USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -93:sc= 1.07 USER MOD Set 1.2: A 56 SER OG : rot 21:sc= 0.261 USER MOD Single : A 8 TYR OH : rot 121:sc= 0.028 USER MOD Single : A 10 TYR OH : rot -136:sc= 0.595 USER MOD Single : A 16 ASN : amide:sc=-0.00265 K(o=-0.0026,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.637 USER MOD Single : A 23 ASN : amide:sc= -0.0679 K(o=-0.068,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 SER OG : rot -73:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.534 (180deg=0.376) USER MOD Single : A 52 SER OG : rot -58:sc= 0.954 USER MOD Single : A 53 ASN : amide:sc= 0.103 K(o=0.1,f=-4.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 11 N PRO A 2 -3.037 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.173 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.618 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.148 -4.827 -9.304 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.900 -10.245 1.00 1.00 C ATOM 0 HA PRO A 2 -4.669 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.741 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.723 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.846 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.604 -5.808 -9.167 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.947 -9.692 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.012 -5.793 -10.868 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.903 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.039 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.450 1.483 -8.683 1.00 1.00 C ATOM 30 CG TRP A 3 -5.744 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.034 1.854 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.359 -10.897 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.825 2.770 -9.718 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.070 3.340 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.785 -9.764 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.381 -0.103 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.144 -7.835 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.638 1.642 -9.392 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.374 1.472 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.418 -11.807 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.477 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.791 3.522 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.687 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.100 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.973 0.141 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.931 1.00 1.00 C ATOM 52 O ALA A 4 -5.293 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.359 -0.971 -3.903 1.00 1.00 C ATOM 0 H ALA A 4 -4.355 0.968 -5.771 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.974 -0.136 -5.089 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.975 -1.132 -3.019 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.310 -1.892 -4.484 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.354 -0.681 -3.597 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.045 1.00 1.00 N ATOM 60 CA THR A 5 -7.312 2.529 -2.137 1.00 1.00 C ATOM 61 C THR A 5 -7.063 2.047 -0.714 1.00 1.00 C ATOM 62 O THR A 5 -7.494 0.961 -0.332 1.00 1.00 O ATOM 63 CB THR A 5 -8.768 3.016 -2.259 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.635 1.875 -2.260 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.988 3.739 -3.568 1.00 1.00 C ATOM 0 H THR A 5 -7.714 0.640 -2.930 1.00 1.00 H new ATOM 0 HA THR A 5 -6.650 3.358 -2.390 1.00 1.00 H new ATOM 0 HB THR A 5 -8.974 3.687 -1.425 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.809 1.598 -3.184 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.024 4.073 -3.630 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.325 4.602 -3.623 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.774 3.064 -4.397 1.00 1.00 H new ATOM 73 N ALA A 6 -6.316 2.828 0.054 1.00 1.00 N ATOM 74 CA ALA A 6 -6.018 2.456 1.424 1.00 1.00 C ATOM 75 C ALA A 6 -7.278 2.490 2.267 1.00 1.00 C ATOM 76 O ALA A 6 -8.066 3.439 2.227 1.00 1.00 O ATOM 77 CB ALA A 6 -4.997 3.423 2.000 1.00 1.00 C ATOM 0 H ALA A 6 -5.910 3.714 -0.247 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.615 1.443 1.435 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.772 3.144 3.030 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.084 3.384 1.406 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.401 4.435 1.978 1.00 1.00 H new ATOM 83 N GLU A 7 -7.457 1.439 3.055 1.00 1.00 N ATOM 84 CA GLU A 7 -8.617 1.352 3.939 1.00 1.00 C ATOM 85 C GLU A 7 -8.265 1.752 5.363 1.00 1.00 C ATOM 86 O GLU A 7 -9.140 2.232 6.092 1.00 1.00 O ATOM 87 CB GLU A 7 -9.116 -0.077 3.955 1.00 1.00 C ATOM 88 CG GLU A 7 -10.374 -0.290 4.776 1.00 1.00 C ATOM 89 CD GLU A 7 -10.866 -1.725 4.715 1.00 1.00 C ATOM 90 OE1 GLU A 7 -10.114 -2.601 4.214 1.00 1.00 O ATOM 91 OE2 GLU A 7 -12.012 -1.976 5.143 1.00 1.00 O ATOM 0 H GLU A 7 -6.823 0.641 3.103 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.380 2.034 3.564 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -9.307 -0.394 2.930 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -8.328 -0.720 4.346 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -10.178 -0.019 5.814 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -11.158 0.376 4.415 1.00 1.00 H new ATOM 98 N TYR A 8 -7.009 1.551 5.762 1.00 1.00 N ATOM 99 CA TYR A 8 -6.544 1.860 7.112 1.00 1.00 C ATOM 100 C TYR A 8 -5.190 2.513 6.966 1.00 1.00 C ATOM 101 O TYR A 8 -4.442 2.171 6.050 1.00 1.00 O ATOM 102 CB TYR A 8 -6.410 0.585 7.966 1.00 1.00 C ATOM 103 CG TYR A 8 -7.685 -0.215 8.045 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.725 0.249 8.822 1.00 1.00 C ATOM 105 CD2 TYR A 8 -7.885 -1.372 7.299 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.926 -0.428 8.923 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.109 -2.060 7.373 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.118 -1.556 8.184 1.00 1.00 C ATOM 109 OH TYR A 8 -11.334 -2.218 8.303 1.00 1.00 O ATOM 0 H TYR A 8 -6.284 1.168 5.155 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.259 2.512 7.613 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.621 -0.042 7.550 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.099 0.862 8.974 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.597 1.171 9.369 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.097 -1.743 6.660 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.703 -0.067 9.580 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.263 -2.967 6.807 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.770 -2.262 7.426 1.00 1.00 H new ATOM 119 N ASP A 9 -4.840 3.393 7.887 1.00 1.00 N ATOM 120 CA ASP A 9 -3.530 4.019 7.888 1.00 1.00 C ATOM 121 C ASP A 9 -2.471 2.952 8.160 1.00 1.00 C ATOM 122 O ASP A 9 -2.636 2.157 9.098 1.00 1.00 O ATOM 123 CB ASP A 9 -3.377 5.051 9.030 1.00 1.00 C ATOM 124 CG ASP A 9 -2.076 5.799 9.053 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.135 5.516 8.293 1.00 1.00 O ATOM 126 OD2 ASP A 9 -1.960 6.742 9.871 1.00 1.00 O ATOM 0 H ASP A 9 -5.449 3.692 8.649 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.414 4.508 6.921 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.190 5.773 8.955 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.496 4.534 9.982 1.00 1.00 H new ATOM 131 N TYR A 10 -1.388 2.945 7.392 1.00 1.00 N ATOM 132 CA TYR A 10 -0.292 2.006 7.605 1.00 1.00 C ATOM 133 C TYR A 10 0.980 2.802 7.716 1.00 1.00 C ATOM 134 O TYR A 10 1.304 3.608 6.831 1.00 1.00 O ATOM 135 CB TYR A 10 -0.133 0.960 6.491 1.00 1.00 C ATOM 136 CG TYR A 10 1.113 0.141 6.730 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.117 -0.958 7.573 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.269 0.409 6.026 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.249 -1.739 7.715 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.389 -0.367 6.145 1.00 1.00 C ATOM 141 CZ TYR A 10 3.366 -1.447 6.998 1.00 1.00 C ATOM 142 OH TYR A 10 4.515 -2.220 7.077 1.00 1.00 O ATOM 0 H TYR A 10 -1.245 3.584 6.610 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.517 1.446 8.513 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.007 0.309 6.464 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.073 1.455 5.521 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.224 -1.208 8.127 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.290 1.259 5.360 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.246 -2.579 8.394 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.279 -0.136 5.578 1.00 1.00 H new ATOM 0 HH TYR A 10 5.299 -1.635 7.140 1.00 1.00 H new ATOM 152 N ASP A 11 1.673 2.600 8.824 1.00 1.00 N ATOM 153 CA ASP A 11 2.927 3.283 9.073 1.00 1.00 C ATOM 154 C ASP A 11 4.103 2.368 8.783 1.00 1.00 C ATOM 155 O ASP A 11 4.280 1.354 9.469 1.00 1.00 O ATOM 156 CB ASP A 11 3.014 3.704 10.538 1.00 1.00 C ATOM 157 CG ASP A 11 4.149 4.655 10.823 1.00 1.00 C ATOM 158 OD1 ASP A 11 4.090 5.856 10.480 1.00 1.00 O ATOM 159 OD2 ASP A 11 5.137 4.261 11.449 1.00 1.00 O ATOM 0 H ASP A 11 1.385 1.965 9.568 1.00 1.00 H new ATOM 0 HA ASP A 11 2.964 4.156 8.421 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.075 4.174 10.829 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.131 2.815 11.157 1.00 1.00 H new ATOM 164 N ALA A 12 4.917 2.709 7.804 1.00 1.00 N ATOM 165 CA ALA A 12 6.071 1.878 7.522 1.00 1.00 C ATOM 166 C ALA A 12 7.023 1.850 8.702 1.00 1.00 C ATOM 167 O ALA A 12 7.355 2.871 9.281 1.00 1.00 O ATOM 168 CB ALA A 12 6.820 2.413 6.324 1.00 1.00 C ATOM 0 H ALA A 12 4.808 3.529 7.207 1.00 1.00 H new ATOM 0 HA ALA A 12 5.708 0.870 7.323 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.684 1.780 6.123 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.162 2.416 5.455 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.155 3.430 6.529 1.00 1.00 H new ATOM 174 N ALA A 13 7.530 0.660 8.990 1.00 1.00 N ATOM 175 CA ALA A 13 8.514 0.463 10.040 1.00 1.00 C ATOM 176 C ALA A 13 9.846 0.039 9.443 1.00 1.00 C ATOM 177 O ALA A 13 10.760 -0.323 10.171 1.00 1.00 O ATOM 178 CB ALA A 13 8.035 -0.592 11.041 1.00 1.00 C ATOM 0 H ALA A 13 7.269 -0.196 8.501 1.00 1.00 H new ATOM 0 HA ALA A 13 8.644 1.409 10.565 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.787 -0.724 11.819 1.00 1.00 H new ATOM 0 HB2 ALA A 13 7.099 -0.266 11.493 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.878 -1.539 10.524 1.00 1.00 H new ATOM 184 N GLU A 14 9.951 0.027 8.117 1.00 1.00 N ATOM 185 CA GLU A 14 11.173 -0.391 7.442 1.00 1.00 C ATOM 186 C GLU A 14 11.438 0.571 6.305 1.00 1.00 C ATOM 187 O GLU A 14 10.507 1.192 5.780 1.00 1.00 O ATOM 188 CB GLU A 14 11.072 -1.817 6.870 1.00 1.00 C ATOM 189 CG GLU A 14 10.957 -2.926 7.882 1.00 1.00 C ATOM 190 CD GLU A 14 10.727 -4.310 7.275 1.00 1.00 C ATOM 191 OE1 GLU A 14 10.682 -4.393 6.033 1.00 1.00 O ATOM 192 OE2 GLU A 14 10.615 -5.292 8.038 1.00 1.00 O ATOM 0 H GLU A 14 9.199 0.304 7.487 1.00 1.00 H new ATOM 0 HA GLU A 14 11.981 -0.387 8.174 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.205 -1.862 6.210 1.00 1.00 H new ATOM 0 HB3 GLU A 14 11.952 -2.003 6.254 1.00 1.00 H new ATOM 0 HG2 GLU A 14 11.867 -2.951 8.481 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.135 -2.699 8.561 1.00 1.00 H new ATOM 199 N ASP A 15 12.683 0.625 5.836 1.00 1.00 N ATOM 200 CA ASP A 15 13.045 1.501 4.734 1.00 1.00 C ATOM 201 C ASP A 15 12.367 1.151 3.424 1.00 1.00 C ATOM 202 O ASP A 15 12.041 2.047 2.661 1.00 1.00 O ATOM 203 CB ASP A 15 14.550 1.489 4.503 1.00 1.00 C ATOM 204 CG ASP A 15 15.278 2.450 5.392 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.643 3.230 6.142 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.519 2.543 5.354 1.00 1.00 O ATOM 0 H ASP A 15 13.455 0.070 6.205 1.00 1.00 H new ATOM 0 HA ASP A 15 12.702 2.490 5.037 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.932 0.482 4.673 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.756 1.736 3.462 1.00 1.00 H new ATOM 211 N ASN A 16 12.135 -0.140 3.183 1.00 1.00 N ATOM 212 CA ASN A 16 11.495 -0.580 1.941 1.00 1.00 C ATOM 213 C ASN A 16 9.967 -0.629 1.998 1.00 1.00 C ATOM 214 O ASN A 16 9.338 -1.032 1.024 1.00 1.00 O ATOM 215 CB ASN A 16 12.066 -1.941 1.486 1.00 1.00 C ATOM 216 CG ASN A 16 13.496 -1.856 1.029 1.00 1.00 C ATOM 217 OD1 ASN A 16 14.011 -0.812 0.739 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.166 -3.013 0.975 1.00 1.00 N ATOM 0 H ASN A 16 12.378 -0.894 3.825 1.00 1.00 H new ATOM 0 HA ASN A 16 11.735 0.186 1.203 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.995 -2.652 2.309 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.454 -2.332 0.674 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.143 -3.024 0.681 1.00 1.00 H new ATOM 0 HD22 ASN A 16 13.700 -3.884 1.228 1.00 1.00 H new ATOM 225 N GLU A 17 9.372 -0.170 3.102 1.00 1.00 N ATOM 226 CA GLU A 17 7.922 -0.173 3.265 1.00 1.00 C ATOM 