USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 -89:sc= 0.177 USER MOD Set 1.2: B 20 MET CE :methyl 151:sc= -1.98 (180deg=-2.83) USER MOD Set 2.1: A 19 TYR OH : rot -89:sc= -0.338 USER MOD Set 2.2: A 20 MET CE :methyl 155:sc= -2.66 (180deg=-3.68!) USER MOD Set 3.1: A 1 MET CE :methyl 143:sc= -3.24 (180deg=-5.35!) USER MOD Set 3.2: A 28 THR OG1 : rot 72:sc= 0.29 USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00911 (180deg=-0.259) USER MOD Single : A 3 MET CE :methyl -149:sc= -2.23 (180deg=-4.15!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 6 SER OG : rot 44:sc=0.000838 USER MOD Single : A 9 ASN : amide:sc= -0.867 K(o=-0.87,f=-5.1!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 22 THR OG1 : rot -32:sc= 0.321 USER MOD Single : A 23 GLN : amide:sc= -0.225 K(o=-0.23,f=-6.4!) 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 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 44 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.3!) USER MOD Single : B 1 MET CE :methyl 145:sc= -4.21! (180deg=-6.25!) USER MOD Single : B 1 MET N :NH3+ -158:sc=-0.00152 (180deg=-0.217) USER MOD Single : B 3 MET CE :methyl -106:sc= -5.06 (180deg=-12.6!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.849 K(o=-0.85,f=-5.3!) USER MOD Single : B 14 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.028) USER MOD Single : B 22 THR OG1 : rot -26:sc= 0.152 USER MOD Single : B 23 GLN : amide:sc= -0.603 K(o=-0.6,f=-3.8!) USER MOD Single : B 28 THR OG1 : rot 70:sc= 0.816 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 35 SER OG : rot 180:sc= 0 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0658 USER MOD Single : B 44 GLN : amide:sc= -2.47 K(o=-2.5,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.922 -10.728 -3.877 1.00 0.00 N ATOM 2 CA MET A 1 -1.288 -9.884 -4.883 1.00 0.00 C ATOM 3 C MET A 1 -1.423 -10.501 -6.272 1.00 0.00 C ATOM 4 O MET A 1 -1.018 -11.642 -6.499 1.00 0.00 O ATOM 5 CB MET A 1 0.190 -9.675 -4.547 1.00 0.00 C ATOM 6 CG MET A 1 0.420 -9.055 -3.178 1.00 0.00 C ATOM 7 SD MET A 1 1.522 -7.630 -3.238 1.00 0.00 S ATOM 8 CE MET A 1 0.586 -6.521 -4.288 1.00 0.00 C ATOM 0 H1 MET A 1 -2.153 -10.156 -3.040 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.794 -11.138 -4.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.271 -11.492 -3.605 1.00 0.00 H new ATOM 0 HA MET A 1 -1.793 -8.918 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.704 -10.635 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.640 -9.036 -5.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.538 -8.751 -2.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.840 -9.806 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.711 -5.496 -3.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.946 -6.600 -5.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.470 -6.791 -4.252 1.00 0.00 H new ATOM 18 N LEU A 2 -1.994 -9.739 -7.199 1.00 0.00 N ATOM 19 CA LEU A 2 -2.183 -10.211 -8.567 1.00 0.00 C ATOM 20 C LEU A 2 -1.449 -9.314 -9.558 1.00 0.00 C ATOM 21 O LEU A 2 -1.670 -8.104 -9.598 1.00 0.00 O ATOM 22 CB LEU A 2 -3.673 -10.257 -8.910 1.00 0.00 C ATOM 23 CG LEU A 2 -4.016 -10.506 -10.379 1.00 0.00 C ATOM 24 CD1 LEU A 2 -3.506 -11.868 -10.823 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.517 -10.398 -10.602 1.00 0.00 C ATOM 0 H LEU A 2 -2.334 -8.793 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.769 -11.217 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.139 -11.039 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.124 -9.312 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.524 -9.743 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.759 -12.027 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.424 -11.909 -10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.969 -12.646 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.743 -10.578 -11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.030 -11.139 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.855 -9.400 -10.324 1.00 0.00 H new ATOM 37 N MET A 3 -0.575 -9.916 -10.358 1.00 0.00 N ATOM 38 CA MET A 3 0.190 -9.172 -11.352 1.00 0.00 C ATOM 39 C MET A 3 -0.739 -8.433 -12.311 1.00 0.00 C ATOM 40 O MET A 3 -1.675 -9.018 -12.857 1.00 0.00 O ATOM 41 CB MET A 3 1.103 -10.117 -12.136 1.00 0.00 C ATOM 42 CG MET A 3 2.484 -9.541 -12.407 1.00 0.00 C ATOM 43 SD MET A 3 3.331 -10.377 -13.761 1.00 0.00 S ATOM 44 CE MET A 3 3.644 -9.001 -14.865 1.00 0.00 C ATOM 0 H MET A 3 -0.379 -10.917 -10.337 1.00 0.00 H new ATOM 0 HA MET A 3 0.802 -8.438 -10.828 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.209 -11.049 -11.582 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.628 -10.363 -13.086 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.392 -8.480 -12.641 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.089 -9.617 -11.503 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.634 -9.353 -15.897 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.870 -8.245 -14.732 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.618 -8.567 -14.639 1.00 0.00 H new ATOM 54 N ILE A 4 -0.474 -7.146 -12.509 1.00 0.00 N ATOM 55 CA ILE A 4 -1.286 -6.329 -13.402 1.00 0.00 C ATOM 56 C ILE A 4 -0.705 -6.312 -14.812 1.00 0.00 C ATOM 57 O ILE A 4 -1.428 -6.474 -15.796 1.00 0.00 O ATOM 58 CB ILE A 4 -1.403 -4.881 -12.890 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.146 -4.849 -11.553 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.111 -4.011 -13.917 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.479 -5.563 -11.585 1.00 0.00 C ATOM 0 H ILE A 4 0.296 -6.647 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.279 -6.779 -13.426 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.400 -4.483 -12.737 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.518 -5.303 -10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.306 -3.811 -11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.186 -2.991 -13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.545 -4.013 -14.848 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.111 -4.404 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.949 -5.500 -10.604 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.125 -5.095 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.325 -6.610 -11.847 1.00 0.00 H new ATOM 73 N THR A 5 0.606 -6.116 -14.904 1.00 0.00 N ATOM 74 CA THR A 5 1.285 -6.079 -16.193 1.00 0.00 C ATOM 75 C THR A 5 2.795 -5.961 -16.016 1.00 0.00 C ATOM 76 O THR A 5 3.304 -6.005 -14.896 1.00 0.00 O ATOM 77 CB THR A 5 0.788 -4.904 -17.056 1.00 0.00 C ATOM 78 OG1 THR A 5 1.186 -5.093 -18.418 1.00 0.00 O ATOM 79 CG2 THR A 5 1.339 -3.583 -16.540 1.00 0.00 C ATOM 0 H THR A 5 1.219 -5.980 -14.100 1.00 0.00 H new ATOM 0 HA THR A 5 1.053 -7.016 -16.699 1.00 0.00 H new ATOM 0 HB THR A 5 -0.300 -4.874 -16.997 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.864 -4.342 -18.960 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.975 -2.768 -17.165 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.009 -3.428 -15.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.428 -3.606 -16.572 1.00 0.00 H new ATOM 87 N SER A 6 3.506 -5.811 -17.129 1.00 0.00 N ATOM 88 CA SER A 6 4.959 -5.690 -17.096 1.00 0.00 C ATOM 89 C SER A 6 5.430 -4.555 -18.000 1.00 0.00 C ATOM 90 O SER A 6 5.078 -4.496 -19.178 1.00 0.00 O ATOM 91 CB SER A 6 5.611 -7.005 -17.529 1.00 0.00 C ATOM 92 OG SER A 6 4.941 -7.563 -18.645 1.00 0.00 O ATOM 0 H SER A 6 3.100 -5.770 -18.064 1.00 0.00 H new ATOM 0 HA SER A 6 5.257 -5.464 -16.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.657 -6.831 -17.779 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.595 -7.713 -16.700 1.00 0.00 H new ATOM 0 HG SER A 6 4.745 -6.857 -19.296 1.00 0.00 H new ATOM 98 N PHE A 7 6.229 -3.653 -17.439 1.00 0.00 N ATOM 99 CA PHE A 7 6.749 -2.518 -18.192 1.00 0.00 C ATOM 100 C PHE A 7 8.267 -2.600 -18.323 1.00 0.00 C ATOM 101 O PHE A 7 8.925 -3.332 -17.585 1.00 0.00 O ATOM 102 CB PHE A 7 6.355 -1.205 -17.513 1.00 0.00 C ATOM 103 CG PHE A 7 4.889 -0.894 -17.613 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.204 -1.097 -18.800 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.196 -0.399 -16.520 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.855 -0.811 -18.895 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.847 -0.112 -16.609 1.00 0.00 C ATOM 108 CZ PHE A 7 2.175 -0.319 -17.798 1.00 0.00 C ATOM 0 H PHE A 7 6.530 -3.686 -16.465 1.00 0.00 H new ATOM 0 HA PHE A 7 6.314 -2.548 -19.191 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.638 -1.250 -16.461 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.923 -0.389 -17.961 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.730 -1.483 -19.661 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.716 -0.236 -15.588 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.333 -0.972 -19.827 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.319 0.274 -15.750 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.121 -0.097 -17.870 1.00 0.00 H new ATOM 118 N ALA A 8 8.815 -1.845 -19.269 1.00 0.00 N ATOM 119 CA ALA A 8 10.255 -1.831 -19.497 1.00 0.00 C ATOM 120 C ALA A 8 10.826 -0.429 -19.315 1.00 0.00 C ATOM 121 O ALA A 8 11.704 -0.004 -20.064 1.00 0.00 O ATOM 122 CB ALA A 8 10.574 -2.357 -20.888 1.00 0.00 C ATOM 0 H ALA A 8 8.284 -1.235 -19.890 1.00 0.00 H new ATOM 0 HA ALA A 8 10.721 -2.483 -18.759 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.653 -2.341 -21.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.209 -3.380 -20.983 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.090 -1.728 -21.635 1.00 0.00 H new ATOM 128 N ASN A 9 10.320 0.286 -18.315 1.00 0.00 N ATOM 129 CA ASN A 9 10.780 1.642 -18.036 1.00 0.00 C ATOM 130 C ASN A 9 10.294 2.110 -16.667 1.00 0.00 C ATOM 131 O ASN A 9 9.169 1.833 -16.253 1.00 0.00 O ATOM 132 CB ASN A 9 10.288 2.602 -19.120 1.00 0.00 C ATOM 133 CG ASN A 9 11.401 3.044 -20.050 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.554 3.172 -19.639 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.060 3.278 -21.312 1.00 0.00 N ATOM 0 H ASN A 9 9.592 -0.051 -17.685 1.00 0.00 H new ATOM 0 HA ASN A 9 11.870 1.636 -18.032 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.503 2.118 -19.701 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.842 3.478 -18.650 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.767 3.577 -21.984 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.092 3.159 -21.609 1.00 0.00 H new ATOM 142 N PRO A 10 11.162 2.837 -15.949 1.00 0.00 N ATOM 143 CA PRO A 10 10.844 3.360 -14.617 1.00 0.00 C ATOM 144 C PRO A 10 9.801 4.472 -14.664 1.00 0.00 C ATOM 145 O PRO A 10 8.824 4.452 -13.916 1.00 0.00 O ATOM 146 CB PRO A 10 12.185 3.906 -14.120 1.00 0.00 C ATOM 147 CG PRO A 10 12.947 4.224 -15.360 1.00 0.00 C ATOM 148 CD PRO A 10 12.521 3.205 -16.381 1.00 0.00 C ATOM 0 HA PRO A 10 10.414 2.594 -13.971 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.047 4.793 -13.502 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.710 3.171 -13.510 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.729 5.235 -15.703 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.021 4.173 -15.182 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.524 3.620 -17.389 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.187 2.342 -16.390 1.00 0.00 H new ATOM 156 N ARG A 11 10.015 5.440 -15.549 1.00 0.00 N ATOM 157 CA ARG A 11 9.094 6.560 -15.694 1.00 0.00 C ATOM 158 C ARG A 11 7.662 6.066 -15.881 1.00 0.00 C ATOM 159 O ARG A 11 6.747 6.505 -15.184 1.00 0.00 O ATOM 160 CB ARG A 11 9.502 7.434 -16.881 1.00 0.00 C ATOM 161 CG ARG A 11 10.982 7.780 -16.903 1.00 0.00 C ATOM 162 CD ARG A 11 11.262 8.979 -17.795 1.00 0.00 C ATOM 163 NE ARG A 11 11.155 10.240 -17.066 1.00 0.00 N ATOM 164 CZ ARG A 11 12.137 10.748 -16.329 1.00 0.00 C ATOM 165 NH1 ARG A 11 13.292 10.105 -16.224 1.00 0.00 N ATOM 166 NH2 ARG A 11 11.964 11.901 -15.695 1.00 0.00 N ATOM 0 H ARG A 11 10.819 5.471 -16.176 1.00 0.00 H new ATOM 0 HA ARG A 11 9.139 7.155 -14.782 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.244 6.919 -17.806 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.922 8.357 -16.858 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.322 7.992 -15.889 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.552 6.921 -17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.262 8.889 -18.220 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.561 8.982 -18.629 1.00 0.00 H new ATOM 0 HE ARG A 11 10.279 10.759 -17.126 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.428 9.218 -16.