USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 116:sc= -1.38! USER MOD Set 1.2: A 65 HIS : no HE2:sc= -3.27! C(o=-4.7!,f=-11!) USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.408 X(o=0.41,f=-0.033) USER MOD Set 3.1: A 6 SER OG : rot 57:sc= -6.32! USER MOD Set 3.2: A 48 MET CE :methyl -117:sc= -4.94! (180deg=-4.71!) USER MOD Set 3.3: A 51 LYS NZ :NH3+ 137:sc= -1.45 (180deg=-2.4!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 127:sc= -0.0486 (180deg=-0.378) USER MOD Single : A 1 MET N :NH3+ 180:sc= -1.55! (180deg=-1.55!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -62:sc= -0.813! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.28) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 30 SER OG : rot -101:sc= -0.24 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0168 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -4.99! C(o=-5!,f=-20!) USER MOD Single : A 54 GLN : amide:sc= -1.96 X(o=-2,f=-1.6!) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -0.0569 (180deg=-0.499) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.079 -0.739 -2.040 1.00 0.00 N ATOM 2 CA MET A 1 4.658 -1.157 -1.885 1.00 0.00 C ATOM 3 C MET A 1 4.549 -2.666 -2.083 1.00 0.00 C ATOM 4 O MET A 1 5.522 -3.398 -1.897 1.00 0.00 O ATOM 5 CB MET A 1 3.798 -0.424 -2.919 1.00 0.00 C ATOM 6 CG MET A 1 4.703 0.312 -3.908 1.00 0.00 C ATOM 7 SD MET A 1 4.574 -0.464 -5.538 1.00 0.00 S ATOM 8 CE MET A 1 2.898 0.099 -5.922 1.00 0.00 C ATOM 0 H1 MET A 1 6.155 0.289 -1.905 1.00 0.00 H new ATOM 0 H2 MET A 1 6.663 -1.225 -1.330 1.00 0.00 H new ATOM 0 H3 MET A 1 6.412 -0.989 -2.993 1.00 0.00 H new ATOM 0 HA MET A 1 4.305 -0.904 -0.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.164 -1.135 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.136 0.284 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.415 1.361 -3.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.736 0.285 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.895 0.598 -6.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.225 -0.758 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.563 0.796 -5.154 1.00 0.00 H new ATOM 16 N THR A 2 3.360 -3.128 -2.460 1.00 0.00 N ATOM 17 CA THR A 2 3.135 -4.553 -2.674 1.00 0.00 C ATOM 18 C THR A 2 2.819 -4.829 -4.142 1.00 0.00 C ATOM 19 O THR A 2 1.984 -4.156 -4.744 1.00 0.00 O ATOM 20 CB THR A 2 1.976 -5.039 -1.801 1.00 0.00 C ATOM 21 OG1 THR A 2 2.294 -4.821 -0.433 1.00 0.00 O ATOM 22 CG2 THR A 2 1.743 -6.532 -2.040 1.00 0.00 C ATOM 0 H THR A 2 2.543 -2.540 -2.623 1.00 0.00 H new ATOM 0 HA THR A 2 4.043 -5.090 -2.400 1.00 0.00 H new ATOM 0 HB THR A 2 1.071 -4.488 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.553 -5.130 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.917 -6.876 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.500 -6.699 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.646 -7.087 -1.784 1.00 0.00 H new ATOM 30 N THR A 3 3.502 -5.817 -4.712 1.00 0.00 N ATOM 31 CA THR A 3 3.293 -6.161 -6.115 1.00 0.00 C ATOM 32 C THR A 3 3.017 -7.651 -6.269 1.00 0.00 C ATOM 33 O THR A 3 3.522 -8.473 -5.506 1.00 0.00 O ATOM 34 CB THR A 3 4.534 -5.789 -6.930 1.00 0.00 C ATOM 35 OG1 THR A 3 4.248 -5.931 -8.314 1.00 0.00 O ATOM 36 CG2 THR A 3 5.693 -6.712 -6.550 1.00 0.00 C ATOM 0 H THR A 3 4.197 -6.388 -4.231 1.00 0.00 H new ATOM 0 HA THR A 3 2.431 -5.604 -6.481 1.00 0.00 H new ATOM 0 HB THR A 3 4.812 -4.756 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.041 -5.692 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.576 -6.446 -7.131 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.912 -6.603 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.419 -7.746 -6.760 1.00 0.00 H new ATOM 44 N PHE A 4 2.199 -7.984 -7.261 1.00 0.00 N ATOM 45 CA PHE A 4 1.841 -9.371 -7.514 1.00 0.00 C ATOM 46 C PHE A 4 2.413 -9.835 -8.848 1.00 0.00 C ATOM 47 O PHE A 4 2.398 -9.096 -9.833 1.00 0.00 O ATOM 48 CB PHE A 4 0.321 -9.512 -7.538 1.00 0.00 C ATOM 49 CG PHE A 4 -0.247 -9.157 -6.185 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.384 -10.144 -5.203 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.632 -7.839 -5.911 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.908 -9.815 -3.947 1.00 0.00 C ATOM 53 CE2 PHE A 4 -1.157 -7.510 -4.655 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.295 -8.497 -3.673 1.00 0.00 C ATOM 0 H PHE A 4 1.773 -7.313 -7.901 1.00 0.00 H new ATOM 0 HA PHE A 4 2.256 -9.989 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.102 -8.860 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.045 -10.533 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.085 -11.160 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.524 -7.076 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.014 -10.577 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.456 -6.494 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.700 -8.243 -2.704 1.00 0.00 H new ATOM 64 N THR A 5 2.921 -11.060 -8.870 1.00 0.00 N ATOM 65 CA THR A 5 3.502 -11.608 -10.087 1.00 0.00 C ATOM 66 C THR A 5 2.878 -12.959 -10.424 1.00 0.00 C ATOM 67 O THR A 5 2.356 -13.651 -9.550 1.00 0.00 O ATOM 68 CB THR A 5 5.010 -11.770 -9.906 1.00 0.00 C ATOM 69 OG1 THR A 5 5.263 -12.680 -8.846 1.00 0.00 O ATOM 70 CG2 THR A 5 5.635 -10.413 -9.576 1.00 0.00 C ATOM 0 H THR A 5 2.943 -11.688 -8.066 1.00 0.00 H new ATOM 0 HA THR A 5 3.301 -10.920 -10.908 1.00 0.00 H new ATOM 0 HB THR A 5 5.447 -12.154 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.230 -12.786 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.711 -10.530 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.441 -9.715 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.199 -10.026 -8.655 1.00 0.00 H new ATOM 78 N SER A 6 2.928 -13.323 -11.703 1.00 0.00 N ATOM 79 CA SER A 6 2.360 -14.590 -12.150 1.00 0.00 C ATOM 80 C SER A 6 3.032 -15.065 -13.434 1.00 0.00 C ATOM 81 O SER A 6 3.492 -14.259 -14.242 1.00 0.00 O ATOM 82 CB SER A 6 0.857 -14.429 -12.387 1.00 0.00 C ATOM 83 OG SER A 6 0.317 -15.666 -12.830 1.00 0.00 O ATOM 0 H SER A 6 3.353 -12.763 -12.442 1.00 0.00 H new ATOM 0 HA SER A 6 2.531 -15.335 -11.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.364 -14.112 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.675 -13.653 -13.130 1.00 0.00 H new ATOM 0 HG SER A 6 0.515 -16.364 -12.171 1.00 0.00 H new ATOM 89 N ILE A 7 3.076 -16.382 -13.619 1.00 0.00 N ATOM 90 CA ILE A 7 3.679 -16.972 -14.810 1.00 0.00 C ATOM 91 C ILE A 7 2.951 -18.271 -15.143 1.00 0.00 C ATOM 92 O ILE A 7 2.277 -18.839 -14.285 1.00 0.00 O ATOM 93 CB ILE A 7 5.162 -17.256 -14.564 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.008 -16.261 -15.363 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.490 -18.681 -15.011 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.401 -15.087 -14.464 1.00 0.00 C ATOM 0 H ILE A 7 2.700 -17.062 -12.958 1.00 0.00 H new ATOM 0 HA ILE A 7 3.592 -16.276 -15.644 1.00 0.00 H new ATOM 0 HB ILE A 7 5.382 -17.151 -13.502 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.901 -16.753 -15.747 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.447 -15.901 -16.225 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.547 -18.883 -14.836 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.886 -19.389 -14.443 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.271 -18.788 -16.073 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.003 -14.379 -15.033 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.502 -14.589 -14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.979 -15.455 -13.616 1.00 0.00 H new ATOM 108 N VAL A 8 3.068 -18.742 -16.382 1.00 0.00 N ATOM 109 CA VAL A 8 2.380 -19.972 -16.759 1.00 0.00 C ATOM 110 C VAL A 8 3.323 -21.172 -16.770 1.00 0.00 C ATOM 111 O VAL A 8 4.107 -21.361 -17.701 1.00 0.00 O ATOM 112 CB VAL A 8 1.750 -19.820 -18.142 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.060 -21.129 -18.531 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.718 -18.690 -18.110 1.00 0.00 C ATOM 0 H VAL A 8 3.616 -18.305 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 8 1.607 -20.151 -16.012 1.00 0.00 H new ATOM 0 HB VAL A 8 2.524 -19.584 -18.872 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.609 -21.023 -19.518 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.794 -21.935 -18.551 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.285 -21.362 -17.801 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.268 -18.581 -19.097 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.057 -18.926 -17.381 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.208 -17.758 -17.829 1.00 0.00 H new ATOM 124 N THR A 9 3.196 -21.997 -15.740 1.00 0.00 N ATOM 125 CA THR A 9 3.984 -23.217 -15.618 1.00 0.00 C ATOM 126 C THR A 9 3.206 -24.203 -14.767 1.00 0.00 C ATOM 127 O THR A 9 2.436 -23.786 -13.903 1.00 0.00 O ATOM 128 CB THR A 9 5.325 -22.935 -14.940 1.00 0.00 C ATOM 129 OG1 THR A 9 6.241 -23.974 -15.262 1.00 0.00 O ATOM 130 CG2 THR A 9 5.121 -22.903 -13.423 1.00 0.00 C ATOM 0 H THR A 9 2.547 -21.841 -14.968 1.00 0.00 H new ATOM 0 HA THR A 9 4.175 -23.619 -16.613 1.00 0.00 H new ATOM 0 HB THR A 9 5.717 -21.978 -15.284 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.103 -23.796 -14.830 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.073 -22.702 -12.932 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.409 -22.118 -13.168 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.735 -23.866 -13.087 1.00 0.00 H new ATOM 138 N THR A 10 3.413 -25.498 -14.955 1.00 0.00 N ATOM 139 CA THR A 10 2.704 -26.439 -14.109 1.00 0.00 C ATOM 140 C THR A 10 3.629 -27.532 -13.600 1.00 0.00 C ATOM 141 O THR A 10 3.826 -28.557 -14.255 1.00 0.00 O ATOM 142 CB THR A 10 1.558 -27.073 -14.899 1.00 0.00 C ATOM 143 OG1 THR A 10 1.307 -28.380 -14.401 1.00 0.00 O ATOM 144 CG2 THR A 10 1.941 -27.153 -16.378 1.00 0.00 C ATOM 0 H THR A 10 4.036 -25.905 -15.652 1.00 0.00 H new ATOM 0 HA THR A 10 2.313 -25.894 -13.250 1.00 0.00 H new ATOM 0 HB THR A 10 0.660 -26.465 -14.790 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.101 -28.938 -14.533 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.125 -27.605 -16.941 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.133 -26.150 -16.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.839 -27.761 -16.489 1.00 0.00 H new ATOM 152 N ASN A 11 4.199 -27.295 -12.425 1.00 0.00 N ATOM 153 CA ASN A 11 5.111 -28.255 -11.826 1.00 0.00 C ATOM 154 C ASN A 11 5.261 -27.994 -10.335 1.00 0.00 C ATOM 155 O ASN A 11 6.329 -27.604 -9.865 1.00 0.00 O ATOM 156 CB ASN A 11 6.473 -28.167 -12.510 1.00 0.00 C ATOM 157 CG ASN A 11 7.165 -29.519 -12.445 1.00 0.00 C ATOM 158 OD1 ASN A 11 7.989 -29.761 -11.563 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.855 -30.428 -13.326 1.00 0.00 N ATOM 0 H ASN A 11 4.046 -26.451 -11.873 1.00 0.00 H new ATOM 0 HA ASN A 11 4.702 -29.256 -11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.350 -27.860 -13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.087 -27.409 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.296 -31.347 -13.287 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.171 -30.220 -14.054 1.00 0.00 H new ATOM 166 N PRO A 12 4.217 -28.213 -9.592 1.00 0.00 N ATOM 167 CA PRO A 12 4.219 -28.013 -8.118 1.00 0.00 C ATOM 168 C PRO A 12 5.435 -28.664 -7.465 1.00 0.00 C ATOM 169 O PRO A 12 5.535 -29.888 -7.382 1.00 0.00 O ATOM 170 CB PRO A 12 2.915 -28.683 -7.650 1.00 0.00 C ATOM 171 CG PRO A 12 2.351 -29.386 -8.849 1.00 0.00 C ATOM 172 CD PRO A 12 2.916 -28.667 -10.068 1.00 0.00 C ATOM 0 HA PRO A 12 4.274 -26.959 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.108 -29.388 -6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.213 -27.943 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.634 -30.439 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.262 -29.349 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.008 -29.333 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.284 -27.835 -10.377 1.00 0.00 H new ATOM 180 N ASP A 13 6.349 -27.825 -7.000 1.00 0.00 N ATOM 181 CA ASP A 13 7.561 -28.307 -6.347 1.00 0.00 C ATOM 182 C ASP A 13 7.816 -27.551 -5.047 1.00 0.00 C ATOM 183 O ASP A 13 7.303 -26.450 -4.846 1.00 0.00 O ATOM 184 CB ASP A 13 8.759 -28.135 -7.283 1.00 0.00 C ATOM 185 CG ASP A 13 8.999 -26.655 -7.559 1.00 0.00 C ATOM 186 OD1 ASP A 13 8.287 -25.844 -6.989 1.00 0.00 O ATOM 187 OD2 ASP A 13 9.890 -26.354 -8.336 1.00 0.00 O ATOM 0 H ASP A 13 6.277 -26.809 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 13 7.427 -29.363 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.648 -28.578 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.578 -28.663 -8.219 1.00 0.00 H new ATOM 192 N PHE A 14 8.614 -28.150 -4.169 1.00 0.00 N ATOM 193 CA PHE A 14 8.931 -27.526 -2.891 1.00 0.00 C ATOM 194 C PHE A 14 7.670 -27.359 -2.053 1.00 0.00 C ATOM 195 O PHE A 14 6.937 -26.383 -2.209 1.00 0.00 O ATOM 196 CB PHE A 14 9.580 -26.159 -3.122 1.00 0.00 C ATOM 197 CG PHE A 14 10.869 -26.338 -3.887 1.00 0.00 C ATOM 198 CD1 PHE A 14 10.881 -26.203 -5.281 1.00 0.00 C ATOM 199 CD2 PHE A 14 12.053 -26.642 -3.204 1.00 0.00 C ATOM 200 CE1 PHE A 14 12.075 -26.370 -5.991 1.00 0.00 C ATOM 201 CE2 PHE A 14 13.249 -26.809 -3.914 1.00 0.00 C ATOM 202 CZ PHE A 14 13.259 -26.673 -5.308 1.00 0.00 C ATOM 0 H PHE A 14 9.050 -29.060 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 14 9.628 -28.170 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.902 -25.511 -3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.776 -25.671 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.968 -25.970 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.044 -26.748 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.083 -26.265 -7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 14 14.162 -27.042 -3.387 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.181 -26.802 -5.856 1.00 0.00 H new ATOM 212 N GLY A 15 7.424 -28.319 -1.168 1.00 0.00 N ATOM 213 CA GLY A 15 6.245 -28.270 -0.311 1.00 0.00 C ATOM 214 C GLY A 15 6.296 -27.053 0.607 1.00 0.00 C ATOM 215 O GLY A 15 6.463 -27.183 1.820 1.00 0.00 O ATOM 0 H GLY A 15 8.020 -29.134 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.345 -28.232 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.185 -29.180 0.286 1.00 0.00 H new ATOM 219 N GLY A 16 6.148 -25.874 0.016 1.00 0.00 N ATOM 220 CA GLY A 16 6.174 -24.633 0.782 1.00 0.00 C ATOM 221 C GLY A 16 4.891 -23.839 0.569 1.00 0.00 C ATOM 222 O GLY A 16 3.845 -24.405 0.249 1.00 0.00 O ATOM 0 H GLY A 16 6.009 -25.750 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.297 -24.857 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.033 -24.033 0.481 1.00 0.00 H new ATOM 226 N PHE A 17 4.978 -22.524 0.745 1.00 0.00 N ATOM 227 CA PHE A 17 3.814 -21.665 0.565 1.00 0.00 C ATOM 228 C PHE A 17 3.672 -21.267 -0.899 1.00 0.00 C ATOM 229 O PHE A 17 4.436 -20.451 -1.414 1.00 0.00 O ATOM 230 CB PHE A 17 3.946 -20.414 1.440 1.00 0.00 C ATOM 231 CG PHE A 17 5.218 -19.676 1.094 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.416 -20.012 1.736 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.199 -18.651 0.139 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.595 -19.324 1.420 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.377 -17.966 -0.175 1.00 0.00 C ATOM 236 CZ PHE A 17 7.575 -18.301 