227 C GLU A 17 7.307 1.185 3.009 1.00 1.00 C ATOM 228 O GLU A 17 7.832 2.219 3.437 1.00 1.00 O ATOM 229 CB GLU A 17 7.568 -0.600 4.689 1.00 1.00 C ATOM 230 CG GLU A 17 7.879 -2.060 4.929 1.00 1.00 C ATOM 231 CD GLU A 17 7.636 -2.523 6.337 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.277 -1.682 7.184 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.793 -3.738 6.594 1.00 1.00 O ATOM 0 H GLU A 17 9.880 0.211 3.900 1.00 1.00 H new ATOM 0 HA GLU A 17 7.521 -0.872 2.531 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.122 0.012 5.401 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.509 -0.419 4.870 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.275 -2.664 4.252 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.923 -2.243 4.674 1.00 1.00 H new ATOM 240 N LEU A 18 6.185 1.189 2.284 1.00 1.00 N ATOM 241 CA LEU A 18 5.441 2.415 2.004 1.00 1.00 C ATOM 242 C LEU A 18 4.656 2.847 3.229 1.00 1.00 C ATOM 243 O LEU A 18 4.093 2.029 3.962 1.00 1.00 O ATOM 244 CB LEU A 18 4.422 2.177 0.896 1.00 1.00 C ATOM 245 CG LEU A 18 4.937 1.917 -0.511 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.816 1.523 -1.463 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.605 3.153 -1.004 1.00 1.00 C ATOM 0 H LEU A 18 5.772 0.349 1.879 1.00 1.00 H new ATOM 0 HA LEU A 18 6.165 3.176 1.713 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.806 1.326 1.187 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.766 3.046 0.855 1.00 1.00 H new ATOM 0 HG LEU A 18 5.640 1.084 -0.476 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.228 1.347 -2.457 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.335 0.613 -1.103 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.081 2.327 -1.512 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.981 2.985 -2.013 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.888 3.974 -1.016 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.435 3.406 -0.344 1.00 1.00 H new ATOM 259 N THR A 19 4.607 4.147 3.419 1.00 1.00 N ATOM 260 CA THR A 19 3.844 4.812 4.462 1.00 1.00 C ATOM 261 C THR A 19 2.703 5.531 3.753 1.00 1.00 C ATOM 262 O THR A 19 2.940 6.201 2.762 1.00 1.00 O ATOM 263 CB THR A 19 4.713 5.833 5.213 1.00 1.00 C ATOM 264 OG1 THR A 19 5.715 5.134 5.944 1.00 1.00 O ATOM 265 CG2 THR A 19 3.908 6.652 6.230 1.00 1.00 C ATOM 0 H THR A 19 5.119 4.801 2.827 1.00 1.00 H new ATOM 0 HA THR A 19 3.482 4.093 5.197 1.00 1.00 H new ATOM 0 HB THR A 19 5.132 6.508 4.467 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.277 5.777 6.426 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.569 7.358 6.733 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.118 7.198 5.714 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.464 5.982 6.967 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.993 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.776 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.719 5.616 5.669 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.394 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.169 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.804 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.846 1.986 3.309 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.455 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.052 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.251 4.806 5.061 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.982 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.700 1.944 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.685 5.306 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.288 4.058 3.525 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.114 1.640 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.768 1.668 3.772 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.916 0.720 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.153 -0.001 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.932 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.034 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.622 5.456 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.018 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.835 7.415 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.823 6.565 5.948 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.076 8.732 5.986 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.120 10.061 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.026 8.385 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.892 5.889 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.307 10.564 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.272 9.435 3.676 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.042 9.252 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.413 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.548 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.740 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.617 6.163 5.668 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.503 5.284 1.00 1.00 C ATOM 315 CD GLU A 22 -10.081 5.739 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.813 6.303 7.342 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.237 5.353 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.242 6.497 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.512 4.969 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.248 5.720 6.593 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.782 7.222 5.866 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.255 5.874 4.306 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.792 4.429 5.182 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.825 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.747 8.109 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.059 7.659 1.908 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.595 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.578 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.564 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.390 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.275 8.817 2.018 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.918 8.635 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.445 8.156 3.319 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.110 9.297 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.479 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.905 4.987 -1.113 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.154 