USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 443 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 12 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.9!) USER MOD Set 1.2: A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 ASN : amide:sc= -0.524 K(o=-0.52,f=-1.9!) USER MOD Set 2.2: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -153:sc= -0.11 (180deg=-1.2) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 9 HIS :FLIP no HE2:sc= -0.0963 F(o=-1.5,f=-0.096) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.344 F(o=-0.22,f=0.34) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -123:sc= -0.0253 (180deg=-1.99!) USER MOD Single : A 39 ASN : amide:sc= -3.99! C(o=-4!,f=-4.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 102:sc= 0.669 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 157:sc=-0.00948 (180deg=-0.361) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 77:sc= 0.529 USER MOD Single : A 55 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -28.899 17.529 14.097 1.00 0.00 N ATOM 2 CA LYS A 1 -28.635 16.168 13.549 1.00 0.00 C ATOM 3 C LYS A 1 -27.675 15.404 14.465 1.00 0.00 C ATOM 4 O LYS A 1 -28.020 14.386 15.031 1.00 0.00 O ATOM 5 CB LYS A 1 -27.993 16.409 12.182 1.00 0.00 C ATOM 6 CG LYS A 1 -28.993 17.120 11.267 1.00 0.00 C ATOM 7 CD LYS A 1 -28.347 17.370 9.902 1.00 0.00 C ATOM 8 CE LYS A 1 -29.324 18.136 9.008 1.00 0.00 C ATOM 9 NZ LYS A 1 -28.517 18.547 7.826 1.00 0.00 N ATOM 0 H1 LYS A 1 -29.833 17.856 13.779 1.00 0.00 H new ATOM 0 H2 LYS A 1 -28.880 17.495 15.136 1.00 0.00 H new ATOM 0 H3 LYS A 1 -28.168 18.187 13.759 1.00 0.00 H new ATOM 0 HA LYS A 1 -29.544 15.571 13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -27.092 17.013 12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -27.689 15.461 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -29.891 16.513 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -29.303 18.065 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -27.425 17.939 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -28.078 16.422 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -30.165 17.509 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -29.737 19.002 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -29.117 19.079 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -27.727 19.148 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -28.142 17.701 7.351 1.00 0.00 H new ATOM 25 N ASN A 2 -26.473 15.889 14.617 1.00 0.00 N ATOM 26 CA ASN A 2 -25.494 15.189 15.498 1.00 0.00 C ATOM 27 C ASN A 2 -25.919 15.311 16.964 1.00 0.00 C ATOM 28 O ASN A 2 -26.262 16.377 17.435 1.00 0.00 O ATOM 29 CB ASN A 2 -24.164 15.907 15.264 1.00 0.00 C ATOM 30 CG ASN A 2 -23.019 15.046 15.802 1.00 0.00 C ATOM 31 OD1 ASN A 2 -23.131 13.838 15.870 1.00 0.00 O ATOM 32 ND2 ASN A 2 -21.915 15.622 16.191 1.00 0.00 N ATOM 0 H ASN A 2 -26.126 16.738 14.170 1.00 0.00 H new ATOM 0 HA ASN A 2 -25.427 14.124 15.275 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -24.023 16.096 14.200 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -24.169 16.877 15.762 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -21.146 15.058 16.552 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -21.821 16.636 16.134 1.00 0.00 H new ATOM 39 N GLU A 3 -25.899 14.226 17.689 1.00 0.00 N ATOM 40 CA GLU A 3 -26.301 14.279 19.125 1.00 0.00 C ATOM 41 C GLU A 3 -25.233 15.004 19.948 1.00 0.00 C ATOM 42 O GLU A 3 -25.508 15.545 21.001 1.00 0.00 O ATOM 43 CB GLU A 3 -26.413 12.817 19.559 1.00 0.00 C ATOM 44 CG GLU A 3 -27.659 12.191 18.931 1.00 0.00 C ATOM 45 CD GLU A 3 -27.240 11.237 17.811 1.00 0.00 C ATOM 46 OE1 GLU A 3 -26.131 10.733 17.872 1.00 0.00 O ATOM 47 OE2 GLU A 3 -28.037 11.023 16.912 1.00 0.00 O ATOM 0 H GLU A 3 -25.622 13.305 17.350 1.00 0.00 H new ATOM 0 HA GLU A 3 -27.235 14.821 19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -25.523 12.267 19.253 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -26.469 12.753 20.646 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -28.229 11.652 19.688 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -28.311 12.970 18.535 1.00 0.00 H new ATOM 54 N ASP A 4 -24.015 15.016 19.479 1.00 0.00 N ATOM 55 CA ASP A 4 -22.931 15.703 20.239 1.00 0.00 C ATOM 56 C ASP A 4 -22.923 17.199 19.918 1.00 0.00 C ATOM 57 O ASP A 4 -22.593 18.019 20.751 1.00 0.00 O ATOM 58 CB ASP A 4 -21.636 15.044 19.764 1.00 0.00 C ATOM 59 CG ASP A 4 -21.642 13.565 20.156 1.00 0.00 C ATOM 60 OD1 ASP A 4 -22.277 13.238 21.146 1.00 0.00 O ATOM 61 OD2 ASP A 4 -21.014 12.786 19.460 1.00 0.00 O ATOM 0 H ASP A 4 -23.723 14.581 18.604 1.00 0.00 H new ATOM 0 HA ASP A 4 -23.062 15.613 21.317 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.540 15.144 18.683 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.776 15.545 20.208 1.00 0.00 H new ATOM 66 N GLN A 5 -23.274 17.557 18.714 1.00 0.00 N ATOM 67 CA GLN A 5 -23.282 19.000 18.333 1.00 0.00 C ATOM 68 C GLN A 5 -21.890 19.592 18.542 1.00 0.00 C ATOM 69 O GLN A 5 -21.086 19.646 17.632 1.00 0.00 O ATOM 70 CB GLN A 5 -24.298 19.662 19.266 1.00 0.00 C ATOM 71 CG GLN A 5 -25.699 19.134 18.953 1.00 0.00 C ATOM 72 CD GLN A 5 -26.692 19.681 19.982 1.00 0.00 C ATOM 73 OE1 GLN A 5 -26.298 20.293 20.956 1.00 0.00 O ATOM 74 NE2 GLN A 5 -27.970 19.484 19.807 1.00 0.00 N ATOM 0 H GLN A 5 -23.556 16.913 17.975 1.00 0.00 H new ATOM 0 HA GLN A 5 -23.546 19.153 17.287 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.043 19.453 20.305 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.270 20.745 19.142 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -25.997 19.435 17.949 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -25.701 18.044 18.973 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -28.300 18.971 18.990 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -28.639 19.844 20.488 1.00 0.00 H new ATOM 83 N GLU A 6 -21.590 20.020 19.737 1.00 0.00 N ATOM 84 CA GLU A 6 -20.238 20.587 20.001 1.00 0.00 C ATOM 85 C GLU A 6 -19.199 19.468 19.911 1.00 0.00 C ATOM 86 O GLU A 6 -18.515 19.163 20.867 1.00 0.00 O ATOM 87 CB GLU A 6 -20.309 21.144 21.424 1.00 0.00 C ATOM 88 CG GLU A 6 -21.291 22.316 21.464 1.00 0.00 C ATOM 89 CD GLU A 6 -21.385 22.851 22.894 1.00 0.00 C ATOM 90 OE1 GLU A 6 -20.729 22.293 23.758 1.00 0.00 O ATOM 91 OE2 GLU A 6 -22.112 23.808 23.101 1.00 0.00 O ATOM 0 H GLU A 6 -22.220 20.002 20.539 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.955 21.359 19.285 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.628 20.364 22.116 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.321 21.472 21.747 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.960 23.106 20.790 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.273 21.994 21.119 1.00 0.00 H new ATOM 98 N MET A 7 -19.092 18.845 18.767 1.00 0.00 N ATOM 99 CA MET A 7 -18.114 17.732 18.602 1.00 0.00 C ATOM 100 C MET A 7 -16.804 18.055 19.326 1.00 0.00 C ATOM 101 O MET A 7 -16.111 17.175 19.797 