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 180:sc= -1.2 USER MOD Set 1.2: B 20 MET CE :methyl 132:sc= -2.71! (180deg=-5.16!) USER MOD Set 2.1: A 19 TYR OH : rot -86:sc= 0.4 USER MOD Set 2.2: A 20 MET CE :methyl 149:sc= -2.56 (180deg=-4.09!) USER MOD Single : A 1 MET CE :methyl 144:sc= -3.87 (180deg=-5.68!) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.000708 (180deg=-0.189) USER MOD Single : A 3 MET CE :methyl -119:sc= -2.87 (180deg=-7.37!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00701 USER MOD Single : A 9 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.2!) USER MOD Single : A 14 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.21) USER MOD Single : A 22 THR OG1 : rot -35:sc= 0.284 USER MOD Single : A 23 GLN : amide:sc= -0.779 K(o=-0.78,f=-4.2!) USER MOD Single : A 28 THR OG1 : rot 70:sc= 0.211 USER MOD Single : A 30 GLN : amide:sc= -0.0915 X(o=-0.092,f=-0.48) USER MOD Single : A 31 GLN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 35 SER OG : rot 16:sc= 0.38 USER MOD Single : A 43 SER OG : rot 91:sc= 0.0722 USER MOD Single : A 44 GLN : amide:sc= -2.07 K(o=-2.1,f=-8.1!) USER MOD Single : B 1 MET CE :methyl 141:sc= -4.09 (180deg=-6.01!) USER MOD Single : B 1 MET N :NH3+ -158:sc= 0 (180deg=-0.199) USER MOD Single : B 3 MET CE :methyl -120:sc= -2.48 (180deg=-6.71!) USER MOD Single : B 5 THR OG1 : rot -150:sc= 0.0156 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.3!) USER MOD Single : B 14 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.21) USER MOD Single : B 22 THR OG1 : rot -27:sc= 0.251 USER MOD Single : B 23 GLN : amide:sc= -0.703 K(o=-0.7,f=-3.6!) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.336 USER MOD Single : B 30 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.66) USER MOD Single : B 31 GLN : amide:sc= -0.109 X(o=-0.11,f=-2.8e-05) USER MOD Single : B 35 SER OG : rot 29:sc= 0.348 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0373 USER MOD Single : B 44 GLN : amide:sc= -2.33 K(o=-2.3,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.102 -10.927 -4.026 1.00 0.00 N ATOM 2 CA MET A 1 -1.417 -10.079 -4.994 1.00 0.00 C ATOM 3 C MET A 1 -1.558 -10.642 -6.405 1.00 0.00 C ATOM 4 O MET A 1 -1.182 -11.785 -6.669 1.00 0.00 O ATOM 5 CB MET A 1 0.064 -9.948 -4.631 1.00 0.00 C ATOM 6 CG MET A 1 0.302 -9.294 -3.279 1.00 0.00 C ATOM 7 SD MET A 1 1.332 -7.819 -3.393 1.00 0.00 S ATOM 8 CE MET A 1 0.405 -6.850 -4.581 1.00 0.00 C ATOM 0 H1 MET A 1 -2.305 -10.378 -3.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.994 -11.271 -4.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.496 -11.737 -3.784 1.00 0.00 H new ATOM 0 HA MET A 1 -1.879 -9.092 -4.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.519 -10.939 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.569 -9.365 -5.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.657 -9.029 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.776 -10.013 -2.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.470 -5.794 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.819 -7.003 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.639 -7.162 -4.570 1.00 0.00 H new ATOM 18 N LEU A 2 -2.102 -9.833 -7.308 1.00 0.00 N ATOM 19 CA LEU A 2 -2.293 -10.250 -8.692 1.00 0.00 C ATOM 20 C LEU A 2 -1.536 -9.332 -9.647 1.00 0.00 C ATOM 21 O LEU A 2 -1.746 -8.120 -9.654 1.00 0.00 O ATOM 22 CB LEU A 2 -3.782 -10.255 -9.043 1.00 0.00 C ATOM 23 CG LEU A 2 -4.268 -11.432 -9.890 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.787 -11.443 -9.965 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.664 -11.371 -11.285 1.00 0.00 C ATOM 0 H LEU A 2 -2.418 -8.885 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.898 -11.260 -8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.354 -10.241 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.013 -9.331 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.941 -12.357 -9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.115 -12.287 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.200 -11.535 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.136 -10.514 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.021 -12.216 -11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.960 -10.441 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.577 -11.412 -11.213 1.00 0.00 H new ATOM 37 N MET A 3 -0.658 -9.920 -10.453 1.00 0.00 N ATOM 38 CA MET A 3 0.127 -9.155 -11.415 1.00 0.00 C ATOM 39 C MET A 3 -0.781 -8.386 -12.369 1.00 0.00 C ATOM 40 O MET A 3 -1.664 -8.966 -13.002 1.00 0.00 O ATOM 41 CB MET A 3 1.050 -10.084 -12.207 1.00 0.00 C ATOM 42 CG MET A 3 2.396 -9.463 -12.540 1.00 0.00 C ATOM 43 SD MET A 3 3.038 -10.011 -14.134 1.00 0.00 S ATOM 44 CE MET A 3 4.084 -8.624 -14.572 1.00 0.00 C ATOM 0 H MET A 3 -0.472 -10.923 -10.459 1.00 0.00 H new ATOM 0 HA MET A 3 0.734 -8.438 -10.862 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.212 -10.997 -11.634 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.553 -10.373 -13.133 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.300 -8.377 -12.545 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.112 -9.716 -11.758 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.727 -8.178 -15.500 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.053 -7.880 -13.776 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.109 -8.969 -14.706 1.00 0.00 H new ATOM 54 N ILE A 4 -0.559 -7.080 -12.467 1.00 0.00 N ATOM 55 CA ILE A 4 -1.357 -6.233 -13.345 1.00 0.00 C ATOM 56 C ILE A 4 -0.777 -6.202 -14.755 1.00 0.00 C ATOM 57 O ILE A 4 -1.503 -6.340 -15.740 1.00 0.00 O ATOM 58 CB ILE A 4 -1.449 -4.793 -12.807 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.180 -4.772 -11.464 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.153 -3.896 -13.814 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.491 -5.526 -11.478 1.00 0.00 C ATOM 0 H ILE A 4 0.167 -6.585 -11.949 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.357 -6.665 -13.376 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.439 -4.413 -12.654 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.532 -5.201 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.368 -3.737 -11.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.211 -2.881 -13.420 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.594 -3.891 -14.750 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.160 -4.272 -13.995 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.954 -5.469 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.157 -5.084 -12.218 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.308 -6.570 -11.733 1.00 0.00 H new ATOM 73 N THR A 5 0.537 -6.022 -14.845 1.00 0.00 N ATOM 74 CA THR A 5 1.215 -5.973 -16.134 1.00 0.00 C ATOM 75 C THR A 5 2.725 -5.864 -15.956 1.00 0.00 C ATOM 76 O THR A 5 3.230 -5.876 -14.834 1.00 0.00 O ATOM 77 CB THR A 5 0.722 -4.787 -16.984 1.00 0.00 C ATOM 78 OG1 THR A 5 1.169 -4.934 -18.336 1.00 0.00 O ATOM 79 CG2 THR A 5 1.228 -3.469 -16.418 1.00 0.00 C ATOM 0 H THR A 5 1.153 -5.908 -14.040 1.00 0.00 H new ATOM 0 HA THR A 5 0.979 -6.903 -16.651 1.00 0.00 H new ATOM 0 HB THR A 5 -0.368 -4.780 -16.961 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.850 -4.177 -18.870 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.867 -2.646 -17.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.862 -3.346 -15.399 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.318 -3.469 -16.415 1.00 0.00 H new ATOM 87 N SER A 6 3.441 -5.756 -17.071 1.00 0.00 N ATOM 88 CA SER A 6 4.895 -5.648 -17.039 1.00 0.00 C ATOM 89 C SER A 6 5.379 -4.558 -17.990 1.00 0.00 C ATOM 90 O SER A 6 4.960 -4.495 -19.146 1.00 0.00 O ATOM 91 CB SER A 6 5.536 -6.986 -17.409 1.00 0.00 C ATOM 92 OG SER A 6 5.566 -7.165 -18.815 1.00 0.00 O ATOM 0 H SER A 6 3.038 -5.741 -18.008 1.00 0.00 H new ATOM 0 HA SER A 6 5.193 -5.380 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.550 -7.029 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.978 -7.800 -16.947 1.00 0.00 H new ATOM 0 HG SER A 6 5.982 -8.027 -19.026 1.00 0.00 H new ATOM 98 N PHE A 7 6.266 -3.701 -17.495 1.00 0.00 N ATOM 99 CA PHE A 7 6.809 -2.612 -18.300 1.00 0.00 C ATOM 100 C PHE A 7 8.330 -2.700 -18.380 1.00 0.00 C ATOM 101 O PHE A 7 8.953 -3.505 -17.688 1.00 0.00 O ATOM 102 CB PHE A 7 6.395 -1.261 -17.713 1.00 0.00 C ATOM 103 CG PHE A 7 5.012 -0.832 -18.111 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.792 -0.190 -19.319 1.00 0.00 C ATOM 105 CD2 PHE A 7 3.931 -1.071 -17.277 1.00 0.00 C ATOM 106 CE1 PHE A 7 3.520 0.205 -19.689 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.657 -0.678 -17.642 1.00 0.00 C ATOM 108 CZ PHE A 7 2.452 -0.038 -18.848 1.00 0.00 C ATOM 0 H PHE A 7 6.624 -3.739 -16.541 1.00 0.00 H new ATOM 0 HA PHE A 7 6.405 -2.702 -19.308 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.451 -1.314 -16.626 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.108 -0.501 -18.033 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.624 0.004 -19.979 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.086 -1.570 -16.332 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.362 0.703 -20.634 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.823 -0.871 -16.984 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.458 0.272 -19.133 1.00 0.00 H new ATOM 118 N ALA A 8 8.921 -1.867 -19.230 1.00 0.00 N ATOM 119 CA ALA A 8 10.368 -1.849 -19.400 1.00 0.00 C ATOM 120 C ALA A 8 10.927 -0.444 -19.202 1.00 0.00 C ATOM 121 O ALA A 8 11.766 0.015 -19.976 1.00 0.00 O ATOM 122 CB ALA A 8 10.745 -2.380 -20.776 1.00 0.00 C ATOM 0 H ALA A 8 8.420 -1.196 -19.812 1.00 0.00 H new ATOM 0 HA ALA A 8 10.806 -2.496 -18.640 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.829 -2.361 -20.889 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.387 -3.404 -20.881 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.289 -1.756 -21.544 1.00 0.00 H new ATOM 128 N ASN A 9 10.457 0.233 -18.160 1.00 0.00 N ATOM 129 CA ASN A 9 10.909 1.587 -17.861 1.00 0.00 C ATOM 130 C ASN A 9 10.302 2.087 -16.553 1.00 0.00 C ATOM 131 O ASN A 9 9.143 1.820 -16.236 1.00 0.00 O ATOM 132 CB ASN A 9 10.538 2.535 -19.003 1.00 0.00 C ATOM 133 CG ASN A 9 11.721 2.851 -19.899 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.805 3.183 -19.420 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.515 2.749 -21.207 1.00 0.00 N ATOM 0 H ASN A 9 9.763 -0.134 -17.508 1.00 0.00 H new ATOM 0 HA ASN A 9 11.993 1.565 -17.753 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.743 2.087 -19.600 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.142 3.462 -18.588 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.273 2.949 -21.860 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.599 2.470 -21.559 1.00 0.00 H new ATOM 142 N PRO A 10 11.103 2.831 -15.776 1.00 0.00 N ATOM 143 CA PRO A 10 10.667 3.385 -14.491 1.00 0.00 C ATOM 144 C PRO A 10 9.635 4.495 -14.659 1.00 0.00 C ATOM 145 O PRO A 10 8.618 4.520 -13.966 1.00 0.00 O ATOM 146 CB PRO A 10 11.958 3.943 -13.888 1.00 0.00 C ATOM 147 CG PRO A 10 12.830 4.231 -15.061 1.00 0.00 C ATOM 148 CD PRO A 10 12.496 3.189 -16.092 1.00 0.00 C ATOM 0 HA PRO A 10 10.179 2.635 -13.869 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.766 4.845 -13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.424 3.223 -13.215 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.647 5.234 -15.446 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.883 4.183 -14.785 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.590 3.581 -17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.159 2.326 -16.021 1.00 0.00 H new ATOM 156 N ARG A 11 9.903 5.411 -15.584 1.00 0.00 N ATOM 157 CA ARG A 11 8.998 6.525 -15.842 1.00 0.00 C ATOM 158 C ARG A 11 7.571 6.027 -16.053 1.00 0.00 C ATOM 159 O ARG A 11 6.637 6.490 -15.398 1.00 0.00 O ATOM 160 CB ARG A 11 9.462 7.313 -17.068 1.00 0.00 C ATOM 161 CG ARG A 11 10.907 7.776 -16.983 1.00 0.00 C ATOM 162 CD ARG A 11 11.126 9.062 -17.765 1.00 0.00 C ATOM 163 NE ARG A 11 12.543 9.394 -17.886 1.00 0.00 N ATOM 164 CZ ARG A 11 13.286 9.826 -16.873 1.00 0.00 C ATOM 165 NH1 ARG A 11 12.749 9.978 -15.670 1.00 0.00 N ATOM 166 NH2 ARG A 11 14.569 10.108 -17.062 1.00 0.00 N ATOM 0 H ARG A 11 10.740 5.404 -16.167 1.00 0.00 H new ATOM 0 HA ARG A 11 9.011 7.181 -14.972 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.340 6.693 -17.956 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.818 8.183 -17.196 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.179 7.933 -15.939 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.563 6.997 -17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.691 8.960 -18.759 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.603 9.881 -17.271 1.00 0.00 H new ATOM 0 HE ARG A 11 12.987 9.288 -18.798 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.763 9.763 -15.521 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.322 10.310 -14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.986 9.993 -17.