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.044 10.497 -15.658 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.077 12.398 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.718 12.290 -15.129 1.00 0.00 H new ATOM 180 N VAL A 12 7.476 5.151 -16.827 1.00 0.00 N ATOM 181 CA VAL A 12 6.157 4.597 -17.106 1.00 0.00 C ATOM 182 C VAL A 12 5.576 3.913 -15.873 1.00 0.00 C ATOM 183 O VAL A 12 4.445 4.186 -15.474 1.00 0.00 O ATOM 184 CB VAL A 12 6.207 3.584 -18.265 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.828 2.995 -18.519 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.755 4.242 -19.523 1.00 0.00 C ATOM 0 H VAL A 12 8.223 4.778 -17.413 1.00 0.00 H new ATOM 0 HA VAL A 12 5.517 5.432 -17.391 1.00 0.00 H new ATOM 0 HB VAL A 12 6.877 2.771 -17.986 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.883 2.282 -19.341 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.478 2.487 -17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.133 3.794 -18.778 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.784 3.512 -20.332 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.112 5.075 -19.808 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.763 4.611 -19.331 1.00 0.00 H new ATOM 196 N ALA A 13 6.360 3.023 -15.273 1.00 0.00 N ATOM 197 CA ALA A 13 5.925 2.301 -14.083 1.00 0.00 C ATOM 198 C ALA A 13 5.353 3.256 -13.041 1.00 0.00 C ATOM 199 O ALA A 13 4.179 3.168 -12.684 1.00 0.00 O ATOM 200 CB ALA A 13 7.081 1.506 -13.496 1.00 0.00 C ATOM 0 H ALA A 13 7.299 2.785 -15.591 1.00 0.00 H new ATOM 0 HA ALA A 13 5.135 1.609 -14.376 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.742 0.972 -12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.442 0.790 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.889 2.185 -13.224 1.00 0.00 H new ATOM 206 N GLN A 14 6.192 4.166 -12.555 1.00 0.00 N ATOM 207 CA GLN A 14 5.769 5.135 -11.552 1.00 0.00 C ATOM 208 C GLN A 14 4.526 5.889 -12.013 1.00 0.00 C ATOM 209 O GLN A 14 3.563 6.036 -11.261 1.00 0.00 O ATOM 210 CB GLN A 14 6.900 6.123 -11.258 1.00 0.00 C ATOM 211 CG GLN A 14 6.478 7.285 -10.373 1.00 0.00 C ATOM 212 CD GLN A 14 5.977 6.832 -9.016 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.638 6.057 -8.324 1.00 0.00 O ATOM 214 NE2 GLN A 14 4.803 7.316 -8.627 1.00 0.00 N ATOM 0 H GLN A 14 7.168 4.252 -12.840 1.00 0.00 H new ATOM 0 HA GLN A 14 5.524 4.592 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.721 5.590 -10.777 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.283 6.515 -12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.324 7.959 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.694 7.853 -10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.289 7.956 -9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.415 7.048 -7.722 1.00 0.00 H new ATOM 223 N ALA A 15 4.555 6.365 -13.253 1.00 0.00 N ATOM 224 CA ALA A 15 3.430 7.103 -13.815 1.00 0.00 C ATOM 225 C ALA A 15 2.129 6.324 -13.655 1.00 0.00 C ATOM 226 O ALA A 15 1.177 6.804 -13.040 1.00 0.00 O ATOM 227 CB ALA A 15 3.684 7.416 -15.282 1.00 0.00 C ATOM 0 H ALA A 15 5.345 6.253 -13.888 1.00 0.00 H new ATOM 0 HA ALA A 15 3.331 8.040 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.836 7.967 -15.689 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.587 8.020 -15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.811 6.486 -15.836 1.00 0.00 H new ATOM 233 N PHE A 16 2.094 5.119 -14.215 1.00 0.00 N ATOM 234 CA PHE A 16 0.908 4.274 -14.136 1.00 0.00 C ATOM 235 C PHE A 16 0.415 4.161 -12.697 1.00 0.00 C ATOM 236 O PHE A 16 -0.757 4.406 -12.409 1.00 0.00 O ATOM 237 CB PHE A 16 1.210 2.881 -14.694 1.00 0.00 C ATOM 238 CG PHE A 16 0.890 2.738 -16.154 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.379 2.361 -16.565 1.00 0.00 C ATOM 240 CD2 PHE A 16 1.857 2.980 -17.117 1.00 0.00 C ATOM 241 CE1 PHE A 16 -0.677 2.228 -17.908 1.00 0.00 C ATOM 242 CE2 PHE A 16 1.564 2.849 -18.461 1.00 0.00 C ATOM 243 CZ PHE A 16 0.296 2.472 -18.857 1.00 0.00 C ATOM 0 H PHE A 16 2.873 4.706 -14.728 1.00 0.00 H new ATOM 0 HA PHE A 16 0.123 4.736 -14.735 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.265 2.657 -14.538 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.640 2.142 -14.131 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.144 2.169 -15.827 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.851 3.274 -16.813 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.670 1.934 -18.215 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.326 3.041 -19.201 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.066 2.368 -19.907 1.00 0.00 H new ATOM 253 N VAL A 17 1.318 3.787 -11.796 1.00 0.00 N ATOM 254 CA VAL A 17 0.976 3.642 -10.386 1.00 0.00 C ATOM 255 C VAL A 17 0.524 4.971 -9.790 1.00 0.00 C ATOM 256 O VAL A 17 -0.208 5.003 -8.801 1.00 0.00 O ATOM 257 CB VAL A 17 2.169 3.107 -9.571 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.831 3.073 -8.089 1.00 0.00 C ATOM 259 CG2 VAL A 17 2.575 1.727 -10.066 1.00 0.00 C ATOM 0 H VAL A 17 2.292 3.579 -12.017 1.00 0.00 H new ATOM 0 HA VAL A 17 0.157 2.925 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 17 3.014 3.781 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.686 2.692 -7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.593 4.080 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.972 2.422 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.419 1.364 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.736 1.040 -9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.862 1.787 -11.116 1.00 0.00 H new ATOM 269 N ASP A 18 0.963 6.066 -10.400 1.00 0.00 N ATOM 270 CA ASP A 18 0.602 7.399 -9.932 1.00 0.00 C ATOM 271 C ASP A 18 -0.878 7.678 -10.174 1.00 0.00 C ATOM 272 O ASP A 18 -1.632 7.941 -9.237 1.00 0.00 O ATOM 273 CB ASP A 18 1.455 8.458 -10.633 1.00 0.00 C ATOM 274 CG ASP A 18 1.457 9.782 -9.895 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.890 9.807 -8.724 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.024 10.793 -10.488 1.00 0.00 O ATOM 0 H ASP A 18 1.570 6.057 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 18 0.791 7.444 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.479 8.094 -10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.080 8.610 -11.645 1.00 0.00 H new ATOM 281 N TYR A 19 -1.287 7.619 -11.436 1.00 0.00 N ATOM 282 CA TYR A 19 -2.676 7.869 -11.802 1.00 0.00 C ATOM 283 C TYR A 19 -3.597 6.816 -11.194 1.00 0.00 C ATOM 284 O TYR A 19 -4.781 7.066 -10.970 1.00 0.00 O ATOM 285 CB TYR A 19 -2.830 7.880 -13.324 1.00 0.00 C ATOM 286 CG TYR A 19 -3.341 6.574 -13.890 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.690 6.247 -13.828 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.474 5.666 -14.485 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.161 5.055 -14.343 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.936 4.472 -15.004 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.280 4.171 -14.930 1.00 0.00 C ATOM 292 OH TYR A 19 -4.744 2.982 -15.445 1.00 0.00 O ATOM 0 H TYR A 19 -0.676 7.400 -12.223 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.959 8.845 -11.408 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.514 8.681 -13.606 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.866 8.110 -13.777 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.383 6.937 -13.369 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.421 5.898 -14.543 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.213 4.817 -14.286 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.249 3.778 -15.465 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.736 2.297 -14.744 1.00 0.00 H new ATOM 302 N MET A 20 -3.043 5.638 -10.927 1.00 0.00 N ATOM 303 CA MET A 20 -3.814 4.547 -10.342 1.00 0.00 C ATOM 304 C MET A 20 -4.055 4.787 -8.855 1.00 0.00 C ATOM 305 O MET A 20 -5.148 4.541 -8.346 1.00 0.00 O ATOM 306 CB MET A 20 -3.088 3.215 -10.545 1.00 0.00 C ATOM 307 CG MET A 20 -3.040 2.764 -11.996 1.00 0.00 C ATOM 308 SD MET A 20 -4.295 1.527 -12.380 1.00 0.00 S ATOM 309 CE MET A 20 -5.793 2.451 -12.053 1.00 0.00 C ATOM 0 H MET A 20 -2.064 5.414 -11.106 1.00 0.00 H new ATOM 0 HA MET A 20 -4.780 4.507 -10.846 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.070 3.304 -10.167 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.582 2.447 -9.950 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.176 3.628 -12.646 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.053 2.355 -12.213 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.614 2.031 -12.634 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.032 2.392 -10.991 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.646 3.494 -12.334 1.00 0.00 H new ATOM 319 N ALA A 21 -3.026 5.268 -8.164 1.00 0.00 N ATOM 320 CA ALA A 21 -3.127 5.542 -6.736 1.00 0.00 C ATOM 321 C ALA A 21 -4.079 6.702 -6.466 1.00 0.00 C ATOM 322 O ALA A 21 -4.891 6.651 -5.541 1.00 0.00 O ATOM 323 CB ALA A 21 -1.751 5.841 -6.158 1.00 0.00 C ATOM 0 H ALA A 21 -2.114 5.476 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.530 4.654 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.841 6.044 -5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.098 4.982 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.328 6.712 -6.658 1.00 0.00 H new ATOM 329 N THR A 22 -3.976 7.749 -7.279 1.00 0.00 N ATOM 330 CA THR A 22 -4.827 8.922 -7.127 1.00 0.00 C ATOM 331 C THR A 22 -6.279 8.595 -7.458 1.00 0.00 C ATOM 332 O THR A 22 -7.182 9.379 -7.169 1.00 0.00 O ATOM 333 CB THR A 22 -4.355 10.079 -8.027 1.00 0.00 C ATOM 334 OG1 THR A 22 -5.129 11.254 -7.760 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.479 9.707 -9.497 1.00 0.00 C ATOM 0 H THR A 22 -3.311 7.808 -8.050 1.00 0.00 H new ATOM 0 HA THR A 22 -4.756 9.231 -6.084 1.00 0.00 H new ATOM 0 HB THR A 22 -3.306 10.277 -7.806 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.039 10.995 -7.503 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.140 10.540 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.866 8.830 -9.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.520 9.484 -9.729 1.00 0.00 H new ATOM 343 N GLN A 23 -6.495 7.433 -8.065 1.00 0.00 N ATOM 344 CA GLN A 23 -7.838 7.003 -8.435 1.00 0.00 C ATOM 345 C GLN A 23 -8.446 6.120 -7.350 1.00 0.00 C ATOM 346 O GLN A 23 -9.602 5.709 -7.445 1.00 0.00 O ATOM 347 CB GLN A 23 -7.807 6.249 -9.766 1.00 0.00 C ATOM 348 CG GLN A 23 -7.823 7.160 -10.982 1.00 0.00 C ATOM 349 CD GLN A 23 -9.067 8.025 -11.047 1.00 0.00 C ATOM 350 OE1 GLN A 23 -10.105 7.602 -11.557 1.00 0.00 O ATOM 351 NE2 GLN A 23 -8.968 9.243 -10.528 1.00 0.00 N ATOM 0 H GLN A 23 -5.758 6.773 -8.311 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.459 7.892 -8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.913 5.627 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.665 5.578 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.941 7.800 -10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.759 6.554 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.088 9.552 -10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.772 9.870 -10.542 1.00 0.00 H new ATOM 360 N GLY A 24 -7.658 5.831 -6.319 1.00 0.00 N ATOM 361 CA GLY A 24 -8.136 4.998 -5.231 1.00 0.00 C ATOM 362 C GLY A 24 -7.618 3.576 -5.320 1.00 0.00 C ATOM 363 O GLY A 24 -8.031 2.708 -4.551 1.00 0.00 O ATOM 0 H GLY A 24 -6.697 6.159 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.829 5.435 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.226 4.986 -5.238 1.00 0.00 H new ATOM 367 N VAL A 25 -6.712 3.335 -6.263 1.00 0.00 N ATOM 368 CA VAL A 25 -6.138 2.008 -6.450 1.00 0.00 C ATOM 369 C VAL A 25 -4.623 2.037 -6.289 1.00 0.00 C ATOM 370 O VAL A 25 -3.913 2.633 -7.100 1.00 0.00 O ATOM 371 CB VAL A 25 -6.485 1.437 -7.838 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.220 -0.060 -7.881 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.933 1.741 -8.192 1.00 0.00 C ATOM 0 H VAL A 25 -6.360 4.042 -6.909 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.570 1.365 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.845 1.916 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.471 -0.446 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.167 -0.249 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.832 -0.560 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.161 1.330 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.591 1.291 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.086 2.820 -8.205 1.00 0.00 H new ATOM 383 N ILE A 26 -4.133 1.388 -5.238 1.00 0.00 N ATOM 384 CA ILE A 26 -2.700 1.339 -4.971 1.00 0.00 C ATOM 385 C ILE A 26 -2.018 0.277 -5.828 1.00 0.00 C ATOM 386 O ILE A 26 -2.446 -0.877 -5.862 1.00 0.00 O ATOM 387 CB ILE A 26 -2.414 1.046 -3.486 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.038 2.126 -2.601 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.915 0.956 -3.244 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.487 3.511 -2.859 1.00 0.00 C ATOM 0 H ILE A 26 -4.706 0.889 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.298 2.320 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.863 0.087 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.116 2.137 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.873 1.867 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.728 0.749 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.496 0.154 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.445 1.901 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.975 4.226 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.413 3.516 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.675 3.790 -3.896 1.00 0.00 H new ATOM 402 N LEU A 27 -0.955 0.675 -6.517 1.00 0.00 N ATOM 403 CA LEU A 27 -0.211 -0.242 -7.373 1.00 0.00 C ATOM 404 C LEU A 27 1.244 -0.347 -6.925 1.00 0.00 C ATOM 405 O LEU A 27 1.741 0.505 -6.188 1.00 0.00 O ATOM 406 CB LEU A 27 -0.275 0.222 -8.829 1.00 0.00 C ATOM 407 CG LEU A 27 -1.509 -0.216 -9.619 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.507 -1.724 -9.818 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.781 0.228 -8.913 1.00 0.00 C ATOM 0 H LEU A 27 -0.589 1.627 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.669 -1.228 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.226 1.311 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.612 -0.145 -9.346 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.477 0.260 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.392 -2.018 -10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.613 -2.017 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.515 -2.219 -8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.648 -0.093 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.821 -0.219 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.787 1.314 -8.823 1.00 0.00 H new ATOM 421 N THR A 28 1.922 -1.397 -7.376 1.00 0.00 N ATOM 422 CA THR A 28 3.320 -1.613 -7.023 1.00 0.00 C ATOM 423 C THR A 28 4.158 -1.918 -8.259 1.00 0.00 C ATOM 424 O THR A 28 3.659 -2.473 -9.238 1.00 0.00 O ATOM 425 CB THR A 28 3.473 -2.768 -6.016 1.00 0.00 C ATOM 426 OG1 THR A 28 2.201 -3.087 -5.440 1.00 0.00 O ATOM 427 CG2 THR A 28 4.456 -2.399 -4.915 1.00 0.00 C ATOM 0 H THR A 28 1.526 -2.112 -7.987 1.00 0.00 H new ATOM 0 HA THR A 28 3.676 -0.691 -6.564 1.00 0.00 H new ATOM 0 HB THR A 28 3.858 -3.637 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.640 -3.529 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.548 -3.230 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.430 -2.185 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.095 -1.517 -4.385 1.00 0.00 H new ATOM 435 N ILE A 29 5.435 -1.552 -8.207 1.00 0.00 N ATOM 436 CA ILE A 29 6.343 -1.789 -9.323 1.00 0.00 C ATOM 437 C ILE A 29 7.573 -2.570 -8.874 1.00 0.00 C ATOM 438 O ILE A 29 8.083 -2.363 -7.773 1.00 0.00 O ATOM 439 CB ILE A 29 6.796 -0.467 -9.970 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.599 0.260 -10.587 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.862 -0.730 -11.023 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.962 -0.490 -11.735 1.00 0.00 C ATOM 0 H ILE A 29 5.864 -1.091 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 29 5.793 -2.375 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 29 7.226 0.170 -9.197 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.849 0.429 -9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.921 1.240 -10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.172 0.214 -11.471 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.723 -1.210 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.457 -1.383 -11.796 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.121 0.085 -12.123 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.697 -0.636 -12.526 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.608 -1.460 -11.385 1.00 0.00 H new ATOM 454 N GLN A 30 8.045 -3.465 -9.735 1.00 0.00 N ATOM 455 CA GLN A 30 9.218 -4.276 -9.427 1.00 0.00 C ATOM 456 C GLN A 30 10.321 -4.051 -10.455 1.00 0.00 C ATOM 457 O GLN A 30 10.256 -4.564 -11.571 1.00 0.00 O ATOM 458 CB GLN A 30 8.841 -5.758 -9.382 1.00 0.00 C ATOM 459 CG GLN A 30 8.668 -6.300 -7.972 1.00 0.00 C ATOM 460 CD GLN A 30 9.651 -7.408 -7.649 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.476 -8.552 -8.070 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.693 -7.074 -6.896 1.00 0.00 N ATOM 0 H GLN A 30 7.634 -3.647 -10.651 1.00 0.00 H new ATOM 0 HA GLN A 30 9.592 -3.973 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.913 -5.905 -9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.612 -6.336 -9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.794 -5.488 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.651 -6.675 -7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.799 -6.114 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.387 -7.778 -6.645 1.00 0.00 H new ATOM 471 N GLN A 31 11.333 -3.279 -10.070 1.00 0.00 N ATOM 472 CA GLN A 31 12.450 -2.985 -10.959 1.00 0.00 C ATOM 473 C GLN A 31 13.551 -4.030 -10.814 1.00 0.00 C ATOM 474 O GLN A 31 14.275 -4.050 -9.817 1.00 0.00 O ATOM 475 CB GLN A 31 13.010 -1.592 -10.665 1.00 0.00 C ATOM 476 CG GLN A 31 13.237 -0.752 -11.912 1.00 0.00 C ATOM 477 CD GLN A 31 14.505 0.075 -11.836 1.00 0.00 C ATOM 478 OE1 GLN A 31 15.475 -0.188 -12.548 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.505 1.081 -10.969 1.00 0.00 N ATOM 0 H GLN A 31 11.402 -2.846 -9.149 1.00 0.00 H new ATOM 0 HA GLN A 31 12.082 -3.012 -11.985 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.323 -1.066 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.954 -1.694 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.286 -1.407 -12.782 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.384 -0.090 -12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.679 1.263 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.331 1.672 -10.873 1.00 0.00 H new ATOM 536 N SER A 35 23.231 -7.487 -13.583 1.00 0.00 N ATOM 537 CA SER A 35 24.394 -6.998 -14.314 1.00 0.00 C ATOM 538 C SER A 35 25.166 -8.153 -14.944 1.00 0.00 C ATOM 539 O SER A 35 25.948 -8.829 -14.275 1.00 0.00 O ATOM 540 CB SER A 35 25.312 -6.203 -13.383 1.00 0.00 C ATOM 541 OG SER A 35 24.738 -4.952 -13.047 1.00 0.00 O ATOM 0 HA SER A 35 24.041 -6.343 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.499 -6.776 -12.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.277 -6.046 -13.865 1.00 0.00 H new ATOM 0 HG SER A 35 25.343 -4.464 -12.450 1.00 0.00 H new ATOM 547 N ASP A 36 24.939 -8.375 -16.234 1.00 0.00 N ATOM 548 CA ASP A 36 25.614 -9.448 -16.955 1.00 0.00 C ATOM 549 C ASP A 36 27.013 -9.018 -17.385 1.00 0.00 C ATOM 550 O ASP A 36 27.185 -7.985 -18.033 1.00 0.00 O ATOM 551 CB ASP A 36 24.795 -9.861 -18.179 1.00 0.00 C ATOM 552 CG ASP A 36 24.174 -11.235 -18.024 1.00 0.00 C ATOM 553 OD1 ASP A 36 23.777 -11.581 -16.892 1.00 0.00 O ATOM 554 OD2 ASP A 36 24.086 -11.965 -19.034 1.00 0.00 O ATOM 0 H ASP A 36 24.293 -7.826 -16.802 1.00 0.00 H new ATOM 0 HA ASP A 36 25.707 -10.302 -16.284 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.008 -9.127 -18.350 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.436 -9.853 -19.061 1.00 0.00 H new ATOM 559 N VAL A 37 28.010 -9.817 -17.019 1.00 0.00 N ATOM 560 CA VAL A 37 29.395 -9.520 -17.367 1.00 0.00 C ATOM 561 C VAL A 37 29.841 -10.325 -18.581 1.00 0.00 C ATOM 562 O VAL A 37 29.845 -11.556 -18.555 1.00 0.00 O ATOM 563 CB VAL A 37 30.344 -9.816 -16.191 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.698 -9.161 -16.420 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.731 -9.347 -14.880 1.00 0.00 C ATOM 0 H VAL A 37 27.885 -10.675 -16.482 1.00 0.00 H new ATOM 0 HA VAL A 37 29.442 -8.457 -17.603 1.00 0.00 H new ATOM 0 HB VAL A 37 30.494 -10.894 -16.130 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.355 -9.381 -15.579 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.140 -9.550 -17.337 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.570 -8.082 -16.508 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.415 -9.564 -14.060 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.550 -8.273 -14.927 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.788 -9.867 -14.713 1.00 0.00 H new ATOM 575 N TRP A 38 30.218 -9.623 -19.644 1.00 0.00 N ATOM 576 CA TRP A 38 30.667 -10.273 -20.870 1.00 0.00 C ATOM 577 C TRP A 38 32.021 -9.727 -21.311 1.00 0.00 C ATOM 578 O TRP A 38 32.300 -8.537 -21.159 1.00 0.00 O ATOM 579 CB TRP A 38 29.637 -10.077 -21.983 1.00 0.00 C ATOM 580 CG TRP A 38 28.775 -8.867 -21.788 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.927 -8.624 -20.745 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.675 -7.736 -22.660 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.307 -7.410 -20.917 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.749 -6.845 -22.084 1.00 0.00 C ATOM 585 CE3 TRP A 38 29.280 -7.388 -23.871 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.415 -5.631 -22.679 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.947 -6.184 -24.461 1.00 0.00 C ATOM 588 CH2 TRP A 38 28.022 -5.317 -23.864 1.00 0.00 C ATOM 0 H TRP A 38 30.222 -8.604 -19.682 1.00 0.00 H new ATOM 0 HA TRP A 38 30.774 -11.339 -20.668 1.00 0.00 H new ATOM 0 HB2 TRP A 38 30.156 -9.995 -22.938 1.00 0.00 H new ATOM 0 HB3 TRP A 38 29.002 -10.961 -22.041 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.767 -9.288 -19.908 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.627 -6.996 -20.279 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.995 -8.049 -24.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.702 -4.961 -22.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 29.407 -5.906 -25.398 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.784 -4.382 -24.349 1.00 0.00 H new ATOM 599 N LEU A 39 32.857 -10.602 -21.857 1.00 0.00 N ATOM 600 CA LEU A 39 34.183 -10.206 -22.321 1.00 0.00 C ATOM 601 C LEU A 39 34.312 -10.400 -23.828 1.00 0.00 C ATOM 602 O LEU A 39 33.655 -11.261 -24.412 1.00 0.00 O ATOM 603 CB LEU A 39 35.260 -11.016 -21.597 1.00 0.00 C ATOM 604 CG LEU A 39 36.679 -10.892 -22.153 1.00 0.00 C ATOM 605 CD1 LEU A 39 37.241 -9.505 -21.878 1.00 0.00 C ATOM 606 CD2 LEU A 39 37.581 -11.962 -21.557 1.00 0.00 C ATOM 0 H LEU A 39 32.641 -11.590 -21.990 1.00 0.00 H new ATOM 0 HA LEU A 39 34.320 -9.148 -22.096 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.273 -10.712 -20.550 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.973 -12.067 -21.620 1.00 0.00 H new ATOM 0 HG LEU A 39 36.639 -11.038 -23.232 1.00 0.00 H new ATOM 0 HD11 LEU A 39 38.251 -9.435 -22.281 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.608 -8.755 -22.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 37.266 -9.329 -20.803 1.00 0.00 H new ATOM 0 HD21 LEU A 39 38.587 -11.858 -21.964 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.615 -11.847 -20.474 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.189 -12.948 -21.806 1.00 0.00 H new ATOM 618 N ALA A 40 35.165 -9.594 -24.452 1.00 0.00 N ATOM 619 CA ALA A 40 35.384 -9.679 -25.890 1.00 0.00 C ATOM 620 C ALA A 40 36.672 -10.432 -26.206 1.00 0.00 C ATOM 621 O ALA A 40 36.787 -11.074 -27.251 1.00 0.00 O ATOM 622 CB ALA A 40 35.422 -8.286 -26.502 1.00 0.00 C ATOM 0 H ALA A 40 35.716 -8.875 -23.983 1.00 0.00 H new ATOM 0 HA ALA A 40 34.553 -10.233 -26.326 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.586 -8.365 -27.577 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.474 -7.781 -26.316 1.00 0.00 H new ATOM 0 HB3 ALA A 40 36.233 -7.713 -26.052 1.00 0.00 H new ATOM 628 N ASP A 41 37.638 -10.350 -25.298 1.00 0.00 N ATOM 629 CA ASP A 41 38.918 -11.024 -25.480 1.00 0.00 C ATOM 630 C ASP A 41 38.860 -12.453 -24.948 1.00 0.00 C ATOM 631 O ASP A 41 39.212 -12.712 -23.798 1.00 0.00 O ATOM 632 CB ASP A 41 40.032 -10.249 -24.773 1.00 0.00 C ATOM 633 CG ASP A 41 41.413 -10.751 -25.147 1.00 0.00 C ATOM 634 OD1 ASP A 41 41.600 -11.984 -25.208 1.00 0.00 O ATOM 635 OD2 ASP A 41 42.306 -9.910 -25.379 1.00 0.00 O ATOM 0 H ASP A 41 37.559 -9.823 -24.428 1.00 0.00 H new ATOM 0 HA ASP A 41 39.133 -11.061 -26.548 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.952 -9.192 -25.026 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.899 -10.330 -23.694 1.00 0.00 H new ATOM 640 N GLU A 42 38.412 -13.376 -25.794 1.00 0.00 N ATOM 641 CA GLU A 42 38.306 -14.778 -25.408 1.00 0.00 C ATOM 642 C GLU A 42 39.604 -15.267 -24.773 1.00 0.00 C ATOM 643 O GLU A 42 39.588 -15.948 -23.748 1.00 0.00 O ATOM 644 CB GLU A 42 37.963 -15.640 -26.625 1.00 0.00 C ATOM 645 CG GLU A 42 36.614 -15.313 -27.243 1.00 0.00 C ATOM 646 CD GLU A 42 36.341 -16.110 -28.503 1.00 0.00 C ATOM 647 OE1 GLU A 42 37.311 -16.606 -29.114 1.00 0.00 O ATOM 648 OE2 GLU A 42 35.156 -16.239 -28.877 1.00 0.00 O ATOM 0 H GLU A 42 38.117 -13.178 -26.750 1.00 0.00 H new ATOM 0 HA GLU A 42 37.507 -14.867 -24.672 1.00 0.00 H new ATOM 0 HB2 GLU A 42 38.739 -15.513 -27.380 1.00 0.00 H new ATOM 0 HB3 GLU A 42 37.973 -16.689 -26.331 1.00 0.00 H new ATOM 0 HG2 GLU A 42 35.827 -15.511 -26.