USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 354 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 18 TYR OH : rot 31:sc= 1.3 USER MOD Set 1.2: A 43 TYR OH : rot 30:sc= -0.0992 USER MOD Set 1.3: A 47 HIS : no HE2:sc= 0.538 K(o=1.7,f=-4.3!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 35:sc= 0.936 USER MOD Single : A 11 MET CE :methyl -179:sc= -4.25 (180deg=-4.28) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 93:sc= 0.837 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0291 F(o=-0.73,f=-0.029) USER MOD Single : A 24 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.0052) USER MOD Single : A 29 GLN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.596 K(o=-0.6,f=-6.4!) USER MOD Single : A 44 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.648 2.615 -6.998 1.00 0.00 N ATOM 2 CA SER A 1 2.317 1.556 -7.944 1.00 0.00 C ATOM 3 C SER A 1 2.966 0.238 -7.531 1.00 0.00 C ATOM 4 O SER A 1 4.187 0.094 -7.574 1.00 0.00 O ATOM 5 CB SER A 1 2.771 1.941 -9.353 1.00 0.00 C ATOM 6 OG SER A 1 4.184 2.018 -9.431 1.00 0.00 O ATOM 0 H1 SER A 1 2.196 3.502 -7.298 1.00 0.00 H new ATOM 0 H2 SER A 1 2.305 2.355 -6.051 1.00 0.00 H new ATOM 0 H3 SER A 1 3.680 2.744 -6.969 1.00 0.00 H new ATOM 0 HA SER A 1 1.235 1.426 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.404 1.207 -10.070 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.336 2.901 -9.629 1.00 0.00 H new ATOM 0 HG SER A 1 4.581 1.341 -8.844 1.00 0.00 H new ATOM 12 N GLU A 2 2.137 -0.722 -7.130 1.00 0.00 N ATOM 13 CA GLU A 2 2.630 -2.028 -6.708 1.00 0.00 C ATOM 14 C GLU A 2 2.874 -2.933 -7.912 1.00 0.00 C ATOM 15 O GLU A 2 2.351 -2.709 -9.004 1.00 0.00 O ATOM 16 CB GLU A 2 1.634 -2.689 -5.753 1.00 0.00 C ATOM 17 CG GLU A 2 1.876 -2.351 -4.291 1.00 0.00 C ATOM 18 CD GLU A 2 1.289 -1.010 -3.897 1.00 0.00 C ATOM 19 OE1 GLU A 2 1.950 0.021 -4.142 1.00 0.00 O ATOM 20 OE2 GLU A 2 0.170 -0.991 -3.344 1.00 0.00 O ATOM 0 H GLU A 2 1.123 -0.620 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 2 3.577 -1.880 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.624 -2.383 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.684 -3.770 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.442 -3.131 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.948 -2.345 -4.096 1.00 0.00 H new ATOM 27 N PRO A 3 3.687 -3.980 -7.710 1.00 0.00 N ATOM 28 CA PRO A 3 4.018 -4.941 -8.766 1.00 0.00 C ATOM 29 C PRO A 3 2.829 -5.814 -9.150 1.00 0.00 C ATOM 30 O PRO A 3 1.886 -5.972 -8.374 1.00 0.00 O ATOM 31 CB PRO A 3 5.125 -5.792 -8.138 1.00 0.00 C ATOM 32 CG PRO A 3 4.895 -5.687 -6.669 1.00 0.00 C ATOM 33 CD PRO A 3 4.345 -4.308 -6.433 1.00 0.00 C ATOM 0 HA PRO A 3 4.315 -4.444 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.068 -6.827 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.113 -5.422 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.195 -6.450 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.823 -5.837 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.640 -4.293 -5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.135 -3.596 -6.193 1.00 0.00 H new ATOM 41 N ASP A 4 2.878 -6.378 -10.352 1.00 0.00 N ATOM 42 CA ASP A 4 1.804 -7.236 -10.839 1.00 0.00 C ATOM 43 C ASP A 4 2.194 -8.707 -10.735 1.00 0.00 C ATOM 44 O ASP A 4 1.334 -9.580 -10.625 1.00 0.00 O ATOM 45 CB ASP A 4 1.462 -6.887 -12.288 1.00 0.00 C ATOM 46 CG ASP A 4 0.835 -5.513 -12.420 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.807 -4.774 -11.414 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.373 -5.177 -13.530 1.00 0.00 O ATOM 0 H ASP A 4 3.650 -6.256 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 4 0.926 -7.067 -10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.368 -6.929 -12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.777 -7.635 -12.687 1.00 0.00 H new ATOM 53 N GLU A 5 3.496 -8.973 -10.772 1.00 0.00 N ATOM 54 CA GLU A 5 3.998 -10.339 -10.684 1.00 0.00 C ATOM 55 C GLU A 5 3.424 -11.053 -9.463 1.00 0.00 C ATOM 56 O GLU A 5 3.239 -12.270 -9.473 1.00 0.00 O ATOM 57 CB GLU A 5 5.527 -10.341 -10.617 1.00 0.00 C ATOM 58 CG GLU A 5 6.196 -10.191 -11.973 1.00 0.00 C ATOM 59 CD GLU A 5 6.145 -11.467 -12.792 1.00 0.00 C ATOM 60 OE1 GLU A 5 5.114 -11.705 -13.455 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.136 -12.226 -12.770 1.00 0.00 O ATOM 0 H GLU A 5 4.221 -8.261 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 5 3.680 -10.874 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.855 -9.529 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.861 -11.271 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.710 -9.388 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.236 -9.896 -11.831 1.00 0.00 H new ATOM 68 N ILE A 6 3.146 -10.287 -8.414 1.00 0.00 N ATOM 69 CA ILE A 6 2.592 -10.845 -7.187 1.00 0.00 C ATOM 70 C ILE A 6 1.275 -11.563 -7.455 1.00 0.00 C ATOM 71 O ILE A 6 0.979 -12.590 -6.844 1.00 0.00 O ATOM 72 CB ILE A 6 2.361 -9.752 -6.126 1.00 0.00 C ATOM 73 CG1 ILE A 6 3.664 -8.999 -5.846 1.00 0.00 C ATOM 74 CG2 ILE A 6 1.812 -10.365 -4.846 1.00 0.00 C ATOM 75 CD1 ILE A 6 4.789 -9.893 -5.375 1.00 0.00 C ATOM 0 H ILE A 6 3.295 -9.278 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 6 3.322 -11.560 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 6 1.628 -9.042 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.977 -8.482 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.478 -8.235 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.654 -9.581 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.865 -10.861 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.524 -11.093 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.681 -9.292 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.496 -10.391 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.003 -10.641 -6.138 1.00 0.00 H new ATOM 87 N CYS A 7 0.486 -11.018 -8.375 1.00 0.00 N ATOM 88 CA CYS A 7 -0.800 -11.606 -8.727 1.00 0.00 C ATOM 89 C CYS A 7 -0.611 -12.928 -9.466 1.00 0.00 C ATOM 90 O CYS A 7 -1.416 -13.849 -9.328 1.00 0.00 O ATOM 91 CB CYS A 7 -1.609 -10.637 -9.592 1.00 0.00 C ATOM 92 SG CYS A 7 -1.669 -8.935 -8.945 1.00 0.00 S ATOM 0 H CYS A 7 0.716 -10.169 -8.891 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.346 -11.801 -7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.182 -10.618 -10.595 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.627 -11.014 -9.686 1.00 0.00 H new ATOM 97 N ARG A 8 0.459 -13.013 -10.250 1.00 0.00 N ATOM 98 CA ARG A 8 0.755 -14.221 -11.011 1.00 0.00 C ATOM 99 C ARG A 8 1.145 -15.366 -10.082 1.00 0.00 C ATOM 100 O ARG A 8 0.947 -16.537 -10.407 1.00 0.00 O ATOM 101 CB ARG A 8 1.880 -13.955 -12.012 1.00 0.00 C ATOM 102 CG ARG A 8 2.272 -15.177 -12.827 1.00 0.00 C ATOM 103 CD ARG A 8 3.260 -14.821 -13.926 1.00 0.00 C ATOM 104 NE ARG A 8 3.228 -15.785 -15.023 1.00 0.00 N ATOM 105 CZ ARG A 8 3.936 -15.650 -16.140 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.726 -14.599 -16.305 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.854 -16.570 -17.093 1.00 0.00 N ATOM 0 H ARG A 8 1.135 -12.260 -10.375 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.145 -14.508 -11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.571 -13.160 -12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.755 -13.592 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.712 -15.928 -12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.380 -15.622 -13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.032 -13.827 -14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.266 -14.779 -13.509 1.00 0.00 H new ATOM 0 HE ARG A 8 2.630 -16.606 -14.927 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.792 -13.891 -15.574 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.268 -14.498 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.248 -17.381 -16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.397 -16.466 -17.950 1.00 0.00 H new ATOM 121 N ALA A 9 1.702 -15.021 -8.926 1.00 0.00 N ATOM 122 CA ALA A 9 2.118 -16.020 -7.950 1.00 0.00 C ATOM 123 C ALA A 9 0.912 -16.664 -7.275 1.00 0.00 C ATOM 124 O ALA A 9 0.989 -17.793 -6.791 1.00 0.00 O ATOM 125 CB ALA A 9 3.034 -15.392 -6.909 1.00 0.00 C ATOM 0 H ALA A 9 1.876 -14.057 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 9 2.666 -16.800 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.337 -16.150 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.918 -14.985 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.504 -14.591 -6.394 1.00 0.00 H new ATOM 131 N ARG A 10 -0.201 -15.939 -7.247 1.00 0.00 N ATOM 132 CA ARG A 10 -1.423 -16.439 -6.628 1.00 0.00 C ATOM 133 C ARG A 10 -2.314 -17.123 -7.661 1.00 0.00 C ATOM 134 O ARG A 10 -3.500 -17.348 -7.421 1.00 0.00 O ATOM 135 CB ARG A 10 -2.187 -15.295 -5.959 1.00 0.00 C ATOM 136 CG ARG A 10 -1.572 -14.838 -4.646 1.00 0.00 C ATOM 137 CD ARG A 10 -2.611 -14.207 -3.734 1.00 0.00 C ATOM 138 NE ARG A 10 -3.472 -15.208 -3.109 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.487 -14.907 -2.307 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.768 -13.640 -2.035 1.00 0.00 N ATOM 141 NH2 ARG A 10 -5.225 -15.874 -1.777 1.00 0.00 N ATOM 0 H ARG A 10 -0.282 -15.004 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.143 -17.172 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.230 -14.449 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.214 -15.612 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.113 -15.689 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.777 -14.119 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.109 -13.627 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.222 -13.511 -4.308 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.283 -16.192 -3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.204 -12.894 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.548 -13.412 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.013 -16.850 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.004 -15.642 -1.161 1.00 0.00 H new ATOM 155 N MET A 11 -1.734 -17.451 -8.811 1.00 0.00 N ATOM 156 CA MET A 11 -2.475 -18.112 -9.879 1.00 0.00 C ATOM 157 C MET A 11 -1.542 -18.938 -10.758 1.00 0.00 C ATOM 158 O MET A 11 -0.321 -18.898 -10.596 1.00 0.00 O ATOM 159 CB MET A 11 -3.215 -17.078 -10.731 1.00 0.00 C ATOM 160 CG MET A 11 -2.299 -16.269 -11.635 1.00 0.00 C ATOM 161 SD MET A 11 -2.947 -14.623 -11.985 1.00 0.00 S ATOM 162 CE MET A 11 -4.563 -15.028 -12.642 1.00 0.00 C ATOM 0 H MET A 11 -0.754 -17.270 -9.027 1.00 0.00 H new ATOM 0 HA MET A 11 -3.202 -18.783 -9.421 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.958 -17.589 -11.343 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.757 -16.398 -10.074 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.320 -16.178 -11.165 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.154 -16.805 -12.573 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.082 -14.111 -12.923 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.450 -15.664 -13.520 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.142 -15.555 -11.884 1.00 0.00 H new ATOM 172 N THR A 12 -2.122 -19.688 -11.690 1.00 0.00 N ATOM 173 CA THR A 12 -1.342 -20.524 -12.594 1.00 0.00 C ATOM 174 C THR A 12 -0.914 -19.745 -13.832 1.00 0.00 C ATOM 175 O THR A 12 -1.416 -18.651 -14.093 1.00 0.00 O ATOM 176 CB THR A 12 -2.137 -21.768 -13.033 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.478 -21.399 -13.371 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.156 -22.816 -11.930 1.00 0.00 C ATOM 0 H THR A 12 -3.130 -19.733 -11.838 1.00 0.00 H new ATOM 0 HA THR A 12 -0.456 -20.843 -12.045 1.00 0.00 H new ATOM 0 HB THR A 12 -1.647 -22.194 -13.908 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.976 -22.195 -13.651 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.723 -23.685 -12.263 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.135 -23.117 -11.697 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.624 -22.398 -11.039 1.00 0.00 H new ATOM 186 N HIS A 13 0.016 -20.315 -14.592 1.00 0.00 N ATOM 187 CA HIS A 13 0.511 -19.673 -15.804 1.00 0.00 C ATOM 188 C HIS A 13 -0.619 -19.457 -16.805 1.00 0.00 C ATOM 189 O HIS A 13 -0.733 -18.389 -17.409 1.00 0.00 O ATOM 190 CB HIS A 13 1.616 -20.517 -16.439 1.00 0.00 C ATOM 191 CG HIS A 13 2.810 -20.705 -15.554 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.441 -21.920 -15.389 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.490 -19.822 -14.785 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.456 -21.776 -14.555 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.507 -20.512 -14.175 1.00 0.00 N ATOM 0 H HIS A 13 0.442 -21.220 -14.390 1.00 0.00 H new ATOM 0 HA HIS A 13 0.920 -18.701 -15.529 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.210 -21.494 -16.700 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.934 -20.045 -17.369 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.272 -18.770 -14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.129 -22.559 -14.238 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.191 -20.113 -13.532 1.00 0.00 H new ATOM 203 N LYS A 14 -1.453 -20.477 -16.978 1.00 0.00 N ATOM 204 CA LYS A 14 -2.575 -20.400 -17.906 1.00 0.00 C ATOM 205 C LYS A 14 -3.585 -19.350 -17.453 1.00 0.00 C ATOM 206 O LYS A 14 -4.175 -18.650 -18.273 1.00 0.00 O ATOM 207 CB LYS A 14 -3.259 -21.763 -18.025 1.00 0.00 C ATOM 208 CG LYS A 14 -4.447 -21.767 -18.972 1.00 0.00 C ATOM 209 CD LYS A 14 -4.863 -23.182 -19.339 1.00 0.00 C ATOM 210 CE LYS A 14 -5.967 -23.184 -20.386 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.704 -24.478 -20.411 1.00 0.00 N ATOM 0 H LYS A 14 -1.373 -21.367 -16.487 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.187 -20.108 -18.882 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.530 -22.497 -18.367 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.592 -22.081 -17.037 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.286 -21.249 -18.507 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.194 -21.215 -19.877 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.000 -23.730 -19.718 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.206 -23.705 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.665 -22.372 -20.180 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.536 -22.992 -21.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.448 -24.440 -21.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.043 -25.250 -20.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.137 -24.649 -19.481 1.00 0.00 H new ATOM 225 N GLU A 15 -3.776 -19.247 -16.141 1.00 0.00 N ATOM 226 CA GLU A 15 -4.713 -18.282 -15.580 1.00 0.00 C ATOM 227 C GLU A 15 -4.301 -16.855 -15.932 1.00 0.00 C ATOM 228 O GLU A 15 -5.099 -16.077 -16.454 1.00 0.00 O ATOM 229 CB GLU A 15 -4.795 -18.441 -14.060 1.00 0.00 C ATOM 230 CG GLU A 15 -6.015 -17.778 -13.444 1.00 0.00 C ATOM 231 CD GLU A 15 -7.260 -18.637 -13.545 1.00 0.00 C ATOM 232 OE1 GLU A 15 -7.188 -19.716 -14.171 1.00 0.00 O ATOM 233 OE2 GLU A 15 -8.307 -18.231 -12.998 1.00 0.00 O ATOM 0 H GLU A 15 -3.294 -19.820 -15.448 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.695 -18.475 -16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.806 -19.503 -13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.896 -18.019 -13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.814 -17.559 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.195 -16.824 -13.940 1.00 0.00 H new ATOM 240 N PHE A 16 -3.049 -16.519 -15.641 1.00 0.00 N ATOM 241 CA PHE A 16 -2.529 -15.186 -15.925 1.00 0.00 C ATOM 242 C PHE A 16 -2.688 -14.844 -17.403 1.00 0.00 C ATOM 243 O PHE A 16 -2.868 -13.683 -17.767 1.00 0.00 O ATOM 244 CB PHE A 16 -1.056 -15.093 -15.523 1.00 0.00 C ATOM 245 CG PHE A 16 -0.454 -13.738 -15.761 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.984 -12.613 -15.150 1.00 0.00 C ATOM 247 CD2 PHE A 16 0.642 -13.589 -16.595 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.432 -11.365 -15.368 1.00 0.00 C ATOM 249 CE2 PHE A 16 1.199 -12.343 -16.817 1.00 0.00 C ATOM 250 CZ PHE A 16 0.661 -11.230 -16.201 1.00 0.00 C ATOM 0 H PHE A 16 -2.375 -17.151 -15.209 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.103 -14.467 -15.340 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.959 -15.344 -14.467 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.488 -15.837 -16.081 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.838 -12.713 -14.496 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.067 -14.457 -17.078 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.855 -10.496 -14.887 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.053 -12.240 -17.471 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.095 -10.255 -16.371 1.00 0.00 H new ATOM 260 N ASN A 17 -2.618 -15.866 -18.251 1.00 0.00 N ATOM 261 CA ASN A 17 -2.752 -15.674 -19.691 1.00 0.00 C ATOM 262 C ASN A 17 -4.196 -15.355 -20.065 1.00 0.00 C ATOM 263 O ASN A 17 -4.455 -14.490 -20.901 1.00 0.00 O ATOM 264 CB ASN A 17 -2.284 -16.925 -20.438 1.00 0.00 C ATOM 265 CG ASN A 17 -2.084 -16.672 -21.920 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.990 -16.884 -22.726 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.892 -16.215 -22.286 1.00 0.00 N ATOM 0 H ASN A 17 -2.469 -16.834 -17.966 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.126 -14.830 -19.980 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.349 -17.276 -20.003 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.017 -17.721 -20.304 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.698 -16.025 -23.269 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.170 -16.054 -21.584 1.00 0.00 H new ATOM 274 N TYR A 18 -5.133 -16.059 -19.439 1.00 0.00 N ATOM 275 CA TYR A 18 -6.551 -15.852 -19.707 1.00 0.00 C ATOM 276 C TYR A 18 -7.008 -14.488 -19.200 1.00 0.00 C ATOM 277 O TYR A 18 -7.589 -13.698 -19.945 1.00 0.00 O ATOM 278 CB TYR A 18 -7.382 -16.957 -19.051 1.00 0.00 C ATOM 279 CG TYR A 18 -8.872 -16.708 -19.107 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.511 -15.972 -18.116 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.641 -17.207 -20.151 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.873 -15.743 -18.163 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.003 -16.982 -20.207 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.614 -16.250 -19.210 1.00 0.00 C ATOM 285 OH TYR A 18 -12.970 -16.022 -19.261 1.00 0.00 O ATOM 0 H TYR A 18 -4.936 -16.778 -18.743 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.699 -15.887 -20.786 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.162 -17.905 -19.541 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.078 -17.059 -18.009 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.933 -15.572 -17.296 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.166 -17.781 -20.933 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.355 -15.170 -17.384 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.586 -17.377 -21.026 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.172 -15.158 -18.846 1.00 0.00 H new ATOM 295 N LYS A 19 -6.741 -14.217 -17.927 1.00 0.00 N ATOM 296 CA LYS A 19 -7.122 -12.948 -17.318 1.00 0.00 C ATOM 297 C LYS A 19 -6.569 -11.773 -18.118 1.00 0.00 C ATOM 298 O LYS A 19 -7.303 -10.848 -18.467 1.00 0.00 O ATOM 299 CB LYS A 19 -6.618 -12.880 -15.875 1.00 0.00 C ATOM 300 CG LYS A 19 -7.167 -13.981 -14.985 1.00 0.00 C ATOM 301 CD LYS A 19 -8.683 -13.926 -14.901 1.00 0.00 C ATOM 302 CE LYS A 19 -9.162 -13.928 -13.457 1.00 0.00 C ATOM 303 NZ LYS A 19 -10.434 -14.685 -13.296 1.00 0.00 N ATOM 0 H LYS A 19 -6.262 -14.860 -17.296 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.210 -12.885 -17.319 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.529 -12.935 -15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.888 -11.913 -15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.858 -14.952 -15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.743 -13.888 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.044 -13.029 -15.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.109 -14.780 -15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.394 -14.368 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.305 -12.901 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.727 -14.663 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.174 -14.250 -13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.291 -15.671 -13.593 1.00 0.00 H new ATOM 317 N SER A 20 -5.272 -11.816 -18.405 1.00 0.00 N ATOM 318 CA SER A 20 -4.621 -10.754 -19.162 1.00 0.00 C ATOM 319 C SER A 20 -5.270 -10.587 -20.533 1.00 0.00 C ATOM 320 O SER A 20 -5.459 -9.469 -21.010 1.00 0.00 O ATOM 321 CB SER A 20 -3.130 -11.055 -19.325 1.00 0.00 C ATOM 322 OG SER A 20 -2.453 -10.962 -18.083 1.00 0.00 O ATOM 0 H SER A 20 -4.651 -12.575 -18.125 1.00 0.00 H new ATOM 0 HA SER A 20 -4.738 -9.823 -18.608 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.001 -12.055 -19.739 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.690 -10.356 -20.036 1.00 0.00 H new ATOM 0 HG SER A 20 -2.421 -11.846 -17.661 1.00 0.00 H new ATOM 328 N ASN A 21 -5.609 -11.709 -21.160 1.00 0.00 N ATOM 329 CA ASN A 21 -6.236 -11.688 -22.477 1.00 0.00 C ATOM 330 C ASN A 21 -7.505 -10.841 -22.461 1.00 0.00 C ATOM 331 O ASN A 21 -7.702 -9.983 -23.323 1.00 0.00 O ATOM 332 CB ASN A 21 -6.566 -13.112 -22.930 1.00 0.00 C ATOM 333 CG ASN A 21 -6.815 -13.200 -24.423 1.00 0.00 C ATOM 334 OD1 ASN A 21 -7.938 -12.648 -24.869 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 -6.008 -13.758 -25.167 1.00 0.00 N flip ATOM 0 H ASN A 21 -5.460 -12.643 -20.778 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.532 -11.244 -23.181 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.744 -13.775 -22.662 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.448 -13.465 -22.396 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.158 -14.169 -24.781 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.190 -13.810 -26.169 1.00 0.00 H new ATOM 342 N VAL A 22 -8.363 -11.087 -21.476 1.00 0.00 N ATOM 343 CA VAL A 22 -9.612 -10.346 -21.347 1.00 0.00 C ATOM 344 C VAL A 22 -9.355 -8.902 -20.933 1.00 0.00 C ATOM 345 O VAL A 22 -10.067 -7.988 -21.352 1.00 0.00 O ATOM 346 CB VAL A 22 -10.551 -11.004 -20.319 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.890 -10.284 -20.281 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.738 -12.480 -20.636 1.00 0.00 C ATOM 0 H VAL A 22 -8.216 -11.794 -20.756 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.090 -10.360 -22.326 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.095 -10.923 -19.332 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.540 -10.763 -19.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.735 -9.242 -20.002 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.356 -10.330 -21.265 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.404 -12.929 -19.899 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.172 -12.586 -21.630 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.772 -12.984 -20.606 1.00 0.00 H new ATOM 358 N CYS A 23 -8.332 -8.702 -20.109 1.00 0.00 N ATOM 359 CA CYS A 23 -7.979 -7.368 -19.638 1.00 0.00 C ATOM 360 C CYS A 23 -7.779 -6.412 -20.811 1.00 0.00 C ATOM 361 O CYS A 23 -8.293 -5.295 -20.809 1.00 0.00 O ATOM 362 CB CYS A 23 -6.707 -7.425 -18.790 1.00 0.00 C ATOM 363 SG CYS A 23 -6.985 -7.944 -17.066 1.00 0.00 S ATOM 0 H CYS A 23 -7.733 -9.447 -19.754 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.800 -6.996 -19.025 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.003 -8.114 -19.256 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.238 -6.441 -18.791 1.00 0.00 H new ATOM 368 N ASN A 24 -7.028 -6.861 -21.812 1.00 0.00 N ATOM 369 CA ASN A 24 -6.761 -6.047 -22.991 1.00 0.00 C ATOM 370 C ASN A 24 -8.050 -5.751 -23.752 1.00 0.00 C ATOM 371 O ASN A 24 -8.094 -4.855 -24.594 1.00 0.00 O ATOM 372 CB ASN A 24 -5.764 -6.756 -23.911 1.00 0.00 C ATOM 373 CG ASN A 24 -4.410 -6.948 -23.256 1.00 0.00 C ATOM 374 OD1 ASN A 24 -3.711 -5.981 -22.953 1.00 0.00 O ATOM 375 ND2 ASN A 24 -4.032 -8.202 -23.036 1.00 0.00 N ATOM 0 H ASN A 24 -6.594 -7.784 -21.829 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.331 -5.102 -22.659 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.166 -7.727 -24.