USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 359 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 Single : A 1 ALA N :NH3+ -119:sc= 0.0804 (180deg=-0.00119) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -61:sc= 0.365 USER MOD Single : A 16 ASN : amide:sc=-0.00694 K(o=-0.0069,f=-0.62) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1 X(o=-1,f=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 1.57 (180deg=-0.425) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.39! C(o=-8.2!,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -2.4! (180deg=-5.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -106:sc= 0.76 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.286 F(o=-1.9,f=-0.29) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.61! C(o=-3.6!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.116 -14.118 -4.603 1.00 0.00 N ATOM 2 CA ALA A 1 3.340 -13.807 -3.375 1.00 0.00 C ATOM 3 C ALA A 1 1.925 -13.340 -3.725 1.00 0.00 C ATOM 4 O ALA A 1 1.635 -13.026 -4.880 1.00 0.00 O ATOM 5 CB ALA A 1 4.063 -12.750 -2.550 1.00 0.00 C ATOM 0 H1 ALA A 1 4.397 -15.119 -4.592 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.529 -13.933 -5.441 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.966 -13.520 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 1 3.256 -14.718 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.485 -12.530 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.048 -13.121 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.175 -11.841 -3.141 1.00 0.00 H new ATOM 13 N PRO A 2 1.024 -13.292 -2.725 1.00 0.00 N ATOM 14 CA PRO A 2 -0.372 -12.862 -2.920 1.00 0.00 C ATOM 15 C PRO A 2 -0.471 -11.509 -3.621 1.00 0.00 C ATOM 16 O PRO A 2 0.506 -10.777 -3.726 1.00 0.00 O ATOM 17 CB PRO A 2 -0.936 -12.848 -1.481 1.00 0.00 C ATOM 18 CG PRO A 2 0.257 -12.845 -0.590 1.00 0.00 C ATOM 19 CD PRO A 2 1.292 -13.641 -1.321 1.00 0.00 C ATOM 0 HA PRO A 2 -0.937 -13.521 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.556 -11.968 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.563 -13.720 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.603 -11.829 -0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.027 -13.291 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.303 -13.367 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.185 -14.711 -1.140 1.00 0.00 H new ATOM 24 N TRP A 3 -1.655 -11.203 -4.120 1.00 0.00 N ATOM 25 CA TRP A 3 -1.891 -9.969 -4.862 1.00 0.00 C ATOM 26 C TRP A 3 -3.143 -9.268 -4.358 1.00 0.00 C ATOM 27 O TRP A 3 -4.051 -9.901 -3.822 1.00 0.00 O ATOM 28 CB TRP A 3 -2.009 -10.319 -6.342 1.00 0.00 C ATOM 29 CG TRP A 3 -3.264 -11.035 -6.671 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.508 -12.376 -6.648 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.456 -10.411 -7.076 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.810 -12.615 -7.024 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.413 -11.410 -7.298 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.790 -9.087 -7.270 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.707 -11.106 -7.715 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.048 -8.778 -7.675 1.00 0.00 C ATOM 37 CH2 TRP A 3 -7.008 -9.777 -7.899 1.00 0.00 C ATOM 0 H TRP A 3 -2.479 -11.797 -4.025 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.060 -9.279 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.955 -9.404 -6.931 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.159 -10.936 -6.632 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.789 -13.135 -6.376 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.253 -13.531 -7.089 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.061 -8.308 -7.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.441 -11.880 -7.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.316 -7.743 -7.828 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.000 -9.497 -8.221 1.00 0.00 H new ATOM 47 N ALA A 4 -3.174 -7.941 -4.532 1.00 0.00 N ATOM 48 CA ALA A 4 -4.313 -7.160 -4.075 1.00 0.00 C ATOM 49 C ALA A 4 -4.664 -6.006 -5.006 1.00 0.00 C ATOM 50 O ALA A 4 -3.854 -5.571 -5.819 1.00 0.00 O ATOM 51 CB ALA A 4 -4.079 -6.603 -2.680 1.00 0.00 C ATOM 0 H ALA A 4 -2.434 -7.400 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.151 -7.856 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.949 -6.025 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.921 -7.425 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.199 -5.959 -2.688 1.00 0.00 H new ATOM 57 N THR A 5 -5.886 -5.532 -4.874 1.00 0.00 N ATOM 58 CA THR A 5 -6.375 -4.413 -5.664 1.00 0.00 C ATOM 59 C THR A 5 -6.705 -3.230 -4.772 1.00 0.00 C ATOM 60 O THR A 5 -7.055 -3.399 -3.604 1.00 0.00 O ATOM 61 CB THR A 5 -7.638 -4.794 -6.457 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.450 -6.055 -7.107 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.968 -3.732 -7.492 1.00 0.00 C ATOM 0 H THR A 5 -6.570 -5.909 -4.218 1.00 0.00 H new ATOM 0 HA THR A 5 -5.581 -4.144 -6.361 1.00 0.00 H new ATOM 0 HB THR A 5 -8.469 -4.868 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.260 -6.289 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.864 -4.024 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.142 -2.779 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.135 -3.630 -8.187 1.00 0.00 H new ATOM 71 N ALA A 6 -6.593 -2.026 -5.326 1.00 0.00 N ATOM 72 CA ALA A 6 -6.883 -0.806 -4.586 1.00 0.00 C ATOM 73 C ALA A 6 -8.363 -0.470 -4.669 1.00 0.00 C ATOM 74 O ALA A 6 -9.004 -0.658 -5.703 1.00 0.00 O ATOM 75 CB ALA A 6 -6.046 0.353 -5.110 1.00 0.00 C ATOM 0 H ALA A 6 -6.301 -1.871 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.624 -0.972 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.278 1.255 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.988 0.117 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.272 0.518 -6.163 1.00 0.00 H new ATOM 81 N GLU A 7 -8.892 0.028 -3.561 1.00 0.00 N ATOM 82 CA GLU A 7 -10.292 0.414 -3.486 1.00 0.00 C ATOM 83 C GLU A 7 -10.460 1.922 -3.282 1.00 0.00 C ATOM 84 O GLU A 7 -11.568 2.451 -3.349 1.00 0.00 O ATOM 85 CB GLU A 7 -10.992 -0.316 -2.340 1.00 0.00 C ATOM 86 CG GLU A 7 -10.916 -1.830 -2.450 1.00 0.00 C ATOM 87 CD GLU A 7 -11.468 -2.532 -1.224 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.169 -2.082 -0.098 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.200 -3.530 -1.391 1.00 0.00 O ATOM 0 H GLU A 7 -8.369 0.175 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.744 0.137 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.546 -0.005 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.039 -0.014 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.470 -2.155 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.878 -2.128 -2.599 1.00 0.00 H new ATOM 94 N TYR A 8 -9.336 2.605 -3.031 1.00 0.00 N ATOM 95 CA TYR A 8 -9.297 4.049 -2.826 1.00 0.00 C ATOM 96 C TYR A 8 -7.981 4.607 -3.345 1.00 0.00 C ATOM 97 O TYR A 8 -6.942 3.957 -3.223 1.00 0.00 O ATOM 98 CB TYR A 8 -9.408 4.343 -1.340 1.00 0.00 C ATOM 99 CG TYR A 8 -10.649 3.767 -0.739 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.709 2.429 -0.405 1.00 0.00 C ATOM 101 CD2 TYR A 8 -11.765 4.556 -0.525 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.848 1.884 0.130 1.00 0.00 C ATOM 103 CE2 TYR A 8 -12.911 4.027 0.013 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.954 2.685 0.342 1.00 0.00 C ATOM 105 OH TYR A 8 -14.100 2.145 0.878 1.00 0.00 O ATOM 0 H TYR A 8 -8.420 2.161 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.125 4.513 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.536 3.938 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.398 5.422 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.845 1.801 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.734 5.604 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.880 0.835 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.774 4.655 0.178 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.782 2.843 0.963 1.00 0.00 H new ATOM 114 N ASP A 9 -8.006 5.798 -3.919 1.00 0.00 N ATOM 115 CA ASP A 9 -6.817 6.455 -4.452 1.00 0.00 C ATOM 116 C ASP A 9 -5.892 6.807 -3.297 1.00 0.00 C ATOM 117 O ASP A 9 -5.974 7.900 -2.735 1.00 0.00 O ATOM 118 CB ASP A 9 -7.272 7.713 -5.188 1.00 0.00 C ATOM 119 CG ASP A 9 -6.119 8.449 -5.841 1.00 0.00 C ATOM 120 OD1 ASP A 9 -4.957 8.038 -5.634 1.00 0.00 O ATOM 121 OD2 ASP A 9 -6.377 9.436 -6.561 1.00 0.00 O ATOM 0 H ASP A 9 -8.860 6.345 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.276 5.806 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.003 7.441 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.774 8.379 -4.487 1.00 0.00 H new ATOM 125 N TYR A 10 -5.009 5.879 -2.945 1.00 0.00 N ATOM 126 CA TYR A 10 -4.112 6.093 -1.811 1.00 0.00 C ATOM 127 C TYR A 10 -2.891 6.938 -2.185 1.00 0.00 C ATOM 128 O TYR A 10 -2.243 6.710 -3.206 1.00 0.00 O ATOM 129 CB TYR A 10 -3.645 4.762 -1.186 1.00 0.00 C ATOM 130 CG TYR A 10 -3.146 4.946 0.239 1.00 0.00 C ATOM 131 CD1 TYR A 10 -2.203 5.896 0.522 1.00 0.00 C ATOM 132 CD2 TYR A 10 -3.665 4.232 1.300 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.780 6.152 1.790 1.00 0.00 C ATOM 134 CE2 TYR A 10 -3.234 4.470 2.599 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.291 5.440 2.832 1.00 0.00 C ATOM 136 OH TYR A 10 -1.861 5.703 4.108 1.00 0.00 O ATOM 0 H TYR A 10 -4.894 4.983 -3.419 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.696 6.642 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.470 4.049 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.850 4.334 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.778 6.465 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.416 3.478 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.040 6.918 1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.638 3.896 3.420 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.898 5.533 4.170 1.00 0.00 H new ATOM 145 N ASP A 11 -2.605 7.928 -1.333 1.00 0.00 N ATOM 146 CA ASP A 11 -1.416 8.764 -1.512 1.00 0.00 C ATOM 147 C ASP A 11 -0.426 8.611 -0.313 1.00 0.00 C ATOM 148 O ASP A 11 -0.198 9.571 0.421 1.00 0.00 O ATOM 149 CB ASP A 11 -1.896 10.213 -1.608 1.00 0.00 C ATOM 150 CG ASP A 11 -0.765 11.223 -1.563 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.230 11.035 -2.294 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.875 12.203 -0.796 1.00 0.00 O ATOM 0 H ASP A 11 -3.174 8.168 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.881 8.461 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.454 10.343 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.587 10.415 -0.790 1.00 0.00 H new ATOM 156 N ALA A 12 0.142 7.390 -0.136 1.00 0.00 N ATOM 157 CA ALA A 12 1.119 7.047 0.930 1.00 0.00 C ATOM 158 C ALA A 12 1.220 8.110 2.035 1.00 0.00 C ATOM 159 O ALA A 12 1.875 9.136 1.854 1.00 0.00 O ATOM 160 CB ALA A 12 2.465 6.817 0.272 1.00 0.00 C ATOM 0 H ALA A 12 -0.071 6.599 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 12 0.773 6.146 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.203 6.563 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.385 5.999 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.776 7.724 -0.247 1.00 0.00 H new ATOM 166 N ALA A 13 0.570 7.862 3.180 1.00 0.00 N ATOM 167 CA ALA A 13 0.529 8.796 4.300 1.00 0.00 C ATOM 168 C ALA A 13 1.885 8.977 5.034 1.00 0.00 C ATOM 169 O ALA A 13 2.133 10.058 5.568 1.00 0.00 O ATOM 170 CB ALA A 13 -0.536 8.366 5.285 1.00 0.00 C ATOM 0 H ALA A 13 0.055 6.998 3.351 1.00 0.00 H new ATOM 0 HA ALA A 13 0.291 9.769 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.563 9.066 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.507 8.354 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.306 7.367 5.656 1.00 0.00 H new ATOM 176 N GLU A 14 2.760 7.969 5.079 1.00 0.00 N ATOM 177 CA GLU A 14 4.034 8.110 5.834 1.00 0.00 C ATOM 178 C GLU A 14 5.344 8.142 5.025 1.00 0.00 C ATOM 179 O GLU A 14 6.408 8.286 5.626 1.00 0.00 O ATOM 180 CB GLU A 14 4.189 6.959 6.832 1.00 0.00 C ATOM 181 CG GLU A 14 3.554 7.238 8.185 1.00 0.00 C ATOM 182 CD GLU A 14 4.005 8.556 8.782 1.00 0.00 C ATOM 183 OE1 GLU A 14 3.386 9.594 8.467 1.00 0.00 O ATOM 184 OE2 GLU A 14 4.977 8.549 9.567 1.00 0.00 O ATOM 0 H GLU A 14 2.628 7.067 4.621 1.00 0.00 H new ATOM 0 HA GLU A 14 3.920 9.094 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.742 6.059 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.250 6.752 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.469 7.244 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.802 6.429 8.872 1.00 0.00 H new ATOM 189 N ASP A 15 5.280 7.991 3.709 1.00 0.00 N ATOM 190 CA ASP A 15 6.468 8.028 2.823 1.00 0.00 C ATOM 191 C ASP A 15 6.800 6.608 2.410 1.00 0.00 C ATOM 192 O ASP A 15 6.780 6.312 1.212 1.00 0.00 O ATOM 193 CB ASP A 15 7.681 8.746 3.429 1.00 0.00 C ATOM 194 CG ASP A 15 8.586 9.344 2.371 1.00 0.00 C ATOM 195 OD1 ASP A 15 9.340 8.579 1.732 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.542 10.578 2.178 1.00 0.00 O ATOM 0 H ASP A 15 4.404 7.838 3.209 1.00 0.00 H new ATOM 0 HA ASP A 15 6.215 8.628 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.336 9.535 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.251 8.042 4.035 1.00 0.00 H new ATOM 200 N ASN A 16 7.110 5.707 3.361 1.00 0.00 N ATOM 201 CA ASN A 16 7.385 4.362 2.880 1.00 0.00 C ATOM 202 C ASN A 16 6.113 3.548 2.992 1.00 0.00 C ATOM 203 O ASN A 16 6.053 2.517 3.666 1.00 0.00 O ATOM 204 CB ASN A 16 8.353 3.805 3.936 1.00 0.00 C ATOM 205 CG ASN A 16 9.448 2.956 3.328 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.283 2.385 2.249 