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.138 10.440 -16.283 1.00 0.00 H new ATOM 180 N VAL A 12 7.410 5.082 -16.973 1.00 0.00 N ATOM 181 CA VAL A 12 6.097 4.521 -17.271 1.00 0.00 C ATOM 182 C VAL A 12 5.495 3.849 -16.042 1.00 0.00 C ATOM 183 O VAL A 12 4.373 4.155 -15.642 1.00 0.00 O ATOM 184 CB VAL A 12 6.172 3.496 -18.418 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.789 2.949 -18.738 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.805 4.122 -19.652 1.00 0.00 C ATOM 0 H VAL A 12 8.172 4.688 -17.525 1.00 0.00 H new ATOM 0 HA VAL A 12 5.460 5.351 -17.577 1.00 0.00 H new ATOM 0 HB VAL A 12 6.800 2.665 -18.097 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.863 2.226 -19.551 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.377 2.461 -17.855 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.135 3.767 -19.038 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.850 3.383 -20.452 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.206 4.973 -19.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.814 4.459 -19.412 1.00 0.00 H new ATOM 196 N ALA A 13 6.250 2.931 -15.447 1.00 0.00 N ATOM 197 CA ALA A 13 5.792 2.217 -14.262 1.00 0.00 C ATOM 198 C ALA A 13 5.250 3.183 -13.214 1.00 0.00 C ATOM 199 O ALA A 13 4.073 3.133 -12.861 1.00 0.00 O ATOM 200 CB ALA A 13 6.922 1.382 -13.679 1.00 0.00 C ATOM 0 H ALA A 13 7.181 2.665 -15.766 1.00 0.00 H new ATOM 0 HA ALA A 13 4.981 1.553 -14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.565 0.854 -12.794 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.260 0.659 -14.421 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.751 2.034 -13.403 1.00 0.00 H new ATOM 206 N GLN A 14 6.118 4.061 -12.721 1.00 0.00 N ATOM 207 CA GLN A 14 5.726 5.037 -11.712 1.00 0.00 C ATOM 208 C GLN A 14 4.486 5.808 -12.153 1.00 0.00 C ATOM 209 O GLN A 14 3.533 5.960 -11.389 1.00 0.00 O ATOM 210 CB GLN A 14 6.875 6.010 -11.439 1.00 0.00 C ATOM 211 CG GLN A 14 6.580 7.003 -10.327 1.00 0.00 C ATOM 212 CD GLN A 14 6.265 6.326 -9.008 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.935 5.372 -8.611 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.241 6.817 -8.320 1.00 0.00 N ATOM 0 H GLN A 14 7.096 4.116 -13.004 1.00 0.00 H new ATOM 0 HA GLN A 14 5.490 4.498 -10.795 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.768 5.441 -11.179 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.101 6.558 -12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.438 7.662 -10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.738 7.630 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.713 7.609 -8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.982 6.402 -7.425 1.00 0.00 H new ATOM 223 N ALA A 15 4.505 6.292 -13.390 1.00 0.00 N ATOM 224 CA ALA A 15 3.382 7.046 -13.933 1.00 0.00 C ATOM 225 C ALA A 15 2.072 6.287 -13.750 1.00 0.00 C ATOM 226 O ALA A 15 1.142 6.779 -13.111 1.00 0.00 O ATOM 227 CB ALA A 15 3.614 7.352 -15.405 1.00 0.00 C ATOM 0 H ALA A 15 5.286 6.175 -14.035 1.00 0.00 H new ATOM 0 HA ALA A 15 3.308 7.985 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.767 7.915 -15.797 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.524 7.941 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.717 6.419 -15.959 1.00 0.00 H new ATOM 233 N PHE A 16 2.005 5.086 -14.314 1.00 0.00 N ATOM 234 CA PHE A 16 0.808 4.259 -14.214 1.00 0.00 C ATOM 235 C PHE A 16 0.341 4.152 -12.765 1.00 0.00 C ATOM 236 O PHE A 16 -0.814 4.441 -12.450 1.00 0.00 O ATOM 237 CB PHE A 16 1.077 2.863 -14.779 1.00 0.00 C ATOM 238 CG PHE A 16 0.750 2.735 -16.239 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.604 3.250 -17.202 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.411 2.099 -16.650 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.306 3.133 -18.546 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.713 1.979 -17.993 1.00 0.00 C ATOM 243 CZ PHE A 16 0.146 2.497 -18.942 1.00 0.00 C ATOM 0 H PHE A 16 2.766 4.663 -14.845 1.00 0.00 H new ATOM 0 HA PHE A 16 0.019 4.733 -14.798 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.127 2.614 -14.627 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.492 2.134 -14.218 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.513 3.748 -16.898 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.087 1.693 -15.912 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.980 3.539 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.620 1.480 -18.300 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.089 2.405 -19.992 1.00 0.00 H new ATOM 253 N VAL A 17 1.247 3.734 -11.887 1.00 0.00 N ATOM 254 CA VAL A 17 0.929 3.589 -10.471 1.00 0.00 C ATOM 255 C VAL A 17 0.522 4.925 -9.859 1.00 0.00 C ATOM 256 O VAL A 17 -0.174 4.968 -8.844 1.00 0.00 O ATOM 257 CB VAL A 17 2.124 3.019 -9.683 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.827 3.014 -8.192 1.00 0.00 C ATOM 259 CG2 VAL A 17 2.465 1.620 -10.172 1.00 0.00 C ATOM 0 H VAL A 17 2.207 3.490 -12.131 1.00 0.00 H new ATOM 0 HA VAL A 17 0.093 2.892 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 17 2.989 3.660 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.682 2.608 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.636 4.033 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.949 2.397 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.311 1.232 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.604 0.966 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.724 1.658 -11.230 1.00 0.00 H new ATOM 269 N ASP A 18 0.959 6.013 -10.484 1.00 0.00 N ATOM 270 CA ASP A 18 0.638 7.351 -10.002 1.00 0.00 C ATOM 271 C ASP A 18 -0.843 7.658 -10.196 1.00 0.00 C ATOM 272 O ASP A 18 -1.563 7.928 -9.233 1.00 0.00 O ATOM 273 CB ASP A 18 1.488 8.395 -10.729 1.00 0.00 C ATOM 274 CG ASP A 18 1.585 9.699 -9.962 1.00 0.00 C ATOM 275 OD1 ASP A 18 0.715 9.947 -9.102 1.00 0.00 O ATOM 276 OD2 ASP A 18 2.533 10.471 -10.221 1.00 0.00 O ATOM 0 H ASP A 18 1.536 5.994 -11.325 1.00 0.00 H new ATOM 0 HA ASP A 18 0.861 7.390 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.490 7.996 -10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.060 8.587 -11.713 1.00 0.00 H new ATOM 281 N TYR A 19 -1.292 7.617 -11.445 1.00 0.00 N ATOM 282 CA TYR A 19 -2.687 7.894 -11.765 1.00 0.00 C ATOM 283 C TYR A 19 -3.608 6.853 -11.136 1.00 0.00 C ATOM 284 O TYR A 19 -4.787 7.114 -10.898 1.00 0.00 O ATOM 285 CB TYR A 19 -2.889 7.919 -13.281 1.00 0.00 C ATOM 286 CG TYR A 19 -3.358 6.599 -13.852 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.701 6.245 -13.822 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.458 5.707 -14.421 1.00 0.00 C ATOM 289 CE1 TYR A 19 -5.134 5.040 -14.341 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.881 4.501 -14.944 1.00 0.00 C ATOM 291 CZ TYR A 19 -4.220 4.171 -14.901 1.00 0.00 C ATOM 292 OH TYR A 19 -4.647 2.971 -15.421 1.00 0.00 O ATOM 0 H TYR A 19 -0.710 7.395 -12.253 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.940 8.872 -11.355 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.617 8.692 -13.529 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.951 8.199 -13.759 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.419 6.923 -13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.409 5.961 -14.455 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.182 4.780 -14.309 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.168 3.820 -15.384 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.680 2.299 -14.708 1.00 0.00 H new ATOM 302 N MET A 20 -3.060 5.673 -10.867 1.00 0.00 N ATOM 303 CA MET A 20 -3.831 4.592 -10.263 1.00 0.00 C ATOM 304 C MET A 20 -4.024 4.832 -8.769 1.00 0.00 C ATOM 305 O MET A 20 -5.106 4.603 -8.229 1.00 0.00 O ATOM 306 CB MET A 20 -3.132 3.250 -10.490 1.00 0.00 C ATOM 307 CG MET A 20 -3.099 2.821 -11.948 1.00 0.00 C ATOM 308 SD MET A 20 -4.381 1.618 -12.347 1.00 0.00 S ATOM 309 CE MET A 20 -5.858 2.575 -12.016 1.00 0.00 C ATOM 0 H MET A 20 -2.085 5.441 -11.057 1.00 0.00 H new ATOM 0 HA MET A 20 -4.811 4.568 -10.739 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.110 3.314 -10.115 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.639 2.482 -9.905 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.219 3.698 -12.584 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.122 2.394 -12.175 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.659 2.250 -12.680 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.163 2.427 -10.980 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.653 3.632 -12.186 1.00 0.00 H new ATOM 319 N ALA A 21 -2.969 5.294 -8.107 1.00 0.00 N ATOM 320 CA ALA A 21 -3.023 5.566 -6.676 1.00 0.00 C ATOM 321 C ALA A 21 -3.946 6.742 -6.376 1.00 0.00 C ATOM 322 O ALA A 21 -4.740 6.698 -5.435 1.00 0.00 O ATOM 323 CB ALA A 21 -1.627 5.837 -6.136 1.00 0.00 C ATOM 0 H ALA A 21 -2.066 5.488 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.427 4.684 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.683 6.038 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.995 4.966 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.201 6.701 -6.646 1.00 0.00 H new ATOM 329 N THR A 22 -3.837 7.795 -7.180 1.00 0.00 N ATOM 330 CA THR A 22 -4.660 8.984 -7.000 1.00 0.00 C ATOM 331 C THR A 22 -6.125 8.689 -7.297 1.00 0.00 C ATOM 332 O THR A 22 -7.005 9.488 -6.980 1.00 0.00 O ATOM 333 CB THR A 22 -4.186 10.137 -7.904 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.905 11.335 -7.588 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.388 9.792 -9.372 1.00 0.00 C ATOM 0 H THR A 22 -3.186 7.848 -7.963 1.00 0.00 H new ATOM 0 HA THR A 22 -4.558 9.284 -5.957 1.00 0.00 H new ATOM 0 HB THR A 22 -3.122 10.294 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.826 11.108 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.046 10.621 -9.991 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.817 8.897 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.446 9.611 -9.561 1.00 0.00 H new ATOM 343 N GLN A 23 -6.380 7.536 -7.907 1.00 0.00 N ATOM 344 CA GLN A 23 -7.740 7.136 -8.247 1.00 0.00 C ATOM 345 C GLN A 23 -8.332 6.243 -7.161 1.00 0.00 C ATOM 346 O GLN A 23 -9.490 5.835 -7.242 1.00 0.00 O ATOM 347 CB GLN A 23 -7.759 6.406 -9.591 1.00 0.00 C ATOM 348 CG GLN A 23 -7.839 7.338 -10.789 1.00 0.00 C ATOM 349 CD GLN A 23 -9.138 8.119 -10.834 1.00 0.00 C ATOM 350 OE1 GLN A 23 -10.137 7.654 -11.384 1.00 0.00 O ATOM 351 NE2 GLN A 23 -9.132 9.314 -10.255 1.00 0.00 N ATOM 0 H GLN A 23 -5.663 6.863 -8.176 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.349 8.037 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.860 5.795 -9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.610 5.725 -9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.001 8.035 -10.759 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.737 6.756 -11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.282 9.661 -9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.977 9.885 -10.255 1.00 0.00 H new ATOM 360 N GLY A 24 -7.529 5.942 -6.146 1.00 0.00 N ATOM 361 CA GLY A 24 -7.991 5.098 -5.059 1.00 0.00 C ATOM 362 C GLY A 24 -7.476 3.677 -5.169 1.00 0.00 C ATOM 363 O GLY A 24 -7.795 2.827 -4.337 1.00 0.00 O ATOM 0 H GLY A 24 -6.566 6.267 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.669 5.525 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.081 5.086 -5.050 1.00 0.00 H new ATOM 367 N VAL A 25 -6.679 3.416 -6.200 1.00 0.00 N ATOM 368 CA VAL A 25 -6.119 2.087 -6.417 1.00 0.00 C ATOM 369 C VAL A 25 -4.607 2.089 -6.224 1.00 0.00 C ATOM 370 O VAL A 25 -3.872 2.685 -7.012 1.00 0.00 O ATOM 371 CB VAL A 25 -6.445 1.565 -7.829 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.185 0.069 -7.918 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.886 1.886 -8.197 1.00 0.00 C ATOM 0 H VAL A 25 -6.406 4.107 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.575 1.427 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.792 2.067 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.421 -0.282 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.136 -0.132 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.812 -0.453 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.098 1.510 -9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.558 1.413 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.035 2.966 -8.176 1.00 0.00 H new ATOM 383 N ILE A 26 -4.150 1.419 -5.172 1.00 0.00 N ATOM 384 CA ILE A 26 -2.724 1.342 -4.877 1.00 0.00 C ATOM 385 C ILE A 26 -2.045 0.270 -5.722 1.00 0.00 C ATOM 386 O ILE A 26 -2.456 -0.891 -5.720 1.00 0.00 O ATOM 387 CB ILE A 26 -2.474 1.041 -3.387 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.102 2.128 -2.512 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.981 0.930 -3.113 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.534 3.508 -2.761 1.00 0.00 C ATOM 0 H ILE A 26 -4.746 0.922 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.298 2.315 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.941 0.088 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.177 2.149 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.957 1.868 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.820 0.717 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.560 0.124 