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+ -117:sc= 0.0763 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -61:sc= 0.561 USER MOD Single : A 16 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.936 F(o=-1.8,f=-0.94) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= 1.35 (180deg=-1.21!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.71! C(o=-8.5!,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -1.58! (180deg=-3.93!) 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 180:sc= -0.634 USER MOD Single : A 53 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.5!) 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= 0.00316 K(o=0.0032,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.298 -14.056 -4.704 1.00 0.00 N ATOM 2 CA ALA A 1 3.487 -13.768 -3.493 1.00 0.00 C ATOM 3 C ALA A 1 2.079 -13.307 -3.874 1.00 0.00 C ATOM 4 O ALA A 1 1.818 -12.976 -5.030 1.00 0.00 O ATOM 5 CB ALA A 1 4.181 -12.718 -2.633 1.00 0.00 C ATOM 0 H1 ALA A 1 4.558 -15.063 -4.716 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.744 -13.831 -5.555 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.161 -13.476 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 1 3.394 -14.688 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.577 -12.515 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.160 -13.087 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.303 -11.800 -3.207 1.00 0.00 H new ATOM 13 N PRO A 2 1.152 -13.283 -2.898 1.00 0.00 N ATOM 14 CA PRO A 2 -0.244 -12.866 -3.124 1.00 0.00 C ATOM 15 C PRO A 2 -0.347 -11.489 -3.775 1.00 0.00 C ATOM 16 O PRO A 2 0.623 -10.741 -3.844 1.00 0.00 O ATOM 17 CB PRO A 2 -0.856 -12.930 -1.703 1.00 0.00 C ATOM 18 CG PRO A 2 0.308 -12.900 -0.778 1.00 0.00 C ATOM 19 CD PRO A 2 1.388 -13.651 -1.491 1.00 0.00 C ATOM 0 HA PRO A 2 -0.776 -13.501 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.524 -12.088 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.444 -13.838 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.615 -11.876 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.066 -13.368 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.381 -13.353 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.307 -14.726 -1.333 1.00 0.00 H new ATOM 24 N TRP A 3 -1.527 -11.188 -4.284 1.00 0.00 N ATOM 25 CA TRP A 3 -1.777 -9.934 -4.984 1.00 0.00 C ATOM 26 C TRP A 3 -3.032 -9.267 -4.441 1.00 0.00 C ATOM 27 O TRP A 3 -3.952 -9.931 -3.964 1.00 0.00 O ATOM 28 CB TRP A 3 -1.911 -10.234 -6.479 1.00 0.00 C ATOM 29 CG TRP A 3 -3.178 -10.922 -6.810 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.455 -12.256 -6.775 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.351 -10.270 -7.214 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.762 -12.463 -7.145 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.336 -11.244 -7.425 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.649 -8.939 -7.417 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.622 -10.907 -7.838 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.898 -8.599 -7.820 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.886 -9.573 -8.033 1.00 0.00 C ATOM 0 H TRP A 3 -2.340 -11.802 -4.226 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.948 -9.243 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.851 -9.301 -7.040 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.072 -10.852 -6.798 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.755 -13.031 -6.499 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.228 -13.368 -7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.899 -8.179 -7.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.379 -11.661 -7.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.138 -7.558 -7.980 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.871 -9.268 -8.356 1.00 0.00 H new ATOM 47 N ALA A 4 -3.055 -7.936 -4.525 1.00 0.00 N ATOM 48 CA ALA A 4 -4.193 -7.187 -4.031 1.00 0.00 C ATOM 49 C ALA A 4 -4.589 -6.054 -4.957 1.00 0.00 C ATOM 50 O ALA A 4 -3.794 -5.578 -5.759 1.00 0.00 O ATOM 51 CB ALA A 4 -3.940 -6.617 -2.646 1.00 0.00 C ATOM 0 H ALA A 4 -2.308 -7.369 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.012 -7.905 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.818 -6.063 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.739 -7.431 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.080 -5.948 -2.680 1.00 0.00 H new ATOM 57 N THR A 5 -5.822 -5.634 -4.827 1.00 0.00 N ATOM 58 CA THR A 5 -6.349 -4.544 -5.616 1.00 0.00 C ATOM 59 C THR A 5 -6.706 -3.389 -4.713 1.00 0.00 C ATOM 60 O THR A 5 -7.072 -3.587 -3.555 1.00 0.00 O ATOM 61 CB THR A 5 -7.607 -4.960 -6.398 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.500 -6.329 -6.807 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.801 -4.076 -7.619 1.00 0.00 C ATOM 0 H THR A 5 -6.491 -6.037 -4.171 1.00 0.00 H new ATOM 0 HA THR A 5 -5.577 -4.254 -6.328 1.00 0.00 H new ATOM 0 HB THR A 5 -8.470 -4.843 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.305 -6.586 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.696 -4.389 -8.156 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.911 -3.039 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.935 -4.166 -8.274 1.00 0.00 H new ATOM 71 N ALA A 6 -6.602 -2.179 -5.238 1.00 0.00 N ATOM 72 CA ALA A 6 -6.919 -0.993 -4.471 1.00 0.00 C ATOM 73 C ALA A 6 -8.397 -0.685 -4.584 1.00 0.00 C ATOM 74 O ALA A 6 -8.985 -0.766 -5.663 1.00 0.00 O ATOM 75 CB ALA A 6 -6.091 0.193 -4.943 1.00 0.00 C ATOM 0 H ALA A 6 -6.300 -1.996 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.675 -1.180 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.346 1.073 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.031 -0.031 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.302 0.388 -5.994 1.00 0.00 H new ATOM 81 N GLU A 7 -8.987 -0.331 -3.459 1.00 0.00 N ATOM 82 CA GLU A 7 -10.391 0.017 -3.408 1.00 0.00 C ATOM 83 C GLU A 7 -10.577 1.507 -3.126 1.00 0.00 C ATOM 84 O GLU A 7 -11.691 2.029 -3.169 1.00 0.00 O ATOM 85 CB GLU A 7 -11.111 -0.786 -2.323 1.00 0.00 C ATOM 86 CG GLU A 7 -10.823 -2.277 -2.388 1.00 0.00 C ATOM 87 CD GLU A 7 -11.904 -3.048 -3.122 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.772 -2.405 -3.748 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.883 -4.297 -3.069 1.00 0.00 O ATOM 0 H GLU A 7 -8.509 -0.277 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.819 -0.221 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.815 -0.408 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.185 -0.626 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.866 -2.437 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.726 -2.669 -1.376 1.00 0.00 H new ATOM 94 N TYR A 8 -9.458 2.186 -2.835 1.00 0.00 N ATOM 95 CA TYR A 8 -9.429 3.612 -2.556 1.00 