1.00 0.00 O ATOM 102 CB MET A 7 -17.881 17.634 17.095 1.00 0.00 C ATOM 103 CG MET A 7 -19.125 17.047 16.424 1.00 0.00 C ATOM 104 SD MET A 7 -18.797 16.793 14.662 1.00 0.00 S ATOM 105 CE MET A 7 -18.653 14.990 14.716 1.00 0.00 C ATOM 0 H MET A 7 -19.643 19.061 17.936 1.00 0.00 H new ATOM 0 HA MET A 7 -18.482 16.797 19.024 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.665 18.620 16.685 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.014 17.006 16.890 1.00 0.00 H new ATOM 0 HG2 MET A 7 -19.393 16.101 16.895 1.00 0.00 H new ATOM 0 HG3 MET A 7 -19.973 17.720 16.554 1.00 0.00 H new ATOM 0 HE1 MET A 7 -18.447 14.611 13.715 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.839 14.710 15.385 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.586 14.561 15.081 1.00 0.00 H new ATOM 115 N CYS A 8 -16.460 19.311 19.417 1.00 0.00 N ATOM 116 CA CYS A 8 -15.194 19.690 20.109 1.00 0.00 C ATOM 117 C CYS A 8 -15.489 20.179 21.529 1.00 0.00 C ATOM 118 O CYS A 8 -16.353 21.007 21.744 1.00 0.00 O ATOM 119 CB CYS A 8 -14.606 20.821 19.266 1.00 0.00 C ATOM 120 SG CYS A 8 -13.786 20.126 17.811 1.00 0.00 S ATOM 0 H CYS A 8 -17.000 20.091 19.042 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.508 18.848 20.201 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.395 21.508 18.959 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.894 21.397 19.857 1.00 0.00 H new ATOM 125 N HIS A 9 -14.778 19.674 22.500 1.00 0.00 N ATOM 126 CA HIS A 9 -15.018 20.113 23.905 1.00 0.00 C ATOM 127 C HIS A 9 -13.690 20.453 24.587 1.00 0.00 C ATOM 128 O HIS A 9 -13.565 21.458 25.259 1.00 0.00 O ATOM 129 CB HIS A 9 -15.675 18.915 24.591 1.00 0.00 C ATOM 130 CG HIS A 9 -16.002 19.270 26.015 1.00 0.00 C ATOM 131 ND1 HIS A 9 -15.818 20.424 26.736 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 -16.603 18.373 26.883 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 -16.296 20.249 28.031 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 -16.758 18.996 28.066 1.00 0.00 N flip ATOM 0 H HIS A 9 -14.042 18.977 22.382 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.642 21.005 23.955 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.582 18.630 24.058 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.006 18.055 24.564 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -15.395 21.280 26.377 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.894 17.359 26.652 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.294 20.971 28.835 1.00 0.00 H new ATOM 142 N GLU A 10 -12.698 19.623 24.419 1.00 0.00 N ATOM 143 CA GLU A 10 -11.379 19.898 25.057 1.00 0.00 C ATOM 144 C GLU A 10 -10.591 20.917 24.231 1.00 0.00 C ATOM 145 O GLU A 10 -10.029 21.856 24.760 1.00 0.00 O ATOM 146 CB GLU A 10 -10.658 18.549 25.072 1.00 0.00 C ATOM 147 CG GLU A 10 -11.164 17.714 26.249 1.00 0.00 C ATOM 148 CD GLU A 10 -11.005 18.509 27.546 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.873 18.756 27.931 1.00 0.00 O ATOM 150 OE2 GLU A 10 -12.016 18.859 28.132 1.00 0.00 O ATOM 0 H GLU A 10 -12.743 18.766 23.868 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.485 20.316 26.058 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.833 18.020 24.135 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.582 18.701 25.156 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.211 17.450 26.098 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.606 16.780 26.312 1.00 0.00 H new ATOM 157 N PHE A 11 -10.543 20.742 22.939 1.00 0.00 N ATOM 158 CA PHE A 11 -9.789 21.702 22.085 1.00 0.00 C ATOM 159 C PHE A 11 -10.457 23.076 22.114 1.00 0.00 C ATOM 160 O PHE A 11 -9.841 24.078 21.819 1.00 0.00 O ATOM 161 CB PHE A 11 -9.849 21.120 20.677 1.00 0.00 C ATOM 162 CG PHE A 11 -8.905 19.947 20.566 1.00 0.00 C ATOM 163 CD1 PHE A 11 -7.576 20.154 20.176 1.00 0.00 C ATOM 164 CD2 PHE A 11 -9.358 18.652 20.846 1.00 0.00 C ATOM 165 CE1 PHE A 11 -6.701 19.068 20.065 1.00 0.00 C ATOM 166 CE2 PHE A 11 -8.483 17.566 20.734 1.00 0.00 C ATOM 167 CZ PHE A 11 -7.155 17.774 20.343 1.00 0.00 C ATOM 0 H PHE A 11 -10.993 19.976 22.438 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.764 21.834 22.431 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.866 20.802 20.448 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.582 21.884 19.947 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.226 21.153 19.961 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.382 18.492 21.148 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.676 19.228 19.765 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.832 16.567 20.949 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.480 16.935 20.256 1.00 0.00 H new ATOM 177 N GLN A 12 -11.713 23.136 22.466 1.00 0.00 N ATOM 178 CA GLN A 12 -12.399 24.458 22.509 1.00 0.00 C ATOM 179 C GLN A 12 -11.506 25.467 23.228 1.00 0.00 C ATOM 180 O GLN A 12 -11.287 26.564 22.758 1.00 0.00 O ATOM 181 CB GLN A 12 -13.687 24.223 23.296 1.00 0.00 C ATOM 182 CG GLN A 12 -14.463 25.539 23.398 1.00 0.00 C ATOM 183 CD GLN A 12 -15.520 25.425 24.497 1.00 0.00 C ATOM 184 OE1 GLN A 12 -15.644 24.399 25.135 1.00 0.00 O ATOM 185 NE2 GLN A 12 -16.295 26.445 24.748 1.00 0.00 N ATOM 0 H GLN A 12 -12.289 22.334 22.723 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.609 24.853 21.515 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.296 23.466 22.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.455 23.846 24.292 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.780 26.360 23.619 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.938 25.768 22.444 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.192 27.307 24.213 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.003 26.380 25.479 1.00 0.00 H new ATOM 194 N ALA A 13 -10.978 25.098 24.363 1.00 0.00 N ATOM 195 CA ALA A 13 -10.089 26.032 25.105 1.00 0.00 C ATOM 196 C ALA A 13 -8.915 26.441 24.215 1.00 0.00 C ATOM 197 O ALA A 13 -8.247 27.425 24.463 1.00 0.00 O ATOM 198 CB ALA A 13 -9.596 25.236 26.313 1.00 0.00 C ATOM 0 H ALA A 13 -11.124 24.191 24.807 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.600 26.946 25.