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.405 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.463 0.750 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.170 6.924 1.444 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.330 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.978 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.298 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.712 4.721 -3.910 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.438 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.851 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.507 6.701 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.981 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.543 -7.867 1.00 1.00 N ATOM 0 H LYS A 25 -3.872 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.777 4.492 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.050 6.755 -5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.128 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.662 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.308 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.956 7.617 -6.652 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.233 5.976 -7.202 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.560 6.061 -6.336 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.289 7.685 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.723 -7.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.433 -8.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.134 6.860 -8.610 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.411 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.298 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.086 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.535 1.374 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.195 1.589 -3.256 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.870 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.805 -3.625 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.268 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.808 -4.076 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.529 3.340 -4.212 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.947 -3.249 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.408 1.471 -1.293 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.440 3.089 -1.965 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.226 0.014 -2.893 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.062 0.364 -4.614 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.476 -3.632 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.980 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.876 3.211 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.567 -0.910 1.00 1.00 H new ATOM 391 N ILE A 27 -0.627 2.363 -6.574 1.00 1.00 N ATOM 392 CA ILE A 27 -0.736 1.999 -7.975 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.667 1.00 1.00 O ATOM 395 CB ILE A 27 -0.693 3.260 -8.883 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.699 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.811 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.238 2.850 -6.341 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.704 1.516 -8.109 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.968 2.950 -9.891 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.974 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.654 5.177 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.703 3.879 -8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.459 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.827 5.353 -10.027 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.569 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.113 5.760 -9.774 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.662 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.847 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.610 1.00 1.00 C ATOM 415 CG ASN A 28 2.068 1.080 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.191 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.692 2.253 -11.654 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.593 -1.060 -10.950 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.853 0.578 -9.785 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.035 -0.693 -10.978 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.448 3.002 -12.301 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.403 -10.950 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.243 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.585 -3.275 -7.515 1.00 1.00 C ATOM 426 C ILE A 29 1.176 -4.527 -8.144 1.00 1.00 C ATOM 427 O ILE A 29 0.681 -5.035 -9.148 1.00 1.00 O ATOM 428 CB ILE A 29 -0.730 -3.576 -6.807 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.168 -2.311 -6.077 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.612 -4.758 -5.837 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.569 -2.323 -5.553 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.021 -8.711 1.00 1.00 H new ATOM 0 HA ILE A 29 1.300 -2.917 -6.774 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.476 -3.869 -7.546 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.488 -2.140 -5.243 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -1.059 -1.465 -6.755 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.575 -4.933 -5.357 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.313 -5.651 -6.386 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.136 -4.532 -5.077 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.778 -1.378 -5.052 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.266 -2.457 -6.380 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.685 -3.143 -4.844 1.00 1.00 H new ATOM 443 N GLU A 30 2.253 -4.992 -7.533 1.00 1.00 N ATOM 444 CA GLU A 30 2.966 -6.179 -7.947 1.00 1.00 C ATOM 445 C GLU A 30 2.781 -7.214 -6.852 1.00 1.00 C ATOM 446 O GLU A 30 3.103 -6.973 -5.687 1.00 1.00 O ATOM 447 CB GLU A 30 4.439 -5.839 -8.228 1.00 1.00 C ATOM 448 CG GLU A 30 4.507 -4.923 -9.457 1.00 1.00 C ATOM 449 CD GLU A 30 5.886 -4.410 -9.880 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.928 -4.838 -9.337 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.932 -3.650 -10.860 1.00 1.00 O ATOM 0 H GLU A 30 2.662 -4.540 -6.715 1.00 1.00 H new ATOM 0 HA GLU A 30 2.578 -6.587 -8.880 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.884 -5.346 -7.364 