0.00 C ATOM 96 C TYR A 8 -8.121 4.207 -3.058 1.00 0.00 C ATOM 97 O TYR A 8 -7.067 3.582 -2.935 1.00 0.00 O ATOM 98 CB TYR A 8 -9.552 3.812 -1.059 1.00 0.00 C ATOM 99 CG TYR A 8 -10.746 3.105 -0.504 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.978 3.724 -0.481 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.647 1.812 -0.032 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.087 3.076 0.005 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.745 1.149 0.453 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.971 1.782 0.472 1.00 0.00 C ATOM 105 OH TYR A 8 -14.079 1.123 0.956 1.00 0.00 O ATOM 0 H TYR A 8 -8.539 1.745 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.255 4.111 -3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.651 3.445 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.625 4.877 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.072 4.734 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.689 1.314 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.044 3.576 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.651 0.137 0.818 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.824 0.221 1.243 1.00 0.00 H new ATOM 114 N ASP A 9 -8.177 5.400 -3.619 1.00 0.00 N ATOM 115 CA ASP A 9 -7.009 6.095 -4.163 1.00 0.00 C ATOM 116 C ASP A 9 -6.043 6.467 -3.042 1.00 0.00 C ATOM 117 O ASP A 9 -6.148 7.547 -2.467 1.00 0.00 O ATOM 118 CB ASP A 9 -7.510 7.356 -4.867 1.00 0.00 C ATOM 119 CG ASP A 9 -8.441 7.043 -6.021 1.00 0.00 C ATOM 120 OD1 ASP A 9 -9.304 6.153 -5.863 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.310 7.687 -7.082 1.00 0.00 O ATOM 0 H ASP A 9 -9.045 5.928 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.475 5.452 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.029 7.989 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.657 7.926 -5.236 1.00 0.00 H new ATOM 125 N TYR A 10 -5.093 5.581 -2.733 1.00 0.00 N ATOM 126 CA TYR A 10 -4.157 5.848 -1.640 1.00 0.00 C ATOM 127 C TYR A 10 -2.984 6.731 -2.062 1.00 0.00 C ATOM 128 O TYR A 10 -2.344 6.509 -3.090 1.00 0.00 O ATOM 129 CB TYR A 10 -3.605 4.560 -1.010 1.00 0.00 C ATOM 130 CG TYR A 10 -3.103 4.791 0.412 1.00 0.00 C ATOM 131 CD1 TYR A 10 -2.199 5.790 0.674 1.00 0.00 C ATOM 132 CD2 TYR A 10 -3.570 4.063 1.486 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.760 6.071 1.935 1.00 0.00 C ATOM 134 CE2 TYR A 10 -3.145 4.337 2.779 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.236 5.354 2.992 1.00 0.00 C ATOM 136 OH TYR A 10 -1.790 5.647 4.255 1.00 0.00 O ATOM 0 H TYR A 10 -4.953 4.692 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.748 6.384 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.384 3.798 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.791 4.176 -1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.820 6.377 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.279 3.266 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.038 6.858 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.522 3.760 3.610 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.820 5.512 4.299 1.00 0.00 H new ATOM 145 N ASP A 11 -2.729 7.737 -1.231 1.00 0.00 N ATOM 146 CA ASP A 11 -1.594 8.627 -1.448 1.00 0.00 C ATOM 147 C ASP A 11 -0.569 8.559 -0.266 1.00 0.00 C ATOM 148 O ASP A 11 -0.386 9.543 0.449 1.00 0.00 O ATOM 149 CB ASP A 11 -2.177 10.034 -1.578 1.00 0.00 C ATOM 150 CG ASP A 11 -1.148 11.146 -1.466 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.025 10.969 -1.986 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.463 12.190 -0.859 1.00 0.00 O ATOM 0 H ASP A 11 -3.289 7.955 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.042 8.336 -2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.683 10.118 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.933 10.175 -0.806 1.00 0.00 H new ATOM 156 N ALA A 12 0.072 7.378 -0.065 1.00 0.00 N ATOM 157 CA ALA A 12 1.092 7.133 0.983 1.00 0.00 C ATOM 158 C ALA A 12 1.158 8.215 2.063 1.00 0.00 C ATOM 159 O ALA A 12 1.699 9.295 1.831 1.00 0.00 O ATOM 160 CB ALA A 12 2.442 6.965 0.315 1.00 0.00 C ATOM 0 H ALA A 12 -0.111 6.555 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 12 0.799 6.225 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.203 6.784 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.405 6.119 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.689 7.871 -0.238 1.00 0.00 H new ATOM 166 N ALA A 13 0.607 7.925 3.246 1.00 0.00 N ATOM 167 CA ALA A 13 0.561 8.854 4.373 1.00 0.00 C ATOM 168 C ALA A 13 1.904 9.001 5.141 1.00 0.00 C ATOM 169 O ALA A 13 2.138 10.050 5.740 1.00 0.00 O ATOM 170 CB ALA A 13 -0.501 8.390 5.336 1.00 0.00 C ATOM 0 H ALA A 13 0.175 7.024 3.448 1.00 0.00 H new ATOM 0 HA ALA A 13 0.340 9.836 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.548 9.074 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.467 8.371 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.258 7.388 5.691 1.00 0.00 H new ATOM 176 N GLU A 14 2.781 7.992 5.140 1.00 0.00 N ATOM 177 CA GLU A 14 4.037 8.080 5.934 1.00 0.00 C ATOM 178 C GLU A 14 5.372 8.180 5.166 1.00 0.00 C ATOM 179 O GLU A 14 6.416 8.300 5.805 1.00 0.00 O ATOM 180 CB GLU A 14 4.174 6.849 6.837 1.00 0.00 C ATOM 181 CG GLU A 14 3.515 7.021 8.196 1.00 0.00 C ATOM 182 CD GLU A 14 4.156 8.121 9.018 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.336 8.443 8.762 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.479 8.663 9.916 1.00 0.00 O ATOM 0 H GLU A 14 2.662 7.124 4.618 1.00 0.00 H new ATOM 0 HA GLU A 14 3.906 9.026 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.734 5.988 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.232 6.628 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.457 7.245 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.572 6.081 8.745 1.00 0.00 H new ATOM 189 N ASP A 15 5.346 8.113 3.842 1.00 0.00 N ATOM 190 CA ASP A 15 6.558 8.224 2.994 1.00 0.00 C ATOM 191 C ASP A 15 6.932 6.835 2.514 1.00 0.00 C ATOM 192 O ASP A 15 6.857 6.574 1.311 1.00 0.00 O ATOM 193 CB ASP A 15 7.736 8.938 3.674 1.00 0.00 C ATOM 194 CG ASP A 15 8.838 9.294 2.695 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.722 10.342 2.026 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.818 8.524 2.597 1.00 0.00 O ATOM 0 H ASP A 15 4.487 7.980 3.309 1.00 0.00 H new ATOM 0 HA ASP A 15 6.319 8.864 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.377 9.846 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.142 8.298 4.457 1.00 0.00 H new ATOM 200 N ASN A 16 7.338 5.923 3.418 1.00 0.00 N ATOM 201 CA ASN A 16 7.664 4.608 2.883 1.00 0.00 C ATOM 202 C ASN A 16 6.431 3.728 2.957 1.00 0.00 C ATOM 203 O ASN A 16 6.417 2.681 3.608 1.00 0.00 O ATOM 204 CB ASN A 16 8.651 4.051 3.919 1.00 0.00 C ATOM 205 CG ASN A 16 9.712 3.171 3.298 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.639 