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.932 25.859 26.913 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.449 24.927 26.918 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.055 24.353 25.971 1.00 0.00 H new ATOM 204 N PHE A 14 -8.658 25.690 23.175 1.00 0.00 N ATOM 205 CA PHE A 14 -7.530 26.035 22.270 1.00 0.00 C ATOM 206 C PHE A 14 -8.009 26.964 21.150 1.00 0.00 C ATOM 207 O PHE A 14 -7.348 27.128 20.144 1.00 0.00 O ATOM 208 CB PHE A 14 -7.073 24.697 21.690 1.00 0.00 C ATOM 209 CG PHE A 14 -6.722 23.735 22.803 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.600 24.190 24.125 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.516 22.384 22.509 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.275 23.289 25.147 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.191 21.484 23.530 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.070 21.937 24.850 1.00 0.00 C ATOM 0 H PHE A 14 -9.182 24.854 22.917 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.727 26.556 22.792 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.863 24.273 21.069 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.208 24.849 21.045 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.757 25.234 24.354 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.608 22.034 21.491 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.183 23.638 26.165 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.034 20.441 23.300 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.819 21.243 25.638 1.00 0.00 H new ATOM 224 N MET A 15 -9.156 27.566 21.311 1.00 0.00 N ATOM 225 CA MET A 15 -9.674 28.473 20.253 1.00 0.00 C ATOM 226 C MET A 15 -9.432 29.937 20.639 1.00 0.00 C ATOM 227 O MET A 15 -9.977 30.435 21.604 1.00 0.00 O ATOM 228 CB MET A 15 -11.168 28.167 20.181 1.00 0.00 C ATOM 229 CG MET A 15 -11.876 28.729 21.417 1.00 0.00 C ATOM 230 SD MET A 15 -13.444 27.859 21.660 1.00 0.00 S ATOM 231 CE MET A 15 -14.314 29.193 22.520 1.00 0.00 C ATOM 0 H MET A 15 -9.755 27.468 22.130 1.00 0.00 H new ATOM 0 HA MET A 15 -9.179 28.322 19.294 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.594 28.603 19.278 1.00 0.00 H new ATOM 0 HB3 MET A 15 -11.325 27.090 20.120 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.243 28.613 22.297 1.00 0.00 H new ATOM 0 HG3 MET A 15 -12.056 29.797 21.293 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.324 28.867 22.770 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.778 29.447 23.434 1.00 0.00 H new ATOM 0 HE3 MET A 15 -14.365 30.070 21.874 1.00 0.00 H new ATOM 241 N LYS A 16 -8.615 30.629 19.891 1.00 0.00 N ATOM 242 CA LYS A 16 -8.339 32.058 20.213 1.00 0.00 C ATOM 243 C LYS A 16 -9.282 32.969 19.421 1.00 0.00 C ATOM 244 O LYS A 16 -8.918 33.520 18.402 1.00 0.00 O ATOM 245 CB LYS A 16 -6.890 32.290 19.783 1.00 0.00 C ATOM 246 CG LYS A 16 -6.514 33.752 20.028 1.00 0.00 C ATOM 247 CD LYS A 16 -5.155 34.041 19.388 1.00 0.00 C ATOM 248 CE LYS A 16 -4.702 35.452 19.771 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.374 35.616 19.114 1.00 0.00 N ATOM 0 H LYS A 16 -8.127 30.266 19.072 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.492 32.279 21.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.224 31.633 20.342 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.768 32.044 18.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.274 34.410 19.607 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.475 33.955 21.098 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.420 33.308 19.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.225 33.951 18.304 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.411 36.203 19.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.625 35.563 20.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.995 36.560 19.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.719 34.891 19.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.481 35.511 18.085 1.00 0.00 H new ATOM 263 N ASN A 17 -10.492 33.131 19.884 1.00 0.00 N ATOM 264 CA ASN A 17 -11.456 34.007 19.157 1.00 0.00 C ATOM 265 C ASN A 17 -11.777 33.420 17.779 1.00 0.00 C ATOM 266 O ASN A 17 -11.587 34.057 16.764 1.00 0.00 O ATOM 267 CB ASN A 17 -10.739 35.350 19.012 1.00 0.00 C ATOM 268 CG ASN A 17 -11.765 36.446 18.718 1.00 0.00 C ATOM 269 OD1 ASN A 17 -11.808 37.502 19.484 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -12.534 36.341 17.784 1.00 0.00 N flip ATOM 0 H ASN A 17 -10.854 32.696 20.732 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.403 34.104 19.687 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.193 35.584 19.926 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.006 35.298 18.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.500 35.516 17.186 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.214 37.078 17.598 1.00 0.00 H new ATOM 277 N GLY A 18 -12.265 32.209 17.738 1.00 0.00 N ATOM 278 CA GLY A 18 -12.600 31.587 16.425 1.00 0.00 C ATOM 279 C GLY A 18 -11.347 30.949 15.822 1.00 0.00 C ATOM 280 O GLY A 18 -11.418 30.214 14.856 1.00 0.00 O ATOM 0 H GLY A 18 -12.446 31.625 18.555 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.376 30.833 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.999 32.341 15.746 1.00 0.00 H new ATOM 284 N LYS A 19 -10.201 31.220 16.383 1.00 0.00 N ATOM 285 CA LYS A 19 -8.947 30.625 15.837 1.00 0.00 C ATOM 286 C LYS A 19 -8.572 29.365 16.622 1.00 0.00 C ATOM 287 O LYS A 19 -8.235 29.425 17.786 1.00 0.00 O ATOM 288 CB LYS A 19 -7.882 31.707 16.019 1.00 0.00 C ATOM 289 CG LYS A 19 -6.724 31.452 15.052 1.00 0.00 C ATOM 290 CD LYS A 19 -5.961 30.201 15.489 1.00 0.00 C ATOM 291 CE LYS A 19 -4.708 30.040 14.628 1.00 0.00 C ATOM 292 NZ LYS A 19 -5.183 29.368 13.385 1.00 0.00 N ATOM 0 H LYS A 19 -10.078 31.826 17.194 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.052 30.328 14.793 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.313 32.691 15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.519 31.705 17.047 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.104 31.324 14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.054 32.312 15.035 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.685 30.280 16.540 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.597 29.322 15.391 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.254 31.006 14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.953 29.442 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.370 29.161 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.665 28.480 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.845 29.994 12.884 1.00 0.00 H new ATOM 306 N LEU A 20 -8.628 28.223 15.993 1.00 0.00 N ATOM 307 CA LEU A 20 -8.274 26.963 16.706 1.00 0.00 C ATOM 308 C LEU A 20 -6.792 26.638 16.502 1.00 0.00 C ATOM 309 O LEU A 20 -6.388 26.175 15.454 1.00 0.00 O ATOM 310 CB LEU A 20 -9.151 25.887 16.063 1.00 0.00 C ATOM 311 CG LEU A 20 -9.310 24.706 17.026 1.00 0.00 C ATOM 312 CD1 LEU A 20 -9.890 23.508 16.271 1.00 0.00 C ATOM 313 CD2 LEU A 20 -7.947 24.328 17.608 1.00 0.00 C ATOM 0 H LEU A 20 -8.903 28.108 15.018 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.438 27.036 17.781 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.129 26.301 15.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.702 25.549 15.129 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.983 24.989 17.836 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.004 22.667 16.955 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.863 23.774 15.859 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.217 23.228 15.