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.643 -6.177 -24.827 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.130 -8.394 -22.600 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.643 -8.973 -23.303 1.00 0.00 H new ATOM 382 N GLY A 25 -9.098 -6.510 -23.448 1.00 0.00 N ATOM 383 CA GLY A 25 -10.374 -6.312 -24.109 1.00 0.00 C ATOM 384 C GLY A 25 -11.244 -5.295 -23.398 1.00 0.00 C ATOM 385 O GLY A 25 -12.006 -4.565 -24.034 1.00 0.00 O ATOM 0 H GLY A 25 -9.086 -7.259 -22.755 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.202 -5.984 -25.134 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.903 -7.263 -24.163 1.00 0.00 H new ATOM 389 N CYS A 26 -11.134 -5.247 -22.075 1.00 0.00 N ATOM 390 CA CYS A 26 -11.917 -4.313 -21.275 1.00 0.00 C ATOM 391 C CYS A 26 -11.817 -2.898 -21.838 1.00 0.00 C ATOM 392 O CYS A 26 -12.743 -2.099 -21.706 1.00 0.00 O ATOM 393 CB CYS A 26 -11.441 -4.330 -19.821 1.00 0.00 C ATOM 394 SG CYS A 26 -12.273 -3.113 -18.752 1.00 0.00 S ATOM 0 H CYS A 26 -10.509 -5.845 -21.534 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.960 -4.627 -21.312 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.599 -5.327 -19.410 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.367 -4.143 -19.799 1.00 0.00 H new ATOM 399 N GLY A 27 -10.684 -2.596 -22.466 1.00 0.00 N ATOM 400 CA GLY A 27 -10.483 -1.278 -23.039 1.00 0.00 C ATOM 401 C GLY A 27 -9.141 -0.681 -22.665 1.00 0.00 C ATOM 402 O GLY A 27 -8.122 -1.372 -22.679 1.00 0.00 O ATOM 0 H GLY A 27 -9.903 -3.240 -22.588 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.559 -1.342 -24.124 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.279 -0.614 -22.702 1.00 0.00 H new ATOM 406 N ASP A 28 -9.139 0.604 -22.331 1.00 0.00 N ATOM 407 CA ASP A 28 -7.912 1.294 -21.950 1.00 0.00 C ATOM 408 C ASP A 28 -7.738 1.296 -20.434 1.00 0.00 C ATOM 409 O ASP A 28 -7.068 2.166 -19.879 1.00 0.00 O ATOM 410 CB ASP A 28 -7.924 2.729 -22.477 1.00 0.00 C ATOM 411 CG ASP A 28 -7.843 2.792 -23.989 1.00 0.00 C ATOM 412 OD1 ASP A 28 -7.347 1.820 -24.598 1.00 0.00 O ATOM 413 OD2 ASP A 28 -8.277 3.811 -24.565 1.00 0.00 O ATOM 0 H ASP A 28 -9.974 1.190 -22.316 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.071 0.760 -22.393 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.834 3.227 -22.144 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.085 3.277 -22.048 1.00 0.00 H new ATOM 418 N GLN A 29 -8.347 0.318 -19.772 1.00 0.00 N ATOM 419 CA GLN A 29 -8.260 0.209 -18.321 1.00 0.00 C ATOM 420 C GLN A 29 -7.425 -1.001 -17.914 1.00 0.00 C ATOM 421 O GLN A 29 -7.604 -1.555 -16.830 1.00 0.00 O ATOM 422 CB GLN A 29 -9.660 0.106 -17.711 1.00 0.00 C ATOM 423 CG GLN A 29 -10.273 1.453 -17.365 1.00 0.00 C ATOM 424 CD GLN A 29 -10.751 2.208 -18.590 1.00 0.00 C ATOM 425 OE1 GLN A 29 -10.335 3.340 -18.836 1.00 0.00 O ATOM 426 NE2 GLN A 29 -11.630 1.584 -19.365 1.00 0.00 N ATOM 0 H GLN A 29 -8.906 -0.410 -20.217 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.772 1.107 -17.944 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.315 -0.413 -18.411 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.610 -0.504 -16.809 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.112 1.302 -16.685 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.537 2.057 -16.834 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.948 0.645 -19.123 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.988 2.043 -20.203 1.00 0.00 H new ATOM 435 N VAL A 30 -6.513 -1.407 -18.792 1.00 0.00 N ATOM 436 CA VAL A 30 -5.650 -2.550 -18.524 1.00 0.00 C ATOM 437 C VAL A 30 -4.991 -2.432 -17.154 1.00 0.00 C ATOM 438 O VAL A 30 -5.054 -3.356 -16.343 1.00 0.00 O ATOM 439 CB VAL A 30 -4.554 -2.690 -19.598 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.616 -3.838 -19.258 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.177 -2.888 -20.972 1.00 0.00 C ATOM 0 H VAL A 30 -6.353 -0.961 -19.695 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.284 -3.437 -18.544 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.970 -1.770 -19.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.849 -3.921 -20.028 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.144 -3.649 -18.294 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.182 -4.768 -19.208 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.389 -2.985 -21.718 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.786 -3.792 -20.968 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.803 -2.029 -21.215 1.00 0.00 H new ATOM 451 N ALA A 31 -4.360 -1.290 -16.903 1.00 0.00 N ATOM 452 CA ALA A 31 -3.691 -1.050 -15.631 1.00 0.00 C ATOM 453 C ALA A 31 -4.625 -1.331 -14.458 1.00 0.00 C ATOM 454 O ALA A 31 -4.232 -1.956 -13.474 1.00 0.00 O ATOM 455 CB ALA A 31 -3.175 0.379 -15.567 1.00 0.00 C ATOM 0 H ALA A 31 -4.298 -0.516 -17.564 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.845 -1.733 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.678 0.544 -14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.467 0.547 -16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.010 1.072 -15.666 1.00 0.00 H new ATOM 461 N ALA A 32 -5.864 -0.863 -14.570 1.00 0.00 N ATOM 462 CA ALA A 32 -6.855 -1.064 -13.519 1.00 0.00 C ATOM 463 C ALA A 32 -7.261 -2.530 -13.421 1.00 0.00 C ATOM 464 O ALA A 32 -7.486 -3.051 -12.328 1.00 0.00 O ATOM 465 CB ALA A 32 -8.075 -0.191 -13.771 1.00 0.00 C ATOM 0 H ALA A 32 -6.206 -0.342 -15.378 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.406 -0.775 -12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.807 -0.351 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.776 0.857 -13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.518 -0.453 -14.732 1.00 0.00 H new ATOM 471 N CYS A 33 -7.355 -3.191 -14.570 1.00 0.00 N ATOM 472 CA CYS A 33 -7.736 -4.598 -14.614 1.00 0.00 C ATOM 473 C CYS A 33 -6.796 -5.443 -13.760 1.00 0.00 C ATOM 474 O CYS A 33 -7.231 -6.360 -13.063 1.00 0.00 O ATOM 475 CB CYS A 33 -7.726 -5.105 -16.058 1.00 0.00 C ATOM 476 SG CYS A 33 -8.370 -6.798 -16.255 1.00 0.00 S ATOM 0 H CYS A 33 -7.173 -2.775 -15.483 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.745 -4.689 -14.211 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.318 -4.428 -16.674 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.705 -5.070 -16.437 1.00 0.00 H new ATOM 481 N GLU A 34 -5.506 -5.128 -13.819 1.00 0.00 N ATOM 482 CA GLU A 34 -4.505 -5.859 -13.051 1.00 0.00 C ATOM 483 C GLU A 34 -4.199 -5.144 -11.737 1.00 0.00 C ATOM 484 O GLU A 34 -3.517 -5.686 -10.868 1.00 0.00 O ATOM 485 CB GLU A 34 -3.221 -6.021 -13.867 1.00 0.00 C ATOM 486 CG GLU A 34 -3.465 -6.433 -15.309 1.00 0.00 C ATOM 487 CD GLU A 34 -2.509 -7.512 -15.777 1.00 0.00 C ATOM 488 OE1 GLU A 34 -1.418 -7.637 -15.181 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.849 -8.232 -16.739 1.00 0.00 O ATOM 0 H GLU A 34 -5.130 -4.372 -14.391 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.908 -6.846 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.671 -5.080 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.587 -6.767 -13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.489 -6.791 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.366 -5.560 -15.954 1.00 0.00 H new ATOM 496 N ALA A 35 -4.707 -3.924 -11.602 1.00 0.00 N ATOM 497 CA ALA A 35 -4.490 -3.136 -10.395 1.00 0.00 C ATOM 498 C ALA A 35 -4.834 -3.939 -9.145 1.00 0.00 C ATOM 499 O ALA A 35 -4.090 -3.927 -8.166 1.00 0.00 O ATOM 500 CB ALA A 35 -5.313 -1.856 -10.445 1.00 0.00 C ATOM 0 H ALA A 35 -5.272 -3.460 -12.313 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.433 -2.874 -10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.141 -1.277 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.017 -1.267 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.371 -2.106 -10.521 1.00 0.00 H new ATOM 506 N GLU A 36 -5.966 -4.635 -9.188 1.00 0.00 N ATOM 507 CA GLU A 36 -6.408 -5.443 -8.057 1.00 0.00 C ATOM 508 C GLU A 36 -6.286 -6.931 -8.371 1.00 0.00 C ATOM 509 O GLU A 36 -7.050 -7.750 -7.858 1.00 0.00 O ATOM 510 CB GLU A 36 -7.855 -5.103 -7.694 1.00 0.00 C ATOM 511 CG GLU A 36 -8.152 -3.613 -7.703 1.00 0.00 C ATOM 512 CD GLU A 36 -7.311 -2.845 -6.702 1.00 0.00 C ATOM 513 OE1 GLU A 36 -7.496 -3.058 -5.486 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.470 -2.030 -7.135 1.00 0.00 O ATOM 0 H GLU A 36 -6.593 -4.656 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.765 -5.215 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.523 -5.602 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.076 -5.503 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.973 -3.217 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.208 -3.455 -7.482 1.00 0.00 H new ATOM 521 N CYS A 37 -5.321 -7.274 -9.217 1.00 0.00 N ATOM 522 CA CYS A 37 -5.098 -8.662 -9.602 1.00 0.00 C ATOM 523 C CYS A 37 -6.356 -9.264 -10.222 1.00 0.00 C ATOM 524 O CYS A 37 -6.800 -10.343 -9.829 1.00 0.00 O ATOM 525 CB CYS A 37 -4.671 -9.488 -8.386 1.00 0.00 C ATOM 526 SG CYS A 37 -3.151 -8.890 -7.579 1.00 0.00 S ATOM 0 H CYS A 37 -4.680 -6.609 -9.650 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.302 -8.683 -10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.481 -9.487 -7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.522 -10.522 -8.696 1.00 0.00 H new ATOM 531 N PHE A 38 -6.925 -8.558 -11.194 1.00 0.00 N ATOM 532 CA PHE A 38 -8.133 -9.020 -11.867 1.00 0.00 C ATOM 533 C PHE A 38 -9.305 -9.094 -10.892 1.00 0.00 C ATOM 534 O PHE A 38 -10.298 -9.775 -11.150 1.00 0.00 O ATOM 535 CB PHE A 38 -7.896 -10.392 -12.502 1.00 0.00 C ATOM 536 CG PHE A 38 -6.599 -10.489 -13.253 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.216 -9.489 -14.132 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.762 -11.579 -13.079 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.023 -9.575 -14.825 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.567 -11.671 -13.769 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.197 -10.667 -14.642 1.00 0.00 C ATOM 0 H PHE A 38 -6.569 -7.664 -11.533 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.379 -8.303 -12.650 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.912 -11.152 -11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.718 -10.616 -13.182 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.857 -8.632 -14.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.046 -12.366 -12.396 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.737 -8.789 -15.509 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.924 -12.527 -13.625 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.263 -10.735 -15.181 1.00 0.00 H new ATOM 551 N ARG A 39 -9.181 -8.390 -9.773 1.00 0.00 N ATOM 552 CA ARG A 39 -10.228 -8.376 -8.758 1.00 0.00 C ATOM 553 C ARG A 39 -10.758 -6.962 -8.543 1.00 0.00 C ATOM 554 O ARG A 39 -10.489 -6.337 -7.518 1.00 0.00 O ATOM 555 CB ARG A 39 -9.697 -8.940 -7.439 1.00 0.00 C ATOM 556 CG ARG A 39 -8.851 -10.191 -7.608 1.00 0.00 C ATOM 557 CD ARG A 39 -8.868 -11.049 -6.353 1.00 0.00 C ATOM 558 NE ARG A 39 -10.205 -11.554 -6.053 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.478 -12.349 -5.024 1.00 0.00 C ATOM 560 NH1 ARG A 39 -9.510 -12.726 -4.200 1.00 0.00 N ATOM 561 NH2 ARG A 39 -11.720 -12.766 -4.818 1.00 0.00 N ATOM 0 H ARG A 39 -8.366 -7.821 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.048 -9.003 -9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.103 -8.175 -6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.539 -9.167 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.223 -10.772 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.825 -9.909 -7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.183 -11.888 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.504 -10.464 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.972 -11.281 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.554 -12.406 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.721 -13.336 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.467 -12.476 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.929 -13.376 -4.028 1.00 0.00 H new ATOM 575 N ASN A 40 -11.512 -6.463 -9.517 1.00 0.00 N ATOM 576 CA ASN A 40 -12.079 -5.122 -9.434 1.00 0.00 C ATOM 577 C ASN A 40 -13.338 -5.009 -10.289 1.00 0.00 C ATOM 578 O ASN A 40 -13.616 -5.875 -11.118 1.00 0.00 O ATOM 579 CB ASN A 40 -11.050 -4.082 -9.883 1.00 0.00 C ATOM 580 CG ASN A 40 -10.371 -4.465 -11.184 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.974 -4.399 -12.255 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.108 -4.869 -11.096 1.00 0.00 N ATOM 0 H ASN A 40 -11.744 -6.967 -10.373 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.349 -4.933 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.542 -3.117 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.296 -3.961 -9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.599 -5.140 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.647 -4.908 -10.187 1.00 0.00 H new ATOM 589 N ASP A 41 -14.093 -3.937 -10.081 1.00 0.00 N ATOM 590 CA ASP A 41 -15.322 -3.710 -10.832 1.00 0.00 C ATOM 591 C ASP A 41 -15.022 -3.494 -12.312 1.00 0.00 C ATOM 592 O ASP A 41 -15.795 -3.903 -13.179 1.00 0.00 O ATOM 593 CB ASP A 41 -16.074 -2.502 -10.270 1.00 0.00 C ATOM 594 CG ASP A 41 -17.579 -2.672 -10.342 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.087 -3.688 -9.825 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.248 -1.787 -10.915 1.00 0.00 O ATOM 0 H ASP A 41 -13.876 -3.211 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.948 -4.596 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.778 -2.344 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.785 -1.608 -10.823 1.00 0.00 H new ATOM 601 N VAL A 42 -13.896 -2.847 -12.594 1.00 0.00 N ATOM 602 CA VAL A 42 -13.493 -2.576 -13.969 1.00 0.00 C ATOM 603 C VAL A 42 -13.453 -3.858 -14.793 1.00 0.00 C ATOM 604 O VAL A 42 -14.021 -3.926 -15.883 1.00 0.00 O ATOM 605 CB VAL A 42 -12.111 -1.898 -14.026 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.595 -1.858 -15.457 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.181 -0.498 -13.436 1.00 0.00 C ATOM 0 H VAL A 42 -13.246 -2.500 -11.888 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.238 -1.901 -14.390 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.412 -2.484 -13.430 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.618 -1.376 -15.478 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.506 -2.875 -15.840 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.291 -1.295 -16.079 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.196 -0.033 -13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.893 0.101 -14.004 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.504 -0.557 -12.397 1.00 0.00 H new ATOM 617 N TYR A 43 -12.778 -4.873 -14.265 1.00 0.00 N ATOM 618 CA TYR A 43 -12.662 -6.154 -14.952 1.00 0.00 C ATOM 619 C TYR A 43 -13.955 -6.954 -14.835 1.00 0.00 C ATOM 620 O TYR A 43 -14.414 -7.562 -15.803 1.00 0.00 O ATOM 621 CB TYR A 43 -11.495 -6.960 -14.378 1.00 0.00 C ATOM 622 CG TYR A 43 -11.387 -8.357 -14.946 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.254 -8.564 -16.313 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.418 -9.470 -14.115 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.156 -9.839 -16.837 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.319 -10.749 -14.630 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.189 -10.928 -15.991 1.00 0.00 C ATOM 628 OH TYR A 43 -11.090 -12.199 -16.508 1.00 0.00 O ATOM 0 H TYR A 43 -12.303 -4.834 -13.363 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.474 -5.956 -16.007 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.565 -6.425 -14.571 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.606 -7.024 -13.296 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.227 -7.714 -16.978 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.521 -9.334 -13.049 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.054 -9.982 -17.903 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.343 -11.603 -13.970 1.00 0.00 H new ATOM 0 HH TYR A 43 -10.553 -12.178 -17.327 1.00 0.00 H new ATOM 638 N THR A 44 -14.539 -6.951 -13.640 1.00 0.00 N ATOM 639 CA THR A 44 -15.779 -7.677 -13.394 1.00 0.00 C ATOM 640 C THR A 44 -16.883 -7.215 -14.338 1.00 0.00 C ATOM 641 O THR A 44 -17.735 -8.005 -14.744 1.00 0.00 O ATOM 642 CB THR A 44 -16.254 -7.499 -11.940 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.253 -7.977 -11.035 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.558 -8.245 -11.701 1.00 0.00 C ATOM 0 H THR A 44 -14.173 -6.454 -12.828 1.00 0.00 H new ATOM 0 HA THR A 44 -15.569 -8.731 -13.574 1.00 0.00 H new ATOM 0 HB THR A 44 -16.424 -6.437 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.444 -7.431 -11.