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.577 2.869 4.021 1.00 0.00 N ATOM 0 H ASN A 16 7.171 5.868 4.366 1.00 0.00 H new ATOM 0 HA ASN A 16 7.759 4.339 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.802 4.633 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.794 3.209 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.353 2.312 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.668 3.360 4.911 1.00 0.00 H new ATOM 213 N GLU A 17 5.103 4.012 2.310 1.00 0.00 N ATOM 214 CA GLU A 17 3.902 3.296 2.044 1.00 0.00 C ATOM 215 C GLU A 17 3.883 3.103 0.546 1.00 0.00 C ATOM 216 O GLU A 17 4.708 3.694 -0.154 1.00 0.00 O ATOM 217 CB GLU A 17 2.692 4.080 2.525 1.00 0.00 C ATOM 218 CG GLU A 17 2.631 4.194 4.037 1.00 0.00 C ATOM 219 CD GLU A 17 1.420 4.968 4.511 1.00 0.00 C ATOM 220 OE1 GLU A 17 0.610 5.379 3.655 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.279 5.162 5.737 1.00 0.00 O ATOM 0 H GLU A 17 5.103 4.949 1.907 1.00 0.00 H new ATOM 0 HA GLU A 17 3.864 2.341 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.715 5.079 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.784 3.597 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.613 3.195 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.535 4.684 4.398 1.00 0.00 H new ATOM 226 N LEU A 18 2.991 2.313 0.026 1.00 0.00 N ATOM 227 CA LEU A 18 2.875 2.219 -1.408 1.00 0.00 C ATOM 228 C LEU A 18 1.830 3.246 -1.761 1.00 0.00 C ATOM 229 O LEU A 18 1.220 3.859 -0.885 1.00 0.00 O ATOM 230 CB LEU A 18 2.452 0.831 -1.870 1.00 0.00 C ATOM 231 CG LEU A 18 3.371 0.197 -2.905 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.537 -1.275 -2.606 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.822 0.402 -4.308 1.00 0.00 C ATOM 0 H LEU A 18 2.342 1.732 0.557 1.00 0.00 H new ATOM 0 HA LEU A 18 3.832 2.396 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.398 0.175 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.446 0.892 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 18 4.347 0.680 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.195 -1.725 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.972 -1.398 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.564 -1.765 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.494 -0.059 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.836 -0.057 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.742 1.469 -4.515 1.00 0.00 H new ATOM 244 N THR A 19 1.622 3.432 -3.042 1.00 0.00 N ATOM 245 CA THR A 19 0.712 4.464 -3.479 1.00 0.00 C ATOM 246 C THR A 19 0.008 3.998 -4.717 1.00 0.00 C ATOM 247 O THR A 19 0.649 3.619 -5.697 1.00 0.00 O ATOM 248 CB THR A 19 1.452 5.783 -3.762 1.00 0.00 C ATOM 249 OG1 THR A 19 2.857 5.615 -3.542 1.00 0.00 O ATOM 250 CG2 THR A 19 0.925 6.892 -2.877 1.00 0.00 C ATOM 0 H THR A 19 2.061 2.894 -3.789 1.00 0.00 H new ATOM 0 HA THR A 19 -0.009 4.654 -2.684 1.00 0.00 H new ATOM 0 HB THR A 19 1.280 6.056 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.320 6.459 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.462 7.816 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.138 7.036 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.072 6.623 -1.831 1.00 0.00 H new ATOM 258 N PHE A 20 -1.300 4.018 -4.691 1.00 0.00 N ATOM 259 CA PHE A 20 -2.037 3.509 -5.828 1.00 0.00 C ATOM 260 C PHE A 20 -3.383 4.184 -6.002 1.00 0.00 C ATOM 261 O PHE A 20 -3.862 4.923 -5.143 1.00 0.00 O ATOM 262 CB PHE A 20 -2.187 1.984 -5.706 1.00 0.00 C ATOM 263 CG PHE A 20 -2.225 1.528 -4.274 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.308 1.842 -3.474 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.159 0.838 -3.715 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.338 1.472 -2.146 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.178 0.474 -2.382 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.270 0.789 -1.596 1.00 0.00 C ATOM 0 H PHE A 20 -1.868 4.370 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.466 3.743 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.101 1.669 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.357 1.497 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.142 2.384 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.307 0.583 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.195 1.716 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.340 -0.056 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.289 0.502 -0.555 1.00 0.00 H new ATOM 277 N VAL A 21 -3.970 3.900 -7.146 1.00 0.00 N ATOM 278 CA VAL A 21 -5.268 4.427 -7.512 1.00 0.00 C ATOM 279 C VAL A 21 -6.191 3.273 -7.812 1.00 0.00 C ATOM 280 O VAL A 21 -5.791 2.341 -8.504 1.00 0.00 O ATOM 281 CB VAL A 21 -5.190 5.360 -8.726 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.793 6.762 -8.292 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.208 4.804 -9.736 1.00 0.00 C ATOM 0 H VAL A 21 -3.557 3.292 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.647 5.016 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.172 5.421 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.742 7.412 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.534 7.150 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.818 6.730 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.156 5.470 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.222 4.724 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.539 3.817 -10.060 1.00 0.00 H new ATOM 293 N GLU A 22 -7.410 3.330 -7.282 1.00 0.00 N ATOM 294 CA GLU A 22 -8.406 2.272 -7.446 1.00 0.00 C ATOM 295 C GLU A 22 -8.223 1.426 -8.699 1.00 0.00 C ATOM 296 O GLU A 22 -7.768 1.891 -9.745 1.00 0.00 O ATOM 297 CB GLU A 22 -9.813 2.856 -7.451 1.00 0.00 C ATOM 298 CG GLU A 22 -10.167 3.612 -8.723 1.00 0.00 C ATOM 299 CD GLU A 22 -10.065 5.116 -8.553 1.00 0.00 C ATOM 300 OE1 GLU A 22 -10.178 5.594 -7.405 1.00 0.00 O ATOM 301 OE2 GLU A 22 -9.871 5.815 -9.571 1.00 0.00 O ATOM 0 H GLU A 22 -7.738 4.117 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.260 1.612 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.531 2.048 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.919 3.529 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.503 3.295 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.181 3.352 -9.026 1.00 0.00 H new ATOM 306 N ASN A 23 -8.642 0.185 -8.564 1.00 0.00 N ATOM 307 CA ASN A 23 -8.506 -0.750 -9.667 1.00 0.00 C ATOM 308 C ASN A 23 -7.026 -1.048 -9.958 1.00 0.00 C ATOM 309 O ASN A 23 -6.715 -1.757 -10.915 1.00 0.00 O ATOM 310 CB ASN A 23 -9.195 -0.214 -10.925 1.00 0.00 C ATOM 311 CG ASN A 23 -10.420 0.627 -10.616 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.260 0.245 -9.800 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.528 1.779 -11.268 1.00 0.00 N ATOM 0 H ASN A 23 -9.071 -0.197 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.993 -1.680 -9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.484 0.384 -11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.486 -1.052 -11.558 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.330 2.386 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.809 2.057 -11.936 1.00 0.00 H new ATOM 319 N ASP A 24 -6.108 -0.507 -9.134 1.00 0.00 N ATOM 320 CA ASP A 24 -4.680 -0.757 -9.326 1.00 0.00 C ATOM 321 C ASP A 24 -4.383 -2.169 -8.859 1.00 0.00 C ATOM 322 O ASP A 24 -4.864 -2.623 -7.820 1.00 0.00 O ATOM 323 CB ASP A 24 -3.818 0.300 -8.585 1.00 0.00 C ATOM 324 CG ASP A 24 -2.612 -0.261 -7.836 1.00 0.00 C ATOM 325 OD1 ASP A 24 -2.804 -1.147 -6.976 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.485 0.195 -8.104 1.00 0.00 O ATOM 0 H ASP A 24 -6.332 0.096 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.421 -0.666 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.467 1.034 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.452 0.831 -7.876 1.00 0.00 H new ATOM 330 N LYS A 25 -3.575 -2.851 -9.656 1.00 0.00 N ATOM 331 CA LYS A 25 -3.202 -4.207 -9.367 1.00 0.00 C ATOM 332 C LYS A 25 -1.960 -4.231 -8.471 1.00 0.00 C ATOM 333 O LYS A 25 -0.989 -3.519 -8.727 1.00 0.00 O ATOM 334 CB LYS A 25 -2.940 -4.922 -10.693 1.00 0.00 C ATOM 335 CG LYS A 25 -2.294 -6.271 -10.562 1.00 0.00 C ATOM 336 CD LYS A 25 -3.319 -7.370 -10.392 1.00 0.00 C ATOM 337 CE LYS A 25 -2.702 -8.563 -9.706 1.00 0.00 C ATOM 338 NZ LYS A 25 -3.540 -9.786 -9.837 1.00 0.00 N ATOM 0 H LYS A 25 -3.168 -2.475 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.002 -4.718 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.887 -5.037 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.305 -4.289 -11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.689 -6.472 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.618 -6.269 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.162 -7.002 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.711 -7.665 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.716 -8.754 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.556 -8.337 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.936 -10.630 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.250 -9.803 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.020 -9.781 -10.760 1.00 0.00 H new ATOM 348 N ILE A 26 -1.993 -5.051 -7.423 1.00 0.00 N ATOM 349 CA ILE A 26 -0.861 -5.185 -6.505 1.00 0.00 C ATOM 350 C ILE A 26 -0.461 -6.655 -6.441 1.00 0.00 C ATOM 351 O ILE A 26 -1.309 -7.526 -6.281 1.00 0.00 O ATOM 352 CB ILE A 26 -1.238 -4.702 -5.085 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.782 -3.274 -5.125 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.035 -4.786 -4.156 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.778 -2.977 -4.025 1.00 0.00 C ATOM 0 H ILE A 26 -2.795 -5.636 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.036 -4.573 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.020 -5.356 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.950 -2.574 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.257 -3.101 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.319 -4.442 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.309 -5.819 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.767 -4.157 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.122 -1.947 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.629 -3.653 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.301 -3.117 -3.055 1.00 0.00 H new ATOM 366 N ILE A 27 0.831 -6.915 -6.542 1.00 0.00 N ATOM 367 CA ILE A 27 1.316 -8.291 -6.550 1.00 0.00 C ATOM 368 C ILE A 27 2.553 -8.464 -5.685 1.00 0.00 C ATOM 369 O ILE A 27 3.135 -7.496 -5.195 1.00 0.00 O ATOM 370 CB ILE A 27 1.563 -8.771 -7.998 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.503 -7.832 -8.750 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.242 -8.896 -8.740 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.320 -8.537 -9.807 1.00 0.00 C ATOM 0 H ILE A 27 1.558 -6.204 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 27 0.540 -8.918 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 27 2.042 -9.749 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.918 -7.040 -9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.175 -7.353 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.428 -9.235 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.396 -9.617 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.254 -7.926 -8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.968 -7.817 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.929 -9.311 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.653 -8.993 -10.539 1.00 0.00 H new ATOM 384 N ASN A 28 2.940 -9.723 -5.510 1.00 0.00 N ATOM 385 CA ASN A 28 4.066 -10.082 -4.681 1.00 0.00 C ATOM 386 C ASN A 28 3.835 -9.560 -3.286 1.00 0.00 C ATOM 387 O ASN A 28 4.719 -8.979 -2.658 1.00 0.00 O ATOM 388 CB ASN A 28 5.394 -9.567 -5.232 1.00 0.00 C ATOM 389 CG ASN A 28 5.637 -9.987 -6.662 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.962 -9.320 -7.582 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.420 -10.897 -6.935 1.00 0.00 N flip ATOM 0 H ASN A 28 2.475 -10.520 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 28 4.140 -11.169 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.410 -8.479 -5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.208 -9.934 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.918 -11.382 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.571 -11.166 -7.907 1.00 0.00 H new ATOM 397 N ILE A 29 2.617 -9.782 -2.811 1.00 0.00 N ATOM 398 CA ILE A 29 2.230 -9.321 -1.504 1.00 0.00 C ATOM 399 C ILE A 29 2.919 -10.143 -0.429 1.00 0.00 C ATOM 400 O ILE A 29 3.058 -11.357 -0.527 1.00 0.00 O ATOM 401 CB ILE A 29 0.685 -9.355 -1.291 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.011 -8.257 -2.131 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.324 -9.189 0.189 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.452 -8.008 -1.791 1.00 0.00 C ATOM 0 H ILE A 29 1.886 -10.280 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 29 2.545 -8.280 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 29 0.320 -10.329 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.564 -7.327 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.085 -8.527 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.759 -9.217 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.771 -9.999 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.703 -8.233 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.845 -7.219 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.023 -8.923 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.536 -7.704 -0.748 1.00 0.00 H new ATOM 415 N GLU