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.493 1.869 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.026 4.227 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.463 3.503 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.703 3.789 -3.801 1.00 0.00 H new ATOM 402 N LEU A 27 -1.001 0.665 -6.442 1.00 0.00 N ATOM 403 CA LEU A 27 -0.262 -0.262 -7.291 1.00 0.00 C ATOM 404 C LEU A 27 1.199 -0.350 -6.859 1.00 0.00 C ATOM 405 O LEU A 27 1.697 0.514 -6.136 1.00 0.00 O ATOM 406 CB LEU A 27 -0.347 0.176 -8.754 1.00 0.00 C ATOM 407 CG LEU A 27 -1.429 -0.501 -9.595 1.00 0.00 C ATOM 408 CD1 LEU A 27 -0.959 -1.866 -10.072 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.721 -0.628 -8.801 1.00 0.00 C ATOM 0 H LEU A 27 -0.647 1.622 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.713 -1.249 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.515 1.253 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.619 -0.008 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.623 0.120 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.743 -2.332 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.061 -1.750 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.736 -2.495 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.480 -1.112 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.542 -1.226 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.068 0.363 -8.510 1.00 0.00 H new ATOM 421 N THR A 28 1.881 -1.399 -7.308 1.00 0.00 N ATOM 422 CA THR A 28 3.285 -1.599 -6.969 1.00 0.00 C ATOM 423 C THR A 28 4.113 -1.901 -8.213 1.00 0.00 C ATOM 424 O THR A 28 3.610 -2.474 -9.180 1.00 0.00 O ATOM 425 CB THR A 28 3.460 -2.747 -5.958 1.00 0.00 C ATOM 426 OG1 THR A 28 2.189 -3.117 -5.411 1.00 0.00 O ATOM 427 CG2 THR A 28 4.402 -2.340 -4.835 1.00 0.00 C ATOM 0 H THR A 28 1.484 -2.123 -7.907 1.00 0.00 H new ATOM 0 HA THR A 28 3.637 -0.671 -6.518 1.00 0.00 H new ATOM 0 HB THR A 28 3.891 -3.600 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.651 -3.557 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.510 -3.167 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.377 -2.088 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.995 -1.473 -4.314 1.00 0.00 H new ATOM 435 N ILE A 29 5.383 -1.514 -8.181 1.00 0.00 N ATOM 436 CA ILE A 29 6.281 -1.746 -9.305 1.00 0.00 C ATOM 437 C ILE A 29 7.542 -2.478 -8.860 1.00 0.00 C ATOM 438 O ILE A 29 8.037 -2.265 -7.753 1.00 0.00 O ATOM 439 CB ILE A 29 6.682 -0.425 -9.988 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.444 0.284 -10.542 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.690 -0.686 -11.096 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.682 -0.538 -11.558 1.00 0.00 C ATOM 0 H ILE A 29 5.814 -1.038 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 29 5.738 -2.365 -10.019 1.00 0.00 H new ATOM 0 HB ILE A 29 7.148 0.224 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.778 0.534 -9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.749 1.224 -11.002 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.963 0.257 -11.569 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.581 -1.152 -10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.250 -1.350 -11.840 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.817 0.026 -11.908 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.332 -0.766 -12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.347 -1.467 -11.097 1.00 0.00 H new ATOM 454 N GLN A 30 8.058 -3.340 -9.730 1.00 0.00 N ATOM 455 CA GLN A 30 9.263 -4.103 -9.426 1.00 0.00 C ATOM 456 C GLN A 30 10.344 -3.852 -10.473 1.00 0.00 C ATOM 457 O GLN A 30 10.264 -4.355 -11.593 1.00 0.00 O ATOM 458 CB GLN A 30 8.943 -5.597 -9.355 1.00 0.00 C ATOM 459 CG GLN A 30 8.780 -6.117 -7.936 1.00 0.00 C ATOM 460 CD GLN A 30 9.794 -7.188 -7.587 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.130 -8.035 -8.416 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.289 -7.158 -6.355 1.00 0.00 N ATOM 0 H GLN A 30 7.661 -3.528 -10.651 1.00 0.00 H new ATOM 0 HA GLN A 30 9.637 -3.773 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.026 -5.791 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.739 -6.155 -9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.878 -5.287 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.775 -6.520 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.983 -6.439 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.975 -7.854 -6.064 1.00 0.00 H new ATOM 471 N GLN A 31 11.353 -3.072 -10.099 1.00 0.00 N ATOM 472 CA GLN A 31 12.450 -2.754 -11.006 1.00 0.00 C ATOM 473 C GLN A 31 13.499 -3.861 -11.001 1.00 0.00 C ATOM 474 O GLN A 31 14.295 -3.971 -10.068 1.00 0.00 O ATOM 475 CB GLN A 31 13.093 -1.423 -10.616 1.00 0.00 C ATOM 476 CG GLN A 31 13.003 -0.362 -11.701 1.00 0.00 C ATOM 477 CD GLN A 31 14.303 0.397 -11.884 1.00 0.00 C ATOM 478 OE1 GLN A 31 14.765 0.597 -13.008 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.899 0.826 -10.778 1.00 0.00 N ATOM 0 H GLN A 31 11.434 -2.649 -9.175 1.00 0.00 H new ATOM 0 HA GLN A 31 12.042 -2.670 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.613 -1.048 -9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.142 -1.593 -10.372 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.727 -0.834 -12.644 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.208 0.341 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.480 0.638 -9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.776 1.344 -10.839 1.00 0.00 H new ATOM 536 N SER A 35 23.127 -8.318 -13.811 1.00 0.00 N ATOM 537 CA SER A 35 24.390 -7.916 -14.419 1.00 0.00 C ATOM 538 C SER A 35 25.015 -9.076 -15.189 1.00 0.00 C ATOM 539 O SER A 35 25.759 -9.880 -14.627 1.00 0.00 O ATOM 540 CB SER A 35 25.361 -7.419 -13.347 1.00 0.00 C ATOM 541 OG SER A 35 24.684 -6.666 -12.355 1.00 0.00 O ATOM 0 HA SER A 35 24.187 -7.105 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.862 -8.269 -12.884 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.135 -6.806 -13.809 1.00 0.00 H new ATOM 0 HG SER A 35 23.721 -6.837 -12.415 1.00 0.00 H new ATOM 547 N ASP A 36 24.708 -9.155 -16.479 1.00 0.00 N ATOM 548 CA ASP A 36 25.240 -10.215 -17.328 1.00 0.00 C ATOM 549 C ASP A 36 26.662 -9.892 -17.774 1.00 0.00 C ATOM 550 O ASP A 36 26.933 -8.804 -18.283 1.00 0.00 O ATOM 551 CB ASP A 36 24.343 -10.416 -18.550 1.00 0.00 C ATOM 552 CG ASP A 36 23.016 -11.059 -18.195 1.00 0.00 C ATOM 553 OD1 ASP A 36 22.748 -11.237 -16.989 1.00 0.00 O ATOM 554 OD2 ASP A 36 22.247 -11.386 -19.124 1.00 0.00 O ATOM 0 H ASP A 36 24.094 -8.498 -16.960 1.00 0.00 H new ATOM 0 HA ASP A 36 25.261 -11.137 -16.746 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.161 -9.452 -19.026 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.861 -11.038 -19.279 1.00 0.00 H new ATOM 559 N VAL A 37 27.569 -10.844 -17.577 1.00 0.00 N ATOM 560 CA VAL A 37 28.965 -10.661 -17.958 1.00 0.00 C ATOM 561 C VAL A 37 29.261 -11.329 -19.296 1.00 0.00 C ATOM 562 O VAL A 37 29.048 -12.530 -19.462 1.00 0.00 O ATOM 563 CB VAL A 37 29.918 -11.230 -16.891 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.351 -10.807 -17.174 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.487 -10.785 -15.501 1.00 0.00 C ATOM 0 H VAL A 37 27.362 -11.750 -17.156 1.00 0.00 H new ATOM 0 HA VAL A 37 29.131 -9.587 -18.046 1.00 0.00 H new ATOM 0 HB VAL A 37 29.872 -12.318 -16.931 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.010 -11.219 -16.409 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.654 -11.180 -18.153 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.418 -9.719 -17.163 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.171 -11.196 -14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.503 -9.697 -15.446 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.477 -11.143 -15.301 1.00 0.00 H new ATOM 575 N TRP A 38 29.753 -10.544 -20.247 1.00 0.00 N ATOM 576 CA TRP A 38 30.080 -11.060 -21.572 1.00 0.00 C ATOM 577 C TRP A 38 31.480 -10.631 -21.993 1.00 0.00 C ATOM 578 O TRP A 38 31.934 -9.537 -21.655 1.00 0.00 O ATOM 579 CB TRP A 38 29.054 -10.576 -22.598 1.00 0.00 C ATOM 580 CG TRP A 38 28.354 -9.315 -22.188 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.599 -9.125 -21.066 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.343 -8.072 -22.897 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.119 -7.837 -21.035 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.562 -7.171 -22.147 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.919 -7.631 -24.092 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.343 -5.858 -22.554 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.700 -6.327 -24.495 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.919 -5.453 -23.728 1.00 0.00 C ATOM 0 H TRP A 38 29.935 -9.548 -20.126 1.00 0.00 H new ATOM 0 HA TRP A 38 30.053 -12.149 -21.527 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.555 -10.412 -23.552 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.313 -11.359 -22.758 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.407 -9.876 -20.314 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.529 -7.442 -20.303 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.524 -8.297 -24.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.740 -5.183 -21.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 29.139 -5.976 -25.417 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.768 -4.440 -24.070 1.00 0.00 H new ATOM 599 N LEU A 39 32.162 -11.498 -22.734 1.00 0.00 N ATOM 600 CA LEU A 39 33.513 -11.207 -23.203 1.00 0.00 C ATOM 601 C LEU A 39 33.569 -11.190 -24.727 1.00 0.00 C ATOM 602 O LEU A 39 32.774 -11.851 -25.394 1.00 0.00 O ATOM 603 CB LEU A 39 34.497 -12.243 -22.656 1.00 0.00 C ATOM 604 CG LEU A 39 35.904 -12.213 -23.254 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.616 -10.923 -22.878 1.00 0.00 C ATOM 606 CD2 LEU A 39 36.706 -13.421 -22.793 1.00 0.00 C ATOM 0 H LEU A 39 31.802 -12.408 -23.023 1.00 0.00 H new ATOM 0 HA LEU A 39 33.794 -10.219 -22.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 34.579 -12.103 -21.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.076 -13.235 -22.818 1.00 0.00 H new ATOM 0 HG LEU A 39 35.817 -12.253 -24.340 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.616 -10.919 -23.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.052 -10.072 -23.259 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.692 -10.852 -21.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 37.704 -13.383 -23.229 1.00 0.00 H new ATOM 0 HD22 LEU A 39 36.784 -13.413 -21.706 1.00 0.00 H new ATOM 0 HD23 LEU A 39 36.205 -14.334 -23.114 1.00 0.00 H new ATOM 618 N ALA A 40 34.515 -10.432 -25.271 1.00 0.00 N ATOM 619 CA ALA A 40 34.677 -10.332 -26.716 1.00 0.00 C ATOM 620 C ALA A 40 35.813 -11.225 -27.204 1.00 0.00 C ATOM 621 O ALA A 40 35.774 -11.741 -28.321 1.00 0.00 O ATOM 622 CB ALA A 40 34.928 -8.887 -27.121 1.00 0.00 C ATOM 0 H ALA A 40 35.181 -9.878 -24.733 1.00 0.00 H new ATOM 0 HA ALA A 40 33.754 -10.674 -27.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.047 -8.828 -28.203 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.082 -8.271 -26.815 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.835 -8.525 -26.636 1.00 0.00 H new ATOM 628 N ASP A 41 36.823 -11.403 -26.360 1.00 0.00 N ATOM 629 CA ASP A 41 37.971 -12.234 -26.705 1.00 0.00 C ATOM 630 C ASP A 41 37.732 -13.686 -26.301 1.00 0.00 C ATOM 631 O ASP A 41 38.078 -14.097 -25.194 1.00 0.00 O ATOM 632 CB ASP A 41 39.234 -11.704 -26.025 1.00 0.00 C ATOM 633 CG ASP A 41 40.468 -12.505 -26.391 1.00 0.00 C ATOM 634 OD1 ASP A 41 40.365 -13.383 -27.273 1.00 0.00 O ATOM 635 OD2 ASP A 41 41.537 -12.256 -25.794 1.00 0.00 O ATOM 0 H ASP A 41 36.870 -10.983 -25.432 1.00 0.00 H new ATOM 0 HA ASP A 41 38.106 -12.194 -27.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.384 -10.662 -26.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.098 -11.726 -24.944 1.00 0.00 H new ATOM 640 N GLU A 42 37.136 -14.456 -27.206 1.00 0.00 N ATOM 641 CA GLU A 42 36.848 -15.861 -26.942 1.00 0.00 C ATOM 642 C GLU A 42 38.079 -16.573 -26.386 1.00 0.00 C ATOM 643 O GLU A 42 37.972 -17.412 -25.492 1.00 0.00 O ATOM 644 CB GLU A 42 36.377 -16.557 -28.220 1.00 0.00 C ATOM 645 CG GLU A 42 34.999 -16.114 -28.682 1.00 0.00 C ATOM 646 CD GLU A 42 34.577 -16.776 -29.979 1.00 0.00 C ATOM 647 OE1 GLU A 42 35.409 -17.487 -30.581 1.00 0.00 O ATOM 648 OE2 GLU A 42 33.415 -16.582 -30.393 1.00 0.00 O ATOM 0 H GLU A 42 36.843 -14.131 -28.128 1.00 0.00 H new ATOM 0 HA GLU A 42 36.054 -15.909 -26.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 37.097 -16.364 -29.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.366 -17.634 -28.