0.465 1.00 0.00 C ATOM 0 H PHE A 17 5.833 -22.035 1.009 1.00 0.00 H new ATOM 0 HA PHE A 17 2.922 -22.215 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.085 -19.762 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.953 -20.695 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.431 -20.800 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.275 -18.390 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.520 -19.583 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.362 -17.177 -0.913 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.484 -17.771 0.222 1.00 0.00 H new ATOM 246 N GLU A 18 2.680 -21.848 -1.565 1.00 0.00 N ATOM 247 CA GLU A 18 2.433 -21.544 -2.968 1.00 0.00 C ATOM 248 C GLU A 18 0.975 -21.807 -3.327 1.00 0.00 C ATOM 249 O GLU A 18 0.377 -22.774 -2.855 1.00 0.00 O ATOM 250 CB GLU A 18 3.341 -22.392 -3.858 1.00 0.00 C ATOM 251 CG GLU A 18 4.804 -22.095 -3.529 1.00 0.00 C ATOM 252 CD GLU A 18 5.142 -20.655 -3.904 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.422 -20.089 -4.710 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.116 -20.141 -3.379 1.00 0.00 O ATOM 0 H GLU A 18 2.038 -22.528 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 18 2.650 -20.489 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.131 -23.451 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.143 -22.176 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.986 -22.255 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.454 -22.782 -4.071 1.00 0.00 H new ATOM 261 N PHE A 19 0.407 -20.944 -4.159 1.00 0.00 N ATOM 262 CA PHE A 19 -0.983 -21.101 -4.567 1.00 0.00 C ATOM 263 C PHE A 19 -1.096 -21.124 -6.088 1.00 0.00 C ATOM 264 O PHE A 19 -0.544 -20.263 -6.774 1.00 0.00 O ATOM 265 CB PHE A 19 -1.823 -19.951 -4.014 1.00 0.00 C ATOM 266 CG PHE A 19 -3.262 -20.140 -4.431 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.773 -19.444 -5.535 1.00 0.00 C ATOM 268 CD2 PHE A 19 -4.086 -21.016 -3.713 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.107 -19.625 -5.918 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.420 -21.194 -4.097 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.930 -20.500 -5.200 1.00 0.00 C ATOM 0 H PHE A 19 0.881 -20.136 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.352 -22.047 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.748 -19.920 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.446 -18.998 -4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.138 -18.769 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.692 -21.554 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.502 -19.089 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.056 -21.867 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.959 -20.640 -5.497 1.00 0.00 H new ATOM 281 N TYR A 20 -1.817 -22.111 -6.607 1.00 0.00 N ATOM 282 CA TYR A 20 -2.000 -22.233 -8.048 1.00 0.00 C ATOM 283 C TYR A 20 -3.485 -22.307 -8.390 1.00 0.00 C ATOM 284 O TYR A 20 -4.262 -22.941 -7.678 1.00 0.00 O ATOM 285 CB TYR A 20 -1.295 -23.491 -8.559 1.00 0.00 C ATOM 286 CG TYR A 20 0.185 -23.389 -8.277 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.032 -22.761 -9.198 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.711 -23.924 -7.095 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.404 -22.666 -8.937 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.084 -23.831 -6.834 1.00 0.00 C ATOM 291 CZ TYR A 20 2.930 -23.201 -7.754 1.00 0.00 C ATOM 292 OH TYR A 20 4.283 -23.109 -7.497 1.00 0.00 O ATOM 0 H TYR A 20 -2.281 -22.833 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.568 -21.355 -8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.708 -24.375 -8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.465 -23.606 -9.629 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.627 -22.350 -10.111 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.058 -24.409 -6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.057 -22.180 -9.647 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.490 -24.245 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 20 4.481 -23.529 -6.634 1.00 0.00 H new ATOM 302 N VAL A 21 -3.874 -21.648 -9.478 1.00 0.00 N ATOM 303 CA VAL A 21 -5.273 -21.645 -9.892 1.00 0.00 C ATOM 304 C VAL A 21 -5.498 -22.611 -11.049 1.00 0.00 C ATOM 305 O VAL A 21 -4.886 -22.483 -12.109 1.00 0.00 O ATOM 306 CB VAL A 21 -5.691 -20.239 -10.326 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.141 -20.264 -10.808 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.571 -19.275 -9.142 1.00 0.00 C ATOM 0 H VAL A 21 -3.248 -21.115 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.876 -21.962 -9.041 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.040 -19.905 -11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.439 -19.262 -11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.232 -20.947 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.788 -20.601 -9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.870 -18.275 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.219 -19.610 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.538 -19.253 -8.794 1.00 0.00 H new ATOM 318 N GLU A 22 -6.397 -23.569 -10.841 1.00 0.00 N ATOM 319 CA GLU A 22 -6.715 -24.544 -11.877 1.00 0.00 C ATOM 320 C GLU A 22 -7.400 -23.849 -13.046 1.00 0.00 C ATOM 321 O GLU A 22 -8.219 -22.953 -12.848 1.00 0.00 O ATOM 322 CB GLU A 22 -7.632 -25.631 -11.313 1.00 0.00 C ATOM 323 CG GLU A 22 -7.976 -26.630 -12.419 1.00 0.00 C ATOM 324 CD GLU A 22 -6.709 -27.316 -12.918 1.00 0.00 C ATOM 325 OE1 GLU A 22 -6.743 -27.859 -14.010 1.00 0.00 O ATOM 326 OE2 GLU A 22 -5.723 -27.288 -12.201 1.00 0.00 O ATOM 0 H GLU A 22 -6.914 -23.690 -9.970 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.790 -25.005 -12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.141 -26.143 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.543 -25.184 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.678 -27.374 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.469 -26.116 -13.244 1.00 0.00 H new ATOM 333 N ALA A 23 -7.058 -24.254 -14.263 1.00 0.00 N ATOM 334 CA ALA A 23 -7.655 -23.638 -15.439 1.00 0.00 C ATOM 335 C ALA A 23 -9.169 -23.560 -15.275 1.00 0.00 C ATOM 336 O ALA A 23 -9.826 -24.559 -14.982 1.00 0.00 O ATOM 337 CB ALA A 23 -7.314 -24.451 -16.689 1.00 0.00 C ATOM 0 H ALA A 23 -6.383 -24.993 -14.459 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.254 -22.630 -15.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.766 -23.981 -17.563 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.232 -24.488 -16.815 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.701 -25.464 -16.581 1.00 0.00 H new ATOM 343 N GLY A 24 -9.710 -22.362 -15.464 1.00 0.00 N ATOM 344 CA GLY A 24 -11.147 -22.155 -15.332 1.00 0.00 C ATOM 345 C GLY A 24 -11.567 -22.166 -13.863 1.00 0.00 C ATOM 346 O GLY A 24 -12.752 -22.270 -13.550 1.00 0.00 O ATOM 0 H GLY A 24 -9.180 -21.525 -15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.425 -21.204 -15.