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.064 23.488 18.292 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.272 24.047 16.800 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.533 25.180 18.147 1.00 0.00 H new ATOM 325 N PHE A 21 -5.977 26.866 17.497 1.00 0.00 N ATOM 326 CA PHE A 21 -4.524 26.554 17.348 1.00 0.00 C ATOM 327 C PHE A 21 -4.232 25.154 17.895 1.00 0.00 C ATOM 328 O PHE A 21 -3.513 24.986 18.858 1.00 0.00 O ATOM 329 CB PHE A 21 -3.765 27.629 18.140 1.00 0.00 C ATOM 330 CG PHE A 21 -4.425 27.879 19.479 1.00 0.00 C ATOM 331 CD1 PHE A 21 -4.101 27.082 20.584 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.355 28.918 19.617 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.706 27.321 21.823 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.959 29.157 20.856 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.636 28.359 21.959 1.00 0.00 C ATOM 0 H PHE A 21 -6.251 27.252 18.401 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.215 26.560 16.303 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.733 27.314 18.292 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.734 28.555 17.566 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.383 26.282 20.480 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.606 29.535 18.766 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.456 26.705 22.674 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.675 29.958 20.961 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.104 28.544 22.915 1.00 0.00 H new ATOM 345 N CYS A 22 -4.790 24.147 17.278 1.00 0.00 N ATOM 346 CA CYS A 22 -4.557 22.751 17.746 1.00 0.00 C ATOM 347 C CYS A 22 -3.058 22.459 17.927 1.00 0.00 C ATOM 348 O CYS A 22 -2.667 21.909 18.937 1.00 0.00 O ATOM 349 CB CYS A 22 -5.149 21.860 16.654 1.00 0.00 C ATOM 350 SG CYS A 22 -5.960 20.433 17.414 1.00 0.00 S ATOM 0 H CYS A 22 -5.401 24.233 16.465 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.017 22.576 18.718 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.866 22.425 16.058 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.363 21.527 15.976 1.00 0.00 H new ATOM 355 N PRO A 23 -2.256 22.820 16.950 1.00 0.00 N ATOM 356 CA PRO A 23 -0.800 22.561 17.042 1.00 0.00 C ATOM 357 C PRO A 23 -0.193 23.301 18.237 1.00 0.00 C ATOM 358 O PRO A 23 0.363 24.374 18.102 1.00 0.00 O ATOM 359 CB PRO A 23 -0.270 23.108 15.715 1.00 0.00 C ATOM 360 CG PRO A 23 -1.456 23.659 14.899 1.00 0.00 C ATOM 361 CD PRO A 23 -2.742 23.497 15.720 1.00 0.00 C ATOM 0 HA PRO A 23 -0.552 21.511 17.196 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.462 23.895 15.896 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.239 22.321 15.158 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.292 24.709 14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.543 23.125 13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.205 24.458 15.942 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.486 22.898 15.195 1.00 0.00 H new ATOM 369 N GLN A 24 -0.294 22.729 19.406 1.00 0.00 N ATOM 370 CA GLN A 24 0.277 23.384 20.617 1.00 0.00 C ATOM 371 C GLN A 24 1.319 22.467 21.261 1.00 0.00 C ATOM 372 O GLN A 24 2.500 22.567 20.993 1.00 0.00 O ATOM 373 CB GLN A 24 -0.914 23.588 21.553 1.00 0.00 C ATOM 374 CG GLN A 24 -0.411 24.031 22.929 1.00 0.00 C ATOM 375 CD GLN A 24 -1.598 24.161 23.886 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.052 25.252 24.166 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.124 23.083 24.399 1.00 0.00 N ATOM 0 H GLN A 24 -0.750 21.832 19.575 1.00 0.00 H new ATOM 0 HA GLN A 24 0.777 24.325 20.388 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.589 24.338 21.142 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.483 22.662 21.642 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.306 23.307 23.317 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.111 24.984 22.848 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.742 22.167 24.163 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.917 23.156 25.036 1.00 0.00 H new ATOM 386 N ASP A 25 0.889 21.573 22.107 1.00 0.00 N ATOM 387 CA ASP A 25 1.850 20.646 22.766 1.00 0.00 C ATOM 388 C ASP A 25 1.392 19.198 22.577 1.00 0.00 C ATOM 389 O ASP A 25 0.864 18.582 23.479 1.00 0.00 O ATOM 390 CB ASP A 25 1.818 21.032 24.246 1.00 0.00 C ATOM 391 CG ASP A 25 3.188 20.764 24.874 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.971 20.058 24.260 1.00 0.00 O ATOM 393 OD2 ASP A 25 3.431 21.271 25.957 1.00 0.00 O ATOM 0 H ASP A 25 -0.088 21.444 22.371 1.00 0.00 H new ATOM 0 HA ASP A 25 2.854 20.720 22.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.557 22.085 24.352 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.050 20.459 24.766 1.00 0.00 H new ATOM 398 N LYS A 26 1.587 18.650 21.407 1.00 0.00 N ATOM 399 CA LYS A 26 1.155 17.243 21.159 1.00 0.00 C ATOM 400 C LYS A 26 1.960 16.263 22.023 1.00 0.00 C ATOM 401 O LYS A 26 1.692 15.078 22.038 1.00 0.00 O ATOM 402 CB LYS A 26 1.432 17.001 19.676 1.00 0.00 C ATOM 403 CG LYS A 26 0.264 17.541 18.845 1.00 0.00 C ATOM 404 CD LYS A 26 0.489 17.206 17.369 1.00 0.00 C ATOM 405 CE LYS A 26 -0.358 18.137 16.501 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.434 17.460 15.175 1.00 0.00 N ATOM 0 H LYS A 26 2.026 19.115 20.613 1.00 0.00 H new ATOM 0 HA LYS A 26 0.106 17.090 21.413 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.359 17.493 19.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.564 15.935 19.489 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.673 17.104 19.189 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.180 18.620 18.975 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.544 17.315 17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.221 16.167 17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.350 18.282 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.099 19.123 16.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.000 18.038 14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.525 17.342 14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.880 16.527 15.287 1.00 0.00 H new ATOM 420 N LYS A 27 2.939 16.743 22.743 1.00 0.00 N ATOM 421 CA LYS A 27 3.751 15.834 23.601 1.00 0.00 C ATOM 422 C LYS A 27 2.847 14.823 24.313 1.00 0.00 C ATOM 423 O LYS A 27 3.266 13.735 24.656 1.00 0.00 O ATOM 424 CB LYS A 27 4.431 16.755 24.613 1.00 0.00 C ATOM 425 CG LYS A 27 5.422 17.667 23.889 1.00 0.00 C ATOM 426 CD LYS A 27 6.639 16.852 23.450 1.00 0.00 C ATOM 427 CE LYS A 27 7.569 17.734 22.614 1.00 0.00 C ATOM 428 NZ LYS A 27 8.438 16.777 21.871 1.00 0.00 N ATOM 0 H LYS A 27 3.211 17.726 22.773 1.00 0.00 H new ATOM 0 HA LYS A 27 4.473 15.256 23.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.684 17.354 25.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.949 16.164 25.368 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.945 18.124 23.022 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.733 18.479 24.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.169 16.471 24.323 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.320 15.987 22.868 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.004 18.368 21.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.160 18.396 23.