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.010 -6.751 -8.404 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.074 -5.460 -10.301 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.870 -4.059 -9.268 1.00 1.00 H new ATOM 458 N PHE A 31 2.220 -8.360 -7.227 1.00 1.00 N ATOM 459 CA PHE A 31 1.896 -9.417 -6.283 1.00 1.00 C ATOM 460 C PHE A 31 3.173 -10.147 -5.891 1.00 1.00 C ATOM 461 O PHE A 31 3.377 -11.310 -6.226 1.00 1.00 O ATOM 462 CB PHE A 31 0.860 -10.353 -6.913 1.00 1.00 C ATOM 463 CG PHE A 31 -0.492 -9.701 -7.080 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.391 -9.701 -6.051 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.869 -9.132 -8.278 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.655 -9.107 -6.193 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.107 -8.548 -8.417 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.996 -8.543 -7.386 1.00 1.00 C ATOM 0 H PHE A 31 1.979 -8.579 -8.194 1.00 1.00 H new ATOM 0 HA PHE A 31 1.459 -9.005 -5.373 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.221 -10.685 -7.886 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.755 -11.242 -6.292 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.125 -10.166 -5.113 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -0.186 -9.145 -9.115 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.350 -9.097 -5.366 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -2.377 -8.088 -9.356 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.970 -8.093 -7.513 1.00 1.00 H new ATOM 478 N VAL A 32 3.999 -9.486 -5.101 1.00 1.00 N ATOM 479 CA VAL A 32 5.254 -10.088 -4.648 1.00 1.00 C ATOM 480 C VAL A 32 5.069 -11.265 -3.717 1.00 1.00 C ATOM 481 O VAL A 32 5.724 -12.273 -3.901 1.00 1.00 O ATOM 482 CB VAL A 32 6.184 -9.050 -3.967 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.378 -9.741 -3.325 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.635 -7.983 -4.943 1.00 1.00 C ATOM 0 H VAL A 32 3.832 -8.540 -4.758 1.00 1.00 H new ATOM 0 HA VAL A 32 5.720 -10.458 -5.561 1.00 1.00 H new ATOM 0 HB VAL A 32 5.612 -8.554 -3.183 1.00 1.00 H new ATOM 0 HG11 VAL A 32 8.019 -8.996 -2.853 1.00 1.00 H new ATOM 0 HG12 VAL A 32 7.028 -10.448 -2.573 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.944 -10.274 -4.089 1.00 1.00 H new ATOM 0 HG21 VAL A 32 7.285 -7.273 -4.431 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.181 -8.448 -5.764 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.764 -7.459 -5.337 1.00 1.00 H new ATOM 494 N ASP A 33 4.165 -11.156 -2.754 1.00 1.00 N ATOM 495 CA ASP A 33 3.870 -12.222 -1.806 1.00 1.00 C ATOM 496 C ASP A 33 2.354 -12.229 -1.610 1.00 1.00 C ATOM 497 O ASP A 33 1.691 -11.273 -1.976 1.00 1.00 O ATOM 498 CB ASP A 33 4.625 -11.944 -0.504 1.00 1.00 C ATOM 499 CG ASP A 33 4.303 -12.924 0.580 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.622 -14.142 0.478 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.691 -12.499 1.594 1.00 1.00 O ATOM 0 H ASP A 33 3.608 -10.314 -2.607 1.00 1.00 H new ATOM 0 HA ASP A 33 4.189 -13.202 -2.160 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.697 -11.967 -0.700 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.386 -10.938 -0.159 1.00 1.00 H new ATOM 506 N ASP A 34 1.808 -13.312 -1.036 1.00 1.00 N ATOM 507 CA ASP A 34 0.372 -13.422 -0.802 1.00 1.00 C ATOM 508 C ASP A 34 -0.115 -12.384 0.200 1.00 1.00 C ATOM 509 O ASP A 34 -1.228 -11.890 0.103 1.00 1.00 O ATOM 510 CB ASP A 34 -0.001 -14.792 -0.214 1.00 1.00 C ATOM 511 CG ASP A 34 -0.193 -15.858 -1.248 1.00 1.00 C ATOM 512 OD1 ASP A 34 -0.259 -15.562 -2.452 1.00 1.00 O ATOM 513 OD2 ASP A 34 -0.330 -17.052 -0.914 1.00 1.00 O ATOM 0 H ASP A 34 2.346 -14.122 -0.727 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.094 -13.273 -1.776 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.781 -15.106 0.478 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.918 -14.691 0.366 1.00 1.00 H new ATOM 518 N ASP A 35 0.715 -12.081 1.192 1.00 1.00 N ATOM 519 CA ASP A 35 0.360 -11.160 2.272 1.00 1.00 C ATOM 520 C ASP A 35 0.857 -9.735 2.090 1.00 1.00 C ATOM 521 O ASP A 35 0.217 -8.782 2.548 1.00 1.00 O ATOM 522 CB ASP A 35 0.894 -11.722 3.599 1.00 1.00 C ATOM 523 CG ASP A 35 0.412 -10.919 4.772 1.00 1.00 C ATOM 524 OD1 ASP A 35 -0.789 -10.833 5.123 1.00 1.00 O ATOM 525 OD2 ASP A 35 1.276 -10.261 5.387 1.00 1.00 O ATOM 0 H ASP A 35 1.656 -12.467 1.272 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.728 -11.092 2.265 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.575 -12.758 3.711 1.00 1.00 H new ATOM 0 HB3 ASP A 35 1.984 -11.724 3.582 1.00 1.00 H new ATOM 530 N TRP A 36 2.017 -9.602 1.472 1.00 1.00 N ATOM 531 CA TRP A 36 2.631 -8.312 1.259 1.00 1.00 C ATOM 532 C TRP A 36 2.658 -8.055 -0.232 1.00 1.00 C ATOM 533 O TRP A 36 3.048 -8.939 -1.000 1.00 1.00 O ATOM 534 CB TRP A 36 4.054 -8.315 1.799 1.00 1.00 C ATOM 535 CG TRP A 36 4.118 -8.255 3.283 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.902 -9.275 4.162 1.00 1.00 C ATOM 537 CD2 TRP A 36 4.359 -7.090 4.065 1.00 1.00 C ATOM 538 NE1 TRP A 36 4.020 -8.812 5.450 1.00 1.00 N ATOM 539 CE2 TRP A 36 4.313 -7.473 5.422 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.671 -5.772 3.762 1.00 1.00 C ATOM 541 CZ2 TRP A 36 4.536 -6.561 6.467 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.907 -4.890 4.797 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.842 -5.284 6.122 1.00 1.00 C ATOM 0 H TRP A 36 2.556 -10.387 1.106 1.00 1.00 H new ATOM 0 HA TRP A 36 2.066 -7.536 1.776 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.564 -9.215 1.456 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.595 -7.465 1.384 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.673 -10.294 3.887 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.908 -9.375 6.293 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.728 -5.443 2.735 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 4.467 -6.863 7.502 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 5.149 -3.863 4.566 1.00 1.00 H new ATOM 0 HH2 TRP A 36 5.039 -4.560 6.899 1.00 1.00 H new ATOM 554 N TRP A 37 2.252 -6.851 -0.632 1.00 1.00 N ATOM 555 CA TRP A 37 2.227 -6.452 -2.013 1.00 1.00 C ATOM 556 C TRP A 37 3.197 -5.304 -2.188 1.00 1.00 C ATOM 557 O TRP A 37 3.451 -4.542 -1.268 1.00 1.00 O ATOM 558 CB TRP A 37 0.841 -6.034 -2.473 1.00 1.00 C ATOM 559 CG TRP A 37 -0.175 -7.149 -2.452 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.077 -8.473 -2.261 