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.573 -14.249 -27.475 1.00 0.00 H new ATOM 655 N SER A 43 40.727 -14.915 -25.391 1.00 0.00 N ATOM 656 CA SER A 43 42.035 -15.322 -24.890 1.00 0.00 C ATOM 657 C SER A 43 42.214 -14.899 -23.435 1.00 0.00 C ATOM 658 O SER A 43 42.856 -15.597 -22.650 1.00 0.00 O ATOM 659 CB SER A 43 43.145 -14.714 -25.749 1.00 0.00 C ATOM 660 OG SER A 43 42.712 -14.530 -27.086 1.00 0.00 O ATOM 0 H SER A 43 40.758 -14.349 -26.239 1.00 0.00 H new ATOM 0 HA SER A 43 42.096 -16.409 -24.945 1.00 0.00 H new ATOM 0 HB2 SER A 43 43.452 -13.757 -25.328 1.00 0.00 H new ATOM 0 HB3 SER A 43 44.019 -15.365 -25.733 1.00 0.00 H new ATOM 0 HG SER A 43 43.439 -14.139 -27.614 1.00 0.00 H new ATOM 666 N GLN A 44 41.642 -13.752 -23.083 1.00 0.00 N ATOM 667 CA GLN A 44 41.739 -13.236 -21.723 1.00 0.00 C ATOM 668 C GLN A 44 40.628 -13.803 -20.845 1.00 0.00 C ATOM 669 O GLN A 44 40.677 -13.697 -19.620 1.00 0.00 O ATOM 670 CB GLN A 44 41.670 -11.708 -21.729 1.00 0.00 C ATOM 671 CG GLN A 44 43.024 -11.038 -21.557 1.00 0.00 C ATOM 672 CD GLN A 44 44.133 -11.765 -22.291 1.00 0.00 C ATOM 673 OE1 GLN A 44 44.766 -12.669 -21.744 1.00 0.00 O ATOM 674 NE2 GLN A 44 44.374 -11.374 -23.536 1.00 0.00 N ATOM 0 H GLN A 44 41.107 -13.163 -23.721 1.00 0.00 H new ATOM 0 HA GLN A 44 42.698 -13.548 -21.310 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.226 -11.376 -22.668 1.00 0.00 H new ATOM 0 HB3 GLN A 44 41.007 -11.379 -20.929 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.966 -10.012 -21.919 1.00 0.00 H new ATOM 0 HG3 GLN A 44 43.268 -10.988 -20.496 1.00 0.00 H new ATOM 0 HE21 GLN A 44 43.825 -10.621 -23.949 1.00 0.00 H new ATOM 0 HE22 GLN A 44 45.109 -11.827 -24.080 1.00 0.00 H new ATOM 683 N ALA A 45 39.628 -14.406 -21.480 1.00 0.00 N ATOM 684 CA ALA A 45 38.507 -14.992 -20.756 1.00 0.00 C ATOM 685 C ALA A 45 38.992 -15.927 -19.654 1.00 0.00 C ATOM 686 O ALA A 45 38.387 -16.008 -18.586 1.00 0.00 O ATOM 687 CB ALA A 45 37.590 -15.735 -21.716 1.00 0.00 C ATOM 0 H ALA A 45 39.572 -14.501 -22.494 1.00 0.00 H new ATOM 0 HA ALA A 45 37.947 -14.183 -20.288 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.757 -16.168 -21.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.207 -15.041 -22.464 1.00 0.00 H new ATOM 0 HB3 ALA A 45 38.148 -16.530 -22.211 1.00 0.00 H new ATOM 693 N GLU A 46 40.088 -16.630 -19.921 1.00 0.00 N ATOM 694 CA GLU A 46 40.653 -17.561 -18.951 1.00 0.00 C ATOM 695 C GLU A 46 41.179 -16.818 -17.727 1.00 0.00 C ATOM 696 O GLU A 46 40.883 -17.185 -16.590 1.00 0.00 O ATOM 697 CB GLU A 46 41.779 -18.377 -19.590 1.00 0.00 C ATOM 698 CG GLU A 46 41.366 -19.091 -20.865 1.00 0.00 C ATOM 699 CD GLU A 46 42.540 -19.720 -21.589 1.00 0.00 C ATOM 700 OE1 GLU A 46 43.691 -19.494 -21.159 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.310 -20.438 -22.584 1.00 0.00 O ATOM 0 H GLU A 46 40.602 -16.573 -20.800 1.00 0.00 H new ATOM 0 HA GLU A 46 39.861 -18.238 -18.631 1.00 0.00 H new ATOM 0 HB2 GLU A 46 42.616 -17.715 -19.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 42.136 -19.114 -18.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 40.637 -19.864 -20.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 40.872 -18.383 -21.530 1.00 0.00 H new ATOM 708 N ARG A 47 41.962 -15.771 -17.969 1.00 0.00 N ATOM 709 CA ARG A 47 42.532 -14.977 -16.887 1.00 0.00 C ATOM 710 C ARG A 47 41.433 -14.392 -16.005 1.00 0.00 C ATOM 711 O ARG A 47 41.432 -14.581 -14.789 1.00 0.00 O ATOM 712 CB ARG A 47 43.399 -13.852 -17.454 1.00 0.00 C ATOM 713 CG ARG A 47 44.017 -12.963 -16.387 1.00 0.00 C ATOM 714 CD ARG A 47 43.208 -11.691 -16.184 1.00 0.00 C ATOM 715 NE ARG A 47 43.602 -10.980 -14.970 1.00 0.00 N ATOM 716 CZ ARG A 47 44.752 -10.328 -14.841 1.00 0.00 C ATOM 717 NH1 ARG A 47 45.617 -10.297 -15.845 1.00 0.00 N ATOM 718 NH2 ARG A 47 45.038 -9.705 -13.705 1.00 0.00 N ATOM 0 H ARG A 47 42.216 -15.453 -18.904 1.00 0.00 H new ATOM 0 HA ARG A 47 43.153 -15.633 -16.277 1.00 0.00 H new ATOM 0 HB2 ARG A 47 44.195 -14.287 -18.058 1.00 0.00 H new ATOM 0 HB3 ARG A 47 42.793 -13.238 -18.120 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.078 -13.510 -15.446 1.00 0.00 H new ATOM 0 HG3 ARG A 47 45.037 -12.705 -16.673 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.339 -11.037 -17.046 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.148 -11.940 -16.131 1.00 0.00 H new ATOM 0 HE ARG A 47 42.959 -10.985 -14.178 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.400 -10.775 -16.720 1.00 0.00 H new ATOM 0 HH12 ARG A 47 46.499 -9.795 -15.743 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.375 -9.727 -12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.921 -9.204 -13.606 1.00 0.00 H new ATOM 732 N VAL A 48 40.498 -13.680 -16.627 1.00 0.00 N ATOM 733 CA VAL A 48 39.393 -13.067 -15.900 1.00 0.00 C ATOM 734 C VAL A 48 38.612 -14.109 -15.107 1.00 0.00 C ATOM 735 O VAL A 48 38.188 -13.857 -13.979 1.00 0.00 O ATOM 736 CB VAL A 48 38.430 -12.336 -16.854 1.00 0.00 C ATOM 737 CG1 VAL A 48 39.118 -11.139 -17.493 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.907 -13.290 -17.916 1.00 0.00 C ATOM 0 H VAL A 48 40.484 -13.514 -17.633 1.00 0.00 H new ATOM 0 HA VAL A 48 39.830 -12.343 -15.212 1.00 0.00 H new ATOM 0 HB VAL A 48 37.581 -11.971 -16.276 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.422 -10.635 -18.164 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.439 -10.446 -16.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.986 -11.477 -18.058 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.228 -12.757 -18.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 38.743 -13.687 -18.492 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.375 -14.112 -17.437 1.00 0.00 H new ATOM 748 N ARG A 49 38.426 -15.281 -15.705 1.00 0.00 N ATOM 749 CA ARG A 49 37.695 -16.363 -15.055 1.00 0.00 C ATOM 750 C ARG A 49 38.355 -16.750 -13.736 1.00 0.00 C ATOM 751 O ARG A 49 37.701 -16.803 -12.695 1.00 0.00 O ATOM 752 CB ARG A 49 37.619 -17.581 -15.977 1.00 0.00 C ATOM 753 CG ARG A 49 36.345 -17.641 -16.804 1.00 0.00 C ATOM 754 CD ARG A 49 36.566 -18.378 -18.116 1.00 0.00 C ATOM 755 NE ARG A 49 35.532 -19.379 -18.362 1.00 0.00 N ATOM 756 CZ ARG A 49 35.315 -19.935 -19.549 1.00 0.00 C ATOM 757 NH1 ARG A 49 36.057 -19.588 -20.592 1.00 0.00 N ATOM 758 NH2 ARG A 49 34.356 -20.839 -19.695 1.00 0.00 N ATOM 0 H ARG A 49 38.771 -15.506 -16.638 1.00 0.00 H new ATOM 0 HA ARG A 49 36.685 -16.011 -14.845 1.00 0.00 H new ATOM 0 HB2 ARG A 49 38.478 -17.572 -16.648 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.694 -18.487 -15.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.562 -18.140 -16.233 1.00 0.00 H new ATOM 0 HG3 ARG A 49 35.995 -16.629 -17.008 1.00 0.00 H new ATOM 0 HD2 ARG A 49 36.579 -17.661 -18.937 1.00 0.00 H new ATOM 0 HD3 ARG A 49 37.543 -18.862 -18.100 1.00 0.00 H new ATOM 0 HE ARG A 49 34.944 -19.667 -17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 49 36.796 -18.893 -20.484 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.889 -20.016 -21.502 1.00 0.00 H new ATOM 0 HH21 ARG A 49 33.783 -21.109 -18.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 34.191 -21.265 -20.607 1.00 0.00 H new ATOM 772 N ALA A 50 39.656 -17.020 -13.788 1.00 0.00 N ATOM 773 CA ALA A 50 40.405 -17.401 -12.597 1.00 0.00 C ATOM 774 C ALA A 50 40.330 -16.314 -11.530 1.00 0.00 C ATOM 775 O ALA A 50 39.892 -16.564 -10.408 1.00 0.00 O ATOM 776 CB ALA A 50 41.855 -17.690 -12.956 1.00 0.00 C ATOM 0 H ALA A 50 40.212 -16.982 -14.642 1.00 0.00 H new ATOM 0 HA ALA A 50 39.955 -18.306 -12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.403 -17.973 -12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.895 -18.506 -13.678 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.307 -16.798 -13.390 1.00 0.00 H new ATOM 782 N GLU A 51 40.759 -15.108 -11.888 1.00 0.00 N ATOM 783 CA GLU A 51 40.741 -13.984 -10.960 1.00 0.00 C ATOM 784 C GLU A 51 39.338 -13.762 -10.402 1.00 0.00 C ATOM 785 O GLU A 51 39.154 -13.619 -9.192 1.00 0.00 O ATOM 786 CB GLU A 51 41.233 -12.712 -11.653 1.00 0.00 C ATOM 787 CG GLU A 51 42.625 -12.843 -12.248 1.00 0.00 C ATOM 788 CD GLU A 51 43.581 -13.588 -11.338 1.00 0.00 C ATOM 789 OE1 GLU A 51 43.986 -13.014 -10.305 1.00 0.00 O ATOM 790 OE2 GLU A 51 43.925 -14.746 -11.657 1.00 0.00 O ATOM 0 H GLU A 51 41.123 -14.884 -12.814 1.00 0.00 H new ATOM 0 HA GLU A 51 41.410 -14.219 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.532 -12.445 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.230 -11.892 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.560 -13.363 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.024 -11.849 -12.452 1.00 0.00 H new ATOM 797 N LEU A 52 38.352 -13.734 -11.291 1.00 0.00 N ATOM 798 CA LEU A 52 36.965 -13.529 -10.889 1.00 0.00 C ATOM 799 C LEU A 52 36.576 -14.485 -9.766 1.00 0.00 C ATOM 800 O LEU A 52 36.071 -14.064 -8.726 1.00 0.00 O ATOM 801 CB LEU A 52 36.032 -13.724 -12.086 1.00 0.00 C ATOM 802 CG LEU A 52 34.551 -13.440 -11.836 1.00 0.00 C ATOM 803 CD1 LEU A 52 33.872 -12.982 -13.118 1.00 0.00 C ATOM 804 CD2 LEU A 52 33.858 -14.673 -11.274 1.00 0.00 C ATOM 0 H LEU A 52 38.487 -13.851 -12.295 1.00 0.00 H new ATOM 0 HA LEU A 52 36.867 -12.507 -10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.373 -13.079 -12.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.130 -14.752 -12.434 1.00 0.00 H new ATOM 0 HG LEU A 52 34.473 -12.639 -11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.818 -12.784 -12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.351 -12.071 -13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 52 33.960 -13.762 -13.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 32.805 -14.452 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 52 33.945 -15.495 -11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.327 -14.957 -10.332 1.00 0.00 H new ATOM 816 N ALA A 53 36.817 -15.774 -9.983 1.00 0.00 N ATOM 817 CA ALA A 53 36.497 -16.789 -8.988 1.00 0.00 C ATOM 818 C ALA A 53 37.246 -16.536 -7.684 1.00 0.00 C ATOM 819 O ALA A 53 36.704 -16.734 -6.597 1.00 0.00 O ATOM 820 CB ALA A 53 36.821 -18.176 -9.525 1.00 0.00 C ATOM 0 H ALA A 53 37.233 -16.140 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 53 35.429 -16.733 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.577 -18.924 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.236 -18.364 -10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.883 -18.235 -9.764 1.00 0.00 H new ATOM 826 N ARG A 54 38.496 -16.099 -7.801 1.00 0.00 N ATOM 827 CA ARG A 54 39.320 -15.821 -6.631 1.00 0.00 C ATOM 828 C ARG A 54 38.791 -14.609 -5.869 1.00 0.00 C ATOM 829 O ARG A 54 39.019 -14.471 -4.667 1.00 0.00 O ATOM 830 CB ARG A 54 40.772 -15.579 -7.049 1.00 0.00 C ATOM 831 CG ARG A 54 41.441 -16.799 -7.661 1.00 0.00 C ATOM 832 CD ARG A 54 42.579 -16.405 -8.589 1.00 0.00 C ATOM 833 NE ARG A 54 43.515 -17.504 -8.805 1.00 0.00 N ATOM 834 CZ ARG A 54 44.373 -17.930 -7.885 1.00 0.00 C ATOM 835 NH1 ARG A 54 44.413 -17.352 -6.692 1.00 0.00 N ATOM 836 NH2 ARG A 54 45.194 -18.937 -8.157 1.00 0.00 N ATOM 0 H ARG A 54 38.960 -15.930 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 54 39.278 -16.689 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.803 -14.760 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.344 -15.260 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 54 41.823 -17.442 -6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.703 -17.380 -8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 54 42.171 -16.083 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.112 -15.553 -8.167 1.00 0.00 H new ATOM 0 HE ARG A 54 43.510 -17.970 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 43.784 -16.578 -6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 54 45.073 -17.681 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 54 45.166 -19.384 -9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 54 45.853 -19.263 -7.450 1.00 0.00 H new ATOM 850 N PHE A 55 38.084 -13.734 -6.576 1.00 0.00 N ATOM 851 CA PHE A 55 37.524 -12.534 -5.966 1.00 0.00 C ATOM 852 C PHE A 55 36.152 -12.820 -5.363 1.00 0.00 C ATOM 853 O PHE A 55 35.836 -12.360 -4.265 1.00 0.00 O ATOM 854 CB PHE A 55 37.414 -11.414 -7.003 1.00 0.00 C ATOM 855 CG PHE A 55 37.511 -10.037 -6.410 1.00 0.00 C ATOM 856 CD1 PHE A 55 38.624 -9.661 -5.676 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.488 -9.118 -6.587 1.00 0.00 C ATOM 858 CE1 PHE A 55 38.716 -8.395 -5.129 1.00 0.00 C ATOM 859 CE2 PHE A 55 36.575 -7.851 -6.044 1.00 0.00 C ATOM 860 CZ PHE A 55 37.690 -7.489 -5.313 1.00 0.00 C ATOM 0 H PHE A 55 37.885 -13.833 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 55 38.194 -12.216 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.203 -11.538 -7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.464 -11.508 -7.529 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.429 -10.365 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 55 35.613 -9.396 -7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.589 -8.115 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 55 35.772 -7.144 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 37.759 -6.499 -4.886 1.00 0.00 H new ATOM 989 N MET B 1 32.581 -12.625 -28.413 1.00 0.00 N ATOM 990 CA MET B 1 32.138 -12.213 -27.086 1.00 0.00 C ATOM 991 C MET B 1 31.753 -13.423 -26.241 1.00 0.00 C ATOM 992 O MET B 1 30.875 -14.200 -26.615 1.00 0.00 O ATOM 993 CB MET B 1 30.950 -11.255 -27.197 1.00 0.00 C ATOM 994 CG MET B 1 31.281 -9.957 -27.915 1.00 0.00 C ATOM 995 SD MET B 1 31.013 -8.503 -26.882 1.00 0.00 S ATOM 996 CE MET B 1 32.055 -8.889 -25.478 1.00 0.00 C ATOM 0 H1 MET B 1 33.172 -11.877 -28.829 1.00 0.00 H new ATOM 0 H2 MET B 1 33.135 -13.502 -28.337 1.00 0.00 H new ATOM 0 H3 MET B 1 31.753 -12.790 -29.020 1.00 0.00 H new ATOM 0 HA MET B 1 32.966 -11.700 -26.597 1.00 0.00 H new ATOM 0 HB2 MET B 1 30.138 -11.756 -27.725 1.00 0.00 H new ATOM 0 HB3 MET B 1 30.585 -11.024 -26.196 1.00 0.00 H new ATOM 0 HG2 MET B 1 32.321 -9.981 -28.239 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.669 -9.877 -28.814 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.499 -7.972 -25.091 1.00 0.00 H new ATOM 0 HE2 MET B 1 31.456 -9.359 -24.698 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.846 -9.572 -25.789 1.00 0.00 H new ATOM 1006 N LEU B 2 32.416 -13.576 -25.100 1.00 0.00 N ATOM 1007 CA LEU B 2 32.144 -14.692 -24.201 1.00 0.00 C ATOM 1008 C LEU B 2 31.710 -14.191 -22.827 1.00 0.00 C ATOM 1009 O LEU B 2 32.457 -13.486 -22.149 1.00 0.00 O ATOM 1010 CB LEU B 2 33.383 -15.578 -24.066 1.00 0.00 C ATOM 1011 CG LEU B 2 33.130 -17.086 -24.028 1.00 0.00 C ATOM 1012 CD1 LEU B 2 34.446 -17.848 -24.011 1.00 0.00 C ATOM 1013 CD2 LEU B 2 32.282 -17.454 -22.819 1.00 0.00 C ATOM 0 H LEU B 2 33.146 -12.941 -24.776 1.00 0.00 H new ATOM 0 HA LEU B 2 31.330 -15.279 -24.627 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.051 -15.363 -24.900 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.910 -15.295 -23.154 1.00 0.00 H new ATOM 0 HG LEU B 2 32.584 -17.366 -24.929 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.246 -18.919 -23.984 1.00 0.00 H new ATOM 0 HD12 LEU B 2 35.017 -17.608 -24.908 1.00 0.00 H new ATOM 0 HD13 LEU B 2 35.020 -17.564 -23.129 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.112 -18.531 -22.808 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.801 -17.159 -21.907 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.325 -16.936 -22.875 1.00 0.00 H new ATOM 1025 N MET B 3 30.500 -14.562 -22.422 1.00 0.00 N ATOM 1026 CA MET B 3 29.969 -14.153 -21.127 1.00 0.00 C ATOM 1027 C MET B 3 30.881 -14.616 -19.995 1.00 0.00 C ATOM 1028 O MET B 3 31.083 -15.815 -19.800 1.00 0.00 O ATOM 1029 CB MET B 3 28.561 -14.718 -20.927 1.00 0.00 C ATOM 1030 CG MET B 3 27.649 -13.806 -20.124 1.00 0.00 C ATOM 1031 SD MET B 3 26.437 -14.719 -19.149 1.00 0.00 S ATOM 1032 CE MET B 3 26.213 -13.608 -17.762 1.00 0.00 C ATOM 0 H MET B 3 29.869 -15.145 -22.972 1.00 0.00 H new ATOM 0 HA MET B 3 29.921 -13.064 -21.109 1.00 0.00 H new ATOM 0 HB2 MET B 3 28.110 -14.902 -21.902 1.00 0.00 H new ATOM 0 HB3 MET B 3 28.633 -15.682 -20.423 1.00 0.00 H new ATOM 0 HG2 MET B 3 28.253 -13.188 -19.460 1.00 0.00 H new ATOM 0 HG3 MET B 3 27.129 -13.130 -20.803 1.00 0.00 H new ATOM 0 HE1 MET B 3 26.712 -14.017 -16.884 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.642 -12.635 -18.002 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.149 -13.495 -17.555 1.00 0.00 H new ATOM 1042 N ILE B 4 31.427 -13.660 -19.252 1.00 0.00 N ATOM 1043 CA ILE B 4 32.316 -13.970 -18.140 1.00 0.00 C ATOM 1044 C ILE B 4 31.533 -14.485 -16.937 1.00 0.00 C ATOM 1045 O ILE B 4 31.879 -15.510 -16.348 1.00 0.00 O ATOM 1046 CB ILE B 4 33.138 -12.739 -17.714 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.104 -12.334 -18.829 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.896 -13.028 -16.428 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.990 -13.465 -19.302 1.00 0.00 C ATOM 0 H ILE B 4 31.269 -12.663 -19.400 1.00 0.00 H new ATOM 0 HA ILE B 4 32.996 -14.747 -18.488 1.00 0.00 H new ATOM 0 HB ILE B 4 32.455 -11.909 -17.531 1.00 0.00 H new ATOM 0 HG12 ILE B 4 33.531 -11.954 -19.675 1.00 0.00 H new ATOM 0 HG13 ILE B 4 34.731 -11.515 -18.476 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.472 -12.149 -16.140 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.189 -13.274 -15.636 1.00 0.00 H new ATOM 0 HG23 ILE B 4 34.572 -13.869 -16.585 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.648 -13.105 -20.093 1.00 0.00 H new ATOM 0 HD12 ILE B 4 35.590 -13.830 -18.468 1.00 0.00 H new ATOM 0 HD13 ILE B 4 34.371 -14.276 -19.686 1.00 0.00 H new ATOM 1061 N THR B 5 30.472 -13.768 -16.578 1.00 0.00 N ATOM 1062 CA THR B 5 29.638 -14.152 -15.446 1.00 0.00 C ATOM 1063 C THR B 5 28.440 -13.220 -15.305 1.00 0.00 C ATOM 1064 O THR B 5 28.227 -12.337 -16.136 1.00 0.00 O ATOM 1065 CB THR B 5 30.438 -14.143 -14.130 1.00 0.00 C ATOM 1066 OG1 THR B 5 29.704 -14.822 -13.106 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.736 -12.718 -13.687 1.00 0.00 C ATOM 0 H THR B 5 30.170 -12.918 -17.055 1.00 0.00 H new ATOM 0 HA THR B 5 29.286 -15.165 -15.642 1.00 0.00 H new ATOM 0 HB THR B 5 31.383 -14.658 -14.302 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.220 -14.813 -12.273 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.302 -12.737 -12.755 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.320 -12.213 -14.456 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.800 -12.182 -13.532 1.00 0.00 H new ATOM 1075 N SER B 6 27.660 -13.422 -14.248 1.00 0.00 N ATOM 1076 CA SER B 6 26.481 -12.601 -14.000 1.00 0.00 C ATOM 1077 C SER B 6 26.413 -12.175 -12.537 1.00 0.00 C ATOM 1078 O SER B 6 26.739 -12.950 -11.637 1.00 0.00 O ATOM 1079 CB SER B 6 25.211 -13.366 -14.380 1.00 0.00 C ATOM 1080 OG SER B 6 25.288 -14.718 -13.964 1.00 0.00 O ATOM 0 H SER B 6 27.823 -14.147 -13.550 1.00 0.00 H new ATOM 0 HA SER B 6 26.556 -11.706 -14.618 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.345 -12.890 -13.921 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.065 -13.322 -15.459 1.00 0.00 H new ATOM 0 HG SER B 6 24.464 -15.185 -14.216 1.00 0.00 H new ATOM 1086 N PHE B 7 25.986 -10.938 -12.306 1.00 0.00 N ATOM 1087 CA PHE B 7 25.876 -10.407 -10.953 1.00 0.00 C ATOM 1088 C PHE B 7 24.516 -9.750 -10.735 1.00 0.00 C ATOM 1089 O PHE B 7 23.818 -9.412 -11.691 1.00 0.00 O ATOM 1090 CB PHE B 7 26.992 -9.395 -10.686 1.00 0.00 C ATOM 1091 CG PHE B 7 28.327 -10.031 -10.425 1.00 0.00 C ATOM 1092 CD1 PHE B 7 28.646 -10.511 -9.164 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.264 -10.149 -11.439 1.00 0.00 C ATOM 1094 CE1 PHE B 7 29.874 -11.097 -8.920 1.00 0.00 C ATOM 1095 CE2 PHE B 7 30.493 -10.735 -11.201 1.00 0.00 C ATOM 1096 CZ PHE B 7 30.799 -11.208 -9.940 1.00 0.00 C ATOM 0 H PHE B 7 25.710 -10.284 -13.039 1.00 0.00 H new ATOM 0 HA PHE B 7 25.975 -11.238 -10.255 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.078 -8.727 -11.543 1.00 0.00 H new ATOM 0 HB3 PHE B 7 26.717 -8.781 -9.829 1.00 0.00 H new ATOM 0 HD1 PHE B 7 27.927 -10.426 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.031 -9.779 -12.427 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.110 -11.468 -7.933 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.214 -10.823 -12.001 1.00 0.00 H new ATOM 0 HZ PHE B 7 31.760 -11.664 -9.752 1.00 0.00 H new ATOM 1106 N ALA B 8 24.147 -9.572 -9.471 1.00 0.00 N ATOM 1107 CA ALA B 8 22.872 -8.954 -9.127 1.00 0.00 C ATOM 1108 C ALA B 8 23.081 -7.679 -8.317 1.00 0.00 C ATOM 1109 O ALA B 8 22.288 -7.358 -7.432 1.00 0.00 O ATOM 1110 CB ALA B 8 22.001 -9.935 -8.357 1.00 0.00 C ATOM 0 H ALA B 8 24.713 -9.847 -8.668 1.00 0.00 H new ATOM 0 HA ALA B 8 22.365 -8.685 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.052 -9.460 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA B 8 21.815 -10.816 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA B 8 22.511 -10.233 -7.441 1.00 0.00 H new ATOM 1116 N ASN B 9 24.153 -6.956 -8.625 1.00 0.00 N ATOM 1117 CA ASN B 9 24.466 -5.716 -7.924 1.00 0.00 C ATOM 1118 C ASN B 9 25.371 -4.827 -8.770 1.00 0.00 C ATOM 1119 O ASN B 9 26.302 -5.293 -9.428 1.00 0.00 O ATOM 1120 CB ASN B 9 25.139 -6.020 -6.584 1.00 0.00 C ATOM 1121 CG ASN B 9 24.222 -5.758 -5.404 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.398 -4.844 -5.435 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.362 -6.562 -4.357 1.00 0.00 N ATOM 0 H ASN B 9 24.819 -7.207 -9.355 1.00 0.00 H new ATOM 0 HA ASN B 9 23.532 -5.184 -7.742 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.458 -7.062 -6.569 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.037 -5.411 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.773 -6.435 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.059 -7.307 -4.376 1.00 0.00 H new ATOM 1130 N PRO B 10 25.094 -3.515 -8.754 1.00 0.00 N ATOM 1131 CA PRO B 10 25.873 -2.532 -9.514 1.00 0.00 C ATOM 1132 C PRO B 10 27.276 -2.342 -8.948 1.00 0.00 C ATOM 1133 O PRO B 10 28.261 -2.369 -9.686 1.00 0.00 O ATOM 1134 CB PRO B 10 25.058 -1.244 -9.367 1.00 0.00 C ATOM 1135 CG PRO B 10 24.298 -1.419 -8.097 1.00 0.00 C ATOM 1136 CD PRO B 10 24.000 -2.889 -7.993 1.00 0.00 C ATOM 0 HA PRO B 10 26.023 -2.842 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.706 -0.368 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.387 -1.102 -10.214 1.00 0.00 H new ATOM 0 HG2 PRO B 10 24.882 -1.078 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.378 -0.834 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO B 10 23.989 -3.224 -6.956 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.026 -3.132 -8.417 1.00 0.00 H new ATOM 1144 N ARG B 11 27.359 -2.150 -7.636 1.00 0.00 N ATOM 1145 CA ARG B 11 28.643 -1.955 -6.972 1.00 0.00 C ATOM 1146 C ARG B 11 29.611 -3.082 -7.320 1.00 0.00 C ATOM 1147 O ARG B 11 30.773 -2.838 -7.645 1.00 0.00 O ATOM 1148 CB ARG B 11 28.451 -1.883 -5.456 1.00 0.00 C ATOM 1149 CG ARG B 11 27.660 -3.048 -4.886 1.00 0.00 C ATOM 1150 CD ARG B 11 27.112 -2.726 -3.504 1.00 0.00 C ATOM 1151 NE ARG B 11 25.783 -2.124 -3.569 1.00 0.00 N ATOM 1152 CZ ARG B 11 24.920 -2.135 -2.559 1.00 0.00 C ATOM 1153 NH1 ARG B 11 25.246 -2.714 -1.412 1.00 0.00 N ATOM 1154 NH2 ARG B 11 23.730 -1.566 -2.695 1.00 0.00 N ATOM 0 H ARG B 11 26.553 -2.125 -7.011 1.00 0.00 H new ATOM 0 HA ARG B 11 29.067 -1.014 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG B 11 29.429 -1.849 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG B 11 27.941 -0.952 -5.207 1.00 0.00 H new ATOM 0 HG2 ARG B 11 26.837 -3.293 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG B 11 28.298 -3.930 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG B 11 27.068 -3.639 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG B 11 27.794 -2.046 -2.993 1.00 0.00 H new ATOM 0 HE ARG B 11 25.502 -1.670 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG B 11 26.161 -3.152 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG B 11 24.582 -2.721 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG B 11 23.476 -1.119 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG B 11 23.069 -1.575 -1.919 1.00 0.00 H new ATOM 1168 N VAL B 12 29.125 -4.317 -7.248 1.00 0.00 N ATOM 1169 CA VAL B 12 29.947 -5.482 -7.555 1.00 0.00 C ATOM 1170 C VAL B 12 30.332 -5.508 -9.030 1.00 0.00 C ATOM 1171 O VAL B 12 31.509 -5.618 -9.372 1.00 0.00 O ATOM 1172 CB VAL B 12 29.218 -6.792 -7.202 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.075 -7.995 -7.567 1.00 0.00 C ATOM 1174 CG2 VAL B 12 28.851 -6.816 -5.726 1.00 0.00 C ATOM 0 H VAL B 12 28.166 -4.537 -6.980 1.00 0.00 H new ATOM 0 HA VAL B 12 30.849 -5.403 -6.948 1.00 0.00 H new ATOM 0 HB VAL B 12 28.297 -6.843 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.544 -8.912 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.282 -7.983 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.014 -7.954 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.337 -7.749 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL B 12 29.757 -6.742 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.196 -5.975 -5.500 1.00 0.00 H new ATOM 1184 N ALA B 13 29.332 -5.407 -9.899 1.00 0.00 N ATOM 1185 CA ALA B 13 29.566 -5.417 -11.338 1.00 0.00 C ATOM 1186 C ALA B 13 30.648 -4.414 -11.725 1.00 0.00 C ATOM 1187 O ALA B 13 31.687 -4.789 -12.268 1.00 0.00 O ATOM 1188 CB ALA B 13 28.275 -5.117 -12.085 1.00 0.00 C ATOM 0 H ALA B 13 28.352 -5.317 -9.632 1.00 0.00 H new ATOM 0 HA ALA B 13 29.912 -6.412 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.465 -5.128 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.529 -5.873 -11.841 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.905 -4.135 -11.792 1.00 0.00 H new ATOM 1194 N GLN B 14 30.397 -3.140 -11.442 1.00 0.00 N ATOM 1195 CA GLN B 14 31.350 -2.085 -11.763 1.00 0.00 C ATOM 1196 C GLN B 14 32.704 -2.360 -11.118 1.00 0.00 C ATOM 1197 O GLN B 14 33.747 -2.209 -11.753 1.00 0.00 O ATOM 1198 CB GLN B 14 30.817 -0.728 -11.298 1.00 0.00 C ATOM 1199 CG GLN B 14 31.837 0.394 -11.399 1.00 0.00 C ATOM 1200 CD GLN B 14 32.311 0.625 -12.821 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.505 0.771 -13.740 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.625 0.660 -13.009 1.00 0.00 N ATOM 0 H GLN B 14 29.542 -2.814 -10.991 1.00 0.00 H new ATOM 0 HA GLN B 14 31.480 -2.065 -12.845 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.942 -0.467 -11.894 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.484 -0.813 -10.264 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.399 1.314 -11.012 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.694 0.159 -10.768 1.00 0.00 H new ATOM 0 HE21 GLN B 14 34.257 0.534 -12.218 1.00 0.00 H new ATOM 0 HE22 GLN B 14 34.002 0.813 -13.944 1.00 0.00 H new ATOM 1211 N ALA B 15 32.680 -2.764 -9.852 1.00 0.00 N ATOM 1212 CA ALA B 15 33.906 -3.062 -9.122 1.00 0.00 C ATOM 1213 C ALA B 15 34.731 -4.122 -9.844 1.00 0.00 C ATOM 1214 O ALA B 15 35.938 -3.964 -10.029 1.00 0.00 O ATOM 1215 CB ALA B 15 33.580 -3.518 -7.707 1.00 0.00 C ATOM 0 H ALA B 15 31.825 -2.892 -9.311 1.00 0.00 H new ATOM 0 HA ALA B 