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.682 -22.935 -15.873 1.00 0.00 H new ATOM 350 N GLN A 25 -10.588 -22.067 -12.967 1.00 0.00 N ATOM 351 CA GLN A 25 -10.871 -22.074 -11.535 1.00 0.00 C ATOM 352 C GLN A 25 -10.739 -20.672 -10.953 1.00 0.00 C ATOM 353 O GLN A 25 -9.721 -20.006 -11.139 1.00 0.00 O ATOM 354 CB GLN A 25 -9.904 -23.020 -10.817 1.00 0.00 C ATOM 355 CG GLN A 25 -10.301 -23.137 -9.344 1.00 0.00 C ATOM 356 CD GLN A 25 -11.697 -23.740 -9.224 1.00 0.00 C ATOM 357 OE1 GLN A 25 -11.949 -24.831 -9.737 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.625 -23.092 -8.574 1.00 0.00 N ATOM 0 H GLN A 25 -9.600 -21.982 -13.205 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.895 -22.419 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.923 -24.003 -11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.884 -22.646 -10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.581 -23.760 -8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.279 -22.154 -8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.414 -22.189 -8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.561 -23.489 -8.490 1.00 0.00 H new ATOM 367 N GLN A 26 -11.778 -20.225 -10.254 1.00 0.00 N ATOM 368 CA GLN A 26 -11.766 -18.896 -9.655 1.00 0.00 C ATOM 369 C GLN A 26 -10.721 -18.806 -8.549 1.00 0.00 C ATOM 370 O GLN A 26 -10.633 -19.678 -7.686 1.00 0.00 O ATOM 371 CB GLN A 26 -13.144 -18.568 -9.078 1.00 0.00 C ATOM 372 CG GLN A 26 -13.139 -17.140 -8.528 1.00 0.00 C ATOM 373 CD GLN A 26 -14.525 -16.778 -8.007 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.465 -17.562 -8.137 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.710 -15.627 -7.419 1.00 0.00 N ATOM 0 H GLN A 26 -12.632 -20.759 -10.090 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.514 -18.177 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.907 -18.669 -9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.396 -19.273 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.406 -17.053 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.841 -16.441 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.930 -14.978 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.634 -15.377 -7.067 1.00 0.00 H new ATOM 384 N PHE A 27 -9.937 -17.737 -8.587 1.00 0.00 N ATOM 385 CA PHE A 27 -8.896 -17.526 -7.589 1.00 0.00 C ATOM 386 C PHE A 27 -9.508 -17.153 -6.244 1.00 0.00 C ATOM 387 O PHE A 27 -10.197 -16.140 -6.124 1.00 0.00 O ATOM 388 CB PHE A 27 -7.967 -16.401 -8.046 1.00 0.00 C ATOM 389 CG PHE A 27 -6.940 -16.123 -6.974 1.00 0.00 C ATOM 390 CD1 PHE A 27 -7.133 -15.063 -6.079 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.792 -16.919 -6.875 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.181 -14.800 -5.087 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.840 -16.656 -5.883 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.035 -15.598 -4.989 1.00 0.00 C ATOM 0 H PHE A 27 -10.001 -17.005 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.333 -18.452 -7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.471 -16.681 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.545 -15.500 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.017 -14.448 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.641 -17.736 -7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.331 -13.982 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.955 -17.270 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.301 -15.397 -4.223 1.00 0.00 H new ATOM 404 N ASP A 28 -9.247 -17.973 -5.231 1.00 0.00 N ATOM 405 CA ASP A 28 -9.774 -17.710 -3.897 1.00 0.00 C ATOM 406 C ASP A 28 -8.814 -16.811 -3.129 1.00 0.00 C ATOM 407 O ASP A 28 -7.802 -17.274 -2.601 1.00 0.00 O ATOM 408 CB ASP A 28 -9.969 -19.025 -3.142 1.00 0.00 C ATOM 409 CG ASP A 28 -10.554 -18.753 -1.761 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.694 -18.323 -1.697 1.00 0.00 O ATOM 411 OD2 ASP A 28 -9.855 -18.979 -0.787 1.00 0.00 O ATOM 0 H ASP A 28 -8.679 -18.817 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.737 -17.208 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.633 -19.681 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.015 -19.543 -3.046 1.00 0.00 H new ATOM 416 N ASP A 29 -9.130 -15.523 -3.085 1.00 0.00 N ATOM 417 CA ASP A 29 -8.283 -14.559 -2.395 1.00 0.00 C ATOM 418 C ASP A 29 -8.354 -14.733 -0.882 1.00 0.00 C ATOM 419 O ASP A 29 -7.450 -14.310 -0.162 1.00 0.00 O ATOM 420 CB ASP A 29 -8.716 -13.139 -2.759 1.00 0.00 C ATOM 421 CG ASP A 29 -10.161 -12.909 -2.332 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.738 -13.813 -1.750 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.670 -11.831 -2.589 1.00 0.00 O ATOM 0 H ASP A 29 -9.963 -15.123 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.254 -14.732 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.064 -12.415 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.616 -12.984 -3.833 1.00 0.00 H new ATOM 428 N SER A 30 -9.428 -15.347 -0.396 1.00 0.00 N ATOM 429 CA SER A 30 -9.573 -15.544 1.040 1.00 0.00 C ATOM 430 C SER A 30 -8.522 -16.516 1.564 1.00 0.00 C ATOM 431 O SER A 30 -7.920 -16.284 2.612 1.00 0.00 O ATOM 432 CB SER A 30 -10.969 -16.085 1.354 1.00 0.00 C ATOM 433 OG SER A 30 -11.135 -17.351 0.730 1.00 0.00 O ATOM 0 H SER A 30 -10.195 -15.710 -0.962 1.00 0.00 H new ATOM 0 HA SER A 30 -9.434 -14.581 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.101 -16.178 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.729 -15.389 0.999 1.00 0.00 H new ATOM 0 HG SER A 30 -11.669 -17.246 -0.085 1.00 0.00 H new ATOM 439 N ALA A 31 -8.302 -17.605 0.832 1.00 0.00 N ATOM 440 CA ALA A 31 -7.313 -18.599 1.239 1.00 0.00 C ATOM 441 C ALA A 31 -5.896 -18.062 1.075 1.00 0.00 C ATOM 442 O ALA A 31 -5.033 -18.284 1.925 1.00 0.00 O ATOM 443 CB ALA A 31 -7.478 -19.871 0.406 1.00 0.00 C ATOM 0 H ALA A 31 -8.790 -17.820 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.476 -18.827 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.737 -20.607 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.478 -20.277 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.337 -19.636 -0.649 1.00 0.00 H new ATOM 449 N TYR A 32 -5.662 -17.368 -0.034 1.00 0.00 N ATOM 450 CA TYR A 32 -4.343 -16.813 -0.317 1.00 0.00 C ATOM 451 C TYR A 32 -3.932 -15.820 0.764 1.00 0.00 C ATOM 452 O TYR A 32 -2.821 -15.883 1.291 1.00 0.00 O ATOM 453 CB TYR A 32 -4.350 -16.109 -1.672 1.00 0.00 C ATOM 454 CG TYR A 32 -2.964 -15.600 -1.983 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.573 -14.325 -1.560 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.071 -16.402 -2.704 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.289 -13.851 -1.856 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.787 -15.928 -2.999 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.396 -14.653 -2.576 1.00 0.00 C ATOM 460 OH TYR A 32 0.868 -14.187 -2.869 1.00 0.00 O ATOM 0 H TYR A 32 -6.365 -17.177 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.626 -17.634 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.679 -16.798 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.059 -15.281 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.262 -13.706 -1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.372 -17.386 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.988 -12.867 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.098 -16.547 -3.554 1.00 0.00 H new ATOM 0 HH TYR A 32 1.535 -14.742 -2.414 1.00 0.00 H new ATOM 470 N GLU A 33 -4.837 -14.904 1.091 1.00 0.00 N ATOM 471 CA GLU A 33 -4.551 -13.905 2.111 1.00 0.00 C ATOM 472 C GLU A 33 -4.408 -14.573 3.473 1.00 0.00 C ATOM 473 O GLU A 33 -3.658 -14.108 4.326 1.00 0.00 O ATOM 474 CB GLU A 33 -5.671 -12.865 2.160 1.00 0.00 C ATOM 475 CG GLU A 33 -6.950 -13.513 2.692 1.00 0.00 C ATOM 476 CD GLU A 33 -8.097 -12.509 2.659 1.00 0.00 C ATOM 477 OE1 GLU A 33 -7.867 -11.391 2.226 1.00 0.00 O ATOM 478 OE2 GLU A 33 -9.188 -12.873 3.065 1.00 0.00 O ATOM 0 H GLU A 33 -5.763 -14.833 0.670 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.615 -13.407 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.380 -12.032 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.845 -12.456 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.203 -14.386 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.792 -13.864 3.712 1.00 0.00 H new ATOM 485 N GLU A 34 -5.154 -15.651 3.675 1.00 0.00 N ATOM 486 CA GLU A 34 -5.109 -16.359 4.950 1.00 0.00 C ATOM 487 C GLU A 34 -3.701 -16.882 5.239 1.00 0.00 C ATOM 488 O GLU A 34 -3.167 -16.668 6.326 1.00 0.00 O ATOM 489 CB GLU A 34 -6.095 -17.528 4.932 1.00 0.00 C ATOM 490 CG GLU A 34 -6.062 -18.245 6.284 1.00 0.00 C ATOM 491 CD GLU A 34 -7.073 -19.388 6.294 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.174 -20.055 7.310 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.728 -19.581 5.283 1.00 0.00 O ATOM 0 H GLU A 34 -5.789 -16.051 2.984 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.386 -15.657 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.102 -17.165 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.837 -18.223 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.061 -18.632 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.289 -17.541 7.084 1.00 0.00 H new ATOM 500 N ALA A 35 -3.101 -17.564 4.264 1.00 0.00 N ATOM 501 CA ALA A 35 -1.753 -18.097 4.447 1.00 0.00 C ATOM 502 C ALA A 35 -0.732 -16.966 4.573 1.00 0.00 C ATOM 503 O ALA A 35 0.126 -16.981 5.455 1.00 0.00 O ATOM 504 CB ALA A 35 -1.381 -18.991 3.263 1.00 0.00 C ATOM 0 H ALA A 35 -3.519 -17.758 3.354 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.740 -18.682 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.375 -19.385 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.088 -19.818 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.415 -18.408 2.342 1.00 0.00 H new ATOM 510 N TYR A 36 -0.833 -15.994 3.673 1.00 0.00 N ATOM 511 CA TYR A 36 0.084 -14.858 3.671 1.00 0.00 C ATOM 512 C TYR A 36 -0.269 -13.872 4.778 1.00 0.00 C ATOM 513 O TYR A 36 0.576 -13.095 5.224 1.00 0.00 O ATOM 514 CB TYR A 36 0.046 -14.148 2.316 1.00 0.00 C ATOM 515 CG TYR A 36 0.707 -15.017 1.271 1.00 0.00 C ATOM 516 CD1 TYR A 36 2.104 -15.092 1.208 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.073 -15.746 0.367 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.720 -15.895 0.240 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.542 -16.549 -0.602 1.00 0.00 C ATOM 520 CZ TYR A 36 1.939 -16.624 -0.665 1.00 0.00 C ATOM 521 OH TYR A 36 2.545 -17.415 -1.618 1.00 0.00 O ATOM 0 H TYR A 36 -1.539 -15.969 2.937 1.00 0.00 H new ATOM 0 HA TYR A 36 1.090 -15.237 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.985 -13.940 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.558 -13.188 2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.707 -14.530 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.150 -15.690 0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.797 -15.952 0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.061 -17.110 -1.300 1.00 0.00 H new ATOM 0 HH TYR A 36 1.859 -17.853 -2.164 1.00 0.00 H new ATOM 531 N GLY A 37 -1.521 -13.907 5.212 1.00 0.00 N ATOM 532 CA GLY A 37 -1.980 -13.009 6.264 1.00 0.00 C ATOM 533 C GLY A 37 -2.191 -11.599 5.722 1.00 0.00 C ATOM 534 O GLY A 37 -2.255 -10.635 6.485 1.00 0.00 O ATOM 0 H GLY A 37 -2.234 -14.543 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.912 -13.384 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.250 -12.987 7.073 1.00 0.00 H new ATOM 538 N VAL A 38 -2.304 -11.485 4.401 1.00 0.00 N ATOM 539 CA VAL A 38 -2.511 -10.178 3.783 1.00 0.00 C ATOM 540 C VAL A 38 -3.617 -10.226 2.732 1.00 0.00 C ATOM 541 O VAL A 38 -3.731 -11.187 1.972 1.00 0.00 O ATOM 542 CB VAL A 38 -1.212 -9.700 3.133 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.137 -9.524 4.206 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.745 -10.737 2.109 1.00 0.00 C ATOM 0 H VAL A 38 -2.257 -12.267 3.748 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.813 -9.482 4.566 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.385 -8.746 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.788 -9.183 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.469 -8.786 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.037 -10.477 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.181 -10.398 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.573 -11.690 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.510 -10.862 1.343 1.00 0.00 H new ATOM 554 N SER A 39 -4.425 -9.172 2.702 1.00 0.00 N ATOM 555 CA SER A 39 -5.528 -9.076 1.749 1.00 0.00 C ATOM 556 C SER A 39 -5.007 -9.043 0.315 1.00 0.00 C ATOM 557 O SER A 39 -3.969 -8.443 0.034 1.00 0.00 O ATOM 558 CB SER A 39 -6.344 -7.812 2.025 1.00 0.00 C ATOM 559 OG SER A 39 -7.370 -7.694 1.048 1.00 0.00 O ATOM 0 H SER A 39 -4.338 -8.370 3.327 1.00 0.00 H new ATOM 0 HA SER A 39 -6.161 -9.955 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.780 -7.857 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.698 -6.935 1.998 1.00 0.00 H new ATOM 0 HG SER A 39 -7.896 -6.886 1.222 1.00 0.00 H new ATOM 565 N VAL A 40 -5.740 -9.690 -0.587 1.00 0.00 N ATOM 566 CA VAL A 40 -5.353 -9.729 -1.994 1.00 0.00 C ATOM 567 C VAL A 40 -6.253 -8.811 -2.815 1.00 0.00 C ATOM 568 O VAL A 40 -7.459 -9.037 -2.914 1.00 0.00 O ATOM 569 CB VAL A 40 -5.460 -11.157 -2.527 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.020 -11.189 -3.991 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.558 -12.079 -1.706 1.00 0.00 C ATOM 0 H VAL A 40 -6.601 -10.192 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.321 -9.388 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.493 -11.496 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.096 -12.208 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.662 -10.533 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.987 -10.849 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.635 -13.097 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.525 -11.740 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.870 -12.058 -0.662 1.00 0.00 H new ATOM 581 N PRO A 41 -5.695 -7.783 -3.395 1.00 0.00 N ATOM 582 CA PRO A 41 -6.468 -6.801 -4.219 1.00 0.00 C ATOM 583 C PRO A 41 -7.228 -7.474 -5.364 1.00 0.00 C ATOM 584 O PRO A 41 -6.719 -8.388 -6.011 1.00 0.00 O ATOM 585 CB PRO A 41 -5.387 -5.861 -4.763 1.00 0.00 C ATOM 586 CG PRO A 41 -4.255 -5.982 -3.802 1.00 0.00 C ATOM 587 CD PRO A 41 -4.270 -7.431 -3.330 1.00 0.00 C ATOM 0 HA PRO A 41 -7.234 -6.291 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.083 -6.149 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.749 -4.834 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.307 -5.736 -4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.377 -5.296 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.666 -8.071 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.875 -7.531 -2.319 1.00 0.00 H new ATOM 595 N SER A 42 -8.456 -7.018 -5.588 1.00 0.00 N ATOM 596 CA SER A 42 -9.305 -7.578 -6.637 1.00 0.00 C ATOM 597 C SER A 42 -8.670 -7.417 -8.016 1.00 0.00 C ATOM 598 O SER A 42 -8.795 -8.295 -8.868 1.00 0.00 O ATOM 599 CB SER A 42 -10.669 -6.889 -6.623 1.00 0.00 C ATOM 600 OG SER A 42 -11.342 -7.207 -5.413 1.00 0.00 O ATOM 0 H SER A 42 -8.887 -6.261 -5.057 1.00 0.00 H new ATOM 0 HA SER A 42 -9.423 -8.643 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.545 -5.810 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.262 -7.213 -7.478 1.00 0.00 H new ATOM 0 HG SER A 42 -12.217 -6.765 -5.399 1.00 0.00 H new ATOM 606 N ALA A 43 -8.009 -6.287 -8.240 1.00 0.00 N ATOM 607 CA ALA A 43 -7.388 -6.030 -9.535 1.00 0.00 C ATOM 608 C ALA A 43 -6.368 -7.113 -9.874 1.00 0.00 C ATOM 609 O ALA A 43 -6.273 -7.545 -11.022 1.00 0.00 O ATOM 610 CB ALA A 43 -6.697 -4.665 -9.518 1.00 0.00 C ATOM 0 H ALA A 43 -7.890 -5.543 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.169 -6.037 