2.821 2.121 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.708 2.809 4.095 1.00 0.00 N ATOM 0 H ASN A 16 7.439 6.057 4.424 1.00 0.00 H new ATOM 0 HA ASN A 16 8.034 4.646 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.131 4.879 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.102 3.479 4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.457 2.215 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.726 3.124 5.065 1.00 0.00 H new ATOM 213 N GLU A 17 5.404 4.152 2.274 1.00 0.00 N ATOM 214 CA GLU A 17 4.255 3.365 1.975 1.00 0.00 C ATOM 215 C GLU A 17 4.264 3.199 0.468 1.00 0.00 C ATOM 216 O GLU A 17 5.007 3.906 -0.214 1.00 0.00 O ATOM 217 CB GLU A 17 2.993 4.075 2.449 1.00 0.00 C ATOM 218 CG GLU A 17 1.734 3.286 2.169 1.00 0.00 C ATOM 219 CD GLU A 17 0.470 4.065 2.429 1.00 0.00 C ATOM 220 OE1 GLU A 17 0.500 5.010 3.245 1.00 0.00 O ATOM 221 OE2 GLU A 17 -0.557 3.715 1.812 1.00 0.00 O ATOM 0 H GLU A 17 5.349 5.098 1.897 1.00 0.00 H new ATOM 0 HA GLU A 17 4.272 2.398 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.068 4.262 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.923 5.047 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.743 2.958 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.732 2.388 2.786 1.00 0.00 H new ATOM 226 N LEU A 18 3.481 2.307 -0.075 1.00 0.00 N ATOM 227 CA LEU A 18 3.357 2.222 -1.508 1.00 0.00 C ATOM 228 C LEU A 18 2.203 3.158 -1.823 1.00 0.00 C ATOM 229 O LEU A 18 1.524 3.635 -0.915 1.00 0.00 O ATOM 230 CB LEU A 18 3.031 0.795 -1.921 1.00 0.00 C ATOM 231 CG LEU A 18 2.726 0.599 -3.397 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.867 1.112 -4.260 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.474 -0.866 -3.660 1.00 0.00 C ATOM 0 H LEU A 18 2.922 1.632 0.447 1.00 0.00 H new ATOM 0 HA LEU A 18 4.270 2.492 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.872 0.156 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.173 0.454 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 18 1.835 1.171 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.624 0.960 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.016 2.175 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.780 0.569 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.255 -1.013 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.359 -1.442 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.626 -1.202 -3.063 1.00 0.00 H new ATOM 244 N THR A 19 1.959 3.438 -3.086 1.00 0.00 N ATOM 245 CA THR A 19 0.906 4.372 -3.434 1.00 0.00 C ATOM 246 C THR A 19 0.160 3.890 -4.643 1.00 0.00 C ATOM 247 O THR A 19 0.770 3.520 -5.647 1.00 0.00 O ATOM 248 CB THR A 19 1.491 5.763 -3.719 1.00 0.00 C ATOM 249 OG1 THR A 19 2.916 5.741 -3.566 1.00 0.00 O ATOM 250 CG2 THR A 19 0.889 6.776 -2.770 1.00 0.00 C ATOM 0 H THR A 19 2.465 3.041 -3.878 1.00 0.00 H new ATOM 0 HA THR A 19 0.220 4.439 -2.589 1.00 0.00 H new ATOM 0 HB THR A 19 1.251 6.044 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.279 6.632 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.307 7.761 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.192 6.805 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.117 6.493 -1.743 1.00 0.00 H new ATOM 258 N PHE A 20 -1.151 3.887 -4.566 1.00 0.00 N ATOM 259 CA PHE A 20 -1.933 3.374 -5.674 1.00 0.00 C ATOM 260 C PHE A 20 -3.302 4.027 -5.781 1.00 0.00 C ATOM 261 O PHE A 20 -3.782 4.695 -4.865 1.00 0.00 O ATOM 262 CB PHE A 20 -2.045 1.849 -5.555 1.00 0.00 C ATOM 263 CG PHE A 20 -2.093 1.410 -4.123 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.233 1.623 -3.372 1.00 0.00 C ATOM 265 CD2 PHE A 20 -0.984 0.846 -3.516 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.274 1.275 -2.040 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.015 0.504 -2.179 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.163 0.719 -1.441 1.00 0.00 C ATOM 0 H PHE A 20 -1.691 4.225 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.413 3.627 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.943 1.508 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.195 1.381 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.102 2.067 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.088 0.672 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.174 1.437 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.144 0.069 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.190 0.452 -0.395 1.00 0.00 H new ATOM 277 N VAL A 21 -3.907 3.807 -6.931 1.00 0.00 N ATOM 278 CA VAL A 21 -5.228 4.328 -7.239 1.00 0.00 C ATOM 279 C VAL A 21 -6.149 3.174 -7.549 1.00 0.00 C ATOM 280 O VAL A 21 -5.744 2.250 -8.249 1.00 0.00 O ATOM 281 CB VAL A 21 -5.196 5.302 -8.423 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.802 6.693 -7.953 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.242 4.795 -9.485 1.00 0.00 C ATOM 0 H VAL A 21 -3.494 3.258 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.590 4.881 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.193 5.365 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.784 7.373 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.527 7.048 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.813 6.656 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.225 5.493 -10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.240 4.710 -9.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.573 3.817 -9.834 1.00 0.00 H new ATOM 293 N GLU A 22 -7.374 3.213 -7.015 1.00 0.00 N ATOM 294 CA GLU A 22 -8.364 2.151 -7.194 1.00 0.00 C ATOM 295 C GLU A 22 -8.179 1.338 -8.466 1.00 0.00 C ATOM 296 O GLU A 22 -7.726 1.832 -9.498 1.00 0.00 O ATOM 297 CB GLU A 22 -9.778 2.722 -7.189 1.00 0.00 C ATOM 298 CG GLU A 22 -10.115 3.546 -8.420 1.00 0.00 C ATOM 299 CD GLU A 22 -9.825 5.022 -8.233 1.00 0.00 C ATOM 300 OE1 GLU A 22 -8.662 5.428 -8.439 1.00 0.00 O ATOM 301 OE2 GLU A 22 -10.759 5.770 -7.878 1.00 0.00 O ATOM 0 H GLU A 22 -7.707 3.989 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.211 1.479 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.490 1.901 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.905 3.343 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.544 3.172 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.170 3.415 -8.662 1.00 0.00 H new ATOM 306 N ASN A 23 -8.592 0.091 -8.368 1.00 0.00 N ATOM 307 CA ASN A 23 -8.443 -0.807 -9.497 1.00 0.00 C ATOM 308 C ASN A 23 -6.956 -1.054 -9.797 1.00 0.00 C ATOM 309 O ASN A 23 -6.621 -1.697 -10.793 1.00 0.00 O ATOM 310 CB ASN A 23 -9.155 -0.251 -10.735 1.00 0.00 C ATOM 311 CG ASN A 23 -10.402 0.543 -10.393 1.00 0.00 C ATOM 312 OD1 ASN A 23 -10.487 1.762 -10.912 1.00 0.00 O flip ATOM 313 ND2 ASN A 23 -11.278 0.065 -9.673 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.024 -0.318 -7.539 