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.269 -16.345 -27.907 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.994 -15.032 -28.813 1.00 0.00 H new ATOM 655 N SER A 43 39.245 -16.231 -26.924 1.00 0.00 N ATOM 656 CA SER A 43 40.496 -16.840 -26.486 1.00 0.00 C ATOM 657 C SER A 43 40.694 -16.654 -24.984 1.00 0.00 C ATOM 658 O SER A 43 41.209 -17.539 -24.302 1.00 0.00 O ATOM 659 CB SER A 43 41.677 -16.235 -27.247 1.00 0.00 C ATOM 660 OG SER A 43 41.335 -15.977 -28.598 1.00 0.00 O ATOM 0 H SER A 43 39.350 -15.536 -27.663 1.00 0.00 H new ATOM 0 HA SER A 43 40.446 -17.908 -26.699 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.989 -15.309 -26.764 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.527 -16.917 -27.207 1.00 0.00 H new ATOM 0 HG SER A 43 40.990 -15.063 -28.679 1.00 0.00 H new ATOM 666 N GLN A 44 40.282 -15.496 -24.479 1.00 0.00 N ATOM 667 CA GLN A 44 40.415 -15.192 -23.059 1.00 0.00 C ATOM 668 C GLN A 44 39.235 -15.749 -22.270 1.00 0.00 C ATOM 669 O GLN A 44 39.282 -15.839 -21.044 1.00 0.00 O ATOM 670 CB GLN A 44 40.518 -13.681 -22.846 1.00 0.00 C ATOM 671 CG GLN A 44 41.948 -13.176 -22.749 1.00 0.00 C ATOM 672 CD GLN A 44 42.785 -13.979 -21.773 1.00 0.00 C ATOM 673 OE1 GLN A 44 42.698 -13.789 -20.559 1.00 0.00 O ATOM 674 NE2 GLN A 44 43.604 -14.883 -22.298 1.00 0.00 N ATOM 0 H GLN A 44 39.854 -14.753 -25.031 1.00 0.00 H new ATOM 0 HA GLN A 44 41.327 -15.666 -22.696 1.00 0.00 H new ATOM 0 HB2 GLN A 44 40.017 -13.172 -23.669 1.00 0.00 H new ATOM 0 HB3 GLN A 44 39.985 -13.414 -21.934 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.410 -13.214 -23.735 1.00 0.00 H new ATOM 0 HG3 GLN A 44 41.940 -12.131 -22.441 1.00 0.00 H new ATOM 0 HE21 GLN A 44 43.645 -15.008 -23.310 1.00 0.00 H new ATOM 0 HE22 GLN A 44 44.192 -15.452 -21.690 1.00 0.00 H new ATOM 683 N ALA A 45 38.177 -16.122 -22.983 1.00 0.00 N ATOM 684 CA ALA A 45 36.985 -16.672 -22.350 1.00 0.00 C ATOM 685 C ALA A 45 37.345 -17.792 -21.379 1.00 0.00 C ATOM 686 O ALA A 45 36.770 -17.897 -20.297 1.00 0.00 O ATOM 687 CB ALA A 45 36.012 -17.179 -23.405 1.00 0.00 C ATOM 0 H ALA A 45 38.121 -16.053 -23.999 1.00 0.00 H new ATOM 0 HA ALA A 45 36.506 -15.874 -21.782 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.127 -17.587 -22.917 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.720 -16.355 -24.057 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.491 -17.958 -23.998 1.00 0.00 H new ATOM 693 N GLU A 46 38.301 -18.627 -21.775 1.00 0.00 N ATOM 694 CA GLU A 46 38.736 -19.740 -20.940 1.00 0.00 C ATOM 695 C GLU A 46 39.340 -19.235 -19.632 1.00 0.00 C ATOM 696 O GLU A 46 38.947 -19.665 -18.548 1.00 0.00 O ATOM 697 CB GLU A 46 39.758 -20.599 -21.688 1.00 0.00 C ATOM 698 CG GLU A 46 39.260 -21.106 -23.031 1.00 0.00 C ATOM 699 CD GLU A 46 40.352 -21.771 -23.845 1.00 0.00 C ATOM 700 OE1 GLU A 46 41.085 -21.050 -24.555 1.00 0.00 O ATOM 701 OE2 GLU A 46 40.475 -23.012 -23.773 1.00 0.00 O ATOM 0 H GLU A 46 38.788 -18.554 -22.668 1.00 0.00 H new ATOM 0 HA GLU A 46 37.862 -20.349 -20.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 40.666 -20.016 -21.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 40.029 -21.451 -21.065 1.00 0.00 H new ATOM 0 HG2 GLU A 46 38.449 -21.816 -22.869 1.00 0.00 H new ATOM 0 HG3 GLU A 46 38.845 -20.273 -23.598 1.00 0.00 H new ATOM 708 N ARG A 47 40.299 -18.321 -19.744 1.00 0.00 N ATOM 709 CA ARG A 47 40.959 -17.759 -18.572 1.00 0.00 C ATOM 710 C ARG A 47 39.945 -17.099 -17.642 1.00 0.00 C ATOM 711 O ARG A 47 39.809 -17.486 -16.481 1.00 0.00 O ATOM 712 CB ARG A 47 42.017 -16.739 -18.997 1.00 0.00 C ATOM 713 CG ARG A 47 42.745 -16.094 -17.828 1.00 0.00 C ATOM 714 CD ARG A 47 42.154 -14.736 -17.484 1.00 0.00 C ATOM 715 NE ARG A 47 42.836 -14.114 -16.352 1.00 0.00 N ATOM 716 CZ ARG A 47 44.074 -13.637 -16.413 1.00 0.00 C ATOM 717 NH1 ARG A 47 44.762 -13.710 -17.544 1.00 0.00 N ATOM 718 NH2 ARG A 47 44.627 -13.084 -15.340 1.00 0.00 N ATOM 0 H ARG A 47 40.636 -17.954 -20.634 1.00 0.00 H new ATOM 0 HA ARG A 47 41.444 -18.573 -18.033 1.00 0.00 H new ATOM 0 HB2 ARG A 47 42.746 -17.231 -19.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 41.540 -15.960 -19.592 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.688 -16.748 -16.958 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.801 -15.981 -18.073 1.00 0.00 H new ATOM 0 HD2 ARG A 47 42.221 -14.081 -18.352 1.00 0.00 H new ATOM 0 HD3 ARG A 47 41.095 -14.850 -17.252 1.00 0.00 H new ATOM 0 HE ARG A 47 42.334 -14.042 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.341 -14.133 -18.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 45.713 -13.343 -17.587 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.101 -13.025 -14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.578 -12.718 -15.388 1.00 0.00 H new ATOM 732 N VAL A 48 39.237 -16.101 -18.159 1.00 0.00 N ATOM 733 CA VAL A 48 38.235 -15.387 -17.375 1.00 0.00 C ATOM 734 C VAL A 48 37.271 -16.358 -16.702 1.00 0.00 C ATOM 735 O VAL A 48 36.842 -16.137 -15.570 1.00 0.00 O ATOM 736 CB VAL A 48 37.432 -14.407 -18.250 1.00 0.00 C ATOM 737 CG1 VAL A 48 38.354 -13.369 -18.873 1.00 0.00 C ATOM 738 CG2 VAL A 48 36.660 -15.160 -19.323 1.00 0.00 C ATOM 0 H VAL A 48 39.338 -15.768 -19.118 1.00 0.00 H new ATOM 0 HA VAL A 48 38.772 -14.824 -16.611 1.00 0.00 H new ATOM 0 HB VAL A 48 36.714 -13.886 -17.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 37.769 -12.685 -19.488 1.00 0.00 H new ATOM 0 HG12 VAL A 48 38.856 -12.809 -18.085 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.098 -13.869 -19.493 1.00 0.00 H new ATOM 0 HG21 VAL A 48 36.098 -14.452 -19.932 1.00 0.00 H new ATOM 0 HG22 VAL A 48 37.358 -15.709 -19.956 1.00 0.00 H new ATOM 0 HG23 VAL A 48 35.970 -15.860 -18.851 1.00 0.00 H new ATOM 748 N ARG A 49 36.935 -17.433 -17.407 1.00 0.00 N ATOM 749 CA ARG A 49 36.020 -18.438 -16.877 1.00 0.00 C ATOM 750 C ARG A 49 36.587 -19.076 -15.613 1.00 0.00 C ATOM 751 O ARG A 49 35.934 -19.095 -14.569 1.00 0.00 O ATOM 752 CB ARG A 49 35.749 -19.516 -17.928 1.00 0.00 C ATOM 753 CG ARG A 49 34.512 -19.249 -18.770 1.00 0.00 C ATOM 754 CD ARG A 49 34.611 -19.915 -20.133 1.00 0.00 C ATOM 755 NE ARG A 49 33.325 -20.446 -20.578 1.00 0.00 N ATOM 756 CZ ARG A 49 32.366 -19.697 -21.112 1.00 0.00 C ATOM 757 NH1 ARG A 49 32.548 -18.393 -21.268 1.00 0.00 N ATOM 758 NH2 ARG A 49 31.223 -20.253 -21.493 1.00 0.00 N ATOM 0 H ARG A 49 37.282 -17.631 -18.346 1.00 0.00 H new ATOM 0 HA ARG A 49 35.082 -17.943 -16.624 1.00 0.00 H new ATOM 0 HB2 ARG A 49 36.615 -19.596 -18.585 1.00 0.00 H new ATOM 0 HB3 ARG A 49 35.637 -20.478 -17.429 1.00 0.00 H new ATOM 0 HG2 ARG A 49 33.629 -19.617 -18.248 1.00 0.00 H new ATOM 0 HG3 ARG A 49 34.383 -18.174 -18.898 1.00 0.00 H new ATOM 0 HD2 ARG A 49 34.977 -19.193 -20.863 1.00 0.00 H new ATOM 0 HD3 ARG A 49 35.341 -20.723 -20.089 1.00 0.00 H new ATOM 0 HE ARG A 49 33.154 -21.446 -20.473 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.426 -17.962 -20.978 1.00 0.00 H new ATOM 0 HH12 ARG A 49 31.810 -17.821 -21.678 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.080 -21.256 -21.376 1.00 0.00 H new ATOM 0 HH22 ARG A 49 30.487 -19.677 -21.903 1.00 0.00 H new ATOM 772 N ALA A 50 37.804 -19.599 -15.714 1.00 0.00 N ATOM 773 CA ALA A 50 38.459 -20.236 -14.579 1.00 0.00 C ATOM 774 C ALA A 50 38.609 -19.264 -13.414 1.00 0.00 C ATOM 775 O ALA A 50 38.166 -19.543 -12.300 1.00 0.00 O ATOM 776 CB ALA A 50 39.818 -20.782 -14.991 1.00 0.00 C ATOM 0 H ALA A 50 38.357 -19.594 -16.571 1.00 0.00 H new ATOM 0 HA ALA A 50 37.832 -21.064 -14.249 1.00 0.00 H new ATOM 0 HB1 ALA A 50 40.295 -21.255 -14.133 1.00 0.00 H new ATOM 0 HB2 ALA A 50 39.689 -21.517 -15.785 1.00 0.00 H new ATOM 0 HB3 ALA A 50 40.444 -19.966 -15.350 1.00 0.00 H new ATOM 782 N GLU A 51 39.235 -18.122 -13.679 1.00 0.00 N ATOM 783 CA GLU A 51 39.443 -17.109 -12.651 1.00 0.00 C ATOM 784 C GLU A 51 38.119 -16.699 -12.014 1.00 0.00 C ATOM 785 O GLU A 51 37.994 -16.650 -10.790 1.00 0.00 O ATOM 786 CB GLU A 51 40.137 -15.882 -13.245 1.00 0.00 C ATOM 787 CG GLU A 51 41.441 -16.204 -13.956 1.00 0.00 C ATOM 788 CD GLU A 51 42.275 -17.227 -13.209 1.00 0.00 C ATOM 789 OE1 GLU A 51 42.456 -17.066 -11.984 1.00 0.00 O ATOM 790 OE2 GLU A 51 42.746 -18.190 -13.850 1.00 0.00 O ATOM 0 H GLU A 51 39.607 -17.875 -14.596 1.00 0.00 H new ATOM 0 HA GLU A 51 40.080 -17.539 -11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 51 39.460 -15.397 -13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 51 40.335 -15.166 -12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 51 41.222 -16.579 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.020 -15.288 -14.078 1.00 0.00 H new ATOM 797 N LEU A 52 37.132 -16.405 -12.853 1.00 0.00 N ATOM 798 CA LEU A 52 35.815 -15.999 -12.374 1.00 0.00 C ATOM 799 C LEU A 52 35.272 -17.000 -11.359 1.00 0.00 C ATOM 800 O LEU A 52 34.840 -16.622 -10.271 1.00 0.00 O ATOM 801 CB LEU A 52 34.842 -15.866 -13.547 1.00 0.00 C ATOM 802 CG LEU A 52 33.435 -15.380 -13.200 1.00 0.00 C ATOM 803 CD1 LEU A 52 33.195 -13.990 -13.768 1.00 0.00 C ATOM 804 CD2 LEU A 52 32.390 -16.358 -13.719 1.00 0.00 C ATOM 0 H LEU A 52 37.219 -16.440 -13.869 1.00 0.00 H new ATOM 0 HA LEU A 52 35.917 -15.031 -11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 52 35.273 -15.178 -14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 34.759 -16.837 -14.036 1.00 0.00 H new ATOM 0 HG LEU A 52 33.347 -15.327 -12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.188 -13.661 -13.511 1.00 0.00 H new ATOM 0 HD12 LEU A 52 33.922 -13.295 -13.349 1.00 0.00 H new ATOM 0 HD13 LEU A 52 33.302 -14.017 -14.852 1.00 0.00 H new ATOM 0 HD21 LEU A 52 31.394 -15.996 -13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 32.478 -16.443 -14.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 32.549 -17.336 -13.264 1.00 0.00 H new ATOM 816 N ALA A 53 35.300 -18.278 -11.723 1.00 0.00 N ATOM 817 CA ALA A 53 34.814 -19.333 -10.843 1.00 0.00 C ATOM 818 C ALA A 53 35.578 -19.342 -9.523 1.00 0.00 C ATOM 819 O ALA A 53 34.987 -19.495 -8.454 1.00 0.00 O ATOM 820 CB ALA A 53 34.927 -20.686 -11.530 1.00 0.00 C ATOM 0 H ALA A 53 35.654 -18.607 -12.621 1.00 0.00 H new ATOM 0 HA ALA A 53 33.765 -19.135 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 53 34.561 -21.465 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 53 34.331 -20.681 -12.443 1.00 0.00 H new ATOM 0 HB3 ALA A 53 35.970 -20.882 -11.778 1.00 0.00 H new ATOM 826 N ARG A 54 36.895 -19.179 -9.606 1.00 0.00 N ATOM 827 CA ARG A 54 37.739 -19.170 -8.418 1.00 0.00 C ATOM 828 C ARG A 54 37.530 -17.892 -7.611 1.00 0.00 C ATOM 829 O ARG A 54 37.848 -17.836 -6.423 1.00 0.00 O ATOM 830 CB ARG A 54 39.212 -19.301 -8.812 1.00 0.00 C ATOM 831 CG ARG A 54 39.527 -20.580 -9.572 1.00 0.00 C ATOM 832 CD ARG A 54 40.844 -20.470 -10.324 1.00 0.00 C ATOM 833 NE ARG A 54 41.972 -20.246 -9.423 1.00 0.00 N ATOM 834 CZ ARG A 54 43.241 -20.258 -9.817 1.00 0.00 C ATOM 835 NH1 ARG A 54 43.542 -20.482 -11.088 1.00 0.00 N ATOM 836 NH2 ARG A 54 44.211 -20.046 -8.937 1.00 0.00 N ATOM 0 H ARG A 54 37.400 -19.052 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 54 37.458 -20.021 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.493 -18.445 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 54 39.825 -19.263 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.573 -21.417 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.722 -20.795 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 41.012 -21.383 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.785 -19.651 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 54 41.775 -20.071 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.799 -20.646 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 54 44.517 -20.491 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 54 43.983 -19.874 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 54 45.185 -20.055 -9.240 1.00 0.00 H new ATOM 850 N PHE A 55 36.994 -16.867 -8.265 1.00 0.00 N ATOM 851 CA PHE A 55 36.743 -15.589 -7.610 1.00 0.00 C ATOM 852 C PHE A 55 35.364 -15.573 -6.957 1.00 0.00 C ATOM 853 O PHE A 55 35.182 -15.012 -5.876 1.00 0.00 O ATOM 854 CB PHE A 55 36.856 -14.443 -8.618 1.00 0.00 C ATOM 855 CG PHE A 55 36.976 -13.090 -7.977 1.00 0.00 C ATOM 856 CD1 PHE A 55 35.923 -12.557 -7.251 1.00 0.00 C ATOM 857 CD2 PHE A 55 38.141 -12.351 -8.102 1.00 0.00 C ATOM 858 CE1 PHE A 55 36.031 -11.312 -6.660 1.00 0.00 C ATOM 859 CE2 PHE A 55 38.254 -11.106 -7.513 1.00 0.00 C ATOM 860 CZ PHE A 55 37.197 -10.585 -6.792 1.00 0.00 C ATOM 0 H PHE A 55 36.725 -16.897 -9.248 1.00 0.00 H new ATOM 0 HA PHE A 55 37.495 -15.455 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 55 37.725 -14.613 -9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 55 35.980 -14.453 -9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 55 35.008 -13.121 -7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 55 38.970 -12.752 -8.666 1.00 0.00 H new ATOM 0 HE1 PHE A 55 35.204 -10.908 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 55 39.168 -10.541 -7.616 1.00 0.00 H new ATOM 0 HZ PHE A 55 37.283 -9.611 -6.333 1.00 0.00 H new ATOM 989 N MET B 1 31.375 -12.337 -29.550 1.00 0.00 N ATOM 990 CA MET B 1 31.074 -12.103 -28.142 1.00 0.00 C ATOM 991 C MET B 1 30.539 -13.371 -27.483 1.00 0.00 C ATOM 992 O MET B 1 29.529 -13.928 -27.914 1.00 0.00 O ATOM 993 CB MET B 1 30.055 -10.971 -27.998 1.00 0.00 C ATOM 994 CG MET B 1 30.552 -9.636 -28.528 1.00 0.00 C ATOM 995 SD MET B 1 30.534 -8.340 -27.274 1.00 0.00 S ATOM 996 CE MET B 1 31.517 -9.102 -25.986 1.00 0.00 C ATOM 0 H1 MET B 1 32.059 -11.627 -29.881 