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.105 17.306 21.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.968 16.192 22.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.848 16.165 21.272 1.00 0.00 H new ATOM 442 N PHE A 28 1.608 15.169 24.534 1.00 0.00 N ATOM 443 CA PHE A 28 0.681 14.223 25.218 1.00 0.00 C ATOM 444 C PHE A 28 0.707 12.861 24.514 1.00 0.00 C ATOM 445 O PHE A 28 0.324 11.854 25.075 1.00 0.00 O ATOM 446 CB PHE A 28 -0.701 14.864 25.098 1.00 0.00 C ATOM 447 CG PHE A 28 -0.658 16.271 25.647 1.00 0.00 C ATOM 448 CD1 PHE A 28 -0.321 16.493 26.988 1.00 0.00 C ATOM 449 CD2 PHE A 28 -0.955 17.356 24.813 1.00 0.00 C ATOM 450 CE1 PHE A 28 -0.283 17.798 27.494 1.00 0.00 C ATOM 451 CE2 PHE A 28 -0.916 18.660 25.319 1.00 0.00 C ATOM 452 CZ PHE A 28 -0.581 18.882 26.658 1.00 0.00 C ATOM 0 H PHE A 28 1.198 16.065 24.271 1.00 0.00 H new ATOM 0 HA PHE A 28 0.958 14.050 26.258 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.016 14.880 24.055 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.436 14.272 25.644 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.090 15.657 27.632 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.214 17.186 23.778 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.024 17.969 28.528 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.145 19.496 24.674 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.552 19.889 27.048 1.00 0.00 H new ATOM 462 N PHE A 29 1.157 12.826 23.288 1.00 0.00 N ATOM 463 CA PHE A 29 1.212 11.534 22.544 1.00 0.00 C ATOM 464 C PHE A 29 1.888 10.453 23.395 1.00 0.00 C ATOM 465 O PHE A 29 1.721 9.273 23.163 1.00 0.00 O ATOM 466 CB PHE A 29 2.052 11.833 21.300 1.00 0.00 C ATOM 467 CG PHE A 29 2.105 10.608 20.421 1.00 0.00 C ATOM 468 CD1 PHE A 29 2.807 9.473 20.842 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.450 10.606 19.182 1.00 0.00 C ATOM 470 CE1 PHE A 29 2.855 8.336 20.026 1.00 0.00 C ATOM 471 CE2 PHE A 29 1.498 9.469 18.367 1.00 0.00 C ATOM 472 CZ PHE A 29 2.200 8.335 18.789 1.00 0.00 C ATOM 0 H PHE A 29 1.490 13.638 22.769 1.00 0.00 H new ATOM 0 HA PHE A 29 0.218 11.163 22.293 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.621 12.670 20.750 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.060 12.128 21.591 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.312 9.474 21.797 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.908 11.482 18.856 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.397 7.460 20.351 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.993 9.467 17.412 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.237 7.458 18.160 1.00 0.00 H new ATOM 482 N GLN A 30 2.653 10.847 24.377 1.00 0.00 N ATOM 483 CA GLN A 30 3.344 9.843 25.236 1.00 0.00 C ATOM 484 C GLN A 30 2.335 9.096 26.116 1.00 0.00 C ATOM 485 O GLN A 30 2.692 8.205 26.861 1.00 0.00 O ATOM 486 CB GLN A 30 4.303 10.663 26.100 1.00 0.00 C ATOM 487 CG GLN A 30 5.488 11.122 25.249 1.00 0.00 C ATOM 488 CD GLN A 30 6.698 11.373 26.151 1.00 0.00 C ATOM 489 OE1 GLN A 30 7.277 10.446 26.682 1.00 0.00 O ATOM 490 NE2 GLN A 30 7.105 12.596 26.348 1.00 0.00 N ATOM 0 H GLN A 30 2.829 11.821 24.622 1.00 0.00 H new ATOM 0 HA GLN A 30 3.862 9.086 24.646 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.785 11.526 26.518 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.655 10.065 26.940 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.728 10.365 24.503 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.230 12.032 24.708 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.618 13.374 25.902 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.910 12.775 26.948 1.00 0.00 H new ATOM 499 N SER A 31 1.080 9.448 26.040 1.00 0.00 N ATOM 500 CA SER A 31 0.063 8.749 26.879 1.00 0.00 C ATOM 501 C SER A 31 -1.187 8.437 26.052 1.00 0.00 C ATOM 502 O SER A 31 -1.444 9.061 25.041 1.00 0.00 O ATOM 503 CB SER A 31 -0.270 9.734 27.999 1.00 0.00 C ATOM 504 OG SER A 31 0.899 9.996 28.761 1.00 0.00 O ATOM 0 H SER A 31 0.716 10.185 25.437 1.00 0.00 H new ATOM 0 HA SER A 31 0.432 7.799 27.265 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.659 10.662 27.579 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.050 9.323 28.640 1.00 0.00 H new ATOM 0 HG SER A 31 0.687 10.629 29.479 1.00 0.00 H new ATOM 510 N LEU A 32 -1.967 7.479 26.473 1.00 0.00 N ATOM 511 CA LEU A 32 -3.200 7.133 25.709 1.00 0.00 C ATOM 512 C LEU A 32 -4.119 8.350 25.621 1.00 0.00 C ATOM 513 O LEU A 32 -4.606 8.698 24.564 1.00 0.00 O ATOM 514 CB LEU A 32 -3.868 6.015 26.506 1.00 0.00 C ATOM 515 CG LEU A 32 -4.693 5.139 25.562 1.00 0.00 C ATOM 516 CD1 LEU A 32 -4.960 3.785 26.223 1.00 0.00 C ATOM 517 CD2 LEU A 32 -6.024 5.830 25.259 1.00 0.00 C ATOM 0 H LEU A 32 -1.804 6.922 27.312 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.978 6.823 24.688 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.113 5.413 27.011 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.509 6.438 27.280 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.142 4.987 24.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.548 3.161 25.550 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.012 3.292 26.439 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.510 3.936 27.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.613 5.206 24.586 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.574 5.982 26.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.834 6.794 24.787 1.00 0.00 H new ATOM 529 N ASP A 33 -4.352 9.003 26.723 1.00 0.00 N ATOM 530 CA ASP A 33 -5.232 10.204 26.699 1.00 0.00 C ATOM 531 C ASP A 33 -4.675 11.213 25.702 1.00 0.00 C ATOM 532 O ASP A 33 -5.403 11.840 24.959 1.00 0.00 O ATOM 533 CB ASP A 33 -5.190 10.763 28.121 1.00 0.00 C ATOM 534 CG ASP A 33 -6.343 11.749 28.317 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.896 12.189 27.321 1.00 0.00 O ATOM 536 OD2 ASP A 33 -6.655 12.048 29.458 1.00 0.00 O ATOM 0 H ASP A 33 -3.973 8.759 27.638 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.253 9.974 26.396 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.265 9.951 28.844 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.237 11.262 28.299 1.00 0.00 H new ATOM 541 N GLY A 34 -3.380 11.360 25.668 1.00 0.00 N ATOM 542 CA GLY A 34 -2.768 12.310 24.703 1.00 0.00 C ATOM 543 C GLY A 34 -2.945 11.744 23.298 1.00 0.00 C ATOM 544 O GLY A 34 -3.349 12.430 22.382 1.00 0.00 O ATOM 0 H GLY A 34 -2.721 10.863 26.267 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.242 13.289 24.781 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.710 12.449 24.926 1.00 0.00 H new ATOM 548 N ILE A 35 -2.660 10.484 23.127 1.00 0.00 N ATOM 549 CA ILE A 35 -2.829 9.864 21.787 1.00 0.00 C ATOM 550 C ILE A 35 -4.266 10.077 21.315 1.00 0.00 C ATOM 551 O ILE A 35 -4.523 10.302 20.150 1.00 0.00 O ATOM 552 CB ILE A 35 -2.529 8.376 21.990 1.00 0.00 C ATOM 553 CG1 ILE A 35 -1.016 8.158 21.948 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.188 