A 30 3.309 -9.455 0.610 1.00 0.00 N ATOM 416 CA GLU A 30 3.932 -10.113 1.731 1.00 0.00 C ATOM 417 C GLU A 30 3.398 -9.521 3.004 1.00 0.00 C ATOM 418 O GLU A 30 2.844 -8.435 2.980 1.00 0.00 O ATOM 419 CB GLU A 30 5.454 -10.053 1.640 1.00 0.00 C ATOM 420 CG GLU A 30 6.000 -10.693 0.373 1.00 0.00 C ATOM 421 CD GLU A 30 6.191 -12.190 0.514 1.00 0.00 C ATOM 422 OE1 GLU A 30 6.431 -12.654 1.649 1.00 0.00 O ATOM 423 OE2 GLU A 30 6.101 -12.899 -0.510 1.00 0.00 O ATOM 0 H GLU A 30 3.208 -8.445 0.706 1.00 0.00 H new ATOM 0 HA GLU A 30 3.682 -11.174 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.774 -9.012 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.884 -10.553 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.318 -10.493 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.954 -10.231 0.118 1.00 0.00 H new ATOM 428 N PHE A 31 3.631 -10.182 4.121 1.00 0.00 N ATOM 429 CA PHE A 31 3.086 -9.669 5.368 1.00 0.00 C ATOM 430 C PHE A 31 4.153 -9.116 6.298 1.00 0.00 C ATOM 431 O PHE A 31 4.397 -9.636 7.386 1.00 0.00 O ATOM 432 CB PHE A 31 2.227 -10.746 6.032 1.00 0.00 C ATOM 433 CG PHE A 31 1.130 -11.235 5.115 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.004 -10.453 4.866 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.233 -12.463 4.480 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.991 -10.890 4.011 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.242 -12.902 3.619 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.871 -12.116 3.385 1.00 0.00 C ATOM 0 H PHE A 31 4.172 -11.043 4.196 1.00 0.00 H new ATOM 0 HA PHE A 31 2.451 -8.814 5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.858 -11.586 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.786 -10.347 6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.093 -9.491 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.097 -13.085 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.860 -10.274 3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.338 -13.860 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.645 -12.459 2.714 1.00 0.00 H new ATOM 447 N VAL A 32 4.777 -8.042 5.832 1.00 0.00 N ATOM 448 CA VAL A 32 5.789 -7.326 6.591 1.00 0.00 C ATOM 449 C VAL A 32 5.203 -6.942 7.950 1.00 0.00 C ATOM 450 O VAL A 32 5.910 -6.975 8.957 1.00 0.00 O ATOM 451 CB VAL A 32 6.206 -6.049 5.802 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.093 -6.424 4.628 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.970 -5.295 5.325 1.00 0.00 C ATOM 0 H VAL A 32 4.593 -7.642 4.912 1.00 0.00 H new ATOM 0 HA VAL A 32 6.668 -7.952 6.742 1.00 0.00 H new ATOM 0 HB VAL A 32 6.772 -5.395 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.378 -5.523 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.989 -6.925 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.550 -7.094 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.276 -4.405 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.380 -5.939 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.369 -5.001 6.185 1.00 0.00 H new ATOM 463 N ASP A 33 3.929 -6.580 7.992 1.00 0.00 N ATOM 464 CA ASP A 33 3.261 -6.288 9.257 1.00 0.00 C ATOM 465 C ASP A 33 1.840 -6.849 9.225 1.00 0.00 C ATOM 466 O ASP A 33 1.360 -7.236 8.169 1.00 0.00 O ATOM 467 CB ASP A 33 3.288 -4.798 9.563 1.00 0.00 C ATOM 468 CG ASP A 33 4.157 -4.508 10.771 1.00 0.00 C ATOM 469 OD1 ASP A 33 3.911 -5.115 11.835 1.00 0.00 O ATOM 470 OD2 ASP A 33 5.079 -3.679 10.660 1.00 0.00 O ATOM 0 H ASP A 33 3.336 -6.481 7.168 1.00 0.00 H new ATOM 0 HA ASP A 33 3.799 -6.776 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.666 -4.252 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.274 -4.442 9.746 1.00 0.00 H new ATOM 474 N ASP A 34 1.176 -6.920 10.376 1.00 0.00 N ATOM 475 CA ASP A 34 -0.200 -7.428 10.428 1.00 0.00 C ATOM 476 C ASP A 34 -1.129 -6.509 9.641 1.00 0.00 C ATOM 477 O ASP A 34 -1.916 -6.949 8.802 1.00 0.00 O ATOM 478 CB ASP A 34 -0.673 -7.541 11.879 1.00 0.00 C ATOM 479 CG ASP A 34 -0.079 -8.741 12.589 1.00 0.00 C ATOM 480 OD1 ASP A 34 -0.168 -9.859 12.040 1.00 0.00 O ATOM 481 OD2 ASP A 34 0.475 -8.562 13.694 1.00 0.00 O ATOM 0 H ASP A 34 1.559 -6.637 11.278 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.222 -8.420 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.403 -6.633 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.760 -7.612 11.899 1.00 0.00 H new ATOM 485 N ASP A 35 -1.010 -5.226 9.939 1.00 0.00 N ATOM 486 CA ASP A 35 -1.873 -4.202 9.368 1.00 0.00 C ATOM 487 C ASP A 35 -1.389 -3.635 8.042 1.00 0.00 C ATOM 488 O ASP A 35 -2.195 -3.337 7.162 1.00 0.00 O ATOM 489 CB ASP A 35 -2.015 -3.053 10.367 1.00 0.00 C ATOM 490 CG ASP A 35 -2.739 -3.475 11.631 1.00 0.00 C ATOM 491 OD1 ASP A 35 -3.073 -4.673 11.752 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.973 -2.608 12.499 1.00 0.00 O ATOM 0 H ASP A 35 -0.310 -4.863 10.586 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.825 -4.692 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.026 -2.676 10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.557 -2.232 9.898 1.00 0.00 H new ATOM 496 N TRP A 36 -0.083 -3.482 7.894 1.00 0.00 N ATOM 497 CA TRP A 36 0.464 -3.042 6.621 1.00 0.00 C ATOM 498 C TRP A 36 1.307 -4.155 6.024 1.00 0.00 C ATOM 499 O TRP A 36 2.358 -4.485 6.573 1.00 0.00 O ATOM 500 CB TRP A 36 1.299 -1.778 6.799 1.00 0.00 C ATOM 501 CG TRP A 36 0.442 -0.587 7.028 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.336 -0.372 8.113 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.244 0.531 6.153 1.00 0.00 C ATOM 504 NE1 TRP A 36 -1.007 0.812 7.990 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.669 1.390 6.793 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.749 0.895 4.897 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.089 2.585 6.223 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.328 2.086 4.331 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.583 2.913 4.995 1.00 0.00 C ATOM 0 H TRP A 36 0.607 -3.652 8.625 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.357 -2.808 5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.979 -1.906 7.641 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.915 -1.620 5.914 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.416 -1.041 8.957 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.653 1.202 8.676 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.453 0.259 4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.789 3.232 6.