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.235 -4.479 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.432 -3.887 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.930 -4.655 -8.743 1.00 0.00 H new ATOM 616 N VAL A 44 -5.604 -7.549 -8.880 1.00 0.00 N ATOM 617 CA VAL A 44 -4.606 -8.586 -9.111 1.00 0.00 C ATOM 618 C VAL A 44 -5.270 -9.958 -9.232 1.00 0.00 C ATOM 619 O VAL A 44 -4.834 -10.802 -10.015 1.00 0.00 O ATOM 620 CB VAL A 44 -3.587 -8.603 -7.969 1.00 0.00 C ATOM 621 CG1 VAL A 44 -2.864 -7.257 -7.913 1.00 0.00 C ATOM 622 CG2 VAL A 44 -4.306 -8.848 -6.641 1.00 0.00 C ATOM 0 H VAL A 44 -5.654 -7.207 -7.920 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.093 -8.363 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.864 -9.400 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.138 -7.268 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.349 -7.081 -8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.589 -6.461 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.578 -8.860 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.030 -8.052 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.823 -9.807 -6.679 1.00 0.00 H new ATOM 632 N VAL A 45 -6.323 -10.174 -8.447 1.00 0.00 N ATOM 633 CA VAL A 45 -7.044 -11.445 -8.463 1.00 0.00 C ATOM 634 C VAL A 45 -7.712 -11.701 -9.813 1.00 0.00 C ATOM 635 O VAL A 45 -7.673 -12.819 -10.326 1.00 0.00 O ATOM 636 CB VAL A 45 -8.110 -11.447 -7.368 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.007 -12.676 -7.528 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.431 -11.490 -5.998 1.00 0.00 C ATOM 0 H VAL A 45 -6.696 -9.486 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.318 -12.238 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.714 -10.543 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.767 -12.676 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.491 -12.649 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.403 -13.580 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.190 -11.491 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.827 -12.394 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.791 -10.615 -5.881 1.00 0.00 H new ATOM 648 N GLU A 46 -8.341 -10.673 -10.377 1.00 0.00 N ATOM 649 CA GLU A 46 -9.025 -10.833 -11.656 1.00 0.00 C ATOM 650 C GLU A 46 -8.043 -11.239 -12.749 1.00 0.00 C ATOM 651 O GLU A 46 -8.351 -12.098 -13.576 1.00 0.00 O ATOM 652 CB GLU A 46 -9.726 -9.530 -12.049 1.00 0.00 C ATOM 653 CG GLU A 46 -8.686 -8.429 -12.256 1.00 0.00 C ATOM 654 CD GLU A 46 -9.380 -7.120 -12.619 1.00 0.00 C ATOM 655 OE1 GLU A 46 -10.598 -7.119 -12.692 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.683 -6.139 -12.818 1.00 0.00 O ATOM 0 H GLU A 46 -8.391 -9.736 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.769 -11.622 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.302 -9.677 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.431 -9.236 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.096 -8.299 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.994 -8.715 -13.048 1.00 0.00 H new ATOM 663 N GLU A 47 -6.865 -10.623 -12.760 1.00 0.00 N ATOM 664 CA GLU A 47 -5.871 -10.946 -13.774 1.00 0.00 C ATOM 665 C GLU A 47 -5.479 -12.415 -13.676 1.00 0.00 C ATOM 666 O GLU A 47 -5.348 -13.100 -14.690 1.00 0.00 O ATOM 667 CB GLU A 47 -4.629 -10.071 -13.593 1.00 0.00 C ATOM 668 CG GLU A 47 -4.960 -8.627 -13.976 1.00 0.00 C ATOM 669 CD GLU A 47 -3.786 -7.716 -13.634 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.896 -8.167 -12.930 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.794 -6.581 -14.080 1.00 0.00 O ATOM 0 H GLU A 47 -6.580 -9.909 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.303 -10.755 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.288 -10.115 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.814 -10.445 -14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.180 -8.566 -15.042 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.854 -8.297 -13.446 1.00 0.00 H new ATOM 678 N MET A 48 -5.314 -12.900 -12.449 1.00 0.00 N ATOM 679 CA MET A 48 -4.961 -14.297 -12.240 1.00 0.00 C ATOM 680 C MET A 48 -6.100 -15.194 -12.710 1.00 0.00 C ATOM 681 O MET A 48 -5.877 -16.235 -13.325 1.00 0.00 O ATOM 682 CB MET A 48 -4.682 -14.551 -10.757 1.00 0.00 C ATOM 683 CG MET A 48 -3.406 -13.813 -10.344 1.00 0.00 C ATOM 684 SD MET A 48 -2.015 -14.407 -11.337 1.00 0.00 S ATOM 685 CE MET A 48 -1.983 -13.038 -12.520 1.00 0.00 C ATOM 0 H MET A 48 -5.418 -12.353 -11.595 1.00 0.00 H new ATOM 0 HA MET A 48 -4.063 -14.525 -12.815 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.524 -14.210 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.572 -15.620 -10.575 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.533 -12.739 -10.483 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.206 -13.976 -9.285 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.197 -13.416 -13.520 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.735 -12.299 -12.242 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.997 -12.573 -12.512 1.00 0.00 H new ATOM 695 N ASN A 49 -7.326 -14.764 -12.424 1.00 0.00 N ATOM 696 CA ASN A 49 -8.509 -15.515 -12.825 1.00 0.00 C ATOM 697 C ASN A 49 -8.616 -15.563 -14.345 1.00 0.00 C ATOM 698 O ASN A 49 -8.984 -16.585 -14.923 1.00 0.00 O ATOM 699 CB ASN A 49 -9.765 -14.861 -12.244 1.00 0.00 C ATOM 700 CG ASN A 49 -9.820 -15.087 -10.737 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.169 -15.995 -10.221 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.563 -14.310 -9.997 1.00 0.00 N ATOM 0 H ASN A 49 -7.525 -13.901 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.421 -16.532 -12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.762 -13.793 -12.460 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.654 -15.279 -12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.605 -14.454 -8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.101 -13.558 -10.428 1.00 0.00 H new ATOM 709 N ALA A 50 -8.286 -14.445 -14.982 1.00 0.00 N ATOM 710 CA ALA A 50 -8.342 -14.361 -16.437 1.00 0.00 C ATOM 711 C ALA A 50 -7.381 -15.366 -17.059 1.00 0.00 C ATOM 712 O ALA A 50 -7.708 -16.028 -18.043 1.00 0.00 O ATOM 713 CB ALA A 50 -7.979 -12.948 -16.895 1.00 0.00 C ATOM 0 H ALA A 50 -7.979 -13.590 -14.518 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.357 -14.592 -16.761 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.024 -12.895 -17.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.684 -12.235 -16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.970 -12.705 -16.561 1.00 0.00 H new ATOM 719 N LYS A 51 -6.192 -15.471 -16.476 1.00 0.00 N ATOM 720 CA LYS A 51 -5.187 -16.398 -16.977 1.00 0.00 C ATOM 721 C LYS A 51 -5.683 -17.837 -16.870 1.00 0.00 C ATOM 722 O LYS A 51 -5.473 -18.643 -17.772 1.00 0.00 O ATOM 723 CB LYS A 51 -3.886 -16.239 -16.187 1.00 0.00 C ATOM 724 CG LYS A 51 -3.245 -14.892 -16.531 1.00 0.00 C ATOM 725 CD LYS A 51 -1.943 -14.729 -15.744 1.00 0.00 C ATOM 726 CE LYS A 51 -1.297 -13.387 -16.098 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.034 -13.225 -15.324 1.00 0.00 N ATOM 0 H LYS A 51 -5.903 -14.929 -15.662 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.001 -16.170 -18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.088 -16.296 -15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.201 -17.052 -16.426 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.045 -14.835 -17.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.931 -14.079 -16.292 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.144 -14.777 -14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.260 -15.546 -15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.089 -13.342 -17.