1.00 0.00 H new ATOM 0 H2 MET B 1 31.780 -13.288 -29.665 1.00 0.00 H new ATOM 0 H3 MET B 1 30.501 -12.263 -30.109 1.00 0.00 H new ATOM 0 HA MET B 1 31.998 -11.816 -27.641 1.00 0.00 H new ATOM 0 HB2 MET B 1 29.142 -11.245 -28.526 1.00 0.00 H new ATOM 0 HB3 MET B 1 29.793 -10.860 -26.946 1.00 0.00 H new ATOM 0 HG2 MET B 1 31.567 -9.755 -28.907 1.00 0.00 H new ATOM 0 HG3 MET B 1 29.931 -9.330 -29.370 1.00 0.00 H new ATOM 0 HE1 MET B 1 32.160 -8.351 -25.526 1.00 0.00 H new ATOM 0 HE2 MET B 1 30.858 -9.528 -25.229 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.133 -9.891 -26.417 1.00 0.00 H new ATOM 1006 N LEU B 2 31.223 -13.821 -26.437 1.00 0.00 N ATOM 1007 CA LEU B 2 30.817 -15.024 -25.718 1.00 0.00 C ATOM 1008 C LEU B 2 30.515 -14.709 -24.256 1.00 0.00 C ATOM 1009 O LEU B 2 31.354 -14.157 -23.544 1.00 0.00 O ATOM 1010 CB LEU B 2 31.911 -16.089 -25.806 1.00 0.00 C ATOM 1011 CG LEU B 2 31.679 -17.360 -24.988 1.00 0.00 C ATOM 1012 CD1 LEU B 2 30.394 -18.047 -25.424 1.00 0.00 C ATOM 1013 CD2 LEU B 2 32.864 -18.305 -25.123 1.00 0.00 C ATOM 0 H LEU B 2 32.061 -13.371 -26.068 1.00 0.00 H new ATOM 0 HA LEU B 2 29.909 -15.406 -26.184 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.032 -16.371 -26.852 1.00 0.00 H new ATOM 0 HB3 LEU B 2 32.852 -15.642 -25.486 1.00 0.00 H new ATOM 0 HG LEU B 2 31.580 -17.082 -23.939 1.00 0.00 H new ATOM 0 HD11 LEU B 2 30.245 -18.950 -24.831 1.00 0.00 H new ATOM 0 HD12 LEU B 2 29.552 -17.372 -25.275 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.463 -18.313 -26.479 1.00 0.00 H new ATOM 0 HD21 LEU B 2 32.681 -19.204 -24.534 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.995 -18.577 -26.170 1.00 0.00 H new ATOM 0 HD23 LEU B 2 33.766 -17.811 -24.761 1.00 0.00 H new ATOM 1025 N MET B 3 29.313 -15.064 -23.816 1.00 0.00 N ATOM 1026 CA MET B 3 28.902 -14.822 -22.438 1.00 0.00 C ATOM 1027 C MET B 3 29.863 -15.490 -21.459 1.00 0.00 C ATOM 1028 O MET B 3 30.165 -16.677 -21.584 1.00 0.00 O ATOM 1029 CB MET B 3 27.481 -15.339 -22.208 1.00 0.00 C ATOM 1030 CG MET B 3 26.656 -14.460 -21.282 1.00 0.00 C ATOM 1031 SD MET B 3 25.468 -15.401 -20.306 1.00 0.00 S ATOM 1032 CE MET B 3 25.245 -14.312 -18.901 1.00 0.00 C ATOM 0 H MET B 3 28.606 -15.520 -24.393 1.00 0.00 H new ATOM 0 HA MET B 3 28.922 -13.746 -22.263 1.00 0.00 H new ATOM 0 HB2 MET B 3 26.972 -15.418 -23.169 1.00 0.00 H new ATOM 0 HB3 MET B 3 27.532 -16.345 -21.791 1.00 0.00 H new ATOM 0 HG2 MET B 3 27.323 -13.919 -20.611 1.00 0.00 H new ATOM 0 HG3 MET B 3 26.125 -13.714 -21.873 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.537 -14.831 -17.988 1.00 0.00 H new ATOM 0 HE2 MET B 3 25.865 -13.424 -19.027 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.198 -14.017 -18.832 1.00 0.00 H new ATOM 1042 N ILE B 4 30.339 -14.720 -20.486 1.00 0.00 N ATOM 1043 CA ILE B 4 31.265 -15.238 -19.487 1.00 0.00 C ATOM 1044 C ILE B 4 30.517 -15.789 -18.277 1.00 0.00 C ATOM 1045 O ILE B 4 30.839 -16.863 -17.769 1.00 0.00 O ATOM 1046 CB ILE B 4 32.250 -14.152 -19.016 1.00 0.00 C ATOM 1047 CG1 ILE B 4 33.148 -13.711 -20.173 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.088 -14.666 -17.854 1.00 0.00 C ATOM 1049 CD1 ILE B 4 33.849 -14.858 -20.866 1.00 0.00 C ATOM 0 H ILE B 4 30.099 -13.736 -20.369 1.00 0.00 H new ATOM 0 HA ILE B 4 31.825 -16.043 -19.963 1.00 0.00 H new ATOM 0 HB ILE B 4 31.680 -13.288 -18.674 1.00 0.00 H new ATOM 0 HG12 ILE B 4 32.546 -13.169 -20.903 1.00 0.00 H new ATOM 0 HG13 ILE B 4 33.896 -13.013 -19.796 1.00 0.00 H new ATOM 0 HG21 ILE B 4 33.780 -13.888 -17.532 1.00 0.00 H new ATOM 0 HG22 ILE B 4 32.434 -14.936 -17.025 1.00 0.00 H new ATOM 0 HG23 ILE B 4 33.652 -15.543 -18.172 1.00 0.00 H new ATOM 0 HD11 ILE B 4 34.468 -14.471 -21.675 1.00 0.00 H new ATOM 0 HD12 ILE B 4 34.478 -15.386 -20.149 1.00 0.00 H new ATOM 0 HD13 ILE B 4 33.107 -15.545 -21.274 1.00 0.00 H new ATOM 1061 N THR B 5 29.513 -15.046 -17.821 1.00 0.00 N ATOM 1062 CA THR B 5 28.717 -15.459 -16.672 1.00 0.00 C ATOM 1063 C THR B 5 27.575 -14.483 -16.414 1.00 0.00 C ATOM 1064 O THR B 5 27.396 -13.514 -17.152 1.00 0.00 O ATOM 1065 CB THR B 5 29.580 -15.570 -15.401 1.00 0.00 C ATOM 1066 OG1 THR B 5 28.851 -16.247 -14.371 1.00 0.00 O ATOM 1067 CG2 THR B 5 29.999 -14.192 -14.911 1.00 0.00 C ATOM 0 H THR B 5 29.232 -14.155 -18.230 1.00 0.00 H new ATOM 0 HA THR B 5 28.306 -16.440 -16.909 1.00 0.00 H new ATOM 0 HB THR B 5 30.476 -16.140 -15.645 1.00 0.00 H new ATOM 0 HG1 THR B 5 29.145 -15.922 -13.494 1.00 0.00 H new ATOM 0 HG21 THR B 5 30.608 -14.295 -14.013 1.00 0.00 H new ATOM 0 HG22 THR B 5 30.578 -13.691 -15.686 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.112 -13.602 -14.683 1.00 0.00 H new ATOM 1075 N SER B 6 26.805 -14.744 -15.363 1.00 0.00 N ATOM 1076 CA SER B 6 25.678 -13.889 -15.009 1.00 0.00 C ATOM 1077 C SER B 6 25.689 -13.565 -13.518 1.00 0.00 C ATOM 1078 O SER B 6 25.870 -14.448 -12.680 1.00 0.00 O ATOM 1079 CB SER B 6 24.359 -14.567 -15.386 1.00 0.00 C ATOM 1080 OG SER B 6 23.977 -15.518 -14.407 1.00 0.00 O ATOM 0 H SER B 6 26.941 -15.541 -14.741 1.00 0.00 H new ATOM 0 HA SER B 6 25.771 -12.957 -15.566 1.00 0.00 H new ATOM 0 HB2 SER B 6 23.577 -13.815 -15.492 1.00 0.00 H new ATOM 0 HB3 SER B 6 24.462 -15.058 -16.354 1.00 0.00 H new ATOM 0 HG SER B 6 23.131 -15.936 -14.670 1.00 0.00 H new ATOM 1086 N PHE B 7 25.494 -12.290 -13.195 1.00 0.00 N ATOM 1087 CA PHE B 7 25.482 -11.847 -11.806 1.00 0.00 C ATOM 1088 C PHE B 7 24.225 -11.037 -11.504 1.00 0.00 C ATOM 1089 O PHE B 7 23.501 -10.633 -12.414 1.00 0.00 O ATOM 1090 CB PHE B 7 26.727 -11.010 -11.505 1.00 0.00 C ATOM 1091 CG PHE B 7 28.006 -11.796 -11.558 1.00 0.00 C ATOM 1092 CD1 PHE B 7 28.079 -13.063 -11.001 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.134 -11.269 -12.165 1.00 0.00 C ATOM 1094 CE1 PHE B 7 29.255 -13.788 -11.048 1.00 0.00 C ATOM 1095 CE2 PHE B 7 30.312 -11.989 -12.215 1.00 0.00 C ATOM 1096 CZ PHE B 7 30.373 -13.251 -11.657 1.00 0.00 C ATOM 0 H PHE B 7 25.342 -11.546 -13.876 1.00 0.00 H new ATOM 0 HA PHE B 7 25.484 -12.731 -11.169 1.00 0.00 H new ATOM 0 HB2 PHE B 7 26.785 -10.189 -12.220 1.00 0.00 H new ATOM 0 HB3 PHE B 7 26.625 -10.564 -10.516 1.00 0.00 H new ATOM 0 HD1 PHE B 7 27.208 -13.488 -10.525 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.092 -10.283 -12.604 1.00 0.00 H new ATOM 0 HE1 PHE B 7 29.300 -14.774 -10.609 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.185 -11.565 -12.690 1.00 0.00 H new ATOM 0 HZ PHE B 7 31.292 -13.817 -11.697 1.00 0.00 H new ATOM 1106 N ALA B 8 23.972 -10.804 -10.220 1.00 0.00 N ATOM 1107 CA ALA B 8 22.804 -10.042 -9.798 1.00 0.00 C ATOM 1108 C ALA B 8 23.193 -8.939 -8.819 1.00 0.00 C ATOM 1109 O ALA B 8 22.612 -8.820 -7.741 1.00 0.00 O ATOM 1110 CB ALA B 8 21.769 -10.965 -9.172 1.00 0.00 C ATOM 0 H ALA B 8 24.561 -11.132 -9.454 1.00 0.00 H new ATOM 0 HA ALA B 8 22.369 -9.572 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA B 8 20.902 -10.382 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA B 8 21.460 -11.714 -9.902 1.00 0.00 H new ATOM 0 HB3 ALA B 8 22.202 -11.462 -8.304 1.00 0.00 H new ATOM 1116 N ASN B 9 24.180 -8.135 -9.202 1.00 0.00 N ATOM 1117 CA ASN B 9 24.647 -7.043 -8.356 1.00 0.00 C ATOM 1118 C ASN B 9 25.688 -6.198 -9.085 1.00 0.00 C ATOM 1119 O ASN B 9 26.537 -6.710 -9.815 1.00 0.00 O ATOM 1120 CB ASN B 9 25.238 -7.593 -7.057 1.00 0.00 C ATOM 1121 CG ASN B 9 24.296 -7.431 -5.879 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.746 -6.353 -5.654 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.107 -8.504 -5.121 1.00 0.00 N ATOM 0 H ASN B 9 24.671 -8.219 -10.092 1.00 0.00 H new ATOM 0 HA ASN B 9 23.793 -6.409 -8.118 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.474 -8.649 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.176 -7.081 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN B 9 23.485 -8.455 -4.314 1.00 0.00 H new ATOM 0 HD22 ASN B 9 24.584 -9.377 -5.345 1.00 0.00 H new ATOM 1130 N PRO B 10 25.624 -4.874 -8.881 1.00 0.00 N ATOM 1131 CA PRO B 10 26.554 -3.931 -9.508 1.00 0.00 C ATOM 1132 C PRO B 10 27.966 -4.048 -8.945 1.00 0.00 C ATOM 1133 O PRO B 10 28.939 -4.130 -9.694 1.00 0.00 O ATOM 1134 CB PRO B 10 25.955 -2.564 -9.170 1.00 0.00 C ATOM 1135 CG PRO B 10 25.169 -2.792 -7.926 1.00 0.00 C ATOM 1136 CD PRO B 10 24.638 -4.196 -8.023 1.00 0.00 C ATOM 0 HA PRO B 10 26.659 -4.113 -10.578 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.734 -1.818 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.321 -2.199 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.795 -2.672 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO B 10 24.355 -2.072 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.567 -4.667 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.640 -4.219 -8.461 1.00 0.00 H new ATOM 1144 N ARG B 11 28.071 -4.055 -7.620 1.00 0.00 N ATOM 1145 CA ARG B 11 29.364 -4.161 -6.956 1.00 0.00 C ATOM 1146 C ARG B 11 30.163 -5.339 -7.507 1.00 0.00 C ATOM 1147 O ARG B 11 31.339 -5.200 -7.847 1.00 0.00 O ATOM 1148 CB ARG B 11 29.175 -4.322 -5.446 1.00 0.00 C ATOM 1149 CG ARG B 11 28.295 -3.250 -4.825 1.00 0.00 C ATOM 1150 CD ARG B 11 28.640 -3.024 -3.362 1.00 0.00 C ATOM 1151 NE ARG B 11 27.662 -2.169 -2.694 1.00 0.00 N ATOM 1152 CZ ARG B 11 27.560 -0.862 -2.910 1.00 0.00 C ATOM 1153 NH1 ARG B 11 28.370 -0.264 -3.772 1.00 0.00 N ATOM 1154 NH2 ARG B 11 26.644 -0.152 -2.264 1.00 0.00 N ATOM 0 H ARG B 11 27.275 -3.988 -6.985 1.00 0.00 H new ATOM 0 HA ARG B 11 29.920 -3.244 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.738 -5.300 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG B 11 30.152 -4.304 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG B 11 28.413 -2.317 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG B 11 27.248 -3.542 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG B 11 28.692 -3.985 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG B 11 29.628 -2.570 -3.289 1.00 0.00 H new ATOM 0 HE ARG B 11 27.023 -2.599 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG B 11 29.074 -0.807 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG B 11 28.289 0.740 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG B 11 26.018 -0.610 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG B 11 26.566 0.851 -2.430 1.00 0.00 H new ATOM 1168 N VAL B 12 29.517 -6.497 -7.593 1.00 0.00 N ATOM 1169 CA VAL B 12 30.167 -7.699 -8.103 1.00 0.00 C ATOM 1170 C VAL B 12 30.509 -7.553 -9.582 1.00 0.00 C ATOM 1171 O VAL B 12 31.658 -7.733 -9.985 1.00 0.00 O ATOM 1172 CB VAL B 12 29.277 -8.941 -7.914 1.00 0.00 C ATOM 1173 CG1 VAL B 12 29.998 -10.192 -8.393 1.00 0.00 C ATOM 1174 CG2 VAL B 12 28.861 -9.081 -6.457 1.00 0.00 C ATOM 0 H VAL B 12 28.544 -6.629 -7.316 1.00 0.00 H new ATOM 0 HA VAL B 12 31.086 -7.829 -7.531 1.00 0.00 H new ATOM 0 HB VAL B 12 28.376 -8.817 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.354 -11.060 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.242 -10.089 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL B 12 30.916 -10.325 -7.821 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.232 -9.964 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL B 12 29.749 -9.184 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.303 -8.196 -6.151 1.00 0.00 H new ATOM 1184 N ALA B 13 29.504 -7.224 -10.387 1.00 0.00 N ATOM 1185 CA ALA B 13 29.698 -7.051 -11.821 1.00 0.00 C ATOM 1186 C ALA B 13 30.866 -6.114 -12.107 1.00 0.00 C ATOM 1187 O ALA B 13 31.855 -6.510 -12.723 1.00 0.00 O ATOM 1188 CB ALA B 13 28.425 -6.524 -12.466 1.00 0.00 C ATOM 0 H ALA B 13 28.547 -7.072 -10.070 1.00 0.00 H new ATOM 0 HA ALA B 13 29.933 -8.024 -12.251 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.584 -6.400 -13.537 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.613 -7.232 -12.300 1.00 0.00 H new ATOM 0 HB3 ALA B 13 28.164 -5.562 -12.024 1.00 0.00 H new ATOM 1194 N GLN B 14 30.744 -4.869 -11.657 1.00 0.00 N ATOM 1195 CA GLN B 14 31.790 -3.875 -11.867 1.00 0.00 C ATOM 1196 C GLN B 14 33.135 -4.385 -11.360 1.00 0.00 C ATOM 1197 O GLN B 14 34.131 -4.358 -12.081 1.00 0.00 O ATOM 1198 CB GLN B 14 31.428 -2.566 -11.163 1.00 0.00 C ATOM 1199 CG GLN B 14 32.464 -1.469 -11.347 1.00 0.00 C ATOM 1200 CD GLN B 14 32.696 -1.125 -12.805 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.752 -1.027 -13.590 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.958 -0.940 -13.176 1.00 0.00 N ATOM 0 H GLN B 14 29.932 -4.525 -11.145 1.00 0.00 H new ATOM 0 HA GLN B 14 31.872 -3.692 -12.938 1.00 0.00 H new ATOM 0 HB2 GLN B 14 30.468 -2.214 -11.540 1.00 0.00 H new ATOM 0 HB3 GLN B 14 31.301 -2.759 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN B 14 32.140 -0.575 -10.814 1.00 0.00 H new ATOM 0 HG3 GLN B 14 33.406 -1.785 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN B 14 34.709 -1.031 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN B 14 34.176 -0.707 -14.145 1.00 0.00 H new ATOM 1211 N ALA B 15 33.155 -4.848 -10.115 1.00 0.00 N ATOM 1212 CA ALA B 15 34.377 -5.365 -9.512 1.00 0.00 C ATOM 1213 C ALA B 15 35.051 -6.383 -10.425 1.00 0.00 C ATOM 1214 O ALA B 15 36.250 -6.294 -10.691 1.00 0.00 O ATOM 1215 CB ALA B 15 