7.553 20.879 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.462 8.715 20.635 1.00 0.00 C ATOM 0 H ILE A 35 -2.318 9.859 23.857 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.172 10.296 21.032 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.925 8.058 22.955 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.542 8.653 22.795 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.787 7.095 22.031 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.970 6.496 21.031 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.267 7.708 20.903 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.797 7.869 19.912 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.617 8.562 20.601 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.928 8.199 19.795 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.679 9.781 20.572 1.00 0.00 H new ATOM 567 N MET A 36 -5.206 10.019 22.217 1.00 0.00 N ATOM 568 CA MET A 36 -6.625 10.231 21.820 1.00 0.00 C ATOM 569 C MET A 36 -6.846 11.695 21.445 1.00 0.00 C ATOM 570 O MET A 36 -7.127 12.019 20.309 1.00 0.00 O ATOM 571 CB MET A 36 -7.451 9.879 23.052 1.00 0.00 C ATOM 572 CG MET A 36 -8.060 8.486 22.881 1.00 0.00 C ATOM 573 SD MET A 36 -9.120 8.113 24.298 1.00 0.00 S ATOM 574 CE MET A 36 -9.272 6.334 24.006 1.00 0.00 C ATOM 0 H MET A 36 -5.053 9.835 23.209 1.00 0.00 H new ATOM 0 HA MET A 36 -6.902 9.623 20.959 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.823 9.906 23.943 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.240 10.617 23.196 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.639 8.441 21.959 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.270 7.740 22.798 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.325 6.069 23.915 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.751 6.070 23.086 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.832 5.789 24.841 1.00 0.00 H new ATOM 584 N PHE A 37 -6.716 12.587 22.390 1.00 0.00 N ATOM 585 CA PHE A 37 -6.918 14.027 22.072 1.00 0.00 C ATOM 586 C PHE A 37 -6.147 14.364 20.789 1.00 0.00 C ATOM 587 O PHE A 37 -6.695 14.901 19.848 1.00 0.00 O ATOM 588 CB PHE A 37 -6.393 14.789 23.309 1.00 0.00 C ATOM 589 CG PHE A 37 -5.291 15.757 22.931 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.959 15.332 22.928 1.00 0.00 C ATOM 591 CD2 PHE A 37 -5.608 17.072 22.576 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.943 16.221 22.569 1.00 0.00 C ATOM 593 CE2 PHE A 37 -4.590 17.963 22.215 1.00 0.00 C ATOM 594 CZ PHE A 37 -3.257 17.536 22.212 1.00 0.00 C ATOM 0 H PHE A 37 -6.480 12.382 23.361 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.957 14.297 21.883 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.213 15.333 23.779 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.019 14.078 24.045 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.716 14.316 23.203 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.637 17.400 22.580 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.914 15.892 22.567 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.833 18.979 21.939 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.471 18.222 21.934 1.00 0.00 H new ATOM 604 N ILE A 38 -4.883 14.035 20.738 1.00 0.00 N ATOM 605 CA ILE A 38 -4.094 14.323 19.509 1.00 0.00 C ATOM 606 C ILE A 38 -4.865 13.830 18.286 1.00 0.00 C ATOM 607 O ILE A 38 -4.889 14.470 17.253 1.00 0.00 O ATOM 608 CB ILE A 38 -2.788 13.546 19.676 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.910 14.243 20.718 1.00 0.00 C ATOM 610 CG2 ILE A 38 -2.050 13.500 18.337 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.520 13.603 20.729 1.00 0.00 C ATOM 0 H ILE A 38 -4.367 13.581 21.492 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.906 15.388 19.370 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.008 12.531 20.006 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.830 15.306 20.489 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.366 14.163 21.705 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.118 12.946 18.454 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.675 13.005 17.594 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.830 14.516 18.008 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.104 14.101 21.472 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.608 12.546 20.979 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.064 13.706 19.744 1.00 0.00 H new ATOM 623 N ASN A 39 -5.511 12.702 18.401 1.00 0.00 N ATOM 624 CA ASN A 39 -6.298 12.179 17.250 1.00 0.00 C ATOM 625 C ASN A 39 -7.519 13.071 17.032 1.00 0.00 C ATOM 626 O ASN A 39 -7.949 13.300 15.919 1.00 0.00 O ATOM 627 CB ASN A 39 -6.724 10.768 17.659 1.00 0.00 C ATOM 628 CG ASN A 39 -5.485 9.885 17.809 1.00 0.00 C ATOM 629 OD1 ASN A 39 -4.440 10.187 17.269 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.558 8.799 18.528 1.00 0.00 N ATOM 0 H ASN A 39 -5.528 12.122 19.240 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.729 12.166 16.320 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.276 10.801 18.598 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.395 10.348 16.910 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.737 8.203 18.637 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.436 8.546 18.981 1.00 0.00 H new ATOM 637 N LYS A 40 -8.069 13.586 18.096 1.00 0.00 N ATOM 638 CA LYS A 40 -9.254 14.478 17.971 1.00 0.00 C ATOM 639 C LYS A 40 -8.793 15.890 17.604 1.00 0.00 C ATOM 640 O LYS A 40 -9.572 16.720 17.182 1.00 0.00 O ATOM 641 CB LYS A 40 -9.907 14.468 19.354 1.00 0.00 C ATOM 642 CG LYS A 40 -11.268 15.162 19.279 1.00 0.00 C ATOM 643 CD LYS A 40 -11.801 15.395 20.695 1.00 0.00 C ATOM 644 CE LYS A 40 -12.985 16.363 20.639 1.00 0.00 C ATOM 645 NZ LYS A 40 -13.533 16.378 22.024 1.00 0.00 N ATOM 0 H LYS A 40 -7.747 13.426 19.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.948 14.150 17.197 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.028 13.443 19.704 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.266 14.977 20.074 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.175 16.112 18.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.969 14.550 18.711 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.111 14.449 21.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.014 15.802 21.329 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.667 17.358 20.329 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.734 16.030 19.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.350 17.021 22.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.833 15.418 22.