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.907 -1.759 -9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.465 0.386 -11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.425 -1.076 -11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.171 -0.877 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.112 0.610 -9.453 1.00 0.00 H new ATOM 319 N ASP A 24 -6.060 -0.542 -8.929 1.00 0.00 N ATOM 320 CA ASP A 24 -4.623 -0.728 -9.113 1.00 0.00 C ATOM 321 C ASP A 24 -4.260 -2.113 -8.620 1.00 0.00 C ATOM 322 O ASP A 24 -4.631 -2.522 -7.521 1.00 0.00 O ATOM 323 CB ASP A 24 -3.824 0.367 -8.365 1.00 0.00 C ATOM 324 CG ASP A 24 -2.477 -0.091 -7.831 1.00 0.00 C ATOM 325 OD1 ASP A 24 -2.453 -1.008 -6.983 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.455 0.470 -8.260 1.00 0.00 O ATOM 0 H ASP A 24 -6.313 -0.001 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.366 -0.638 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.666 1.209 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.425 0.733 -7.533 1.00 0.00 H new ATOM 330 N LYS A 25 -3.522 -2.824 -9.454 1.00 0.00 N ATOM 331 CA LYS A 25 -3.111 -4.152 -9.127 1.00 0.00 C ATOM 332 C LYS A 25 -1.878 -4.143 -8.233 1.00 0.00 C ATOM 333 O LYS A 25 -0.952 -3.359 -8.435 1.00 0.00 O ATOM 334 CB LYS A 25 -2.821 -4.903 -10.412 1.00 0.00 C ATOM 335 CG LYS A 25 -2.282 -6.278 -10.163 1.00 0.00 C ATOM 336 CD LYS A 25 -3.382 -7.210 -9.701 1.00 0.00 C ATOM 337 CE LYS A 25 -3.872 -8.033 -10.863 1.00 0.00 C ATOM 338 NZ LYS A 25 -5.040 -8.888 -10.522 1.00 0.00 N ATOM 0 H LYS A 25 -3.201 -2.491 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.912 -4.647 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.735 -4.976 -11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.103 -4.337 -11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.829 -6.667 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.495 -6.234 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.011 -7.863 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.205 -6.635 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.144 -7.368 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.059 -8.665 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.953 -9.804 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.069 -9.042 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.916 -8.417 -10.826 1.00 0.00 H new ATOM 348 N ILE A 26 -1.880 -5.030 -7.249 1.00 0.00 N ATOM 349 CA ILE A 26 -0.763 -5.175 -6.331 1.00 0.00 C ATOM 350 C ILE A 26 -0.346 -6.639 -6.320 1.00 0.00 C ATOM 351 O ILE A 26 -1.170 -7.527 -6.139 1.00 0.00 O ATOM 352 CB ILE A 26 -1.153 -4.752 -4.900 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.723 -3.333 -4.895 1.00 0.00 C ATOM 354 CG2 ILE A 26 0.050 -4.849 -3.974 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.842 -3.136 -3.894 1.00 0.00 C ATOM 0 H ILE A 26 -2.655 -5.668 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 26 0.053 -4.533 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.925 -5.431 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.921 -2.628 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.092 -3.095 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.240 -4.547 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.412 -5.877 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.841 -4.192 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.199 -2.107 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.662 -3.816 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.472 -3.343 -2.890 1.00 0.00 H new ATOM 366 N ILE A 27 0.935 -6.869 -6.494 1.00 0.00 N ATOM 367 CA ILE A 27 1.443 -8.231 -6.557 1.00 0.00 C ATOM 368 C ILE A 27 2.681 -8.396 -5.695 1.00 0.00 C ATOM 369 O ILE A 27 3.243 -7.426 -5.186 1.00 0.00 O ATOM 370 CB ILE A 27 1.688 -8.654 -8.022 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.624 -7.683 -8.735 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.363 -8.754 -8.768 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.466 -8.350 -9.797 1.00 0.00 C ATOM 0 H ILE A 27 1.643 -6.142 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 27 0.686 -8.901 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 27 2.168 -9.632 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.035 -6.888 -9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.279 -7.213 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.548 -9.053 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.272 -9.496 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.136 -7.785 -8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.111 -7.609 -10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.079 -9.127 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.816 -8.797 -10.549 1.00 0.00 H new ATOM 384 N ASN A 28 3.095 -9.645 -5.542 1.00 0.00 N ATOM 385 CA ASN A 28 4.221 -9.985 -4.710 1.00 0.00 C ATOM 386 C ASN A 28 3.953 -9.503 -3.305 1.00 0.00 C ATOM 387 O ASN A 28 4.816 -8.926 -2.643 1.00 0.00 O ATOM 388 CB ASN A 28 5.542 -9.418 -5.230 1.00 0.00 C ATOM 389 CG ASN A 28 5.820 -9.795 -6.670 1.00 0.00 C ATOM 390 OD1 ASN A 28 5.128 -9.140 -7.586 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.648 -10.664 -6.951 1.00 0.00 N flip ATOM 0 H ASN A 28 2.654 -10.446 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 28 4.332 -11.069 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.525 -8.332 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.358 -9.777 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.158 -11.142 -6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.823 -10.905 -7.927 1.00 0.00 H new ATOM 397 N ILE A 29 2.725 -9.758 -2.862 1.00 0.00 N ATOM 398 CA ILE A 29 2.301 -9.331 -1.553 1.00 0.00 C ATOM 399 C ILE A 29 2.983 -10.162 -0.485 1.00 0.00 C ATOM 400 O ILE A 29 3.155 -11.369 -0.608 1.00 0.00 O ATOM 401 CB ILE A 29 0.755 -9.395 -1.370 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.095 -8.269 -2.185 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.367 -9.288 0.111 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.358 -7.987 -1.826 1.00 0.00 C ATOM 0 H ILE A 29 2.015 -10.258 -3.397 1.00 0.00 H new ATOM 0 HA ILE A 29 2.593 -8.286 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 29 0.400 -10.359 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.672 -7.355 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.150 -8.525 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.718 -9.336 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.817 -10.112 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.726 -8.341 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.737 -7.179 -2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.954 -8.884 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.424 -7.695 -0.778 1.00 0.00 H new ATOM 415 N GLU A 30 