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.590 -7.036 -2.649 1.00 1.00 C ATOM 562 NE1 TRP A 37 -1.092 -9.197 -2.334 1.00 1.00 N ATOM 563 CE2 TRP A 37 -2.132 -8.340 -2.563 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.454 -5.977 -2.877 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.480 -8.599 -2.711 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.809 -6.253 -3.038 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.298 -7.548 -2.942 1.00 1.00 C ATOM 0 H TRP A 37 1.930 -6.127 0.011 1.00 1.00 H new ATOM 0 HA TRP A 37 2.514 -7.307 -2.626 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.488 -5.222 -1.837 1.00 1.00 H new ATOM 0 HB3 TRP A 37 0.910 -5.638 -3.486 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.054 -8.895 -2.078 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -1.169 -10.209 -2.233 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.086 -4.963 -2.929 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.867 -9.605 -2.645 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.493 -5.443 -3.242 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.358 -7.720 -3.055 1.00 1.00 H new ATOM 578 N LEU A 38 3.744 -5.206 -3.382 1.00 1.00 N ATOM 579 CA LEU A 38 4.660 -4.153 -3.739 1.00 1.00 C ATOM 580 C LEU A 38 3.917 -3.144 -4.626 1.00 1.00 C ATOM 581 O LEU A 38 3.396 -3.527 -5.672 1.00 1.00 O ATOM 582 CB LEU A 38 5.802 -4.735 -4.525 1.00 1.00 C ATOM 583 CG LEU A 38 7.050 -3.959 -4.975 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.820 -3.419 -3.780 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.967 -4.767 -5.848 1.00 1.00 C ATOM 0 H LEU A 38 3.560 -5.866 -4.138 1.00 1.00 H new ATOM 0 HA LEU A 38 5.040 -3.667 -2.840 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.169 -5.578 -3.940 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.361 -5.145 -5.434 1.00 1.00 H new ATOM 0 HG LEU A 38 6.682 -3.128 -5.576 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.698 -2.875 -4.129 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.180 -2.747 -3.208 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.135 -4.248 -3.146 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.828 -4.161 -6.131 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.306 -5.648 -5.302 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.433 -5.080 -6.745 1.00 1.00 H new ATOM 597 N GLY A 39 3.902 -1.882 -4.239 1.00 1.00 N ATOM 598 CA GLY A 39 3.252 -0.892 -5.062 1.00 1.00 C ATOM 599 C GLY A 39 3.981 0.431 -5.031 1.00 1.00 C ATOM 600 O GLY A 39 5.120 0.517 -4.566 1.00 1.00 O ATOM 0 H GLY A 39 4.323 -1.528 -3.380 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.197 -1.253 -6.089 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.227 -0.750 -4.719 1.00 1.00 H new ATOM 604 N GLU A 40 3.293 1.450 -5.514 1.00 1.00 N ATOM 605 CA GLU A 40 3.805 2.800 -5.591 1.00 1.00 C ATOM 606 C GLU A 40 2.700 3.778 -5.223 1.00 1.00 C ATOM 607 O GLU A 40 1.550 3.603 -5.613 1.00 1.00 O ATOM 608 CB GLU A 40 4.274 3.069 -7.011 1.00 1.00 C ATOM 609 CG GLU A 40 4.752 1.837 -7.758 1.00 1.00 C ATOM 610 CD GLU A 40 5.046 2.076 -9.230 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.774 3.202 -9.704 1.00 1.00 O ATOM 612 OE2 GLU A 40 5.488 1.111 -9.914 1.00 1.00 O ATOM 0 H GLU A 40 2.342 1.356 -5.871 1.00 1.00 H new ATOM 0 HA GLU A 40 4.639 2.923 -4.900 1.00 1.00 H new ATOM 0 HB2 GLU A 40 3.457 3.524 -7.571 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.084 3.798 -6.981 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.654 1.460 -7.275 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.995 1.057 -7.672 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.828 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.002 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.507 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.414 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.671 5.912 -1.602 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.913 6.915 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.962 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.968 5.028 -4.113 1.00 1.00 H new ATOM 0 HA LEU A 41 1.136 5.181 -3.821 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.320 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.636 7.382 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.571 5.313 -1.743 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.095 6.377 0.460 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.780 7.531 -0.709 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.036 7.552 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.473 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.644 5.506 -1.146 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.486 4.210 -2.029 1.00 1.00 H new ATOM 638 N GLU A 42 0.343 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.100 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.876 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.374 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.092 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.181 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.895 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.402 6.340 -5.017 1.00 1.00 H new ATOM 0 HA GLU A 42 0.295 7.588 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.006 6.900 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.040 -5.446 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.827 -7.307 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.145 8.583 -8.401 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.557 -4.760 1.00 1.00 N ATOM 654 CA LYS A 43 0.649 10.954 -4.398 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.531 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.631 1.00 1.00 O ATOM 657 CB LYS A 43 0.110 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.553 1.00 1.00 C ATOM 660 CE LYS A 43 0.960 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.270 8.908 -3.986 1.00 1.00 H new ATOM 0 HA LYS A 43 0.096 11.523 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.075 12.328 -2.853 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.915 10.884 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.116 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.379 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.217 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.898 10.797 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.734 10.061 2.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.046 11.415 1.