GLU B 57 -6.514 2.829 -26.661 1.00 0.00 C ATOM 1884 OE1 GLU B 57 -6.555 1.699 -27.190 1.00 0.00 O ATOM 1885 OE2 GLU B 57 -7.523 3.547 -26.500 1.00 0.00 O ATOM 0 H GLU B 57 -3.246 2.325 -24.407 1.00 0.00 H new ATOM 0 HA GLU B 57 -1.859 2.644 -26.915 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -4.031 2.655 -27.861 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -4.121 1.523 -26.526 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -5.127 3.313 -25.105 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -5.079 4.406 -26.474 1.00 0.00 H new ATOM 1892 N ASN B 58 -2.359 5.212 -25.193 1.00 0.00 N ATOM 1893 CA ASN B 58 -2.270 6.665 -25.123 1.00 0.00 C ATOM 1894 C ASN B 58 -0.868 7.106 -24.715 1.00 0.00 C ATOM 1895 O ASN B 58 -0.637 7.572 -23.599 1.00 0.00 O ATOM 1896 CB ASN B 58 -3.298 7.213 -24.131 1.00 0.00 C ATOM 1897 CG ASN B 58 -4.695 7.271 -24.718 1.00 0.00 C ATOM 1898 OD1 ASN B 58 -4.921 6.852 -25.854 1.00 0.00 O ATOM 1899 ND2 ASN B 58 -5.640 7.793 -23.945 1.00 0.00 N ATOM 0 H ASN B 58 -2.250 4.739 -24.296 1.00 0.00 H new ATOM 0 HA ASN B 58 -2.483 7.065 -26.115 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -3.308 6.587 -23.239 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -2.998 8.212 -23.816 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -6.599 7.859 -24.286 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -5.407 8.128 -23.010 1.00 0.00 H new ATOM 1906 N PRO B 59 0.092 6.955 -25.639 1.00 0.00 N ATOM 1907 CA PRO B 59 1.488 7.332 -25.399 1.00 0.00 C ATOM 1908 C PRO B 59 1.674 8.843 -25.311 1.00 0.00 C ATOM 1909 O PRO B 59 1.819 9.521 -26.328 1.00 0.00 O ATOM 1910 CB PRO B 59 2.222 6.774 -26.621 1.00 0.00 C ATOM 1911 CG PRO B 59 1.185 6.711 -27.689 1.00 0.00 C ATOM 1912 CD PRO B 59 -0.111 6.406 -26.990 1.00 0.00 C ATOM 0 HA PRO B 59 1.857 6.944 -24.449 1.00 0.00 H new ATOM 0 HB2 PRO B 59 3.052 7.418 -26.912 1.00 0.00 H new ATOM 0 HB3 PRO B 59 2.640 5.788 -26.416 1.00 0.00 H new ATOM 0 HG2 PRO B 59 1.124 7.655 -28.230 1.00 0.00 H new ATOM 0 HG3 PRO B 59 1.425 5.940 -28.421 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.958 6.875 -27.491 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -0.310 5.335 -26.963 1.00 0.00 H new ATOM 1920 N ALA B 60 1.668 9.365 -24.089 1.00 0.00 N ATOM 1921 CA ALA B 60 1.838 10.796 -23.869 1.00 0.00 C ATOM 1922 C ALA B 60 2.363 11.076 -22.464 1.00 0.00 C ATOM 1923 O ALA B 60 3.336 11.810 -22.290 1.00 0.00 O ATOM 1924 CB ALA B 60 0.523 11.525 -24.098 1.00 0.00 C ATOM 0 H ALA B 60 1.547 8.818 -23.236 1.00 0.00 H new ATOM 0 HA ALA B 60 2.574 11.164 -24.584 1.00 0.00 H new ATOM 0 HB1 ALA B 60 0.665 12.593 -23.930 1.00 0.00 H new ATOM 0 HB2 ALA B 60 0.189 11.360 -25.122 