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.799 16.706 22.684 1.00 0.00 H new ATOM 659 N CYS A 41 -7.526 16.162 17.759 1.00 0.00 N ATOM 660 CA CYS A 41 -7.003 17.514 17.414 1.00 0.00 C ATOM 661 C CYS A 41 -7.189 17.774 15.921 1.00 0.00 C ATOM 662 O CYS A 41 -7.994 18.586 15.512 1.00 0.00 O ATOM 663 CB CYS A 41 -5.515 17.456 17.757 1.00 0.00 C ATOM 664 SG CYS A 41 -4.678 18.909 17.076 1.00 0.00 S ATOM 0 H CYS A 41 -6.829 15.505 18.110 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.518 18.311 17.951 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.382 17.421 18.838 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.073 16.546 17.351 1.00 0.00 H new ATOM 669 N ALA A 42 -6.446 17.080 15.106 1.00 0.00 N ATOM 670 CA ALA A 42 -6.572 17.273 13.634 1.00 0.00 C ATOM 671 C ALA A 42 -8.039 17.165 13.215 1.00 0.00 C ATOM 672 O ALA A 42 -8.473 17.789 12.267 1.00 0.00 O ATOM 673 CB ALA A 42 -5.750 16.142 13.014 1.00 0.00 C ATOM 0 H ALA A 42 -5.756 16.387 15.395 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.220 18.253 13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.793 16.215 11.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.714 16.223 13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.157 15.181 13.330 1.00 0.00 H new ATOM 679 N THR A 43 -8.809 16.381 13.920 1.00 0.00 N ATOM 680 CA THR A 43 -10.249 16.240 13.568 1.00 0.00 C ATOM 681 C THR A 43 -11.025 17.451 14.086 1.00 0.00 C ATOM 682 O THR A 43 -11.719 18.120 13.350 1.00 0.00 O ATOM 683 CB THR A 43 -10.709 14.962 14.271 1.00 0.00 C ATOM 684 OG1 THR A 43 -9.917 13.869 13.830 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.179 14.697 13.941 1.00 0.00 C ATOM 0 H THR A 43 -8.502 15.833 14.724 1.00 0.00 H new ATOM 0 HA THR A 43 -10.414 16.187 12.492 1.00 0.00 H new ATOM 0 HB THR A 43 -10.597 15.079 15.349 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.245 13.656 14.511 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.506 13.786 14.442 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.785 15.536 14.282 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.295 14.580 12.864 1.00 0.00 H new ATOM 693 N CYS A 44 -10.904 17.742 15.349 1.00 0.00 N ATOM 694 CA CYS A 44 -11.626 18.916 15.911 1.00 0.00 C ATOM 695 C CYS A 44 -11.444 20.118 14.986 1.00 0.00 C ATOM 696 O CYS A 44 -12.324 20.940 14.839 1.00 0.00 O ATOM 697 CB CYS A 44 -10.969 19.173 17.267 1.00 0.00 C ATOM 698 SG CYS A 44 -11.829 20.525 18.108 1.00 0.00 S ATOM 0 H CYS A 44 -10.337 17.219 16.016 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.698 18.744 16.010 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.004 18.270 17.877 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.917 19.425 17.131 1.00 0.00 H new ATOM 703 N LYS A 45 -10.304 20.223 14.357 1.00 0.00 N ATOM 704 CA LYS A 45 -10.060 21.370 13.438 1.00 0.00 C ATOM 705 C LYS A 45 -11.081 21.360 12.296 1.00 0.00 C ATOM 706 O LYS A 45 -11.678 22.370 11.979 1.00 0.00 O ATOM 707 CB LYS A 45 -8.649 21.151 12.894 1.00 0.00 C ATOM 708 CG LYS A 45 -8.350 22.200 11.821 1.00 0.00 C ATOM 709 CD LYS A 45 -7.444 21.592 10.749 1.00 0.00 C ATOM 710 CE LYS A 45 -6.845 22.713 9.894 1.00 0.00 C ATOM 711 NZ LYS A 45 -5.840 22.035 9.027 1.00 0.00 N ATOM 0 H LYS A 45 -9.531 19.563 14.441 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.157 22.330 13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.921 21.223 13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.561 20.149 12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.279 22.550 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.867 23.068 12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.649 21.011 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.014 20.906 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.611 23.209 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.380 23.478 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.384 22.737 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.120 21.578 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.314 21.316 8.443 1.00 0.00 H new ATOM 725 N MET A 46 -11.288 20.230 11.676 1.00 0.00 N ATOM 726 CA MET A 46 -12.273 20.171 10.560 1.00 0.00 C ATOM 727 C MET A 46 -13.663 20.541 11.077 1.00 0.00 C ATOM 728 O MET A 46 -14.531 20.946 10.331 1.00 0.00 O ATOM 729 CB MET A 46 -12.239 18.725 10.065 1.00 0.00 C ATOM 730 CG MET A 46 -12.881 17.801 11.101 1.00 0.00 C ATOM 731 SD MET A 46 -14.255 16.902 10.339 1.00 0.00 S ATOM 732 CE MET A 46 -13.269 15.902 9.198 1.00 0.00 C ATOM 0 H MET A 46 -10.820 19.350 11.893 1.00 0.00 H new ATOM 0 HA MET A 46 -12.036 20.869 9.757 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.769 18.644 9.116 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.209 18.419 9.882 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.141 17.099 11.485 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.239 18.383 11.950 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.827 15.007 8.922 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.049 16.483 8.302 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.336 15.613 9.681 1.00 0.00 H new ATOM 742 N ILE A 47 -13.872 20.412 12.356 1.00 0.00 N ATOM 743 CA ILE A 47 -15.199 20.766 12.936 1.00 0.00 C ATOM 744 C ILE A 47 -15.397 22.281 12.870 1.00 0.00 C ATOM 745 O ILE A 47 -16.498 22.768 12.700 1.00 0.00 O ATOM 746 CB ILE A 47 -15.138 20.293 14.389 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.706 18.825 14.432 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.520 20.436 15.029 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.575 18.008 13.473 1.00 0.00 C ATOM 0 H ILE A 47 -13.181 20.076 13.027 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.029 20.306 12.399 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.417 20.899 14.938 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.656 18.736 14.154 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.801 18.437 15.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.478 20.099 16.065 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.828 21.481 15.000 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.240 19.830 14.479 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.267 16.963 13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.620 18.087 13.772 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.457 18.391 12.459 1.00 0.00 H new ATOM 761 N LEU A 48 -14.334 23.029 12.997 1.00 0.00 N ATOM 762 CA LEU A 48 -14.452 24.512 12.935 1.00 0.00 C ATOM 763 C LEU A 48 -14.679 24.958 11.489 1.00 0.00 C ATOM 764 O LEU A 48 -15.484 25.824 11.215 1.00 0.00 O ATOM 765 CB LEU A 48 -13.113 25.042 13.449 1.00 0.00 C ATOM 766 CG LEU A 48 -13.098 25.013 14.979 1.00 0.00 C ATOM 767 CD1 LEU A 48 -14.326 25.750 15.518 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.119 23.562 15.460 1.00 0.00 C ATOM 0 H LEU A 48 -13.388 22.675 13.141 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.290 24.884 13.524 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.297 24.436 13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.954 26.060 13.094 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.195 25.503 15.343 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.314 25.729 16.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.309 26.785 15.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.231 25.263 15.