3.321 -9.493 0.581 1.00 0.00 N ATOM 416 CA GLU A 30 3.930 -10.166 1.697 1.00 0.00 C ATOM 417 C GLU A 30 3.355 -9.620 2.973 1.00 0.00 C ATOM 418 O GLU A 30 2.752 -8.559 2.953 1.00 0.00 O ATOM 419 CB GLU A 30 5.457 -10.070 1.647 1.00 0.00 C ATOM 420 CG GLU A 30 6.032 -10.182 0.239 1.00 0.00 C ATOM 421 CD GLU A 30 7.328 -10.968 0.203 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.351 -12.100 0.730 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.322 -10.451 -0.352 1.00 0.00 O ATOM 0 H GLU A 30 3.187 -8.489 0.702 1.00 0.00 H new ATOM 0 HA GLU A 30 3.702 -11.231 1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.767 -9.120 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.882 -10.859 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.301 -10.662 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.206 -9.183 -0.160 1.00 0.00 H new ATOM 428 N PHE A 31 3.583 -10.291 4.085 1.00 0.00 N ATOM 429 CA PHE A 31 3.009 -9.808 5.329 1.00 0.00 C ATOM 430 C PHE A 31 4.068 -9.352 6.308 1.00 0.00 C ATOM 431 O PHE A 31 4.237 -9.914 7.390 1.00 0.00 O ATOM 432 CB PHE A 31 2.083 -10.868 5.926 1.00 0.00 C ATOM 433 CG PHE A 31 0.972 -11.253 4.981 1.00 0.00 C ATOM 434 CD1 PHE A 31 -0.176 -10.474 4.866 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.084 -12.385 4.189 1.00 0.00 C ATOM 436 CE1 PHE A 31 -1.182 -10.821 3.983 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.079 -12.738 3.307 1.00 0.00 C ATOM 438 CZ PHE A 31 -1.054 -11.955 3.203 1.00 0.00 C ATOM 0 H PHE A 31 4.141 -11.142 4.157 1.00 0.00 H new ATOM 0 HA PHE A 31 2.411 -8.924 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.665 -11.754 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.654 -10.491 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.282 -9.588 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.969 -13.000 4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.067 -10.207 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.180 -13.625 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.839 -12.228 2.513 1.00 0.00 H new ATOM 447 N VAL A 32 4.780 -8.312 5.896 1.00 0.00 N ATOM 448 CA VAL A 32 5.809 -7.695 6.708 1.00 0.00 C ATOM 449 C VAL A 32 5.204 -7.319 8.059 1.00 0.00 C ATOM 450 O VAL A 32 5.879 -7.377 9.087 1.00 0.00 O ATOM 451 CB VAL A 32 6.340 -6.436 5.978 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.131 -6.834 4.744 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.182 -5.525 5.599 1.00 0.00 C ATOM 0 H VAL A 32 4.656 -7.873 4.983 1.00 0.00 H new ATOM 0 HA VAL A 32 6.639 -8.383 6.868 1.00 0.00 H new ATOM 0 HB VAL A 32 7.004 -5.894 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.497 -5.938 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.976 -7.456 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.488 -7.393 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.566 -4.643 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.499 -6.060 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.650 -5.219 6.500 1.00 0.00 H new ATOM 463 N ASP A 33 3.931 -6.935 8.059 1.00 0.00 N ATOM 464 CA ASP A 33 3.212 -6.623 9.290 1.00 0.00 C ATOM 465 C ASP A 33 1.803 -7.222 9.218 1.00 0.00 C ATOM 466 O ASP A 33 1.397 -7.701 8.166 1.00 0.00 O ATOM 467 CB ASP A 33 3.181 -5.115 9.532 1.00 0.00 C ATOM 468 CG ASP A 33 4.126 -4.719 10.649 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.354 -4.762 10.429 1.00 0.00 O ATOM 470 OD2 ASP A 33 3.637 -4.377 11.746 1.00 0.00 O ATOM 0 H ASP A 33 3.372 -6.832 7.212 1.00 0.00 H new ATOM 0 HA ASP A 33 3.731 -7.067 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.456 -4.591 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.167 -4.805 9.783 1.00 0.00 H new ATOM 474 N ASP A 34 1.073 -7.231 10.335 1.00 0.00 N ATOM 475 CA ASP A 34 -0.298 -7.757 10.347 1.00 0.00 C ATOM 476 C ASP A 34 -1.239 -6.812 9.606 1.00 0.00 C ATOM 477 O ASP A 34 -2.036 -7.227 8.767 1.00 0.00 O ATOM 478 CB ASP A 34 -0.779 -7.959 11.784 1.00 0.00 C ATOM 479 CG ASP A 34 -1.956 -8.912 11.871 1.00 0.00 C ATOM 480 OD1 ASP A 34 -1.891 -9.994 11.249 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.941 -8.578 12.561 1.00 0.00 O ATOM 0 H ASP A 34 1.402 -6.884 11.236 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.300 -8.721 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.042 -8.344 12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.063 -6.996 12.208 1.00 0.00 H new ATOM 485 N ASP A 35 -1.139 -5.538 9.954 1.00 0.00 N ATOM 486 CA ASP A 35 -2.023 -4.504 9.417 1.00 0.00 C ATOM 487 C ASP A 35 -1.553 -3.883 8.109 1.00 0.00 C ATOM 488 O ASP A 35 -2.365 -3.573 7.237 1.00 0.00 O ATOM 489 CB ASP A 35 -2.195 -3.390 10.452 1.00 0.00 C ATOM 490 CG ASP A 35 -0.878 -2.960 11.067 1.00 0.00 C ATOM 491 OD1 ASP A 35 0.182 -3.362 10.543 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.906 -2.220 12.072 1.00 0.00 O ATOM 0 H ASP A 35 -0.446 -5.188 10.615 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.965 -5.008 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.670 -2.530 9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.866 -3.731 11.240 1.00 0.00 H new ATOM 496 N TRP A 36 -0.252 -3.700 7.969 1.00 0.00 N ATOM 497 CA TRP A 36 0.305 -3.212 6.717 1.00 0.00 C ATOM 498 C TRP A 36 1.175 -4.310 6.133 1.00 0.00 C ATOM 499 O TRP A 36 2.196 -4.655 6.729 1.00 0.00 O ATOM 500 CB TRP A 36 1.148 -1.955 6.946 1.00 0.00 C ATOM 501 CG TRP A 36 0.336 -0.751 7.292 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.262 -0.495 8.486 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.025 0.357 6.439 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.915 0.707 8.437 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.758 1.250 7.193 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.333 0.685 5.113 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.237 2.446 6.673 1.00 0.00 C ATOM 508 CZ3 TRP A 36 -0.149 1.874 4.593 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.926 2.741 5.374 1.00 0.00 C ATOM 0 H TRP A 36 0.436 -3.880 8.700 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.504 -2.952 6.034 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.861 -2.146 7.748 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.728 -1.747 6.047 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.227 -1.145 9.348 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.435 1.130 9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.935 0.023 4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.833 3.118 7.