34.074 -5.988 -8.157 1.00 0.00 C ATOM 0 H ALA B 15 32.339 -4.876 -9.504 1.00 0.00 H new ATOM 0 HA ALA B 15 35.064 -4.531 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.996 -6.370 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.643 -5.234 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.366 -6.807 -8.283 1.00 0.00 H new ATOM 1221 N PHE B 16 34.274 -7.350 -10.902 1.00 0.00 N ATOM 1222 CA PHE B 16 34.798 -8.386 -11.785 1.00 0.00 C ATOM 1223 C PHE B 16 35.439 -7.771 -13.025 1.00 0.00 C ATOM 1224 O PHE B 16 36.575 -8.091 -13.374 1.00 0.00 O ATOM 1225 CB PHE B 16 33.680 -9.346 -12.197 1.00 0.00 C ATOM 1226 CG PHE B 16 33.619 -10.590 -11.358 1.00 0.00 C ATOM 1227 CD1 PHE B 16 34.562 -11.594 -11.512 1.00 0.00 C ATOM 1228 CD2 PHE B 16 32.618 -10.756 -10.413 1.00 0.00 C ATOM 1229 CE1 PHE B 16 34.506 -12.740 -10.741 1.00 0.00 C ATOM 1230 CE2 PHE B 16 32.558 -11.899 -9.639 1.00 0.00 C ATOM 1231 CZ PHE B 16 33.504 -12.892 -9.803 1.00 0.00 C ATOM 0 H PHE B 16 33.280 -7.438 -10.692 1.00 0.00 H new ATOM 0 HA PHE B 16 35.562 -8.941 -11.241 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.724 -8.827 -12.133 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.820 -9.628 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.349 -11.480 -12.242 1.00 0.00 H new ATOM 0 HD2 PHE B 16 31.876 -9.982 -10.280 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.246 -13.516 -10.872 1.00 0.00 H new ATOM 0 HE2 PHE B 16 31.773 -12.016 -8.907 1.00 0.00 H new ATOM 0 HZ PHE B 16 33.460 -13.786 -9.199 1.00 0.00 H new ATOM 1241 N VAL B 17 34.701 -6.885 -13.688 1.00 0.00 N ATOM 1242 CA VAL B 17 35.197 -6.224 -14.889 1.00 0.00 C ATOM 1243 C VAL B 17 36.445 -5.403 -14.589 1.00 0.00 C ATOM 1244 O VAL B 17 37.308 -5.228 -15.450 1.00 0.00 O ATOM 1245 CB VAL B 17 34.126 -5.304 -15.506 1.00 0.00 C ATOM 1246 CG1 VAL B 17 34.759 -4.025 -16.031 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.374 -6.029 -16.611 1.00 0.00 C ATOM 0 H VAL B 17 33.758 -6.609 -13.413 1.00 0.00 H new ATOM 0 HA VAL B 17 35.446 -7.009 -15.603 1.00 0.00 H new ATOM 0 HB VAL B 17 33.412 -5.034 -14.728 1.00 0.00 H new ATOM 0 HG11 VAL B 17 33.987 -3.388 -16.463 1.00 0.00 H new ATOM 0 HG12 VAL B 17 35.248 -3.498 -15.212 1.00 0.00 H new ATOM 0 HG13 VAL B 17 35.496 -4.271 -16.795 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.622 -5.364 -17.036 1.00 0.00 H new ATOM 0 HG22 VAL B 17 34.074 -6.330 -17.391 1.00 0.00 H new ATOM 0 HG23 VAL B 17 32.887 -6.913 -16.200 1.00 0.00 H new ATOM 1257 N ASP B 18 36.536 -4.901 -13.363 1.00 0.00 N ATOM 1258 CA ASP B 18 37.680 -4.098 -12.947 1.00 0.00 C ATOM 1259 C ASP B 18 38.939 -4.955 -12.852 1.00 0.00 C ATOM 1260 O ASP B 18 39.928 -4.701 -13.539 1.00 0.00 O ATOM 1261 CB ASP B 18 37.400 -3.430 -11.600 1.00 0.00 C ATOM 1262 CG ASP B 18 38.288 -2.225 -11.356 1.00 0.00 C ATOM 1263 OD1 ASP B 18 39.349 -2.130 -12.006 1.00 0.00 O ATOM 1264 OD2 ASP B 18 37.921 -1.379 -10.513 1.00 0.00 O ATOM 0 H ASP B 18 35.831 -5.036 -12.639 1.00 0.00 H new ATOM 0 HA ASP B 18 37.843 -3.326 -13.699 1.00 0.00 H new ATOM 0 HB2 ASP B 18 36.355 -3.122 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP B 18 37.549 -4.155 -10.800 1.00 0.00 H new ATOM 1269 N TYR B 19 38.894 -5.969 -11.995 1.00 0.00 N ATOM 1270 CA TYR B 19 40.032 -6.861 -11.807 1.00 0.00 C ATOM 1271 C TYR B 19 40.377 -7.585 -13.105 1.00 0.00 C ATOM 1272 O TYR B 19 41.534 -7.928 -13.349 1.00 0.00 O ATOM 1273 CB TYR B 19 39.731 -7.880 -10.707 1.00 0.00 C ATOM 1274 CG TYR B 19 39.607 -9.299 -11.213 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.732 -10.027 -11.581 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.365 -9.912 -11.325 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.623 -11.324 -12.045 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.247 -11.208 -11.787 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.379 -11.910 -12.146 1.00 0.00 C ATOM 1280 OH TYR B 19 39.265 -13.202 -12.607 1.00 0.00 O ATOM 0 H TYR B 19 38.082 -6.194 -11.420 1.00 0.00 H new ATOM 0 HA TYR B 19 40.889 -6.257 -11.510 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.522 -7.838 -9.958 1.00 0.00 H new ATOM 0 HB3 TYR B 19 38.804 -7.599 -10.207 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.708 -9.571 -11.503 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.476 -9.365 -11.046 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.508 -11.876 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.274 -11.669 -11.867 1.00 0.00 H new ATOM 0 HH TYR B 19 38.321 -13.464 -12.616 1.00 0.00 H new ATOM 1290 N MET B 20 39.365 -7.812 -13.936 1.00 0.00 N ATOM 1291 CA MET B 20 39.561 -8.493 -15.211 1.00 0.00 C ATOM 1292 C MET B 20 40.284 -7.589 -16.204 1.00 0.00 C ATOM 1293 O MET B 20 41.201 -8.025 -16.900 1.00 0.00 O ATOM 1294 CB MET B 20 38.215 -8.933 -15.790 1.00 0.00 C ATOM 1295 CG MET B 20 37.625 -10.151 -15.098 1.00 0.00 C ATOM 1296 SD MET B 20 38.035 -11.693 -15.939 1.00 0.00 S ATOM 1297 CE MET B 20 39.759 -11.877 -15.488 1.00 0.00 C ATOM 0 H MET B 20 38.401 -7.535 -13.750 1.00 0.00 H new ATOM 0 HA MET B 20 40.178 -9.374 -15.034 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.509 -8.106 -15.716 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.339 -9.152 -16.850 1.00 0.00 H new ATOM 0 HG2 MET B 20 37.989 -10.193 -14.072 1.00 0.00 H new ATOM 0 HG3 MET B 20 36.541 -10.046 -15.047 1.00 0.00 H new ATOM 0 HE1 MET B 20 39.936 -12.893 -15.135 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.386 -11.681 -16.358 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.006 -11.169 -14.696 1.00 0.00 H new ATOM 1307 N ALA B 21 39.865 -6.329 -16.265 1.00 0.00 N ATOM 1308 CA ALA B 21 40.475 -5.364 -17.172 1.00 0.00 C ATOM 1309 C ALA B 21 41.934 -5.114 -16.808 1.00 0.00 C ATOM 1310 O ALA B 21 42.812 -5.127 -17.671 1.00 0.00 O ATOM 1311 CB ALA B 21 39.694 -4.059 -17.156 1.00 0.00 C ATOM 0 H ALA B 21 39.106 -5.953 -15.697 1.00 0.00 H new ATOM 0 HA ALA B 21 40.446 -5.780 -18.179 1.00 0.00 H new ATOM 0 HB1 ALA B 21 40.160 -3.348 -17.838 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.668 -4.245 -17.472 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.694 -3.648 -16.147 1.00 0.00 H new ATOM 1317 N THR B 22 42.188 -4.886 -15.523 1.00 0.00 N ATOM 1318 CA THR B 22 43.541 -4.631 -15.045 1.00 0.00 C ATOM 1319 C THR B 22 44.443 -5.837 -15.278 1.00 0.00 C ATOM 1320 O THR B 22 45.668 -5.727 -15.223 1.00 0.00 O ATOM 1321 CB THR B 22 43.550 -4.280 -13.545 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.875 -3.928 -13.132 1.00 0.00 O ATOM 1323 CG2 THR B 22 43.048 -5.450 -12.712 1.00 0.00 C ATOM 0 H THR B 22 41.474 -4.873 -14.795 1.00 0.00 H new ATOM 0 HA THR B 22 43.921 -3.781 -15.612 1.00 0.00 H new ATOM 0 HB THR B 22 42.884 -3.431 -13.389 1.00 0.00 H new ATOM 0 HG1 THR B 22 45.528 -4.382 -13.705 1.00 0.00 H new ATOM 0 HG21 THR B 22 43.064 -5.178 -11.657 1.00 0.00 H new ATOM 0 HG22 THR B 22 42.028 -5.697 -13.008 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.692 -6.314 -12.874 1.00 0.00 H new ATOM 1331 N GLN B 23 43.830 -6.987 -15.538 1.00 0.00 N ATOM 1332 CA GLN B 23 44.580 -8.215 -15.780 1.00 0.00 C ATOM 1333 C GLN B 23 44.891 -8.379 -17.264 1.00 0.00 C ATOM 1334 O GLN B 23 45.563 -9.328 -17.666 1.00 0.00 O ATOM 1335 CB GLN B 23 43.793 -9.425 -15.274 1.00 0.00 C ATOM 1336 CG GLN B 23 43.954 -9.676 -13.783 1.00 0.00 C ATOM 1337 CD GLN B 23 45.360 -10.105 -13.412 1.00 0.00 C ATOM 1338 OE1 GLN B 23 45.690 -11.290 -13.452 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.196 -9.140 -13.047 1.00 0.00 N ATOM 0 H GLN B 23 42.817 -7.095 -15.587 1.00 0.00 H new ATOM 0 HA GLN B 23 45.522 -8.150 -15.236 1.00 0.00 H new ATOM 0 HB2 GLN B 23 42.736 -9.280 -15.497 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.115 -10.312 -15.820 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.699 -8.768 -13.236 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.249 -10.446 -13.470 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.879 -8.171 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.155 -9.368 -12.785 1.00 0.00 H new ATOM 1348 N GLY B 24 44.396 -7.448 -18.074 1.00 0.00 N ATOM 1349 CA GLY B 24 44.632 -7.509 -19.505 1.00 0.00 C ATOM 1350 C GLY B 24 43.438 -8.048 -20.267 1.00 0.00 C ATOM 1351 O GLY B 24 43.454 -8.113 -21.496 1.00 0.00 O ATOM 0 H GLY B 24 43.836 -6.653 -17.765 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.874 -6.512 -19.873 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.499 -8.140 -19.701 1.00 0.00 H new ATOM 1355 N VAL B 25 42.398 -8.439 -19.536 1.00 0.00 N ATOM 1356 CA VAL B 25 41.190 -8.976 -20.150 1.00 0.00 C ATOM 1357 C VAL B 25 40.018 -8.014 -19.991 1.00 0.00 C ATOM 1358 O VAL B 25 39.555 -7.762 -18.878 1.00 0.00 O ATOM 1359 CB VAL B 25 40.809 -10.338 -19.540 1.00 0.00 C ATOM 1360 CG1 VAL B 25 39.755 -11.029 -20.392 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.041 -11.216 -19.385 1.00 0.00 C ATOM 0 H VAL B 25 42.369 -8.394 -18.517 1.00 0.00 H new ATOM 0 HA VAL B 25 41.406 -9.108 -21.210 1.00 0.00 H new ATOM 0 HB VAL B 25 40.386 -10.167 -18.550 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.499 -11.990 -19.945 1.00 0.00 H new ATOM 0 HG12 VAL B 25 38.863 -10.404 -20.446 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.147 -11.189 -21.396 1.00 0.00 H new ATOM 0 HG21 VAL B 25 41.753 -12.174 -18.953 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.496 -11.381 -20.362 1.00 0.00 H new ATOM 0 HG23 VAL B 25 42.759 -10.723 -18.729 1.00 0.00 H new ATOM 1371 N ILE B 26 39.543 -7.480 -21.111 1.00 0.00 N ATOM 1372 CA ILE B 26 38.423 -6.547 -21.096 1.00 0.00 C ATOM 1373 C ILE B 26 37.092 -7.286 -21.018 1.00 0.00 C ATOM 1374 O ILE B 26 36.795 -8.142 -21.853 1.00 0.00 O ATOM 1375 CB ILE B 26 38.425 -5.646 -22.346 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.732 -4.856 -22.430 1.00 0.00 C ATOM 1377 CG2 ILE B 26 37.231 -4.704 -22.321 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.957 -3.932 -21.253 1.00 0.00 C ATOM 0 H ILE B 26 39.916 -7.677 -22.040 1.00 0.00 H new ATOM 0 HA ILE B 26 38.542 -5.925 -20.209 1.00 0.00 H new ATOM 0 HB ILE B 26 38.347 -6.277 -23.231 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.566 -5.555 -22.497 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.734 -4.269 -23.348 1.00 0.00 H new ATOM 0 HG21 ILE B 26 37.246 -4.074 -23.210 1.00 0.00 H new ATOM 0 HG22 ILE B 26 36.309 -5.285 -22.304 1.00 0.00 H new ATOM 0 HG23 ILE B 26 37.281 -4.077 -21.431 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.902 -3.404 -21.380 1.00 0.00 H new ATOM 0 HD12 ILE B 26 39.143 -3.209 -21.197 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.988 -4.516 -20.333 1.00 0.00 H new ATOM 1390 N LEU B 27 36.293 -6.950 -20.012 1.00 0.00 N ATOM 1391 CA LEU B 27 34.991 -7.581 -19.825 1.00 0.00 C ATOM 1392 C LEU B 27 33.869 -6.551 -19.915 1.00 0.00 C ATOM 1393 O LEU B 27 34.103 -5.348 -19.788 1.00 0.00 O ATOM 1394 CB LEU B 27 34.937 -8.294 -18.473 1.00 0.00 C ATOM 1395 CG LEU B 27 35.268 -9.786 -18.488 1.00 0.00 C ATOM 1396 CD1 LEU B 27 34.052 -10.599 -18.904 1.00 0.00 C ATOM 1397 CD2 LEU B 27 36.441 -10.063 -19.417 1.00 0.00 C ATOM 0 H LEU B 27 36.524 -6.244 -19.313 1.00 0.00 H new ATOM 0 HA LEU B 27 34.852 -8.313 -20.620 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.629 -7.796 -17.794 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.937 -8.168 -18.058 1.00 0.00 H new ATOM 0 HG LEU B 27 35.551 -10.086 -17.479 1.00 0.00 H new ATOM 0 HD11 LEU B 27 34.307 -11.659 -18.909 1.00 0.00 H new ATOM 0 HD12 LEU B 27 33.239 -10.425 -18.199 1.00 0.00 H new ATOM 0 HD13 LEU B 27 33.737 -10.297 -19.903 1.00 0.00 H new ATOM 0 HD21 LEU B 27 36.663 -11.130 -19.415 1.00 0.00 H new ATOM 0 HD22 LEU B 27 36.186 -9.747 -20.429 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.315 -9.510 -19.074 1.00 0.00 H new ATOM 1409 N THR B 28 32.648 -7.030 -20.133 1.00 0.00 N ATOM 1410 CA THR B 28 31.490 -6.152 -20.239 1.00 0.00 C ATOM 1411 C THR B 28 30.358 -6.625 -19.334 1.00 0.00 C ATOM 1412 O THR B 28 30.223 -7.819 -19.065 1.00 0.00 O ATOM 1413 CB THR B 28 30.975 -6.074 -21.688 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.939 -6.642 -22.582 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.694 -4.632 -22.086 1.00 0.00 C ATOM 0 H THR B 28 32.436 -8.022 -20.240 1.00 0.00 H new ATOM 0 HA THR B 28 31.815 -5.161 -19.923 1.00 0.00 H new ATOM 0 HB THR B 28 30.045 -6.639 -21.751 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.983 -7.611 -22.443 1.00 0.00 H new ATOM 0 HG21 THR B 28 30.331 -4.602 -23.113 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.938 -4.212 -21.422 1.00 0.00 H new ATOM 0 HG23 THR B 28 31.611 -4.048 -22.008 1.00 0.00 H new ATOM 1423 N ILE B 29 29.546 -5.681 -18.868 1.00 0.00 N ATOM 1424 CA ILE B 29 28.424 -6.003 -17.994 1.00 0.00 C ATOM 1425 C ILE B 29 27.116 -5.458 -18.557 1.00 0.00 C ATOM 1426 O ILE B 29 27.086 -4.381 -19.153 1.00 0.00 O ATOM 1427 CB ILE B 29 28.635 -5.438 -16.577 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.821 -6.128 -15.901 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.372 -5.609 -15.746 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.577 -7.589 -15.595 