15 34.500 -2.149 -9.071 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.505 -3.737 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.039 -2.728 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA B 15 32.963 -4.416 -7.747 1.00 0.00 H new ATOM 1221 N PHE B 16 34.073 -5.203 -10.250 1.00 0.00 N ATOM 1222 CA PHE B 16 34.747 -6.290 -10.951 1.00 0.00 C ATOM 1223 C PHE B 16 35.409 -5.785 -12.230 1.00 0.00 C ATOM 1224 O PHE B 16 36.620 -5.916 -12.409 1.00 0.00 O ATOM 1225 CB PHE B 16 33.753 -7.404 -11.284 1.00 0.00 C ATOM 1226 CG PHE B 16 33.785 -8.547 -10.311 1.00 0.00 C ATOM 1227 CD1 PHE B 16 34.657 -9.608 -10.496 1.00 0.00 C ATOM 1228 CD2 PHE B 16 32.943 -8.561 -9.210 1.00 0.00 C ATOM 1229 CE1 PHE B 16 34.689 -10.661 -9.602 1.00 0.00 C ATOM 1230 CE2 PHE B 16 32.972 -9.612 -8.313 1.00 0.00 C ATOM 1231 CZ PHE B 16 33.845 -10.664 -8.509 1.00 0.00 C ATOM 0 H PHE B 16 33.074 -5.350 -10.106 1.00 0.00 H new ATOM 0 HA PHE B 16 35.521 -6.687 -10.294 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.746 -6.986 -11.308 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.965 -7.783 -12.284 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.319 -9.612 -11.349 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.257 -7.742 -9.051 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.374 -11.481 -9.758 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.312 -9.611 -7.458 1.00 0.00 H new ATOM 0 HZ PHE B 16 33.868 -11.487 -7.810 1.00 0.00 H new ATOM 1241 N VAL B 17 34.606 -5.206 -13.116 1.00 0.00 N ATOM 1242 CA VAL B 17 35.112 -4.680 -14.378 1.00 0.00 C ATOM 1243 C VAL B 17 36.165 -3.603 -14.142 1.00 0.00 C ATOM 1244 O VAL B 17 37.029 -3.368 -14.987 1.00 0.00 O ATOM 1245 CB VAL B 17 33.977 -4.093 -15.238 1.00 0.00 C ATOM 1246 CG1 VAL B 17 33.011 -5.188 -15.666 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.249 -2.994 -14.480 1.00 0.00 C ATOM 0 H VAL B 17 33.601 -5.089 -12.983 1.00 0.00 H new ATOM 0 HA VAL B 17 35.565 -5.517 -14.910 1.00 0.00 H new ATOM 0 HB VAL B 17 34.413 -3.655 -16.136 1.00 0.00 H new ATOM 0 HG11 VAL B 17 32.216 -4.755 -16.273 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.546 -5.937 -16.250 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.579 -5.657 -14.782 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.450 -2.590 -15.102 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.823 -3.404 -13.564 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.951 -2.199 -14.229 1.00 0.00 H new ATOM 1257 N ASP B 18 36.086 -2.950 -12.988 1.00 0.00 N ATOM 1258 CA ASP B 18 37.033 -1.898 -12.638 1.00 0.00 C ATOM 1259 C ASP B 18 38.433 -2.470 -12.439 1.00 0.00 C ATOM 1260 O ASP B 18 39.376 -2.089 -13.132 1.00 0.00 O ATOM 1261 CB ASP B 18 36.579 -1.174 -11.369 1.00 0.00 C ATOM 1262 CG ASP B 18 37.435 0.038 -11.056 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.458 0.976 -11.880 1.00 0.00 O ATOM 1264 OD2 ASP B 18 38.082 0.048 -9.988 1.00 0.00 O ATOM 0 H ASP B 18 35.376 -3.131 -12.279 1.00 0.00 H new ATOM 0 HA ASP B 18 37.066 -1.185 -13.462 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.541 -0.862 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.613 -1.866 -10.528 1.00 0.00 H new ATOM 1269 N TYR B 19 38.561 -3.387 -11.486 1.00 0.00 N ATOM 1270 CA TYR B 19 39.846 -4.010 -11.192 1.00 0.00 C ATOM 1271 C TYR B 19 40.346 -4.817 -12.387 1.00 0.00 C ATOM 1272 O TYR B 19 41.547 -5.034 -12.545 1.00 0.00 O ATOM 1273 CB TYR B 19 39.730 -4.914 -9.964 1.00 0.00 C ATOM 1274 CG TYR B 19 39.525 -6.374 -10.304 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.597 -7.177 -10.674 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.261 -6.948 -10.256 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.415 -8.511 -10.986 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.070 -8.281 -10.565 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.150 -9.058 -10.929 1.00 0.00 C ATOM 1280 OH TYR B 19 38.964 -10.386 -11.239 1.00 0.00 O ATOM 0 H TYR B 19 37.790 -3.715 -10.904 1.00 0.00 H new ATOM 0 HA TYR B 19 40.566 -3.218 -10.984 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.633 -4.813 -9.362 1.00 0.00 H new ATOM 0 HB3 TYR B 19 38.897 -4.572 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.589 -6.752 -10.718 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.413 -6.342 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.258 -9.122 -11.273 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.081 -8.712 -10.522 1.00 0.00 H new ATOM 0 HH TYR B 19 38.795 -10.477 -12.200 1.00 0.00 H new ATOM 1290 N MET B 20 39.414 -5.259 -13.225 1.00 0.00 N ATOM 1291 CA MET B 20 39.759 -6.041 -14.407 1.00 0.00 C ATOM 1292 C MET B 20 40.347 -5.149 -15.496 1.00 0.00 C ATOM 1293 O MET B 20 41.303 -5.529 -16.173 1.00 0.00 O ATOM 1294 CB MET B 20 38.525 -6.770 -14.940 1.00 0.00 C ATOM 1295 CG MET B 20 38.024 -7.871 -14.019 1.00 0.00 C ATOM 1296 SD MET B 20 38.500 -9.517 -14.579 1.00 0.00 S ATOM 1297 CE MET B 20 40.283 -9.419 -14.440 1.00 0.00 C ATOM 0 H MET B 20 38.415 -5.089 -13.108 1.00 0.00 H new ATOM 0 HA MET B 20 40.510 -6.776 -14.119 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.725 -6.046 -15.096 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.760 -7.201 -15.913 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.416 -7.706 -13.015 1.00 0.00 H new ATOM 0 HG3 MET B 20 36.938 -7.815 -13.950 1.00 0.00 H new ATOM 0 HE1 MET B 20 40.688 -10.411 -14.241 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.700 -9.037 -15.372 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.548 -8.749 -13.622 1.00 0.00 H new ATOM 1307 N ALA B 21 39.770 -3.963 -15.659 1.00 0.00 N ATOM 1308 CA ALA B 21 40.239 -3.018 -16.665 1.00 0.00 C ATOM 1309 C ALA B 21 41.621 -2.480 -16.311 1.00 0.00 C ATOM 1310 O ALA B 21 42.486 -2.341 -17.176 1.00 0.00 O ATOM 1311 CB ALA B 21 39.247 -1.874 -16.816 1.00 0.00 C ATOM 0 H ALA B 21 38.977 -3.634 -15.108 1.00 0.00 H new ATOM 0 HA ALA B 21 40.317 -3.545 -17.616 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.609 -1.175 -17.570 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.279 -2.270 -17.123 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.141 -1.356 -15.863 1.00 0.00 H new ATOM 1317 N THR B 22 41.823 -2.176 -15.032 1.00 0.00 N ATOM 1318 CA THR B 22 43.099 -1.651 -14.564 1.00 0.00 C ATOM 1319 C THR B 22 44.183 -2.721 -14.608 1.00 0.00 C ATOM 1320 O THR B 22 45.370 -2.420 -14.480 1.00 0.00 O ATOM 1321 CB THR B 22 42.989 -1.107 -13.127 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.218 -0.478 -12.746 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.660 -2.224 -12.149 1.00 0.00 C ATOM 0 H THR B 22 41.119 -2.285 -14.302 1.00 0.00 H new ATOM 0 HA THR B 22 43.370 -0.835 -15.234 1.00 0.00 H new ATOM 0 HB THR B 22 42.183 -0.374 -13.100 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.958 -0.870 -13.256 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.587 -1.815 -11.141 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.709 -2.681 -12.425 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.447 -2.978 -12.179 1.00 0.00 H new ATOM 1331 N GLN B 23 43.769 -3.970 -14.792 1.00 0.00 N ATOM 1332 CA GLN B 23 44.706 -5.085 -14.853 1.00 0.00 C ATOM 1333 C GLN B 23 45.105 -5.382 -16.295 1.00 0.00 C ATOM 1334 O GLN B 23 45.948 -6.240 -16.552 1.00 0.00 O ATOM 1335 CB GLN B 23 44.092 -6.332 -14.214 1.00 0.00 C ATOM 1336 CG GLN B 23 44.232 -6.371 -12.701 1.00 0.00 C ATOM 1337 CD GLN B 23 45.676 -6.472 -12.251 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.228 -7.566 -12.137 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.296 -5.327 -11.991 1.00 0.00 N ATOM 0 H GLN B 23 42.790 -4.235 -14.901 1.00 0.00 H new ATOM 0 HA GLN B 23 45.601 -4.805 -14.297 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.035 -6.380 -14.474 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.565 -7.218 -14.637 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.785 -5.473 -12.275 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.673 -7.221 -12.310 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.800 -4.442 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.268 -5.332 -11.683 1.00 0.00 H new ATOM 1348 N GLY B 24 44.492 -4.666 -17.233 1.00 0.00 N ATOM 1349 CA GLY B 24 44.797 -4.868 -18.637 1.00 0.00 C ATOM 1350 C GLY B 24 43.737 -5.687 -19.348 1.00 0.00 C ATOM 1351 O GLY B 24 43.942 -6.137 -20.475 1.00 0.00 O ATOM 0 H GLY B 24 43.790 -3.950 -17.045 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.894 -3.900 -19.128 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.761 -5.369 -18.728 1.00 0.00 H new ATOM 1355 N VAL B 25 42.600 -5.883 -18.687 1.00 0.00 N ATOM 1356 CA VAL B 25 41.505 -6.653 -19.262 1.00 0.00 C ATOM 1357 C VAL B 25 40.203 -5.860 -19.238 1.00 0.00 C ATOM 1358 O VAL B 25 39.653 -5.583 -18.172 1.00 0.00 O ATOM 1359 CB VAL B 25 41.297 -7.981 -18.510 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.426 -8.926 -19.324 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.637 -8.624 -18.186 1.00 0.00 C ATOM 0 H VAL B 25 42.414 -5.519 -17.753 1.00 0.00 H new ATOM 0 HA VAL B 25 41.778 -6.867 -20.295 1.00 0.00 H new ATOM 0 HB VAL B 25 40.784 -7.771 -17.572 1.00 0.00 H new ATOM 0 HG11 VAL B 25 40.290 -9.859 -18.776 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.454 -8.464 -19.500 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.908 -9.133 -20.279 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.472 -9.561 -17.655 1.00 0.00 H new ATOM 0 HG22 VAL B 25 43.179 -8.822 -19.111 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.222 -7.950 -17.560 1.00 0.00 H new ATOM 1371 N ILE B 26 39.716 -5.498 -20.420 1.00 0.00 N ATOM 1372 CA ILE B 26 38.478 -4.737 -20.535 1.00 0.00 C ATOM 1373 C ILE B 26 37.260 -5.647 -20.411 1.00 0.00 C ATOM 1374 O ILE B 26 37.196 -6.706 -21.037 1.00 0.00 O ATOM 1375 CB ILE B 26 38.404 -3.980 -21.874 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.586 -3.018 -22.006 1.00 0.00 C ATOM 1377 CG2 ILE B 26 37.087 -3.227 -21.985 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.626 -1.957 -20.928 1.00 0.00 C ATOM 0 H ILE B 26 40.160 -5.719 -21.311 1.00 0.00 H new ATOM 0 HA ILE B 26 38.475 -4.015 -19.718 1.00 0.00 H new ATOM 0 HB ILE B 26 38.456 -4.704 -22.687 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.514 -3.589 -21.977 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.541 -2.532 -22.981 1.00 0.00 H new ATOM 0 HG21 ILE B 26 37.050 -2.697 -22.937 1.00 0.00 H new ATOM 0 HG22 ILE B 26 36.258 -3.933 -21.930 1.00 0.00 H new ATOM 0 HG23 ILE B 26 37.008 -2.510 -21.167 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.490 -1.311 -21.085 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.715 -1.361 -20.971 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.702 -2.434 -19.951 1.00 0.00 H new ATOM 1390 N LEU B 27 36.295 -5.227 -19.601 1.00 0.00 N ATOM 1391 CA LEU B 27 35.077 -6.003 -19.395 1.00 0.00 C ATOM 1392 C LEU B 27 33.839 -5.156 -19.671 1.00 0.00 C ATOM 1393 O LEU B 27 33.903 -3.927 -19.680 1.00 0.00 O ATOM 1394 CB LEU B 27 35.030 -6.547 -17.966 1.00 0.00 C ATOM 1395 CG LEU B 27 35.757 -7.870 -17.727 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.085 -8.996 -18.498 1.00 0.00 C ATOM 1397 CD2 LEU B 27 37.222 -7.753 -18.120 1.00 0.00 C ATOM 0 H LEU B 27 36.332 -4.353 -19.076 1.00 0.00 H new ATOM 0 HA LEU B 27 35.086 -6.839 -20.094 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.454 -5.797 -17.299 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.986 -6.673 -17.681 1.00 0.00 H new ATOM 0 HG LEU B 27 35.704 -8.103 -16.664 1.00 0.00 H new ATOM 0 HD11 LEU B 27 35.617 -9.930 -18.315 1.00 0.00 H new ATOM 0 HD12 LEU B 27 34.051 -9.097 -18.168 1.00 0.00 H new ATOM 0 HD13 LEU B 27 35.105 -8.770 -19.564 1.00 0.00 H new ATOM 0 HD21 LEU B 27 37.723 -8.705 -17.943 1.00 0.00 H new ATOM 0 HD22 LEU B 27 37.296 -7.495 -19.176 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.698 -6.975 -17.523 1.00 0.00 H new ATOM 1409 N THR B 28 32.709 -5.822 -19.892 1.00 0.00 N ATOM 1410 CA THR B 28 31.456 -5.131 -20.166 1.00 0.00 C ATOM 1411 C THR B 28 30.352 -5.601 -19.226 1.00 0.00 C ATOM 1412 O THR B 28 30.311 -6.768 -18.836 1.00 0.00 O ATOM 1413 CB THR B 28 31.001 -5.349 -21.622 1.00 0.00 C ATOM 1414 OG1 THR B 28 32.055 -5.956 -22.379 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.602 -4.031 -22.267 1.00 0.00 C ATOM 0 H THR B 28 32.637 -6.839 -19.886 1.00 0.00 H new ATOM 0 HA THR B 28 31.639 -4.069 -20.005 1.00 0.00 H new ATOM 0 HB THR B 28 30.133 -6.009 -21.613 1.00 0.00 H new ATOM 0 HG1 THR B 28 32.182 -6.881 -22.080 1.00 0.00 H new ATOM 0 HG21 THR B 28 30.285 -4.210 -23.294 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.781 -3.585 -21.706 1.00 0.00 H new ATOM 0 HG23 THR B 28 31.454 -3.352 -22.264 1.00 0.00 H new ATOM 1423 N ILE B 29 29.459 -4.685 -18.866 1.00 0.00 N ATOM 1424 CA ILE B 29 28.354 -5.007 -17.972 1.00 0.00 C ATOM 1425 C ILE B 29 27.014 -4.636 -18.598 1.00 0.00 C ATOM 1426 O ILE B 29 26.901 -3.625 -19.291 1.00 0.00 O ATOM 1427 CB ILE B 29 28.494 -4.284 -16.620 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.758 -4.751 -15.895 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.263 -4.527 -15.759 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.738 -6.219 -15.531 1.00 0.00 C ATOM 0 H ILE B 29 29.479 -3.715 -19.180 1.00 0.00 H new ATOM 0 HA ILE B 29 28.388 -6.083 -17.804 1.00 0.00 H new ATOM 0 HB ILE B 29 28.579 -3.213 -16.805 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.624 -4.553 -16.527 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.885 -4.161 -14.987 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.377 -4.009 -14.807 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.379 -4.150 -16.273 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.150 -5.596 -15.580 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.665 -6.480 -15.020 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.892 -6.419 -14.873 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.642 -6.817 -16.437 1.00 0.00 H new ATOM 1442 N GLN B 30 26.001 -5.459 -18.348 1.00 0.00 N ATOM 1443 CA GLN B 30 24.668 -5.216 -18.887 1.00 0.00 C ATOM 1444 C GLN B 30 23.636 -5.133 -17.768 1.00 0.00 C ATOM 1445 O GLN B 30 23.225 -6.152 -17.213 1.00 0.00 O ATOM 1446 CB GLN B 30 24.283 -6.322 -19.871 1.00 0.00 C ATOM 1447 CG GLN B 30 24.484 -5.937 -21.328 1.00 0.00 C ATOM 1448 CD GLN B 30 23.188 -5.935 -22.115 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.676 -6.989 -22.493 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.649 -4.747 -22.365 1.00 0.00 N ATOM 0 H GLN B 30 26.078 -6.300 -17.776 1.00 0.00 H new ATOM 0 HA GLN B 30 24.685 -4.261 -19.413 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.874 -7.212 -19.654 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.238 -6.588 -19.715 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.937 -4.947 -21.379 1.00 0.00 H new ATOM 0 HG3 GLN B 30 25.184 -6.632 -21.790 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.108 -3.899 -22.033 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.776 -4.683 -22.889 1.00 0.00 H new ATOM 1459 N GLN B 31 23.221 -3.913 -17.442 1.00 0.00 N ATOM 1460 CA GLN B 31 22.236 -3.697 -16.388 1.00 0.00 C ATOM 1461 C GLN B 31 20.818 -3.804 -16.938 1.00 0.00 C ATOM 1462 O GLN B 31 20.321 -2.883 -17.587 1.00 0.00 O ATOM 1463 CB GLN B 31 22.443 -2.327 -15.741 1.00 0.00 C ATOM 1464 CG GLN B 31 22.472 -2.370 -14.222 1.00 0.00 C ATOM 1465 CD GLN B 31 21.801 -1.166 -13.591 1.00 0.00 C ATOM 1466 OE1 GLN B 31 20.735 -1.280 -12.986 1.00 0.00 O ATOM 1467 NE2 GLN B 31 22.425 -0.001 -13.728 1.00 0.00 N ATOM 0 H GLN B 31 23.551 -3.059 -17.892 1.00 0.00 H new ATOM 0 HA GLN B 31 22.372 -4.472 -15.633 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.379 -1.902 -16.102 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.644 -1.658 -16.062 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.977 -3.278 -13.879 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.507 -2.423 -13.884 1.00 0.00 H new ATOM 0 HE21 GLN B 31 23.307 0.048 -14.238 1.00 0.00 H new ATOM 0 HE22 GLN B 31 22.022 0.844 -13.324 1.00 0.00 H new ATOM 1524 N SER B 35 10.217 -3.224 -15.166 1.00 0.00 N ATOM 1525 CA SER B 35 9.332 -2.770 -14.099 1.00 0.00 C ATOM 1526 C SER B 35 7.996 -3.506 -14.153 1.00 0.00 C ATOM 1527 O SER B 35 7.097 -3.131 -14.905 1.00 0.00 O ATOM 1528 CB SER B 35 9.100 -1.262 -14.207 1.00 0.00 C ATOM 1529 OG SER B 35 10.255 -0.540 -13.816 1.00 0.00 O ATOM 0 HA SER B 35 9.811 -2.989 -13.145 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.836 -1.004 -15.232 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.257 -0.974 -13.578 1.00 0.00 H new ATOM 0 HG SER B 35 10.082 0.421 -13.895 1.00 0.00 H new ATOM 1535 N ASP B 36 7.874 -4.557 -13.348 1.00 0.00 N ATOM 1536 CA ASP B 36 6.649 -5.346 -13.301 1.00 0.00 C ATOM 1537 C ASP B 36 5.614 -4.690 -12.393 1.00 0.00 C ATOM 1538 O ASP B 36 5.915 -4.320 -11.258 1.00 0.00 O ATOM 1539 CB ASP B 36 6.949 -6.764 -12.812 1.00 0.00 C ATOM 1540 CG ASP B 36 5.731 -7.440 -12.213 1.00 0.00 C ATOM 1541 OD1 ASP B 36 4.627 -7.276 -12.773 1.00 0.00 O ATOM 1542 OD2 ASP B 36 5.882 -8.131 -11.184 1.00 0.00 O ATOM 0 H ASP B 36 8.609 -4.882 -12.720 1.00 0.00 H new ATOM 0 HA ASP B 36 6.240 -5.397 -14.310 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.320 -7.362 -13.645 1.00 0.00 H new ATOM 0 HB3 ASP B 36 7.744 -6.728 -12.067 1.00 0.00 H new ATOM 1547 N VAL B 37 4.394 -4.547 -12.901 1.00 0.00 N ATOM 1548 CA VAL B 37 3.314 -3.935 -12.135 1.00 0.00 C ATOM 1549 C VAL B 37 2.414 -4.996 -11.512 1.00 0.00 C ATOM 1550 O VAL B 37 1.918 -5.887 -12.201 1.00 0.00 O ATOM 1551 CB VAL B 37 2.459 -3.005 -13.016 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.601 -2.093 -12.153 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.345 -2.192 -13.948 1.00 0.00 C ATOM 0 H VAL B 37 4.129 -4.846 -13.839 1.00 0.00 H new ATOM 0 HA VAL B 37 3.779 -3.347 -11.344 1.00 0.00 H new ATOM 0 HB VAL B 37 1.796 -3.619 -13.626 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.004 -1.443 -12.792 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.940 -2.697 -11.531 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.243 -1.485 -11.516 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.725 -1.540 -14.563 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.034 -1.587 -13.359 1.00 0.00 H new ATOM 0 HG23 VAL B 37 3.912 -2.866 -14.591 1.00 0.00 H new ATOM 1563 N TRP B 38 2.205 -4.892 -10.204 1.00 0.00 N ATOM 1564 CA TRP B 38 1.363 -5.842 -9.487 1.00 0.00 C ATOM 1565 C TRP B 38 0.399 -5.119 -8.553 1.00 0.00 C ATOM 1566 O TRP B 38 0.759 -4.123 -7.923 1.00 0.00 O ATOM 1567 CB TRP B 38 2.227 -6.821 -8.690 1.00 0.00 C ATOM 1568 CG TRP B 38 3.583 -6.277 -8.352 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.535 -5.845 -9.230 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.137 -6.109 -7.042 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.647 -5.419 -8.546 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.428 -5.570 -7.202 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.667 -6.361 -5.750 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.253 -5.280 -6.119 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.487 -6.072 -4.676 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.767 -5.536 -4.865 1.00 0.00 C ATOM 0 H TRP B 38 2.607 -4.159 -9.619 1.00 0.00 H new ATOM 0 HA TRP B 38 0.780 -6.398 -10.221 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.709 -7.084 -7.768 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.345 -7.741 -9.263 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.429 -5.839 -10.305 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.498 -5.050 -8.970 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.681 -6.774 -5.594 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.241 -4.868 -6.263 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.135 -6.263 -3.673 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.383 -5.320 -4.004 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.826 -5.624 -8.467 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.843 -5.026 -7.609 1.00 0.00 C ATOM 1589 C LEU B 39 -2.140 -5.921 -6.411 1.00 0.00 C ATOM 1590 O LEU B 39 -1.958 -7.137 -6.472 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.126 -4.774 -8.403 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.341 -4.327 -7.591 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.095 -2.960 -6.971 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.587 -4.302 -8.465 1.00 0.00 C ATOM 0 H LEU B 39 -1.140 -6.447 -8.981 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.458 -4.075 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.919 -4.015 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.386 -5.689 -8.935 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.500 -5.045 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.971 -2.658 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.228 -3.010 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.909 -2.231 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.442 -3.981 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.438 -3.606 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.774 -5.300 -8.861 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.600 -5.312 -5.323 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.927 -6.055 -4.112 1.00 0.00 C ATOM 1608 C ALA B 40 -4.431 -6.280 -3.996 1.00 0.00 C ATOM 1609 O ALA B 40 -4.876 -7.295 -3.460 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.405 -5.321 -2.886 1.00 0.00 C ATOM 0 H ALA B 40 -2.755 -4.306 -5.255 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.444 -7.030 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.656 -5.887 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.322 -5.217 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.862 -4.333 -2.832 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.208 -5.328 -4.499 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.662 -5.423 -4.452 1.00 0.00 C ATOM 1618 C ASP B 41 -7.204 -6.102 -5.706 1.00 0.00 C ATOM 1619 O ASP B 41 -7.507 -5.442 -6.699 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.281 -4.032 -4.303 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.761 -4.089 -3.978 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.481 -4.877 -4.626 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.198 -3.346 -3.075 1.00 0.00 O ATOM 0 H ASP B 41 -4.855 -4.481 -4.944 1.00 0.00 H new ATOM 0 HA ASP B 41 -6.933 -6.028 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.760 -3.488 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.136 -3.472 -5.227 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.320 -7.425 -5.653 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.823 -8.193 -6.786 1.00 0.00 C ATOM 1630 C GLU B 42 -9.118 -7.589 -7.321 1.00 0.00 C ATOM 1631 O GLU B 42 -9.331 -7.522 -8.531 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.057 -9.650 -6.379 1.00 0.00 C ATOM 1633 CG GLU B 42 -6.777 -10.412 -6.082 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.037 -11.834 -5.625 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.180 -12.127 -5.217 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -6.097 -12.654 -5.676 1.00 0.00 O ATOM 0 H GLU B 42 -7.073 -7.987 -4.838 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.073 -8.160 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.697 -9.674 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.596 -10.159 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.154 -10.430 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.215 -9.884 -5.312 1.00 0.00 H new ATOM 1643 N SER B 43 -9.981 -7.151 -6.409 1.00 0.00 N ATOM 1644 CA SER B 43 -11.257 -6.556 -6.788 1.00 0.00 C ATOM 1645 C SER B 43 -11.050 -5.401 -7.764 1.00 0.00 C ATOM 1646 O SER B 43 -11.872 -5.169 -8.650 1.00 0.00 O ATOM 1647 CB SER B 43 -12.003 -6.063 -5.547 1.00 0.00 C ATOM 1648 OG SER B 43 -11.687 -6.854 -4.414 1.00 0.00 O ATOM 0 H SER B 43 -9.819 -7.197 -5.403 1.00 0.00 H new ATOM 0 HA SER B 43 -11.855 -7.323 -7.281 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.743 -5.023 -5.352 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.077 -6.095 -5.728 1.00 0.00 H new ATOM 0 HG SER B 43 -12.175 -6.517 -3.634 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.946 -4.681 -7.592 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.631 -3.550 -8.457 1.00 0.00 C ATOM 1656 C GLN B 44 -8.824 -4.000 -9.670 1.00 0.00 C ATOM 1657 O GLN B 44 -8.683 -3.260 -10.643 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.853 -2.488 -7.678 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.730 -1.379 -7.119 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.752 -0.882 -8.121 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -10.432 -0.096 -9.014 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.992 -1.338 -7.980 1.00 0.00 N ATOM 0 H GLN B 44 -9.256 -4.860 -6.863 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.569 -3.120 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.322 -2.969 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -8.099 -2.049 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -10.245 -1.742 -6.230 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.100 -0.547 -6.805 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -12.214 -1.988 -7.226 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.722 -1.038 -8.626 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.296 -5.218 -9.605 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.505 -5.768 -10.699 1.00 0.00 C ATOM 1673 C ALA B 45 -8.186 -5.529 -12.043 1.00 0.00 C ATOM 1674 O ALA B 45 -7.525 -5.245 -13.041 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.267 -7.255 -10.483 1.00 0.00 C ATOM 0 H ALA B 45 -8.402 -5.843 -8.806 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.543 -5.256 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.675 -7.652 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.731 -7.405 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.224 -7.774 -10.440 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.510 -5.646 -12.059 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.279 -5.444 -13.282 1.00 0.00 C ATOM 1683 C GLU B 46 -10.225 -3.984 -13.723 