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.077 2.138 3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.287 3.662 4.941 1.00 0.00 H new ATOM 519 N TRP A 37 0.813 -4.876 4.988 1.00 0.00 N ATOM 520 CA TRP A 37 1.581 -5.931 4.345 1.00 0.00 C ATOM 521 C TRP A 37 2.362 -5.274 3.229 1.00 0.00 C ATOM 522 O TRP A 37 2.152 -4.093 2.953 1.00 0.00 O ATOM 523 CB TRP A 37 0.638 -7.046 3.853 1.00 0.00 C ATOM 524 CG TRP A 37 -0.656 -7.110 4.592 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.803 -7.253 5.932 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.972 -7.033 4.047 1.00 0.00 C ATOM 527 NE1 TRP A 37 -2.125 -7.272 6.262 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.868 -7.140 5.123 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.482 -6.884 2.759 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.244 -7.105 4.953 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.852 -6.844 2.587 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.720 -6.955 3.680 1.00 0.00 C ATOM 0 H TRP A 37 -0.029 -4.612 4.477 1.00 0.00 H new ATOM 0 HA TRP A 37 2.276 -6.417 5.030 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.433 -6.894 2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.146 -8.006 3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.011 -7.339 6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.499 -7.369 7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.819 -6.801 1.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.915 -7.193 5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.260 -6.725 1.594 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.787 -6.921 3.514 1.00 0.00 H new ATOM 542 N LEU A 38 3.262 -5.998 2.570 1.00 0.00 N ATOM 543 CA LEU A 38 4.061 -5.385 1.536 1.00 0.00 C ATOM 544 C LEU A 38 3.638 -5.825 0.152 1.00 0.00 C ATOM 545 O LEU A 38 3.070 -6.892 -0.032 1.00 0.00 O ATOM 546 CB LEU A 38 5.552 -5.676 1.806 1.00 0.00 C ATOM 547 CG LEU A 38 6.239 -6.649 0.832 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.487 -5.959 -0.498 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.542 -7.169 1.421 1.00 0.00 C ATOM 0 H LEU A 38 3.448 -6.987 2.734 1.00 0.00 H new ATOM 0 HA LEU A 38 3.902 -4.307 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.095 -4.731 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.646 -6.077 2.815 1.00 0.00 H new ATOM 0 HG LEU A 38 5.582 -7.503 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.974 -6.653 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.537 -5.636 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.129 -5.092 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.012 -7.855 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.213 -6.332 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.336 -7.692 2.355 1.00 0.00 H new ATOM 560 N GLY A 39 3.919 -4.953 -0.798 1.00 0.00 N ATOM 561 CA GLY A 39 3.536 -5.283 -2.151 1.00 0.00 C ATOM 562 C GLY A 39 4.585 -5.075 -3.220 1.00 0.00 C ATOM 563 O GLY A 39 5.777 -4.914 -2.964 1.00 0.00 O ATOM 0 H GLY A 39 4.387 -4.056 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.229 -6.329 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.661 -4.689 -2.412 1.00 0.00 H new ATOM 567 N GLU A 40 4.060 -5.091 -4.433 1.00 0.00 N ATOM 568 CA GLU A 40 4.785 -4.869 -5.666 1.00 0.00 C ATOM 569 C GLU A 40 3.698 -4.589 -6.699 1.00 0.00 C ATOM 570 O GLU A 40 2.895 -5.466 -6.955 1.00 0.00 O ATOM 571 CB GLU A 40 5.628 -6.082 -6.041 1.00 0.00 C ATOM 572 CG GLU A 40 6.798 -5.733 -6.937 1.00 0.00 C ATOM 573 CD GLU A 40 8.016 -6.597 -6.673 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.842 -7.744 -6.210 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.145 -6.127 -6.931 1.00 0.00 O ATOM 0 H GLU A 40 3.068 -5.268 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 40 5.495 -4.046 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.001 -6.554 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.997 -6.815 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.498 -5.844 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.062 -4.686 -6.791 1.00 0.00 H new ATOM 580 N LEU A 41 3.645 -3.417 -7.303 1.00 0.00 N ATOM 581 CA LEU A 41 2.552 -3.181 -8.243 1.00 0.00 C ATOM 582 C LEU A 41 2.786 -3.854 -9.576 1.00 0.00 C ATOM 583 O LEU A 41 3.795 -3.648 -10.217 1.00 0.00 O ATOM 584 CB LEU A 41 2.228 -1.696 -8.428 1.00 0.00 C ATOM 585 CG LEU A 41 1.632 -0.988 -7.209 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.550 0.513 -7.451 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.256 -1.548 -6.883 1.00 0.00 C ATOM 0 H LEU A 41 4.303 -2.648 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 41 1.675 -3.641 -7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.142 -1.177 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.530 -1.596 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 41 2.287 -1.166 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.124 1.000 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.549 0.907 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.918 0.708 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.150 -1.031 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.408 -1.401 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.339 -2.613 -6.666 1.00 0.00 H new ATOM 598 N GLU A 42 1.873 -4.723 -9.956 1.00 0.00 N ATOM 599 CA GLU A 42 1.985 -5.417 -11.222 1.00 0.00 C ATOM 600 C GLU A 42 2.065 -4.414 -12.368 1.00 0.00 C ATOM 601 O GLU A 42 2.825 -4.596 -13.318 1.00 0.00 O ATOM 602 CB GLU A 42 0.778 -6.343 -11.405 1.00 0.00 C ATOM 603 CG GLU A 42 0.499 -6.741 -12.847 1.00 0.00 C ATOM 604 CD GLU A 42 -0.608 -7.769 -12.968 1.00 0.00 C ATOM 605 OE1 GLU A 42 -0.917 -8.432 -11.955 1.00 0.00 O ATOM 606 OE2 GLU A 42 -1.167 -7.912 -14.076 1.00 0.00 O ATOM 0 H GLU A 42 1.047 -4.965 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 42 2.897 -6.015 -11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.937 -7.247 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.106 -5.851 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.228 -5.853 -13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.410 -7.141 -13.292 1.00 0.00 H new ATOM 611 N LYS A 43 1.272 -3.352 -12.264 1.00 0.00 N ATOM 612 CA LYS A 43 1.214 -2.360 -13.320 1.00 0.00 C ATOM 613 C LYS A 43 2.530 -1.584 -13.499 1.00 0.00 C ATOM 614 O LYS A 43 2.959 -1.359 -14.631 1.00 0.00 O ATOM 615 CB LYS A 43 -0.016 -1.441 -13.141 1.00 0.00 C ATOM 616 CG LYS A 43 0.256 -0.031 -12.620 1.00 0.00 C ATOM 617 CD LYS A 43 -0.531 0.252 -11.352 1.00 0.00 C ATOM 618 CE LYS A 43 0.394 0.548 -10.187 1.00 0.00 C ATOM 619 NZ LYS A 43 0.135 1.891 -9.598 1.00 0.00 N ATOM 0 H LYS A 43 0.668 -3.161 -11.465 1.00 0.00 H new ATOM 0 HA LYS A 43 1.085 -2.896 -14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.522 -1.357 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.710 -1.929 -12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.322 0.086 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.009 0.699 -13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.197 1.099 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.160 -0.606 -11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.267 -0.215 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.430 0.493 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.018 2.272 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.218 2.532 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.576 1.808 -8.843 1.00 0.00 H new ATOM 629 N ASP A 44 3.178 -1.174 -12.406 1.00 0.00 N ATOM 630 CA ASP A 44 4.423 -0.383 -12.525 1.00 0.00 C ATOM 631 C ASP A 44 5.610 -0.985 -11.761 1.00 0.00 C ATOM 632 O ASP A 44 6.731 -0.487 -11.851 1.00 0.00 O ATOM 633 CB ASP A 44 4.183 1.049 -12.045 1.00 0.00 C ATOM 634 CG ASP A 44 5.393 1.937 -12.255 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.509 2.531 -13.348 1.00 0.00 O ATOM 636 OD2 ASP A 44 6.223 2.039 -11.329 1.00 0.00 O ATOM 0 H ASP A 44 2.879 -1.365 -11.450 1.00 0.00 H new ATOM 0 HA ASP A 44 4.689 -0.394 -13.582 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.330 1.470 -12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.924 1.036 -10.986 1.00 0.00 H new ATOM 640 N GLY A 45 5.355 -2.044 -11.019 1.00 0.00 N ATOM 641 CA GLY A 45 6.420 -2.683 -10.256 1.00 0.00 C ATOM 642 C GLY A 45 6.847 -1.908 -9.021 1.00 0.00 C ATOM 643 O GLY A 45 8.018 -1.946 -8.642 1.00 0.00 O ATOM 0 H GLY A 45 4.437 -2.478 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.090 -3.676 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.286 -2.819 -10.904 1.00 0.00 H new ATOM 647 N SER A 46 5.919 -1.203 -8.388 1.00 0.00 N ATOM 648 CA SER A 46 6.257 -0.431 -7.195 1.00 0.00 C ATOM 649 C SER A 46 6.064 -1.282 -5.947 1.00 0.00 C ATOM 650 O SER A 46 5.059 -1.972 -5.819 1.00 0.00 O ATOM 651 CB SER A 46 5.380 0.820 -7.111 1.00 0.00 C ATOM 652 OG SER A 46 5.613 1.680 -8.212 1.00 0.00 O ATOM 0 H SER A 46 4.941 -1.148 -8.673 1.00 0.00 H new ATOM 0 HA SER A 46 7.302 -0.128 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.329 0.531 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.586 1.350 -6.181 1.00 0.00 H new ATOM 0 HG SER A 46 5.040 2.471 -8.136 1.00 0.00 H new ATOM 657 N LYS A 47 6.996 -1.176 -4.997 1.00 0.00 N ATOM 658 CA LYS A 47 6.912 -1.956 -3.762 1.00 0.00 C ATOM 659 C LYS A 47 6.836 -1.050 -2.542 1.00 0.00 C ATOM 660 O LYS A 47 7.365 0.060 -2.550 1.00 0.00 O ATOM 661 CB LYS A 47 8.107 -2.895 -3.595 1.00 0.00 C ATOM 662 CG LYS A 47 8.479 -3.637 -4.870 1.00 0.00 C ATOM 663 CD LYS A 47 9.986 -3.756 -5.027 1.00 0.00 C ATOM 664 CE LYS A 47 10.567 -2.555 -5.754 1.00 0.00 C ATOM 665 NZ LYS A 47 12.056 -2.545 -5.709 1.00 0.00 N ATOM 0 H LYS A 47 7.810 -0.564 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 47 6.001 -2.550 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.967 -2.318 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.882 -3.621 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.034 -4.632 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.063 -3.114 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.449 -3.847 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.225 -4.666 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.235 -2.564 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.184 -1.639 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.413 -1.710 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.373 -2.511 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.423 -3.407 -6.160 1.00 0.00 H new ATOM 675 N GLY A 48 6.175 -1.529 -1.494 1.00 0.00 N ATOM 676 CA GLY A 48 6.058 -0.773 -0.264 1.00 0.00 C ATOM 677 C GLY A 48 5.001 -1.343 0.659 1.00 0.00 C ATOM 678 O GLY A 48 4.111 -2.067 0.210 1.00 0.00 O ATOM 0 H GLY A 48 5.714 -2.439 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.020 -0.765 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.813 0.263 -0.498 1.00 0.00 H new ATOM 682 N LEU A 49 5.084 -1.025 1.947 1.00 0.00 N ATOM 683 CA LEU A 49 4.098 -1.531 2.887 1.00 0.00 C ATOM 684 C LEU A 49 2.816 -0.791 2.632 1.00 0.00 C ATOM 685 O LEU A 49 2.793 0.440 2.658 1.00 0.00 O ATOM 686 CB LEU A 49 4.531 -1.338 4.348 1.00 0.00 C ATOM 687 CG LEU A 49 5.965 -1.738 4.687 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.365 -2.984 3.916 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.916 -0.581 4.410 1.00 0.00 C ATOM 0 H LEU A 49 5.808 -0.433 2.354 1.00 0.00 H new ATOM 0 HA LEU A 49 3.979 -2.604 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.398 -0.288 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.856 -1.912 4.983 1.00 0.00 H new ATOM 0 HG LEU A 49 6.025 -1.973 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.390 -3.255 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.697 -3.804 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.296 -2.788 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.935 -0.880 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.862 -0.310 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.633 0.277 5.020 1.00 0.00 H new ATOM 700 N PHE A 50 1.743 -1.515 2.387 1.00 0.00 N ATOM 701 CA PHE A 50 0.477 -0.906 2.084 1.00 0.00 C ATOM 702 C PHE A 50 -0.554 -1.277 3.140 1.00 0.00 C ATOM 703 O PHE A 50 -0.344 -2.186 3.942 1.00 0.00 O ATOM 704 CB PHE A 50 0.014 -1.308 0.685 1.00 0.00 C ATOM 705 CG PHE A 50 -0.203 -2.779 0.523 1.00 0.00 C ATOM 706 CD1 PHE A 50 -1.395 -3.349 0.917 1.00 0.00 C ATOM 707 CD2 PHE A 50 0.779 -3.589 -0.025 1.00 0.00 C ATOM 708 CE1 PHE A 50 -1.613 -4.701 0.772 1.00 0.00 C ATOM 709 CE2 PHE A 50 0.569 -4.947 -0.173 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.630 -5.502 0.227 1.00 0.00 C ATOM 0 H PHE A 50 1.730 -2.535 2.394 1.00 0.00 H new ATOM 0 HA PHE A 50 0.593 0.178 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.914 -0.785 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.755 -0.977 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.168 -2.727 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.717 -3.155 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.552 -5.134 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.340 -5.571 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.799 -6.563 0.114 1.00 0.00 H new ATOM 719 N PRO A 51 -1.680 -0.567 3.144 1.00 0.00 N ATOM 720 CA PRO A 51 -2.740 -0.733 4.113 1.00 0.00 C ATOM 721 C PRO A 51 -3.729 -1.872 3.875 1.00 0.00 C ATOM 722 O PRO A 51 -3.632 -2.691 2.964 1.00 0.00 O ATOM 723 CB PRO A 51 -3.514 0.589 4.083 1.00 0.00 C ATOM 724 CG PRO A 51 -2.878 1.410 3.012 1.00 0.00 C ATOM 725 CD PRO A 51 -2.027 0.485 2.194 1.00 0.00 C ATOM 0 HA PRO A 51 -2.270 -0.993 5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.569 0.419 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.461 1.095 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.636 1.887 2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.274 2.207 3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.570 0.090 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.141 