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -0.229 11.146 -23.406 1.00 0.00 H new ATOM 1930 N ASP B 61 1.712 10.489 -21.466 1.00 0.00 N ATOM 1931 CA ASP B 61 2.113 10.676 -20.077 1.00 0.00 C ATOM 1932 C ASP B 61 3.024 9.541 -19.617 1.00 0.00 C ATOM 1933 O ASP B 61 4.162 9.773 -19.207 1.00 0.00 O ATOM 1934 CB ASP B 61 0.881 10.755 -19.174 1.00 0.00 C ATOM 1935 CG ASP B 61 0.715 12.121 -18.539 1.00 0.00 C ATOM 1936 OD1 ASP B 61 1.742 12.749 -18.207 1.00 0.00 O ATOM 1937 OD2 ASP B 61 -0.442 12.562 -18.372 1.00 0.00 O ATOM 0 H ASP B 61 0.904 9.880 -21.593 1.00 0.00 H new ATOM 0 HA ASP B 61 2.666 11.613 -20.007 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -0.009 10.518 -19.757 1.00 0.00 H new ATOM 0 HB3 ASP B 61 0.959 10.001 -18.391 1.00 0.00 H new ATOM 1942 N LEU B 62 2.515 8.316 -19.688 1.00 0.00 N ATOM 1943 CA LEU B 62 3.283 7.145 -19.278 1.00 0.00 C ATOM 1944 C LEU B 62 4.680 7.168 -19.889 1.00 0.00 C ATOM 1945 O LEU B 62 5.653 6.769 -19.250 1.00 0.00 O ATOM 1946 CB LEU B 62 2.555 5.864 -19.691 1.00 0.00 C ATOM 1947 CG LEU B 62 1.970 5.850 -21.103 1.00 0.00 C ATOM 1948 CD1 LEU B 62 3.010 5.374 -22.106 1.00 0.00 C ATOM 1949 CD2 LEU B 62 0.731 4.969 -21.159 1.00 0.00 C ATOM 0 H LEU B 62 1.575 8.108 -20.025 1.00 0.00 H new ATOM 0 HA LEU B 62 3.381 7.167 -18.193 1.00 0.00 H new ATOM 0 HB2 LEU B 62 3.250 5.029 -19.599 1.00 0.00 H new ATOM 0 HB3 LEU B 62 1.746 5.685 -18.982 1.00 0.00 H new ATOM 0 HG LEU B 62 1.680 6.867 -21.365 1.00 0.00 H new ATOM 0 HD11 LEU B 62 2.576 5.370 -23.106 1.00 0.00 H new ATOM 0 HD12 LEU B 62 3.869 6.045 -22.086 1.00 0.00 H new ATOM 0 HD13 LEU B 62 3.331 4.365 -21.846 1.00 0.00 H new ATOM 0 HD21 LEU B 62 0.328 4.971 -22.172 1.00 0.00 H new ATOM 0 HD22 LEU B 62 0.996 3.950 -20.876 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -0.020 5.353 -20.469 1.00 0.00 H new ATOM 1961 N GLU B 63 4.771 7.641 -21.128 1.00 0.00 N ATOM 1962 CA GLU B 63 6.051 7.718 -21.823 1.00 0.00 C ATOM 1963 C GLU B 63 6.824 8.966 -21.405 1.00 0.00 C ATOM 1964 O GLU B 63 7.717 9.422 -22.117 1.00 0.00 O ATOM 1965 CB GLU B 63 5.833 7.724 -23.338 1.00 0.00 C ATOM 1966 CG GLU B 63 4.782 8.719 -23.798 1.00 0.00 C ATOM 1967 CD GLU B 63 5.282 9.626 -24.906 1.00 0.00 C ATOM 1968 OE1 GLU B 63 6.026 9.138 -25.782 1.00 0.00 O ATOM 1969 OE2 GLU B 63 4.929 10.823 -24.897 1.00 0.00 O ATOM 0 H GLU B 63 3.975 7.976 -21.671 1.00 0.00 H new ATOM 0 HA GLU B 63 6.637 6.841 -21.550 1.00 0.00 H new ATOM 0 HB2 GLU B 63 6.778 7.952 -23.831 1.00 0.00 H new ATOM 0 HB3 GLU B 63 5.539 6.724 -23.658 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.902 8.178 -24.146 1.00 0.00 H new ATOM 0 HG3 GLU B 63 4.467 9.327 -22.950 1.00 0.00 H new TER 1976 GLU B 63