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.873 -8.104 -10.667 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.326 -7.858 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.410 -9.308 -11.894 1.00 0.00 H new ATOM 652 N ALA A 45 -16.862 -5.933 -14.684 1.00 0.00 N ATOM 653 CA ALA A 45 -17.860 -5.367 -15.582 1.00 0.00 C ATOM 654 C ALA A 45 -17.560 -5.726 -17.033 1.00 0.00 C ATOM 655 O ALA A 45 -18.426 -6.226 -17.752 1.00 0.00 O ATOM 656 CB ALA A 45 -17.927 -3.856 -15.413 1.00 0.00 C ATOM 0 H ALA A 45 -16.164 -5.266 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.829 -5.794 -15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.677 -3.447 -16.090 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.198 -3.617 -14.385 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.955 -3.421 -15.643 1.00 0.00 H new ATOM 662 N CYS A 46 -16.328 -5.467 -17.459 1.00 0.00 N ATOM 663 CA CYS A 46 -15.913 -5.762 -18.825 1.00 0.00 C ATOM 664 C CYS A 46 -16.036 -7.253 -19.122 1.00 0.00 C ATOM 665 O CYS A 46 -16.682 -7.654 -20.090 1.00 0.00 O ATOM 666 CB CYS A 46 -14.471 -5.302 -19.053 1.00 0.00 C ATOM 667 SG CYS A 46 -14.239 -3.499 -18.938 1.00 0.00 S ATOM 0 H CYS A 46 -15.599 -5.053 -16.877 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.572 -5.220 -19.503 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.826 -5.788 -18.321 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.145 -5.637 -20.038 1.00 0.00 H new ATOM 672 N HIS A 47 -15.411 -8.072 -18.281 1.00 0.00 N ATOM 673 CA HIS A 47 -15.451 -9.520 -18.452 1.00 0.00 C ATOM 674 C HIS A 47 -16.888 -10.010 -18.600 1.00 0.00 C ATOM 675 O HIS A 47 -17.192 -10.809 -19.485 1.00 0.00 O ATOM 676 CB HIS A 47 -14.783 -10.213 -17.264 1.00 0.00 C ATOM 677 CG HIS A 47 -14.562 -11.680 -17.474 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.469 -12.583 -16.436 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.417 -12.400 -18.611 1.00 0.00 C ATOM 680 CE1 HIS A 47 -14.274 -13.794 -16.925 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.240 -13.711 -18.243 1.00 0.00 N ATOM 0 H HIS A 47 -14.871 -7.757 -17.475 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.906 -9.769 -19.362 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.824 -9.734 -17.066 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.400 -10.070 -16.377 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.540 -12.352 -15.445 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.437 -12.015 -19.620 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.161 -14.699 -16.346 1.00 0.00 H new ATOM 689 N GLU A 48 -17.766 -9.526 -17.727 1.00 0.00 N ATOM 690 CA GLU A 48 -19.170 -9.917 -17.760 1.00 0.00 C ATOM 691 C GLU A 48 -19.856 -9.377 -19.012 1.00 0.00 C ATOM 692 O GLU A 48 -20.750 -10.014 -19.567 1.00 0.00 O ATOM 693 CB GLU A 48 -19.893 -9.412 -16.510 1.00 0.00 C ATOM 694 CG GLU A 48 -19.565 -10.203 -15.255 1.00 0.00 C ATOM 695 CD GLU A 48 -20.057 -9.524 -13.992 1.00 0.00 C ATOM 696 OE1 GLU A 48 -20.461 -8.345 -14.071 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.038 -10.172 -12.925 1.00 0.00 O ATOM 0 H GLU A 48 -17.530 -8.863 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.217 -11.006 -17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.633 -8.366 -16.348 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -20.969 -9.450 -16.682 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -20.012 -11.194 -15.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.486 -10.344 -15.191 1.00 0.00 H new ATOM 704 N ALA A 49 -19.430 -8.196 -19.450 1.00 0.00 N ATOM 705 CA ALA A 49 -20.001 -7.570 -20.635 1.00 0.00 C ATOM 706 C ALA A 49 -19.828 -8.457 -21.863 1.00 0.00 C ATOM 707 O ALA A 49 -20.728 -8.563 -22.695 1.00 0.00 O ATOM 708 CB ALA A 49 -19.364 -6.208 -20.872 1.00 0.00 C ATOM 0 H ALA A 49 -18.691 -7.654 -19.001 1.00 0.00 H new ATOM 0 HA ALA A 49 -21.069 -7.435 -20.464 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.800 -5.752 -21.761 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.545 -5.567 -20.009 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.290 -6.329 -21.016 1.00 0.00 H new ATOM 714 N GLN A 50 -18.665 -9.093 -21.969 1.00 0.00 N ATOM 715 CA GLN A 50 -18.374 -9.970 -23.096 1.00 0.00 C ATOM 716 C GLN A 50 -18.592 -11.432 -22.719 1.00 0.00 C ATOM 717 O GLN A 50 -18.206 -11.868 -21.634 1.00 0.00 O ATOM 718 CB GLN A 50 -16.936 -9.763 -23.573 1.00 0.00 C ATOM 719 CG GLN A 50 -16.789 -8.652 -24.601 1.00 0.00 C ATOM 720 CD GLN A 50 -15.488 -8.740 -25.374 1.00 0.00 C ATOM 721 OE1 GLN A 50 -14.530 -9.373 -24.929 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.447 -8.104 -26.539 1.00 0.00 N ATOM 0 H GLN A 50 -17.910 -9.017 -21.288 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.058 -9.717 -23.906 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -16.306 -9.536 -22.713 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.567 -10.695 -24.002 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.625 -8.695 -25.299 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.843 -7.687 -24.097 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.265 -7.591 -26.869 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.598 -8.128 -27.104 1.00 0.00 H new ATOM 731 N LYS A 51 -19.213 -12.184 -23.621 1.00 0.00 N ATOM 732 CA LYS A 51 -19.482 -13.597 -23.384 1.00 0.00 C ATOM 733 C LYS A 51 -20.022 -14.267 -24.643 1.00 0.00 C ATOM 734 O LYS A 51 -20.362 -13.596 -25.618 1.00 0.00 O ATOM 735 CB LYS A 51 -20.483 -13.762 -22.237 1.00 0.00 C ATOM 736 CG LYS A 51 -21.868 -13.229 -22.558 1.00 0.00 C ATOM 737 CD LYS A 51 -22.689 -13.015 -21.297 1.00 0.00 C ATOM 738 CE LYS A 51 -24.180 -13.023 -21.594 1.00 0.00 C ATOM 739 NZ LYS A 51 -24.994 -12.892 -20.354 1.00 0.00 N ATOM 0 H LYS A 51 -19.540 -11.838 -24.523 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.543 -14.079 -23.111 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.560 -14.819 -21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.100 -13.248 -21.355 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.780 -12.287 -23.100 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.385 -13.928 -23.215 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.457 -13.797 -20.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.413 -12.065 -20.839 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.419 -12.205 -22.273 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.443 -13.949 -22.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.005 -12.902 -20.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.785 -13.686 -19.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.762 -11.996 -19.879 1.00 0.00 H new TER 753 LYS A 51