0.988 1.807 1.00 0.00 H new ATOM 730 N SER A 52 -4.650 -1.853 4.815 1.00 0.00 N ATOM 731 CA SER A 52 -5.770 -2.768 4.874 1.00 0.00 C ATOM 732 C SER A 52 -7.050 -2.127 4.367 1.00 0.00 C ATOM 733 O SER A 52 -7.651 -2.594 3.402 1.00 0.00 O ATOM 734 CB SER A 52 -5.937 -3.222 6.316 1.00 0.00 C ATOM 735 OG SER A 52 -7.117 -2.710 6.918 1.00 0.00 O ATOM 0 H SER A 52 -4.640 -1.181 5.582 1.00 0.00 H new ATOM 0 HA SER A 52 -5.568 -3.621 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.960 -4.311 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.071 -2.904 6.896 1.00 0.00 H new ATOM 0 HG SER A 52 -7.179 -3.031 7.842 1.00 0.00 H new ATOM 740 N ASN A 53 -7.467 -1.060 5.025 1.00 0.00 N ATOM 741 CA ASN A 53 -8.712 -0.397 4.708 1.00 0.00 C ATOM 742 C ASN A 53 -8.730 0.221 3.316 1.00 0.00 C ATOM 743 O ASN A 53 -9.781 0.248 2.676 1.00 0.00 O ATOM 744 CB ASN A 53 -8.993 0.664 5.775 1.00 0.00 C ATOM 745 CG ASN A 53 -8.021 1.821 5.735 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.972 1.746 5.097 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.363 2.893 6.442 1.00 0.00 N ATOM 0 H ASN A 53 -6.950 -0.632 5.793 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.498 -1.153 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.006 1.044 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.954 0.199 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.744 3.703 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.245 2.906 6.954 1.00 0.00 H new ATOM 753 N TYR A 54 -7.591 0.723 2.823 1.00 0.00 N ATOM 754 CA TYR A 54 -7.571 1.356 1.514 1.00 0.00 C ATOM 755 C TYR A 54 -7.539 0.290 0.389 1.00 0.00 C ATOM 756 O TYR A 54 -7.793 0.608 -0.773 1.00 0.00 O ATOM 757 CB TYR A 54 -6.363 2.300 1.359 1.00 0.00 C ATOM 758 CG TYR A 54 -6.565 3.767 1.689 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.939 4.146 2.963 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.304 4.781 0.754 1.00 0.00 C ATOM 761 CE1 TYR A 54 -7.069 5.473 3.303 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.429 6.110 1.093 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.812 6.453 2.365 1.00 0.00 C ATOM 764 OH TYR A 54 -6.942 7.782 2.695 1.00 0.00 O ATOM 0 H TYR A 54 -6.692 0.701 3.305 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.484 1.945 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.559 1.922 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.016 2.233 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.133 3.387 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.000 4.515 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.372 5.748 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.227 6.878 0.361 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.722 8.335 1.917 1.00 0.00 H new ATOM 773 N VAL A 55 -7.202 -0.984 0.731 1.00 0.00 N ATOM 774 CA VAL A 55 -7.071 -2.050 -0.290 1.00 0.00 C ATOM 775 C VAL A 55 -7.655 -3.411 0.110 1.00 0.00 C ATOM 776 O VAL A 55 -7.816 -3.723 1.287 1.00 0.00 O ATOM 777 CB VAL A 55 -5.597 -2.352 -0.600 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.877 -1.119 -1.110 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.916 -2.947 0.632 1.00 0.00 C ATOM 0 H VAL A 55 -7.020 -1.289 1.687 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.624 -1.639 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.551 -3.091 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.836 -1.366 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.358 -0.768 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.918 -0.335 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.871 -3.158 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.971 -2.236 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.420 -3.871 0.915 1.00 0.00 H new ATOM 789 N SER A 56 -7.962 -4.206 -0.906 1.00 0.00 N ATOM 790 CA SER A 56 -8.477 -5.558 -0.739 1.00 0.00 C ATOM 791 C SER A 56 -7.512 -6.574 -1.375 1.00 0.00 C ATOM 792 O SER A 56 -6.932 -6.305 -2.425 1.00 0.00 O ATOM 793 CB SER A 56 -9.836 -5.670 -1.404 1.00 0.00 C ATOM 794 OG SER A 56 -10.833 -6.071 -0.481 1.00 0.00 O ATOM 0 H SER A 56 -7.859 -3.926 -1.882 1.00 0.00 H new ATOM 0 HA SER A 56 -8.571 -5.772 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.109 -4.710 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.784 -6.389 -2.221 1.00 0.00 H new ATOM 0 HG SER A 56 -11.697 -6.132 -0.939 1.00 0.00 H new ATOM 799 N LEU A 57 -7.379 -7.755 -0.758 1.00 0.00 N ATOM 800 CA LEU A 57 -6.474 -8.790 -1.285 1.00 0.00 C ATOM 801 C LEU A 57 -7.177 -9.671 -2.314 1.00 0.00 C ATOM 802 O LEU A 57 -8.278 -10.166 -2.076 1.00 0.00 O ATOM 803 CB LEU A 57 -5.938 -9.682 -0.162 1.00 0.00 C ATOM 804 CG LEU A 57 -4.993 -9.004 0.833 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.681 -9.926 2.004 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.705 -8.586 0.143 1.00 0.00 C ATOM 0 H LEU A 57 -7.877 -8.017 0.093 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.645 -8.268 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.786 -10.088 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.416 -10.527 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.493 -8.115 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.008 -9.420 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.606 -10.184 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.206 -10.835 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.045 -8.106 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.212 -9.466 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.933 -7.886 -0.661 1.00 0.00 H new ATOM 817 N GLY A 58 -6.531 -9.858 -3.457 1.00 0.00 N ATOM 818 CA GLY A 58 -7.097 -10.671 -4.514 1.00 0.00 C ATOM 819 C GLY A 58 -6.866 -12.161 -4.298 1.00 0.00 C ATOM 820 O GLY A 58 -7.163 -12.969 -5.178 1.00 0.00 O ATOM 0 H GLY A 58 -5.618 -9.457 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.168 -10.479 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.661 -10.374 -5.468 1.00 0.00 H new ATOM 824 N ASN A 59 -6.353 -12.529 -3.119 1.00 0.00 N ATOM 825 CA ASN A 59 -6.082 -13.926 -2.797 1.00 0.00 C ATOM 826 C ASN A 59 -5.483 -14.057 -1.395 1.00 0.00 C ATOM 827 O ASN A 59 -5.952 -14.859 -0.591 1.00 0.00 O ATOM 828 CB ASN A 59 -5.164 -14.567 -3.861 1.00 0.00 C ATOM 829 CG ASN A 59 -3.679 -14.425 -3.566 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.160 -13.317 -3.437 1.00 0.00 O ATOM 831 ND2 ASN A 59 -2.992 -15.557 -3.460 1.00 0.00 N ATOM 0 H ASN A 59 -6.118 -11.874 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.029 -14.467 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.407 -15.626 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.376 -14.114 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.991 -15.530 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.465 -16.453 -3.575 1.00 0.00 H new