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.708 2.380 3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.895 3.835 4.526 1.00 0.00 H new ATOM 519 N TRP A 37 0.877 -4.751 4.909 1.00 0.00 N ATOM 520 CA TRP A 37 1.603 -5.818 4.243 1.00 0.00 C ATOM 521 C TRP A 37 2.414 -5.176 3.140 1.00 0.00 C ATOM 522 O TRP A 37 2.242 -3.991 2.868 1.00 0.00 O ATOM 523 CB TRP A 37 0.616 -6.864 3.701 1.00 0.00 C ATOM 524 CG TRP A 37 -0.634 -7.010 4.499 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.715 -7.229 5.834 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.978 -6.970 4.012 1.00 0.00 C ATOM 527 NE1 TRP A 37 -2.019 -7.344 6.218 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.819 -7.184 5.118 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.553 -6.775 2.752 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.201 -7.215 5.002 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.928 -6.801 2.640 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.741 -7.020 3.759 1.00 0.00 C ATOM 0 H TRP A 37 0.005 -4.499 4.444 1.00 0.00 H new ATOM 0 HA TRP A 37 2.268 -6.344 4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.349 -6.597 2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.119 -7.830 3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.133 -7.302 6.499 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.345 -7.520 7.168 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.933 -6.607 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.830 -7.387 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.385 -6.650 1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.814 -7.035 3.639 1.00 0.00 H new ATOM 542 N LEU A 38 3.298 -5.924 2.488 1.00 0.00 N ATOM 543 CA LEU A 38 4.113 -5.340 1.449 1.00 0.00 C ATOM 544 C LEU A 38 3.665 -5.787 0.079 1.00 0.00 C ATOM 545 O LEU A 38 3.074 -6.844 -0.084 1.00 0.00 O ATOM 546 CB LEU A 38 5.600 -5.661 1.711 1.00 0.00 C ATOM 547 CG LEU A 38 6.275 -6.620 0.710 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.501 -5.921 -0.619 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.589 -7.146 1.269 1.00 0.00 C ATOM 0 H LEU A 38 3.461 -6.916 2.661 1.00 0.00 H new ATOM 0 HA LEU A 38 3.991 -4.257 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.157 -4.724 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.687 -6.090 2.709 1.00 0.00 H new ATOM 0 HG LEU A 38 5.612 -7.470 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.978 -6.610 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.544 -5.597 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.144 -5.053 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.048 -7.821 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.262 -6.311 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.400 -7.684 2.198 1.00 0.00 H new ATOM 560 N GLY A 39 3.953 -4.937 -0.885 1.00 0.00 N ATOM 561 CA GLY A 39 3.544 -5.277 -2.224 1.00 0.00 C ATOM 562 C GLY A 39 4.587 -5.125 -3.304 1.00 0.00 C ATOM 563 O GLY A 39 5.784 -4.969 -3.064 1.00 0.00 O ATOM 0 H GLY A 39 4.444 -4.050 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.201 -6.312 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.687 -4.657 -2.487 1.00 0.00 H new ATOM 567 N GLU A 40 4.053 -5.174 -4.509 1.00 0.00 N ATOM 568 CA GLU A 40 4.774 -5.007 -5.750 1.00 0.00 C ATOM 569 C GLU A 40 3.690 -4.734 -6.780 1.00 0.00 C ATOM 570 O GLU A 40 2.860 -5.594 -7.009 1.00 0.00 O ATOM 571 CB GLU A 40 5.593 -6.243 -6.090 1.00 0.00 C ATOM 572 CG GLU A 40 6.845 -5.918 -6.876 1.00 0.00 C ATOM 573 CD GLU A 40 7.972 -6.899 -6.614 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.420 -6.991 -5.452 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.405 -7.575 -7.570 1.00 0.00 O ATOM 0 H GLU A 40 3.057 -5.339 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 40 5.503 -4.198 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.870 -6.754 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.977 -6.934 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.611 -5.916 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.178 -4.912 -6.621 1.00 0.00 H new ATOM 580 N LEU A 41 3.665 -3.576 -7.398 1.00 0.00 N ATOM 581 CA LEU A 41 2.583 -3.322 -8.343 1.00 0.00 C ATOM 582 C LEU A 41 2.817 -4.016 -9.669 1.00 0.00 C ATOM 583 O LEU A 41 3.826 -3.823 -10.313 1.00 0.00 O ATOM 584 CB LEU A 41 2.308 -1.826 -8.531 1.00 0.00 C ATOM 585 CG LEU A 41 1.712 -1.110 -7.319 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.638 0.388 -7.572 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.331 -1.665 -7.002 1.00 0.00 C ATOM 0 H LEU A 41 4.342 -2.822 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 41 1.684 -3.753 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.243 -1.333 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.629 -1.702 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 41 2.360 -1.284 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.211 0.884 -6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.640 0.776 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.009 0.579 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.080 -1.145 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.326 -1.518 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.408 -2.730 -6.783 1.00 0.00 H new ATOM 598 N GLU A 42 1.903 -4.885 -10.049 1.00 0.00 N ATOM 599 CA GLU A 42 2.035 -5.592 -11.307 1.00 0.00 C ATOM 600 C GLU A 42 2.143 -4.589 -12.456 1.00 0.00 C ATOM 601 O GLU A 42 2.878 -4.809 -13.419 1.00 0.00 O ATOM 602 CB GLU A 42 0.844 -6.552 -11.485 1.00 0.00 C ATOM 603 CG GLU A 42 0.241 -6.616 -12.886 1.00 0.00 C ATOM 604 CD GLU A 42 -0.402 -7.956 -13.184 1.00 0.00 C ATOM 605 OE1 GLU A 42 0.175 -8.991 -12.788 1.00 0.00 O ATOM 606 OE2 GLU A 42 -1.481 -7.971 -13.812 1.00 0.00 O ATOM 0 H GLU A 42 1.068 -5.118 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 42 2.947 -6.190 -11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.165 -7.555 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.060 -6.260 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.504 -5.828 -12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.020 -6.420 -13.622 1.00 0.00 H new ATOM 611 N LYS A 43 1.401 -3.487 -12.344 1.00 0.00 N ATOM 612 CA LYS A 43 1.397 -2.483 -13.397 1.00 0.00 C ATOM 613 C LYS A 43 2.738 -1.736 -13.517 1.00 0.00 C ATOM 614 O LYS A 43 3.215 -1.514 -14.630 1.00 0.00 O ATOM 615 CB LYS A 43 0.205 -1.515 -13.236 1.00 0.00 C ATOM 616 CG LYS A 43 0.535 -0.179 -12.578 1.00 0.00 C ATOM 617 CD LYS A 43 -0.608 0.322 -11.713 1.00 0.00 C ATOM 618 CE LYS A 43 -0.115 0.700 -10.328 1.00 0.00 C ATOM 619 NZ LYS A 43 1.192 1.411 -10.380 1.00 0.00 N ATOM 0 H LYS A 43 0.804 -3.272 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 43 1.269 -3.014 -14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.220 -1.321 -14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.567 -2.010 -12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.432 -0.286 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.759 0.560 -13.348 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.075 1.186 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.374 -0.450 -11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.855 