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.108 23.540 16.550 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.021 23.071 15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.242 23.039 15.078 1.00 0.00 H new ATOM 780 N GLU A 49 -13.973 24.369 10.561 1.00 0.00 N ATOM 781 CA GLU A 49 -14.149 24.762 9.133 1.00 0.00 C ATOM 782 C GLU A 49 -15.490 24.245 8.606 1.00 0.00 C ATOM 783 O GLU A 49 -16.076 24.813 7.706 1.00 0.00 O ATOM 784 CB GLU A 49 -12.990 24.099 8.390 1.00 0.00 C ATOM 785 CG GLU A 49 -13.152 22.579 8.449 1.00 0.00 C ATOM 786 CD GLU A 49 -12.005 21.914 7.686 1.00 0.00 C ATOM 787 OE1 GLU A 49 -11.192 22.636 7.131 1.00 0.00 O ATOM 788 OE2 GLU A 49 -11.958 20.695 7.668 1.00 0.00 O ATOM 0 H GLU A 49 -13.285 23.635 10.729 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.149 25.844 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.970 24.434 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.041 24.392 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.156 22.243 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.109 22.287 8.016 1.00 0.00 H new ATOM 795 N LYS A 50 -15.978 23.170 9.160 1.00 0.00 N ATOM 796 CA LYS A 50 -17.281 22.615 8.692 1.00 0.00 C ATOM 797 C LYS A 50 -18.380 23.674 8.812 1.00 0.00 C ATOM 798 O LYS A 50 -19.219 23.813 7.945 1.00 0.00 O ATOM 799 CB LYS A 50 -17.566 21.437 9.624 1.00 0.00 C ATOM 800 CG LYS A 50 -17.228 20.127 8.911 1.00 0.00 C ATOM 801 CD LYS A 50 -18.131 19.011 9.438 1.00 0.00 C ATOM 802 CE LYS A 50 -19.337 18.847 8.510 1.00 0.00 C ATOM 803 NZ LYS A 50 -19.998 17.591 8.962 1.00 0.00 N ATOM 0 H LYS A 50 -15.532 22.651 9.916 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.249 22.309 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.975 21.530 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.615 21.441 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.363 20.241 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.181 19.871 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.574 18.076 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.466 19.246 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.013 19.699 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.027 18.778 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.836 17.409 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.332 16.797 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.288 17.689 9.956 1.00 0.00 H new ATOM 817 N GLU A 51 -18.381 24.422 9.882 1.00 0.00 N ATOM 818 CA GLU A 51 -19.426 25.472 10.057 1.00 0.00 C ATOM 819 C GLU A 51 -19.323 26.513 8.940 1.00 0.00 C ATOM 820 O GLU A 51 -20.282 27.185 8.614 1.00 0.00 O ATOM 821 CB GLU A 51 -19.122 26.108 11.413 1.00 0.00 C ATOM 822 CG GLU A 51 -19.439 25.108 12.527 1.00 0.00 C ATOM 823 CD GLU A 51 -18.838 25.604 13.844 1.00 0.00 C ATOM 824 OE1 GLU A 51 -18.011 26.501 13.794 1.00 0.00 O ATOM 825 OE2 GLU A 51 -19.213 25.079 14.878 1.00 0.00 O ATOM 0 H GLU A 51 -17.704 24.352 10.642 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.435 25.062 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.074 26.403 11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.714 27.014 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.518 24.991 12.629 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.034 24.128 12.276 1.00 0.00 H new ATOM 832 N ALA A 52 -18.167 26.653 8.350 1.00 0.00 N ATOM 833 CA ALA A 52 -18.005 27.651 7.254 1.00 0.00 C ATOM 834 C ALA A 52 -18.611 27.115 5.955 1.00 0.00 C ATOM 835 O ALA A 52 -18.778 25.924 5.782 1.00 0.00 O ATOM 836 CB ALA A 52 -16.494 27.836 7.107 1.00 0.00 C ATOM 0 H ALA A 52 -17.328 26.120 8.579 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.511 28.591 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.291 28.559 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.079 28.200 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.034 26.881 6.853 1.00 0.00 H new ATOM 842 N LYS A 53 -18.941 27.984 5.041 1.00 0.00 N ATOM 843 CA LYS A 53 -19.535 27.524 3.753 1.00 0.00 C ATOM 844 C LYS A 53 -18.600 26.527 3.065 1.00 0.00 C ATOM 845 O LYS A 53 -19.023 25.710 2.271 1.00 0.00 O ATOM 846 CB LYS A 53 -19.683 28.790 2.910 1.00 0.00 C ATOM 847 CG LYS A 53 -20.419 28.457 1.612 1.00 0.00 C ATOM 848 CD LYS A 53 -20.426 29.684 0.699 1.00 0.00 C ATOM 849 CE LYS A 53 -21.169 29.354 -0.596 1.00 0.00 C ATOM 850 NZ LYS A 53 -21.124 30.614 -1.393 1.00 0.00 N ATOM 0 H LYS A 53 -18.825 28.994 5.129 1.00 0.00 H new ATOM 0 HA LYS A 53 -20.489 27.017 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -20.233 29.548 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.701 29.208 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.933 27.620 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -21.441 28.147 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.907 30.522 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -19.404 29.990 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.690 28.532 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -22.196 29.049 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.614 30.469 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -21.593 31.377 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.134 30.876 -1.573 1.00 0.00 H new ATOM 864 N SER A 54 -17.330 26.588 3.363 1.00 0.00 N ATOM 865 CA SER A 54 -16.369 25.643 2.725 1.00 0.00 C ATOM 866 C SER A 54 -16.641 25.546 1.221 1.00 0.00 C ATOM 867 O SER A 54 -16.643 24.475 0.649 1.00 0.00 O ATOM 868 CB SER A 54 -16.626 24.297 3.404 1.00 0.00 C ATOM 869 OG SER A 54 -16.405 24.421 4.801 1.00 0.00 O ATOM 0 H SER A 54 -16.917 27.250 4.020 1.00 0.00 H new ATOM 0 HA SER A 54 -15.335 25.967 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.649 23.972 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.967 23.536 2.987 1.00 0.00 H new ATOM 0 HG SER A 54 -17.172 24.870 5.215 1.00 0.00 H new ATOM 875 N GLN A 55 -16.870 26.659 0.577 1.00 0.00 N ATOM 876 CA GLN A 55 -17.141 26.628 -0.888 1.00 0.00 C ATOM 877 C GLN A 55 -15.942 26.042 -1.637 1.00 0.00 C ATOM 878 O GLN A 55 -15.061 26.807 -1.997 1.00 0.00 O ATOM 879 CB GLN A 55 -17.356 28.091 -1.281 1.00 0.00 C ATOM 880 CG GLN A 55 -17.641 28.180 -2.782 1.00 0.00 C ATOM 881 CD GLN A 55 -17.704 29.649 -3.202 1.00 0.00 C ATOM 882 OE1 GLN A 55 -17.104 30.499 -2.575 1.00 0.00 O ATOM 883 NE2 GLN A 55 -18.411 29.986 -4.246 1.00 0.00 N ATOM 884 OXT GLN A 55 -15.924 24.839 -1.838 1.00 0.00 O ATOM 0 H GLN A 55 -16.881 27.586 1.002 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.002 26.008 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -18.188 28.512 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.473 28.679 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.862 27.663 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -18.583 27.683 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.915 29.272 -4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.460 30.963 -4.535 1.00 0.00 H new TER 893 GLN A 55