1.00 0.00 C ATOM 1684 O GLU B 46 -10.001 -3.688 -14.897 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.733 -5.871 -13.072 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.882 -7.294 -12.561 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.305 -7.622 -12.153 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.149 -6.701 -12.153 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.576 -8.799 -11.835 1.00 0.00 O ATOM 0 H GLU B 46 -10.072 -5.879 -11.240 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.836 -6.059 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.205 -5.189 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.271 -5.774 -14.015 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.561 -7.990 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.220 -7.440 -11.707 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.432 -3.077 -12.775 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.409 -1.649 -13.065 1.00 0.00 C ATOM 1698 C ARG B 47 -9.041 -1.223 -13.591 1.00 0.00 C ATOM 1699 O ARG B 47 -8.937 -0.600 -14.648 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.757 -0.845 -11.811 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.707 0.660 -12.018 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.367 1.236 -11.590 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.198 2.617 -12.035 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.872 3.641 -11.526 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.756 3.442 -10.558 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.662 4.869 -11.984 1.00 0.00 N ATOM 0 H ARG B 47 -10.618 -3.306 -11.799 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.155 -1.449 -13.835 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.756 -1.124 -11.477 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.066 -1.116 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.884 0.890 -13.069 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.507 1.134 -11.448 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.284 1.192 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.562 0.623 -11.996 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.525 2.805 -12.778 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.920 2.500 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.272 4.231 -10.169 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.982 5.027 -12.728 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.181 5.655 -11.592 1.00 0.00 H new ATOM 1720 N VAL B 48 -7.994 -1.563 -12.846 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.633 -1.217 -13.237 1.00 0.00 C ATOM 1722 C VAL B 48 -6.297 -1.778 -14.614 1.00 0.00 C ATOM 1723 O VAL B 48 -5.631 -1.124 -15.416 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.605 -1.742 -12.216 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.796 -1.062 -10.869 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.714 -3.253 -12.081 1.00 0.00 C ATOM 0 H VAL B 48 -8.063 -2.078 -11.968 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.580 -0.129 -13.269 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.604 -1.504 -12.577 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.062 -1.445 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.664 0.014 -10.983 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.800 -1.267 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.981 -3.607 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.716 -3.517 -11.742 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.523 -3.719 -13.048 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.764 -2.994 -14.881 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.512 -3.644 -16.162 1.00 0.00 C ATOM 1738 C ARG B 49 -7.090 -2.823 -17.311 1.00 0.00 C ATOM 1739 O ARG B 49 -6.395 -2.516 -18.279 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.115 -5.050 -16.171 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.126 -6.139 -15.791 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.828 -7.337 -15.170 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.363 -8.599 -15.738 1.00 0.00 N ATOM 1744 CZ ARG B 49 -6.583 -9.783 -15.177 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -7.258 -9.866 -14.039 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -6.127 -10.887 -15.755 1.00 0.00 N ATOM 0 H ARG B 49 -7.318 -3.548 -14.228 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.433 -3.718 -16.298 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -7.958 -5.079 -15.480 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.510 -5.260 -17.165 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.575 -6.457 -16.676 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.395 -5.739 -15.088 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.657 -7.339 -14.093 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.904 -7.246 -15.322 1.00 0.00 H new ATOM 0 HE ARG B 49 -5.841 -8.570 -16.614 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -7.610 -9.019 -13.592 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -7.425 -10.776 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.607 -10.827 -16.631 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -6.296 -11.796 -15.324 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.367 -2.471 -17.197 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.037 -1.685 -18.225 1.00 0.00 C ATOM 1762 C ALA B 50 -8.333 -0.350 -18.442 1.00 0.00 C ATOM 1763 O ALA B 50 -7.910 -0.035 -19.554 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.495 -1.461 -17.851 1.00 0.00 C ATOM 0 H ALA B 50 -8.958 -2.718 -16.403 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.995 -2.244 -19.160 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.984 -0.872 -18.628 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.998 -2.423 -17.755 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.549 -0.927 -16.903 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.212 0.430 -17.373 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.561 1.733 -17.448 1.00 0.00 C ATOM 1772 C GLU B 51 -6.146 1.601 -18.005 1.00 0.00 C ATOM 1773 O GLU B 51 -5.754 2.334 -18.914 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.518 2.387 -16.066 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.890 2.579 -15.441 1.00 0.00 C ATOM 1776 CD GLU B 51 -9.938 3.000 -16.452 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.890 4.162 -16.907 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -10.807 2.168 -16.788 1.00 0.00 O ATOM 0 H GLU B 51 -8.556 0.183 -16.445 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.142 2.363 -18.121 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.908 1.774 -15.402 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.026 3.356 -16.147 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.202 1.649 -14.966 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.825 3.332 -14.656 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.384 0.664 -17.453 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.012 0.435 -17.893 1.00 0.00 C ATOM 1787 C LEU B 52 -3.944 0.284 -19.409 1.00 0.00 C ATOM 1788 O LEU B 52 -3.150 0.947 -20.074 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.440 -0.812 -17.218 1.00 0.00 C ATOM 1790 CG LEU B 52 -1.973 -1.123 -17.515 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.343 -1.883 -16.358 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -1.847 -1.916 -18.808 1.00 0.00 C ATOM 0 H LEU B 52 -5.693 0.050 -16.699 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.416 1.301 -17.606 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.556 -0.703 -16.140 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.041 -1.671 -17.518 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.439 -0.180 -17.637 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.299 -2.095 -16.588 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.400 -1.279 -15.452 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.878 -2.820 -16.204 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -0.796 -2.128 -19.004 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.395 -2.853 -18.715 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.259 -1.335 -19.633 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.785 -0.593 -19.949 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.824 -0.829 -21.387 1.00 0.00 C ATOM 1806 C ALA B 53 -5.185 0.446 -22.142 1.00 0.00 C ATOM 1807 O ALA B 53 -4.632 0.726 -23.206 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.814 -1.937 -21.713 1.00 0.00 C ATOM 0 H ALA B 53 -5.448 -1.152 -19.412 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.830 -1.140 -21.707 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.833 -2.103 -22.790 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.511 -2.855 -21.210 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.808 -1.648 -21.373 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.116 1.214 -21.586 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.552 2.458 -22.209 1.00 0.00 C ATOM 1816 C ARG B 54 -5.431 3.493 -22.200 1.00 0.00 C ATOM 1817 O ARG B 54 -5.396 4.394 -23.038 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.779 3.013 -21.485 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.006 2.122 -21.594 1.00 0.00 C ATOM 1820 CD ARG B 54 -9.950 2.328 -20.419 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.303 1.866 -20.717 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.138 2.512 -21.523 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -11.761 3.640 -22.109 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.354 2.029 -21.746 1.00 0.00 N ATOM 0 H ARG B 54 -6.583 0.997 -20.706 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.816 2.243 -23.244 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.536 3.155 -20.432 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.017 3.996 -21.892 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.531 2.335 -22.525 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.696 1.078 -21.635 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -9.568 1.794 -19.549 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.977 3.386 -20.157 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.624 1.001 -20.283 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.827 4.014 -21.941 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.405 4.133 -22.727 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.648 1.161 -21.298 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.994 2.526 -22.365 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.516 3.358 -21.246 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.394 4.282 -21.126 1.00 0.00 C ATOM 1840 C PHE B 55 -2.223 3.831 -21.993 1.00 0.00 C ATOM 1841 O PHE B 55 -1.596 4.639 -22.679 1.00 0.00 O ATOM 1842 CB PHE B 55 -2.949 4.391 -19.666 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.353 5.725 -19.318 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.072 6.893 -19.518 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.074 5.812 -18.793 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.526 8.122 -19.200 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.524 7.038 -18.472 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.250 8.195 -18.677 1.00 0.00 C ATOM 0 H PHE B 55 -4.529 2.618 -20.545 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.724 5.261 -21.472 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -3.806 4.205 -19.019 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.217 3.610 -19.458 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.070 6.842 -19.927 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.500 4.911 -18.633 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -3.097 9.025 -19.360 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.473 7.092 -18.061 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.821 9.154 -18.429 1.00 0.00 H new ATOM 1858 N LEU B 56 -1.932 2.535 -21.958 1.00 0.00 N ATOM 1859 CA LEU B 56 -0.836 1.975 -22.740 1.00 0.00 C ATOM 1860 C LEU B 56 -1.027 2.258 -24.226 1.00 0.00 C ATOM 1861 O LEU B 56 -0.059 2.450 -24.961 1.00 0.00 O ATOM 1862 CB LEU B 56 -0.734 0.467 -22.505 1.00 0.00 C ATOM 1863 CG LEU B 56 0.303 0.016 -21.476 1.00 0.00 C ATOM 1864 CD1 LEU B 56 0.250 -1.493 -21.290 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.698 0.455 -21.897 1.00 0.00 C ATOM 0 H LEU B 56 -2.440 1.852 -21.396 1.00 0.00 H new ATOM 0 HA LEU B 56 0.089 2.450 -22.415 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -1.711 0.102 -22.190 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.505 -0.014 -23.456 1.00 0.00 H new ATOM 0 HG LEU B 56 0.068 0.487 -20.522 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.995 -1.795 -20.554 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -0.742 -1.782 -20.942 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.459 -1.984 -22.240 1.00 0.00 H new ATOM 0 HD21 LEU B 56 2.423 0.125 -21.153 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.943 0.013 -22.863 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.729 1.542 -21.977 1.00 0.00 H new