1.335 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.015 -0.199 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.226 2.131 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.964 0.729 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.300 1.871 -11.306 1.00 0.00 H new ATOM 629 N ASP A 44 3.352 -1.346 -12.395 1.00 0.00 N ATOM 630 CA ASP A 44 4.618 -0.582 -12.467 1.00 0.00 C ATOM 631 C ASP A 44 5.774 -1.201 -11.669 1.00 0.00 C ATOM 632 O ASP A 44 6.915 -0.750 -11.769 1.00 0.00 O ATOM 633 CB ASP A 44 4.402 0.858 -11.997 1.00 0.00 C ATOM 634 CG ASP A 44 5.406 1.820 -12.601 1.00 0.00 C ATOM 635 OD1 ASP A 44 6.593 1.759 -12.217 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.004 2.637 -13.457 1.00 0.00 O ATOM 0 H ASP A 44 3.013 -1.535 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 44 4.910 -0.608 -13.517 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.394 1.176 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.474 0.897 -10.910 1.00 0.00 H new ATOM 640 N GLY A 45 5.478 -2.221 -10.892 1.00 0.00 N ATOM 641 CA GLY A 45 6.513 -2.872 -10.097 1.00 0.00 C ATOM 642 C GLY A 45 6.938 -2.098 -8.858 1.00 0.00 C ATOM 643 O GLY A 45 8.098 -2.177 -8.451 1.00 0.00 O ATOM 0 H GLY A 45 4.544 -2.618 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.154 -3.854 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.388 -3.035 -10.726 1.00 0.00 H new ATOM 647 N SER A 46 6.022 -1.354 -8.251 1.00 0.00 N ATOM 648 CA SER A 46 6.365 -0.589 -7.051 1.00 0.00 C ATOM 649 C SER A 46 6.148 -1.439 -5.802 1.00 0.00 C ATOM 650 O SER A 46 5.124 -2.103 -5.679 1.00 0.00 O ATOM 651 CB SER A 46 5.521 0.685 -6.971 1.00 0.00 C ATOM 652 OG SER A 46 5.337 1.257 -8.254 1.00 0.00 O ATOM 0 H SER A 46 5.054 -1.262 -8.559 1.00 0.00 H new ATOM 0 HA SER A 46 7.417 -0.309 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.551 0.455 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.007 1.406 -6.314 1.00 0.00 H new ATOM 0 HG SER A 46 4.793 2.068 -8.175 1.00 0.00 H new ATOM 657 N LYS A 47 7.081 -1.355 -4.844 1.00 0.00 N ATOM 658 CA LYS A 47 6.982 -2.139 -3.608 1.00 0.00 C ATOM 659 C LYS A 47 6.951 -1.247 -2.375 1.00 0.00 C ATOM 660 O LYS A 47 7.551 -0.172 -2.361 1.00 0.00 O ATOM 661 CB LYS A 47 8.146 -3.121 -3.451 1.00 0.00 C ATOM 662 CG LYS A 47 8.427 -3.937 -4.703 1.00 0.00 C ATOM 663 CD LYS A 47 9.918 -4.046 -4.972 1.00 0.00 C ATOM 664 CE LYS A 47 10.305 -3.339 -6.261 1.00 0.00 C ATOM 665 NZ LYS A 47 10.826 -4.290 -7.282 1.00 0.00 N ATOM 0 H LYS A 47 7.906 -0.757 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 47 6.047 -2.694 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.044 -2.566 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.929 -3.800 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.002 -4.935 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.935 -3.475 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.472 -3.614 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.202 -5.097 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.437 -2.815 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.062 -2.585 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.078 -3.768 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.669 -4.772 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.095 -4.995 -7.505 1.00 0.00 H new ATOM 675 N GLY A 48 6.251 -1.696 -1.339 1.00 0.00 N ATOM 676 CA GLY A 48 6.184 -0.963 -0.089 1.00 0.00 C ATOM 677 C GLY A 48 5.105 -1.492 0.834 1.00 0.00 C ATOM 678 O GLY A 48 4.198 -2.193 0.387 1.00 0.00 O ATOM 0 H GLY A 48 5.722 -2.568 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.149 -1.020 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.995 0.090 -0.298 1.00 0.00 H new ATOM 682 N LEU A 49 5.192 -1.170 2.124 1.00 0.00 N ATOM 683 CA LEU A 49 4.178 -1.625 3.051 1.00 0.00 C ATOM 684 C LEU A 49 2.941 -0.814 2.776 1.00 0.00 C ATOM 685 O LEU A 49 2.977 0.415 2.811 1.00 0.00 O ATOM 686 CB LEU A 49 4.623 -1.464 4.514 1.00 0.00 C ATOM 687 CG LEU A 49 6.096 -1.769 4.806 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.595 -2.909 3.926 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.951 -0.517 4.618 1.00 0.00 C ATOM 0 H LEU A 49 5.938 -0.609 2.536 1.00 0.00 H new ATOM 0 HA LEU A 49 3.992 -2.689 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.416 -0.440 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.008 -2.116 5.134 1.00 0.00 H new ATOM 0 HG LEU A 49 6.183 -2.085 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.643 -3.109 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.005 -3.804 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.495 -2.630 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.994 -0.753 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.860 -0.165 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.610 0.262 5.300 1.00 0.00 H new ATOM 700 N PHE A 50 1.844 -1.484 2.504 1.00 0.00 N ATOM 701 CA PHE A 50 0.613 -0.821 2.161 1.00 0.00 C ATOM 702 C PHE A 50 -0.465 -1.158 3.179 1.00 0.00 C ATOM 703 O PHE A 50 -0.351 -2.138 3.913 1.00 0.00 O ATOM 704 CB PHE A 50 0.203 -1.215 0.731 1.00 0.00 C ATOM 705 CG PHE A 50 -0.141 -2.664 0.554 1.00 0.00 C ATOM 706 CD1 PHE A 50 -1.439 -3.106 0.741 1.00 0.00 C ATOM 707 CD2 PHE A 50 0.831 -3.580 0.184 1.00 0.00 C ATOM 708 CE1 PHE A 50 -1.763 -4.436 0.563 1.00 0.00 C ATOM 709 CE2 PHE A 50 0.512 -4.912 0.006 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.785 -5.339 0.195 1.00 0.00 C ATOM 0 H PHE A 50 1.783 -2.502 2.515 1.00 0.00 H new ATOM 0 HA PHE A 50 0.752 0.260 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.656 -0.613 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.018 -0.963 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.207 -2.403 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.848 -3.249 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.779 -4.770 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.277 -5.618 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.036 -6.380 0.055 1.00 0.00 H new ATOM 719 N PRO A 51 -1.528 -0.354 3.229 1.00 0.00 N ATOM 720 CA PRO A 51 -2.620 -0.532 4.175 1.00 0.00 C ATOM 721 C PRO A 51 -3.467 -1.744 3.868 1.00 0.00 C ATOM 722 O PRO A 51 -3.189 -2.533 2.966 1.00 0.00 O ATOM 723 CB PRO A 51 -3.450 0.737 4.031 1.00 0.00 C ATOM 724 CG PRO A 51 -3.233 1.129 2.628 1.00 0.00 C ATOM 725 CD PRO A 51 -1.802 0.785 2.324 1.00 0.00 C ATOM 0 HA PRO A 51 -2.241 -0.695 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.504 0.553 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.120 1.514 4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.913 0.596 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.418 2.194 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.668 0.509 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.136 1.625 2.521 