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.706 9.865 1.786 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.534 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.098 -5.294 1.00 1.00 C ATOM 678 O ASP A 44 6.594 10.405 -5.307 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.100 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.244 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.832 -2.755 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.528 -4.519 1.00 1.00 H new ATOM 0 HA ASP A 44 4.425 11.912 -5.094 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.149 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.293 11.936 -2.614 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.155 -6.632 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.585 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.673 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.532 -7.316 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.795 -7.243 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.369 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.994 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.689 -4.170 1.00 1.00 O ATOM 698 CB SER A 46 7.386 6.757 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.101 6.703 -1.615 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.468 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.094 -1.576 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.777 7.767 -2.028 1.00 1.00 H new ATOM 0 HG SER A 46 5.575 7.457 -1.953 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.609 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.108 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.338 2.072 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.133 -7.681 1.00 1.00 C ATOM 712 CE LYS A 47 8.144 3.003 -8.893 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.867 4.156 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.480 -4.071 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.188 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.146 1.006 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.837 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.289 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.971 -7.599 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.984 1.153 -7.804 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.154 3.443 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.857 3.827 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 8.199 2.962 -10.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.059 1.697 -10.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.362 1.657 -10.290 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.659 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.743 -0.193 -1.384 1.00 1.00 C ATOM 729 C GLY A 48 6.691 -1.225 -1.066 1.00 1.00 C ATOM 730 O GLY A 48 5.576 -1.199 -1.598 1.00 1.00 O ATOM 0 H GLY A 48 6.572 0.339 -3.031 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.681 -0.697 -1.616 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.921 0.422 -0.502 1.00 1.00 H new ATOM 734 N LEU A 49 7.054 -2.120 -0.167 1.00 1.00 N ATOM 735 CA LEU A 49 6.194 -3.183 0.281 1.00 1.00 C ATOM 736 C LEU A 49 5.129 -2.676 1.234 1.00 1.00 C ATOM 737 O LEU A 49 5.396 -1.849 2.120 1.00 1.00 O ATOM 738 CB LEU A 49 7.026 -4.231 1.015 1.00 1.00 C ATOM 739 CG LEU A 49 7.977 -5.061 0.171 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.906 -5.818 1.076 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.188 -6.019 -0.714 1.00 1.00 C ATOM 0 H LEU A 49 7.973 -2.123 0.276 1.00 1.00 H new ATOM 0 HA LEU A 49 5.709 -3.608 -0.598 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.608 -3.725 1.785 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.344 -4.910 1.526 1.00 1.00 H new ATOM 0 HG LEU A 49 8.563 -4.407 -0.474 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.592 -6.416 0.476 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.475 -5.115 1.684 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.327 -6.473 1.726 1.00 1.00 H new ATOM 0 HD21 LEU A 49 7.878 -6.610 -1.316 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.591 -6.683 -0.089 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.530 -5.450 -1.371 1.00 1.00 H new ATOM 753 N PHE A 50 3.922 -3.208 1.086 1.00 1.00 N ATOM 754 CA PHE A 50 2.835 -2.830 1.957 1.00 1.00 C ATOM 755 C PHE A 50 1.980 -4.055 2.199 1.00 1.00 C ATOM 756 O PHE A 50 1.756 -4.841 1.259 1.00 1.00 O ATOM 757 CB PHE A 50 2.007 -1.688 1.361 1.00 1.00 C ATOM 758 CG PHE A 50 1.251 -2.063 0.125 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.831 -1.921 -1.115 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.066 -2.491 0.172 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.144 -2.222 -2.261 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.749 -2.795 -0.989 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.143 -2.655 -2.210 1.00 1.00 C ATOM 0 H PHE A 50 3.680 -3.897 0.374 1.00 1.00 H new ATOM 0 HA PHE A 50 3.235 -2.461 2.901 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.301 -1.334 2.113 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.670 -0.855 1.130 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.848 -1.565 -1.186 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.563 -2.588 1.126 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.632 -2.114 -3.218 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.769 -3.146 -0.934 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.680 -2.885 -3.118 1.00 1.00 H new ATOM 773 N PRO A 51 1.510 -4.252 3.430 1.00 1.00 N ATOM 774 CA PRO A 51 0.680 -5.420 3.719 1.00 1.00 C ATOM 775 C PRO A 51 -0.589 -5.329 2.902 1.00 1.00 C ATOM 776 O PRO A 51 -1.233 -4.294 2.797 1.00 1.00 O ATOM 777 CB PRO A 51 0.412 -5.304 5.231 1.00 1.00 C ATOM 778 CG PRO A 51 1.475 -4.423 5.767 1.00 1.00 C ATOM 779 CD PRO A 51 1.764 -3.458 4.648 1.00 1.00 C ATOM 0 HA PRO A 51 1.137 -6.378 3.469 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.576 -4.884 5.421 1.00 1.00 H new ATOM 0 HB3 PRO A 51 0.439 -6.283 5.708 1.00 1.00 H new ATOM 0 HG2 PRO A 51 1.143 -3.902 6.665 1.00 1.00 H new ATOM 0 HG3 PRO A 51 2.363 -4.993 6.039 1.00 1.00 H new ATOM 0 HD2 PRO A 51 1.118 -2.582 4.697 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.792 -3.098 4.685 1.00 1.00 H new ATOM 787 N SER A 52 -0.952 -6.442 2.272 1.00 1.00 N ATOM 788 CA SER A 52 -2.121 -6.462 1.408 