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.982 -12.570 -15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.707 -12.843 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.194 -12.570 -14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.267 -14.149 -14.954 1.00 0.00 H new ATOM 741 N ALA A 52 -6.351 -18.156 -15.768 1.00 0.00 N ATOM 742 CA ALA A 52 -6.874 -19.502 -15.574 1.00 0.00 C ATOM 743 C ALA A 52 -7.891 -19.838 -16.658 1.00 0.00 C ATOM 744 O ALA A 52 -7.937 -20.962 -17.157 1.00 0.00 O ATOM 745 CB ALA A 52 -7.537 -19.613 -14.199 1.00 0.00 C ATOM 0 H ALA A 52 -6.542 -17.509 -15.003 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.045 -20.207 -15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.925 -20.622 -14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.803 -19.399 -13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.356 -18.897 -14.131 1.00 0.00 H new ATOM 751 N ALA A 53 -8.699 -18.849 -17.025 1.00 0.00 N ATOM 752 CA ALA A 53 -9.707 -19.034 -18.060 1.00 0.00 C ATOM 753 C ALA A 53 -9.055 -19.337 -19.407 1.00 0.00 C ATOM 754 O ALA A 53 -9.546 -20.164 -20.174 1.00 0.00 O ATOM 755 CB ALA A 53 -10.570 -17.776 -18.181 1.00 0.00 C ATOM 0 H ALA A 53 -8.675 -17.913 -16.621 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.333 -19.880 -17.777 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.321 -17.923 -18.957 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.065 -17.581 -17.230 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.940 -16.926 -18.443 1.00 0.00 H new ATOM 761 N GLN A 54 -7.944 -18.657 -19.687 1.00 0.00 N ATOM 762 CA GLN A 54 -7.234 -18.864 -20.946 1.00 0.00 C ATOM 763 C GLN A 54 -6.370 -20.119 -20.877 1.00 0.00 C ATOM 764 O GLN A 54 -6.009 -20.693 -21.905 1.00 0.00 O ATOM 765 CB GLN A 54 -6.359 -17.650 -21.272 1.00 0.00 C ATOM 766 CG GLN A 54 -5.152 -17.611 -20.336 1.00 0.00 C ATOM 767 CD GLN A 54 -4.171 -16.539 -20.799 1.00 0.00 C ATOM 768 OE1 GLN A 54 -4.080 -16.254 -21.993 1.00 0.00 O ATOM 769 NE2 GLN A 54 -3.419 -15.930 -19.923 1.00 0.00 N ATOM 0 H GLN A 54 -7.521 -17.966 -19.067 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.975 -18.991 -21.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.025 -17.700 -22.308 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.940 -16.734 -21.168 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.478 -17.403 -19.317 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.661 -18.584 -20.321 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.495 -16.166 -18.934 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.756 -15.218 -20.228 1.00 0.00 H new ATOM 778 N LEU A 55 -6.034 -20.539 -19.660 1.00 0.00 N ATOM 779 CA LEU A 55 -5.205 -21.726 -19.470 1.00 0.00 C ATOM 780 C LEU A 55 -6.010 -23.007 -19.663 1.00 0.00 C ATOM 781 O LEU A 55 -7.152 -23.112 -19.217 1.00 0.00 O ATOM 782 CB LEU A 55 -4.592 -21.716 -18.068 1.00 0.00 C ATOM 783 CG LEU A 55 -3.507 -20.641 -17.990 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.094 -20.436 -16.530 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.290 -21.094 -18.798 1.00 0.00 C ATOM 0 H LEU A 55 -6.321 -20.079 -18.796 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.415 -21.703 -20.220 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.364 -21.522 -17.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.167 -22.693 -17.839 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.892 -19.705 -18.395 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.321 -19.670 -16.475 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.960 -20.120 -15.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.707 -21.372 -16.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.514 -20.331 -18.745 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.908 -22.029 -18.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.580 -21.246 -19.838 1.00 0.00 H new ATOM 797 N LYS A 56 -5.392 -23.978 -20.326 1.00 0.00 N ATOM 798 CA LYS A 56 -6.034 -25.263 -20.577 1.00 0.00 C ATOM 799 C LYS A 56 -5.716 -26.238 -19.448 1.00 0.00 C ATOM 800 O LYS A 56 -4.849 -25.974 -18.617 1.00 0.00 O ATOM 801 CB LYS A 56 -5.549 -25.840 -21.908 1.00 0.00 C ATOM 802 CG LYS A 56 -5.988 -24.924 -23.052 1.00 0.00 C ATOM 803 CD LYS A 56 -5.509 -25.503 -24.384 1.00 0.00 C ATOM 804 CE LYS A 56 -5.911 -24.564 -25.523 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.398 -24.476 -25.592 1.00 0.00 N ATOM 0 H LYS A 56 -4.446 -23.900 -20.700 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.112 -25.112 -20.624 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.463 -25.936 -21.901 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.956 -26.841 -22.053 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.073 -24.825 -23.056 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.577 -23.924 -22.909 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.427 -25.631 -24.369 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.944 -26.490 -24.541 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.484 -23.574 -25.361 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.513 -24.931 -26.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.706 -24.573 -26.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.818 -25.238 -25.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.709 -23.556 -25.221 1.00 0.00 H new ATOM 819 N ASP A 57 -6.421 -27.365 -19.420 1.00 0.00 N ATOM 820 CA ASP A 57 -6.196 -28.368 -18.386 1.00 0.00 C ATOM 821 C ASP A 57 -4.788 -28.947 -18.500 1.00 0.00 C ATOM 822 O ASP A 57 -4.344 -29.310 -19.589 1.00 0.00 O ATOM 823 CB ASP A 57 -7.226 -29.492 -18.517 1.00 0.00 C ATOM 824 CG ASP A 57 -7.062 -30.487 -17.373 1.00 0.00 C ATOM 825 OD1 ASP A 57 -7.911 -31.353 -17.242 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.092 -30.367 -16.645 1.00 0.00 O ATOM 0 H ASP A 57 -7.147 -27.605 -20.095 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.302 -27.891 -17.412 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.233 -29.076 -18.506 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.101 -30.001 -19.473 1.00 0.00 H new ATOM 831 N GLY A 58 -4.086 -29.021 -17.372 1.00 0.00 N ATOM 832 CA GLY A 58 -2.724 -29.546 -17.365 1.00 0.00 C ATOM 833 C GLY A 58 -1.712 -28.429 -17.128 1.00 0.00 C ATOM 834 O GLY A 58 -0.505 -28.632 -17.249 1.00 0.00 O ATOM 0 H GLY A 58 -4.434 -28.727 -16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.626 -30.303 -16.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.514 -30.037 -18.315 1.00 0.00 H new ATOM 838 N GLU A 59 -2.220 -27.253 -16.779 1.00 0.00 N ATOM 839 CA GLU A 59 -1.364 -26.103 -16.508 1.00 0.00 C ATOM 840 C GLU A 59 -1.752 -25.452 -15.183 1.00 0.00 C ATOM 841 O GLU A 59 -2.906 -25.520 -14.763 1.00 0.00 O ATOM 842 CB GLU A 59 -1.470 -25.086 -17.645 1.00 0.00 C ATOM 843 CG GLU A 59 -0.801 -25.655 -18.898 1.00 0.00 C ATOM 844 CD GLU A 59 -1.788 -26.512 -19.682 1.00 0.00 C ATOM 845 OE1 GLU A 59 -1.459 -26.896 -20.791 1.00 0.00 O ATOM 846 OE2 GLU A 59 -2.856 -26.778 -19.158 1.00 0.00 O ATOM 0 H GLU A 59 -3.218 -27.070 -16.677 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.332 -26.447 -16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.516 -24.859 -17.849 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.991 -24.150 -17.357 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.437 -24.841 -19.525 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.066 -26.253 -18.616 1.00 0.00 H new ATOM 853 N TRP A 60 -0.781 -24.816 -14.533 1.00 0.00 N ATOM 854 CA TRP A 60 -1.036 -24.154 -13.261 1.00 0.00 C ATOM 855 C TRP A 60 -0.475 -22.737 -13.271 1.00 0.00 C ATOM 856 O TRP A 60 