1.00 0.00 H new ATOM 730 N SER A 52 -4.506 -1.852 4.673 1.00 0.00 N ATOM 731 CA SER A 52 -5.389 -2.985 4.414 1.00 0.00 C ATOM 732 C SER A 52 -6.845 -2.636 4.242 1.00 0.00 C ATOM 733 O SER A 52 -7.617 -3.419 3.689 1.00 0.00 O ATOM 734 CB SER A 52 -5.145 -4.085 5.448 1.00 0.00 C ATOM 735 OG SER A 52 -3.760 -4.340 5.604 1.00 0.00 O ATOM 0 H SER A 52 -4.752 -1.234 5.446 1.00 0.00 H new ATOM 0 HA SER A 52 -5.121 -3.369 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.574 -3.790 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.654 -4.998 5.139 1.00 0.00 H new ATOM 0 HG SER A 52 -3.534 -5.193 5.177 1.00 0.00 H new ATOM 740 N ASN A 53 -7.228 -1.461 4.710 1.00 0.00 N ATOM 741 CA ASN A 53 -8.585 -0.995 4.556 1.00 0.00 C ATOM 742 C ASN A 53 -8.730 -0.132 3.294 1.00 0.00 C ATOM 743 O ASN A 53 -9.840 0.057 2.794 1.00 0.00 O ATOM 744 CB ASN A 53 -9.051 -0.256 5.817 1.00 0.00 C ATOM 745 CG ASN A 53 -7.974 0.613 6.430 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.408 1.500 5.628 1.00 0.00 O flip ATOM 747 ND2 ASN A 53 -7.657 0.487 7.612 1.00 0.00 N flip ATOM 0 H ASN A 53 -6.612 -0.813 5.201 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.236 -1.860 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.912 0.364 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.385 -0.985 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.121 -0.211 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.930 1.081 8.011 1.00 0.00 H new ATOM 753 N TYR A 54 -7.595 0.399 2.773 1.00 0.00 N ATOM 754 CA TYR A 54 -7.608 1.198 1.540 1.00 0.00 C ATOM 755 C TYR A 54 -7.575 0.259 0.313 1.00 0.00 C ATOM 756 O TYR A 54 -7.798 0.691 -0.818 1.00 0.00 O ATOM 757 CB TYR A 54 -6.400 2.146 1.432 1.00 0.00 C ATOM 758 CG TYR A 54 -6.602 3.578 1.845 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.782 3.900 3.175 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.511 4.616 0.918 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.885 5.209 3.576 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.599 5.929 1.315 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.790 6.222 2.641 1.00 0.00 C ATOM 764 OH TYR A 54 -6.872 7.534 3.035 1.00 0.00 O ATOM 0 H TYR A 54 -6.671 0.285 3.190 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.519 1.796 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.593 1.732 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.059 2.139 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.843 3.111 3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.369 4.385 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.040 5.446 4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.518 6.724 0.588 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.785 8.117 2.252 1.00 0.00 H new ATOM 773 N VAL A 55 -7.290 -1.042 0.562 1.00 0.00 N ATOM 774 CA VAL A 55 -7.164 -2.035 -0.515 1.00 0.00 C ATOM 775 C VAL A 55 -7.730 -3.404 -0.135 1.00 0.00 C ATOM 776 O VAL A 55 -7.851 -3.739 1.043 1.00 0.00 O ATOM 777 CB VAL A 55 -5.690 -2.306 -0.897 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.996 -1.025 -1.325 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.942 -2.981 0.246 1.00 0.00 C ATOM 0 H VAL A 55 -7.145 -1.420 1.498 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.722 -1.591 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.684 -2.989 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.961 -1.242 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.510 -0.604 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.019 -0.307 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.908 -3.159 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.961 -2.336 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.421 -3.931 0.483 1.00 0.00 H new ATOM 789 N SER A 56 -8.068 -4.182 -1.152 1.00 0.00 N ATOM 790 CA SER A 56 -8.594 -5.527 -0.974 1.00 0.00 C ATOM 791 C SER A 56 -7.620 -6.562 -1.549 1.00 0.00 C ATOM 792 O SER A 56 -7.055 -6.358 -2.620 1.00 0.00 O ATOM 793 CB SER A 56 -9.934 -5.640 -1.679 1.00 0.00 C ATOM 794 OG SER A 56 -10.851 -6.417 -0.927 1.00 0.00 O ATOM 0 H SER A 56 -7.985 -3.897 -2.128 1.00 0.00 H new ATOM 0 HA SER A 56 -8.721 -5.721 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.346 -4.644 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.793 -6.091 -2.661 1.00 0.00 H new ATOM 0 HG SER A 56 -11.704 -6.470 -1.406 1.00 0.00 H new ATOM 799 N LEU A 57 -7.459 -7.687 -0.846 1.00 0.00 N ATOM 800 CA LEU A 57 -6.545 -8.735 -1.312 1.00 0.00 C ATOM 801 C LEU A 57 -7.221 -9.627 -2.342 1.00 0.00 C ATOM 802 O LEU A 57 -8.331 -10.114 -2.132 1.00 0.00 O ATOM 803 CB LEU A 57 -6.047 -9.603 -0.154 1.00 0.00 C ATOM 804 CG LEU A 57 -5.126 -8.910 0.852 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.816 -9.834 2.021 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.835 -8.467 0.180 1.00 0.00 C ATOM 0 H LEU A 57 -7.938 -7.894 0.030 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.693 -8.231 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.913 -9.991 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.519 -10.461 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.642 -8.028 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.160 -9.322 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.743 -10.109 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.322 -10.733 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.194 -7.976 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.320 -9.337 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.065 -7.770 -0.626 1.00 0.00 H new ATOM 817 N GLY A 58 -6.536 -9.830 -3.454 1.00 0.00 N ATOM 818 CA GLY A 58 -7.070 -10.645 -4.522 1.00 0.00 C ATOM 819 C GLY A 58 -6.871 -12.135 -4.287 1.00 0.00 C ATOM 820 O GLY A 58 -7.214 -12.946 -5.145 1.00 0.00 O ATOM 0 H GLY A 58 -5.611 -9.441 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.135 -10.439 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.592 -10.363 -5.460 1.00 0.00 H new ATOM 824 N ASN A 59 -6.336 -12.490 -3.113 1.00 0.00 N ATOM 825 CA ASN A 59 -6.081 -13.887 -2.753 1.00 0.00 C ATOM 826 C ASN A 59 -5.232 -13.968 -1.488 1.00 0.00 C ATOM 827 O ASN A 59 -5.576 -14.688 -0.553 1.00 0.00 O ATOM 828 CB ASN A 59 -5.390 -14.655 -3.889 1.00 0.00 C ATOM 829 CG ASN A 59 -4.043 -14.075 -4.270 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.758 -12.905 -4.010 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.207 -14.899 -4.893 1.00 0.00 N ATOM 0 H ASN A 59 -6.070 -11.821 -2.391 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.050 -14.353 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.259 -15.694 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.039 -14.656 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.284 -14.570 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.488 -15.860 -5.087 1.00 0.00 H new