1.00 0.00 C ATOM 0 H ILE B 29 29.644 -4.688 -19.081 1.00 0.00 H new ATOM 0 HA ILE B 29 28.368 -7.090 -17.938 1.00 0.00 H new ATOM 0 HB ILE B 29 28.854 -4.373 -16.655 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.696 -6.041 -16.545 1.00 0.00 H new ATOM 0 HG13 ILE B 29 30.055 -5.605 -14.974 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.536 -5.205 -14.747 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.549 -5.076 -16.222 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.125 -6.668 -15.673 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.460 -8.013 -15.117 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.722 -7.683 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.373 -8.126 -16.522 1.00 0.00 H new ATOM 1442 N GLN B 30 26.036 -6.208 -18.362 1.00 0.00 N ATOM 1443 CA GLN B 30 24.724 -5.799 -18.850 1.00 0.00 C ATOM 1444 C GLN B 30 23.728 -5.684 -17.701 1.00 0.00 C ATOM 1445 O GLN B 30 23.253 -6.691 -17.177 1.00 0.00 O ATOM 1446 CB GLN B 30 24.210 -6.797 -19.889 1.00 0.00 C ATOM 1447 CG GLN B 30 24.372 -6.320 -21.323 1.00 0.00 C ATOM 1448 CD GLN B 30 23.044 -6.149 -22.035 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.112 -6.927 -21.830 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.951 -5.127 -22.878 1.00 0.00 N ATOM 0 H GLN B 30 26.044 -7.101 -17.870 1.00 0.00 H new ATOM 0 HA GLN B 30 24.826 -4.819 -19.317 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.740 -7.741 -19.767 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.156 -6.997 -19.698 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.907 -5.371 -21.328 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.985 -7.034 -21.872 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.749 -4.507 -23.018 1.00 0.00 H new ATOM 0 HE22 GLN B 30 22.082 -4.962 -23.386 1.00 0.00 H new ATOM 1459 N GLN B 31 23.417 -4.451 -17.315 1.00 0.00 N ATOM 1460 CA GLN B 31 22.478 -4.206 -16.227 1.00 0.00 C ATOM 1461 C GLN B 31 21.039 -4.235 -16.733 1.00 0.00 C ATOM 1462 O GLN B 31 20.553 -3.263 -17.311 1.00 0.00 O ATOM 1463 CB GLN B 31 22.771 -2.858 -15.566 1.00 0.00 C ATOM 1464 CG GLN B 31 22.982 -2.950 -14.064 1.00 0.00 C ATOM 1465 CD GLN B 31 22.234 -1.873 -13.303 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.597 -2.145 -12.285 1.00 0.00 O ATOM 1467 NE2 GLN B 31 22.308 -0.641 -13.793 1.00 0.00 N ATOM 0 H GLN B 31 23.801 -3.607 -17.739 1.00 0.00 H new ATOM 0 HA GLN B 31 22.601 -4.999 -15.489 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.660 -2.424 -16.023 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.944 -2.177 -15.767 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.656 -3.930 -13.714 1.00 0.00 H new ATOM 0 HG3 GLN B 31 24.047 -2.871 -13.845 1.00 0.00 H new ATOM 0 HE21 GLN B 31 22.847 -0.460 -14.640 1.00 0.00 H new ATOM 0 HE22 GLN B 31 21.825 0.125 -13.323 1.00 0.00 H new ATOM 1524 N SER B 35 10.149 -3.239 -15.174 1.00 0.00 N ATOM 1525 CA SER B 35 9.233 -2.717 -14.166 1.00 0.00 C ATOM 1526 C SER B 35 7.936 -3.519 -14.143 1.00 0.00 C ATOM 1527 O SER B 35 7.000 -3.227 -14.888 1.00 0.00 O ATOM 1528 CB SER B 35 8.930 -1.242 -14.438 1.00 0.00 C ATOM 1529 OG SER B 35 10.096 -0.548 -14.845 1.00 0.00 O ATOM 0 HA SER B 35 9.713 -2.809 -13.192 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.166 -1.161 -15.212 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.523 -0.779 -13.539 1.00 0.00 H new ATOM 0 HG SER B 35 10.701 -1.166 -15.306 1.00 0.00 H new ATOM 1535 N ASP B 36 7.888 -4.530 -13.283 1.00 0.00 N ATOM 1536 CA ASP B 36 6.705 -5.375 -13.162 1.00 0.00 C ATOM 1537 C ASP B 36 5.650 -4.709 -12.284 1.00 0.00 C ATOM 1538 O ASP B 36 5.931 -4.305 -11.155 1.00 0.00 O ATOM 1539 CB ASP B 36 7.084 -6.738 -12.580 1.00 0.00 C ATOM 1540 CG ASP B 36 7.919 -7.564 -13.538 1.00 0.00 C ATOM 1541 OD1 ASP B 36 8.299 -7.034 -14.603 1.00 0.00 O ATOM 1542 OD2 ASP B 36 8.192 -8.742 -13.224 1.00 0.00 O ATOM 0 H ASP B 36 8.654 -4.785 -12.659 1.00 0.00 H new ATOM 0 HA ASP B 36 6.286 -5.517 -14.158 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.638 -6.593 -11.652 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.177 -7.287 -12.327 1.00 0.00 H new ATOM 1547 N VAL B 37 4.435 -4.597 -12.811 1.00 0.00 N ATOM 1548 CA VAL B 37 3.337 -3.980 -12.076 1.00 0.00 C ATOM 1549 C VAL B 37 2.436 -5.036 -11.445 1.00 0.00 C ATOM 1550 O VAL B 37 1.916 -5.914 -12.134 1.00 0.00 O ATOM 1551 CB VAL B 37 2.488 -3.075 -12.989 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.600 -2.162 -12.159 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.382 -2.266 -13.916 1.00 0.00 C ATOM 0 H VAL B 37 4.186 -4.925 -13.744 1.00 0.00 H new ATOM 0 HA VAL B 37 3.785 -3.372 -11.290 1.00 0.00 H new ATOM 0 HB VAL B 37 1.845 -3.707 -13.602 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.008 -1.530 -12.821 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.934 -2.765 -11.542 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.220 -1.535 -11.518 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.766 -1.632 -14.554 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.052 -1.643 -13.323 1.00 0.00 H new ATOM 0 HG23 VAL B 37 3.970 -2.942 -14.536 1.00 0.00 H new ATOM 1563 N TRP B 38 2.256 -4.944 -10.133 1.00 0.00 N ATOM 1564 CA TRP B 38 1.416 -5.892 -9.409 1.00 0.00 C ATOM 1565 C TRP B 38 0.428 -5.164 -8.505 1.00 0.00 C ATOM 1566 O TRP B 38 0.736 -4.103 -7.959 1.00 0.00 O ATOM 1567 CB TRP B 38 2.282 -6.841 -8.579 1.00 0.00 C ATOM 1568 CG TRP B 38 3.638 -6.285 -8.263 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.599 -5.912 -9.159 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.183 -6.043 -6.962 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.709 -5.452 -8.492 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.479 -5.521 -7.144 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.702 -6.214 -5.661 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.297 -5.171 -6.073 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.516 -5.867 -4.599 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.801 -5.350 -4.810 1.00 0.00 C ATOM 0 H TRP B 38 2.680 -4.223 -9.548 1.00 0.00 H new ATOM 0 HA TRP B 38 0.852 -6.471 -10.140 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.766 -7.071 -7.647 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.399 -7.780 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.501 -5.970 -10.233 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.566 -5.114 -8.930 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.712 -6.610 -5.488 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.288 -4.772 -6.233 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.155 -5.997 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.412 -5.088 -3.959 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.760 -5.738 -8.349 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.794 -5.143 -7.510 1.00 0.00 C ATOM 1589 C LEU B 39 -2.144 -6.062 -6.344 1.00 0.00 C ATOM 1590 O LEU B 39 -1.989 -7.280 -6.432 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.046 -4.852 -8.338 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.297 -4.461 -7.550 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.096 -3.120 -6.861 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.511 -4.416 -8.465 1.00 0.00 C ATOM 0 H LEU B 39 -1.031 -6.615 -8.793 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.407 -4.207 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.816 -4.048 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.277 -5.736 -8.933 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.472 -5.217 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.996 -2.858 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.252 -3.187 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.895 -2.353 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.392 -4.136 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.346 -3.681 -9.253 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.667 -5.398 -8.911 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.619 -5.470 -5.253 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.996 -6.236 -4.071 1.00 0.00 C ATOM 1608 C ALA B 40 -4.510 -6.390 -3.977 1.00 0.00 C ATOM 1609 O ALA B 40 -5.010 -7.370 -3.424 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.452 -5.570 -2.815 1.00 0.00 C ATOM 0 H ALA B 40 -2.752 -4.463 -5.163 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.561 -7.231 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.741 -6.152 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.365 -5.517 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.860 -4.563 -2.731 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.234 -5.418 -4.519 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.692 -5.446 -4.496 1.00 0.00 C ATOM 1618 C ASP B 41 -7.241 -6.141 -5.738 1.00 0.00 C ATOM 1619 O ASP B 41 -7.511 -5.498 -6.752 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.250 -4.025 -4.402 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.762 -4.002 -4.303 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.364 -5.088 -4.169 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.344 -2.899 -4.361 1.00 0.00 O ATOM 0 H ASP B 41 -4.835 -4.600 -4.980 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.006 -6.009 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.824 -3.528 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.938 -3.456 -5.278 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.403 -7.458 -5.651 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.918 -8.239 -6.769 1.00 0.00 C ATOM 1630 C GLU B 42 -9.180 -7.601 -7.343 1.00 0.00 C ATOM 1631 O GLU B 42 -9.373 -7.567 -8.558 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.215 -9.673 -6.324 1.00 0.00 C ATOM 1633 CG GLU B 42 -6.967 -10.506 -6.083 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.285 -11.899 -5.575 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.461 -12.156 -5.242 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -6.357 -12.733 -5.512 1.00 0.00 O ATOM 0 H GLU B 42 -7.185 -8.006 -4.818 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.155 -8.258 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.806 -9.645 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.826 -10.161 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.401 -10.582 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.329 -9.997 -5.361 1.00 0.00 H new ATOM 1643 N SER B 43 -10.036 -7.098 -6.459 1.00 0.00 N ATOM 1644 CA SER B 43 -11.281 -6.465 -6.876 1.00 0.00 C ATOM 1645 C SER B 43 -11.010 -5.317 -7.844 1.00 0.00 C ATOM 1646 O SER B 43 -11.772 -5.092 -8.784 1.00 0.00 O ATOM 1647 CB SER B 43 -12.049 -5.950 -5.657 1.00 0.00 C ATOM 1648 OG SER B 43 -11.918 -6.836 -4.559 1.00 0.00 O ATOM 0 H SER B 43 -9.890 -7.117 -5.450 1.00 0.00 H new ATOM 0 HA SER B 43 -11.886 -7.213 -7.388 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.677 -4.964 -5.379 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.103 -5.833 -5.910 1.00 0.00 H new ATOM 0 HG SER B 43 -12.416 -6.483 -3.793 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.920 -4.596 -7.605 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.548 -3.471 -8.455 1.00 0.00 C ATOM 1656 C GLN B 44 -8.743 -3.942 -9.661 1.00 0.00 C ATOM 1657 O GLN B 44 -8.561 -3.200 -10.626 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.739 -2.447 -7.656 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.585 -1.328 -7.069 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.505 -0.694 -8.093 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -10.082 0.144 -8.890 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.772 -1.090 -8.077 1.00 0.00 N ATOM 0 H GLN B 44 -9.279 -4.770 -6.831 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.464 -3.001 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.217 -2.959 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.977 -2.014 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -10.181 -1.722 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -8.930 -0.563 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -12.080 -1.787 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.438 -0.697 -8.743 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.264 -5.180 -9.600 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.480 -5.751 -10.688 1.00 0.00 C ATOM 1673 C ALA B 45 -8.165 -5.529 -12.032 1.00 0.00 C ATOM 1674 O ALA B 45 -7.511 -5.214 -13.027 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.250 -7.236 -10.450 1.00 0.00 C ATOM 0 H ALA B 45 -8.405 -5.807 -8.808 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.515 -5.245 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.663 -7.649 -11.270 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.712 -7.375 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.210 -7.749 -10.396 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.483 -5.695 -12.055 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.255 -5.514 -13.279 1.00 0.00 C ATOM 1683 C GLU B 46 -10.191 -4.065 -13.753 1.00 0.00 C ATOM 1684 O GLU B 46 -9.939 -3.795 -14.927 