1.00 1.00 C ATOM 789 C SER A 52 -3.445 -6.268 2.137 1.00 1.00 C ATOM 790 O SER A 52 -4.455 -5.916 1.515 1.00 1.00 O ATOM 791 CB SER A 52 -2.142 -7.768 0.631 1.00 1.00 C ATOM 792 OG SER A 52 -2.212 -8.845 1.528 1.00 1.00 O ATOM 0 H SER A 52 -0.458 -7.331 2.344 1.00 1.00 H new ATOM 0 HA SER A 52 -2.027 -5.606 0.739 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.997 -7.788 -0.045 1.00 1.00 H new ATOM 0 HB3 SER A 52 -1.247 -7.852 0.015 1.00 1.00 H new ATOM 0 HG SER A 52 -1.450 -8.808 2.143 1.00 1.00 H new ATOM 798 N ASN A 53 -3.472 -6.464 3.450 1.00 1.00 N ATOM 799 CA ASN A 53 -4.717 -6.298 4.180 1.00 1.00 C ATOM 800 C ASN A 53 -5.038 -4.828 4.519 1.00 1.00 C ATOM 801 O ASN A 53 -6.072 -4.529 5.096 1.00 1.00 O ATOM 802 CB ASN A 53 -4.736 -7.199 5.452 1.00 1.00 C ATOM 803 CG ASN A 53 -3.540 -6.896 6.448 1.00 1.00 C ATOM 804 OD1 ASN A 53 -2.570 -6.278 6.064 1.00 1.00 O ATOM 805 ND2 ASN A 53 -3.651 -7.327 7.714 1.00 1.00 N ATOM 0 H ASN A 53 -2.667 -6.731 4.017 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.514 -6.625 3.512 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.681 -7.058 5.976 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.692 -8.245 5.149 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.906 -7.137 8.385 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -4.480 -7.844 8.006 1.00 1.00 H new ATOM 812 N TYR A 54 -4.177 -3.881 4.156 1.00 1.00 N ATOM 813 CA TYR A 54 -4.462 -2.477 4.436 1.00 1.00 C ATOM 814 C TYR A 54 -5.109 -1.740 3.262 1.00 1.00 C ATOM 815 O TYR A 54 -5.378 -0.555 3.390 1.00 1.00 O ATOM 816 CB TYR A 54 -3.214 -1.710 4.899 1.00 1.00 C ATOM 817 CG TYR A 54 -2.900 -1.924 6.346 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.307 -3.084 6.771 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.186 -0.952 7.299 1.00 1.00 C ATOM 820 CE1 TYR A 54 -1.999 -3.279 8.096 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.876 -1.143 8.629 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.282 -2.304 9.021 1.00 1.00 C ATOM 823 OH TYR A 54 -1.947 -2.519 10.346 1.00 1.00 O ATOM 0 H TYR A 54 -3.293 -4.054 3.677 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.186 -2.501 5.251 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.360 -2.020 4.298 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.361 -0.645 4.718 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.078 -3.858 6.053 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.659 -0.031 6.992 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -1.533 -4.201 8.411 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.103 -0.377 9.355 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.208 -1.740 10.880 1.00 1.00 H new ATOM 833 N VAL A 55 -5.327 -2.405 2.133 1.00 1.00 N ATOM 834 CA VAL A 55 -5.907 -1.754 0.957 1.00 1.00 C ATOM 835 C VAL A 55 -6.964 -2.619 0.301 1.00 1.00 C ATOM 836 O VAL A 55 -7.025 -3.829 0.508 1.00 1.00 O ATOM 837 CB VAL A 55 -4.822 -1.394 -0.116 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.612 -0.714 0.517 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.389 -2.616 -0.870 1.00 1.00 C ATOM 0 H VAL A 55 -5.112 -3.394 2.004 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.364 -0.835 1.324 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.279 -0.693 -0.815 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -2.881 -0.479 -0.256 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -3.928 0.206 1.009 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.162 -1.382 1.251 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.636 -2.340 -1.608 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.967 -3.342 -0.175 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -5.249 -3.055 -1.375 1.00 1.00 H new ATOM 849 N SER A 56 -7.785 -1.985 -0.520 1.00 1.00 N ATOM 850 CA SER A 56 -8.819 -2.638 -1.291 1.00 1.00 C ATOM 851 C SER A 56 -8.672 -2.221 -2.756 1.00 1.00 C ATOM 852 O SER A 56 -8.503 -1.045 -3.011 1.00 1.00 O ATOM 853 CB SER A 56 -10.171 -2.211 -0.754 1.00 1.00 C ATOM 854 OG SER A 56 -10.283 -0.817 -0.797 1.00 1.00 O ATOM 0 H SER A 56 -7.746 -0.977 -0.669 1.00 1.00 H new ATOM 0 HA SER A 56 -8.732 -3.722 -1.216 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.966 -2.667 -1.344 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.292 -2.563 0.271 1.00 1.00 H new ATOM 0 HG SER A 56 -9.641 -0.457 -1.444 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.179 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.101 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.602 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.981 -5.228 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.060 -5.992 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.624 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.445 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.805 -4.172 -3.497 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.325 -5.157 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.973 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.206 -3.732 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.526 -4.682 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.590 -7.675 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.232 -5.221 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.629 -3.937 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.724 -4.582 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.434 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.016 -7.031 1.00 1.00 C ATOM 881 C GLY A 58 -10.581 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.806 -6.712 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 0.528 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.529 -7.455 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.723 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.061 -4.086 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.391 5.199 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.643 -5.545 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.901 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.050 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.134 1.535 -7.347 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.341 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.440 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.860 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.068 6.843 -7.727 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.896 5.498 -8.518 1.00 1.00 H new