0.602 -22.489 -13.813 1.00 0.00 O ATOM 857 CB TRP A 60 -0.398 -24.942 -12.116 1.00 0.00 C ATOM 858 CG TRP A 60 -1.098 -26.254 -11.956 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.684 -27.424 -12.489 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.320 -26.546 -11.221 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.576 -28.419 -12.129 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.602 -27.927 -11.347 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.204 -25.756 -10.466 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.720 -28.504 -10.745 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.331 -26.332 -9.857 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.587 -27.703 -9.995 1.00 0.00 C ATOM 0 H TRP A 60 0.181 -24.746 -14.864 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.115 -24.109 -13.114 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.660 -25.106 -12.320 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.460 -24.371 -11.190 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.198 -27.561 -13.096 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.486 -29.396 -12.407 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.015 -24.699 -10.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.915 -29.560 -10.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.004 -25.715 -9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.454 -28.141 -9.522 1.00 0.00 H new ATOM 877 N LEU A 61 -1.207 -21.818 -12.660 1.00 0.00 N ATOM 878 CA LEU A 61 -0.774 -20.429 -12.591 1.00 0.00 C ATOM 879 C LEU A 61 -0.141 -20.163 -11.229 1.00 0.00 C ATOM 880 O LEU A 61 -0.615 -20.666 -10.211 1.00 0.00 O ATOM 881 CB LEU A 61 -1.965 -19.498 -12.805 1.00 0.00 C ATOM 882 CG LEU A 61 -1.478 -18.052 -12.799 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.468 -17.863 -13.933 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.668 -17.112 -13.014 1.00 0.00 C ATOM 0 H LEU A 61 -2.101 -22.007 -12.206 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.039 -20.241 -13.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.454 -19.726 -13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.705 -19.648 -12.019 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.007 -17.825 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.114 -16.832 -13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.376 -18.536 -13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.946 -18.086 -14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.321 -16.079 -13.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.138 -17.333 -13.972 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.393 -17.254 -12.213 1.00 0.00 H new ATOM 896 N ASN A 62 0.931 -19.375 -11.206 1.00 0.00 N ATOM 897 CA ASN A 62 1.606 -19.068 -9.951 1.00 0.00 C ATOM 898 C ASN A 62 1.266 -17.654 -9.491 1.00 0.00 C ATOM 899 O ASN A 62 1.525 -16.682 -10.200 1.00 0.00 O ATOM 900 CB ASN A 62 3.121 -19.198 -10.129 1.00 0.00 C ATOM 901 CG ASN A 62 3.831 -18.860 -8.822 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.295 -17.734 -8.641 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.943 -19.772 -7.897 1.00 0.00 N ATOM 0 H ASN A 62 1.346 -18.943 -12.032 1.00 0.00 H new ATOM 0 HA ASN A 62 1.266 -19.775 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.373 -20.212 -10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.461 -18.530 -10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.416 -19.554 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.557 -20.704 -8.050 1.00 0.00 H new ATOM 910 N VAL A 63 0.688 -17.545 -8.299 1.00 0.00 N ATOM 911 CA VAL A 63 0.322 -16.242 -7.757 1.00 0.00 C ATOM 912 C VAL A 63 1.115 -15.961 -6.485 1.00 0.00 C ATOM 913 O VAL A 63 1.122 -16.770 -5.557 1.00 0.00 O ATOM 914 CB VAL A 63 -1.175 -16.209 -7.442 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.545 -14.843 -6.862 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.971 -16.451 -8.726 1.00 0.00 C ATOM 0 H VAL A 63 0.465 -18.336 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 63 0.552 -15.478 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.411 -16.987 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.611 -14.820 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.978 -14.670 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.310 -14.064 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.038 -16.428 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.735 -15.673 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.708 -17.425 -9.139 1.00 0.00 H new ATOM 926 N SER A 64 1.787 -14.814 -6.446 1.00 0.00 N ATOM 927 CA SER A 64 2.585 -14.440 -5.284 1.00 0.00 C ATOM 928 C SER A 64 2.725 -12.922 -5.214 1.00 0.00 C ATOM 929 O SER A 64 2.346 -12.215 -6.146 1.00 0.00 O ATOM 930 CB SER A 64 3.973 -15.079 -5.374 1.00 0.00 C ATOM 931 OG SER A 64 4.681 -14.509 -6.467 1.00 0.00 O ATOM 0 H SER A 64 1.795 -14.130 -7.203 1.00 0.00 H new ATOM 0 HA SER A 64 2.083 -14.796 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.522 -14.917 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.882 -16.157 -5.507 1.00 0.00 H new ATOM 0 HG SER A 64 5.571 -14.914 -6.527 1.00 0.00 H new ATOM 937 N HIS A 65 3.268 -12.424 -4.107 1.00 0.00 N ATOM 938 CA HIS A 65 3.445 -10.986 -3.941 1.00 0.00 C ATOM 939 C HIS A 65 4.699 -10.694 -3.126 1.00 0.00 C ATOM 940 O HIS A 65 5.216 -11.570 -2.433 1.00 0.00 O ATOM 941 CB HIS A 65 2.229 -10.385 -3.233 1.00 0.00 C ATOM 942 CG HIS A 65 2.190 -10.865 -1.807 1.00 0.00 C ATOM 943 ND1 HIS A 65 1.722 -12.123 -1.463 1.00 0.00 N ATOM 944 CD2 HIS A 65 2.557 -10.267 -0.627 1.00 0.00 C ATOM 945 CE1 HIS A 65 1.817 -12.240 -0.126 1.00 0.00 C ATOM 946 NE2 HIS A 65 2.321 -11.137 0.433 1.00 0.00 N ATOM 0 H HIS A 65 3.590 -12.988 -3.320 1.00 0.00 H new ATOM 0 HA HIS A 65 3.549 -10.537 -4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.280 -9.297 -3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.314 -10.674 -3.750 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.370 -12.832 -2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.967 -9.272 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.522 -13.119 0.428 1.00 0.00 H new ATOM 954 N GLU A 66 5.189 -9.461 -3.215 1.00 0.00 N ATOM 955 CA GLU A 66 6.386 -9.068 -2.483 1.00 0.00 C ATOM 956 C GLU A 66 6.014 -8.263 -1.243 1.00 0.00 C ATOM 957 O GLU A 66 5.255 -7.296 -1.323 1.00 0.00 O ATOM 958 CB GLU A 66 7.286 -8.227 -3.389 1.00 0.00 C ATOM 959 CG GLU A 66 8.513 -7.758 -2.605 1.00 0.00 C ATOM 960 CD GLU A 66 9.338 -8.959 -2.159 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.135 -8.802 -1.248 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.162 -10.020 -2.737 1.00 0.00 O ATOM 0 H GLU A 66 4.777 -8.721 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 66 6.917 -9.967 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.597 -8.813 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.734 -7.367 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.121 -7.099 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.200 -7.179 -1.736 1.00 0.00 H new ATOM 969 N ALA A 67 6.551 -8.667 -0.097 1.00 0.00 N ATOM 970 CA ALA A 67 6.267 -7.972 1.153 1.00 0.00 C ATOM 971 C ALA A 67 7.451 -8.080 2.108 1.00 0.00 C ATOM 972 O ALA A 67 8.562 -7.823 1.675 1.00 0.00 O ATOM 973 CB ALA A 67 5.022 -8.570 1.812 1.00 0.00 C ATOM 0 H ALA A 67 7.180 -9.465 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 67 6.090 -6.920 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.817 -8.045 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.169 -8.465 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.192 -9.626 2.020 1.00 0.00 H new TER 979 ALA A 67