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.711 -5.926 -13.056 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.870 -7.339 -12.523 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.294 -7.649 -12.106 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -13.657 -7.333 -10.953 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -14.046 -8.208 -12.931 1.00 0.00 O ATOM 0 H GLU B 46 -10.039 -5.955 -11.240 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.820 -6.150 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.174 -5.229 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.252 -5.839 -13.998 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.557 -8.049 -13.288 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.207 -7.478 -11.669 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.421 -3.136 -12.830 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.392 -1.715 -13.153 1.00 0.00 C ATOM 1698 C ARG B 47 -9.019 -1.305 -13.679 1.00 0.00 C ATOM 1699 O ARG B 47 -8.898 -0.780 -14.786 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.746 -0.883 -11.919 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.719 0.617 -12.168 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.373 1.218 -11.796 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.342 2.663 -12.005 1.00 0.00 N ATOM 1704 CZ ARG B 47 -10.017 3.528 -11.256 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.770 3.097 -10.254 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.938 4.829 -11.509 1.00 0.00 N ATOM 0 H ARG B 47 -10.629 -3.342 -11.853 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.131 -1.530 -13.932 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.739 -1.167 -11.572 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.048 -1.122 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.930 0.817 -13.219 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.506 1.098 -11.588 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.154 0.998 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.590 0.749 -12.391 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.771 3.028 -12.767 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.833 2.098 -10.056 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.287 3.764 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.359 5.165 -12.279 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.456 5.493 -10.934 1.00 0.00 H new ATOM 1720 N VAL B 48 -7.987 -1.549 -12.878 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.623 -1.206 -13.262 1.00 0.00 C ATOM 1722 C VAL B 48 -6.265 -1.810 -14.615 1.00 0.00 C ATOM 1723 O VAL B 48 -5.564 -1.193 -15.416 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.606 -1.688 -12.211 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.864 -1.017 -10.871 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.656 -3.203 -12.077 1.00 0.00 C ATOM 0 H VAL B 48 -8.070 -1.983 -11.959 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.577 -0.119 -13.329 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.606 -1.408 -12.543 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.136 -1.370 -10.141 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.772 0.064 -10.982 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.869 -1.263 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.931 -3.526 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.656 -3.508 -11.768 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.417 -3.661 -13.037 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.752 -3.022 -14.863 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.483 -3.711 -16.119 1.00 0.00 C ATOM 1738 C ARG B 49 -7.036 -2.922 -17.302 1.00 0.00 C ATOM 1739 O ARG B 49 -6.307 -2.591 -18.236 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.093 -5.113 -16.097 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.121 -6.194 -15.652 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.847 -7.366 -15.009 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.229 -8.645 -15.348 1.00 0.00 N ATOM 1744 CZ ARG B 49 -5.131 -9.108 -14.760 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -4.535 -8.402 -13.810 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -4.629 -10.282 -15.123 1.00 0.00 N ATOM 0 H ARG B 49 -7.335 -3.547 -14.211 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.402 -3.794 -16.234 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -7.955 -5.114 -15.430 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.461 -5.355 -17.094 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.549 -6.546 -16.510 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.407 -5.774 -14.943 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.850 -7.241 -13.926 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.888 -7.369 -15.332 1.00 0.00 H new ATOM 0 HE ARG B 49 -6.663 -9.213 -16.075 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -4.919 -7.500 -13.528 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -3.692 -8.761 -13.361 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.086 -10.828 -15.853 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -3.786 -10.638 -14.672 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.331 -2.624 -17.254 1.00 0.00 N ATOM 1761 CA ALA B 50 -8.982 -1.873 -18.320 1.00 0.00 C ATOM 1762 C ALA B 50 -8.308 -0.521 -18.530 1.00 0.00 C ATOM 1763 O ALA B 50 -7.876 -0.199 -19.636 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.459 -1.685 -18.007 1.00 0.00 C ATOM 0 H ALA B 50 -8.949 -2.891 -16.488 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.887 -2.444 -19.243 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.933 -1.122 -18.812 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.938 -2.660 -17.915 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.566 -1.138 -17.070 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.222 0.264 -17.461 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.601 1.582 -17.531 1.00 0.00 C ATOM 1772 C GLU B 51 -6.180 1.486 -18.079 1.00 0.00 C ATOM 1773 O GLU B 51 -5.797 2.237 -18.977 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.582 2.235 -16.147 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.962 2.397 -15.531 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.020 2.753 -16.557 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.782 3.680 -17.359 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.088 2.105 -16.557 1.00 0.00 O ATOM 0 H GLU B 51 -8.574 0.011 -16.538 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.192 2.198 -18.208 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.964 1.634 -15.480 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.110 3.215 -16.223 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.244 1.470 -15.031 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.926 3.174 -14.767 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.403 0.558 -17.532 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.024 0.362 -17.965 1.00 0.00 C ATOM 1787 C LEU B 52 -3.946 0.200 -19.480 1.00 0.00 C ATOM 1788 O LEU B 52 -3.147 0.858 -20.145 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.422 -0.864 -17.278 1.00 0.00 C ATOM 1790 CG LEU B 52 -1.971 -1.190 -17.636 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.070 -1.015 -16.424 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -1.862 -2.605 -18.185 1.00 0.00 C ATOM 0 H LEU B 52 -5.704 -0.071 -16.788 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.452 1.246 -17.683 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.485 -0.719 -16.200 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.038 -1.730 -17.520 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.643 -0.496 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.042 -1.251 -16.698 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.125 0.016 -16.076 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.397 -1.684 -15.628 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -0.823 -2.819 -18.434 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.209 -3.314 -17.434 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.476 -2.696 -19.081 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.784 -0.680 -20.019 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.813 -0.926 -21.456 1.00 0.00 C ATOM 1806 C ALA B 53 -5.137 0.351 -22.224 1.00 0.00 C ATOM 1807 O ALA B 53 -4.500 0.658 -23.232 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.826 -2.013 -21.784 1.00 0.00 C ATOM 0 H ALA B 53 -5.451 -1.234 -19.482 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.823 -1.263 -21.763 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.838 -2.187 -22.860 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.550 -2.934 -21.271 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.817 -1.698 -21.457 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.131 1.090 -21.743 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.540 2.333 -22.387 1.00 0.00 C ATOM 1816 C ARG B 54 -5.446 3.391 -22.271 1.00 0.00 C ATOM 1817 O ARG B 54 -5.390 4.330 -23.064 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.836 2.853 -21.762 1.00 0.00 C ATOM 1819 CG ARG B 54 -8.992 1.870 -21.850 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.082 2.200 -20.843 1.00 0.00 C ATOM 1821 NE ARG B 54 -10.654 3.524 -21.070 1.00 0.00 N ATOM 1822 CZ ARG B 54 -11.725 3.982 -20.431 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.336 3.226 -19.529 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -12.186 5.198 -20.692 1.00 0.00 N ATOM 0 H ARG B 54 -6.668 0.850 -20.910 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.711 2.127 -23.444 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.653 3.093 -20.715 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.121 3.781 -22.257 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.409 1.886 -22.857 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.625 0.859 -21.673 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.870 1.449 -20.903 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.671 2.151 -19.835 1.00 0.00 H new ATOM 0 HE ARG B 54 -10.207 4.131 -21.757 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.984 2.291 -19.325 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.158 3.580 -19.040 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -11.718 5.783 -21.384 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.008 5.548 -20.200 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.579 3.231 -21.276 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.488 4.173 -21.055 1.00 0.00 C ATOM 1840 C PHE B 55 -2.260 3.785 -21.873 1.00 0.00 C ATOM 1841 O PHE B 55 -1.519 4.646 -22.349 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.129 4.230 -19.569 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.269 5.406 -19.204 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -0.957 5.485 -19.644 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -2.772 6.433 -18.422 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -0.163 6.566 -19.311 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -1.983 7.517 -18.086 1.00 0.00 C ATOM 1848 CZ PHE B 55 -0.676 7.583 -18.530 1.00 0.00 C ATOM 0 H PHE B 55 -4.611 2.459 -20.611 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.821 5.159 -21.379 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.047 4.266 -18.983 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.611 3.312 -19.293 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -0.550 4.692 -20.254 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -3.792 6.386 -18.071 1.00 0.00 H new ATOM 0 HE1 PHE B 55 0.857 6.615 -19.661 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -2.388 8.312 -17.477 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.057 8.428 -18.267 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.050 2.483 -22.031 1.00 0.00 N ATOM 1859 CA LEU B 56 -0.912 1.978 -22.791 1.00 0.00 C ATOM 1860 C LEU B 56 -0.924 2.521 -24.216 1.00 0.00 C ATOM 1861 O LEU B 56 0.126 2.798 -24.794 1.00 0.00 O ATOM 1862 CB LEU B 56 -0.927 0.449 -22.815 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.086 -0.248 -21.745 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.501 -1.705 -21.605 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.395 -0.143 -22.078 1.00 0.00 C ATOM 0 H LEU B 56 -2.653 1.758 -21.643 1.00 0.00 H new ATOM 0 HA LEU B 56 0.000 2.318 -22.300 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -1.959 0.114 -22.712 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.580 0.118 -23.794 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.260 0.251 -20.792 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.108 -2.185 -20.839 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.551 -1.758 -21.319 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.358 -2.217 -22.556 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.978 -0.645 -21.306 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.586 -0.616 -23.041 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.684 0.907 -22.126 1.00 0.00 H new