USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 32 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.234 K(o=-0.23,f=-4!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.198 X(o=0.2,f=-0.15) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.129) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc=-0.000928 (180deg=-0.0579) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -149:sc= 0 (180deg=-0.153) USER MOD Single : A 84 SER OG : rot 108:sc= -0.758! USER MOD Single : A 85 THR OG1 : rot 63:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 0.689 (180deg=0.239!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -158:sc= -0.0111 (180deg=-0.496) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -19.084 16.317 -12.930 1.00 0.00 N ATOM 2 CA PHE A 31 -18.698 14.998 -12.381 1.00 0.00 C ATOM 3 C PHE A 31 -17.546 14.413 -13.205 1.00 0.00 C ATOM 4 O PHE A 31 -17.465 14.732 -14.387 1.00 0.00 O ATOM 5 CB PHE A 31 -19.903 14.047 -12.357 1.00 0.00 C ATOM 6 CG PHE A 31 -19.569 12.663 -11.836 1.00 0.00 C ATOM 7 CD1 PHE A 31 -19.345 12.462 -10.459 1.00 0.00 C ATOM 8 CD2 PHE A 31 -19.423 11.586 -12.734 1.00 0.00 C ATOM 9 CE1 PHE A 31 -18.976 11.190 -9.986 1.00 0.00 C ATOM 10 CE2 PHE A 31 -19.053 10.317 -12.258 1.00 0.00 C ATOM 11 CZ PHE A 31 -18.828 10.120 -10.885 1.00 0.00 C ATOM 0 HA PHE A 31 -18.360 15.125 -11.353 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.687 14.481 -11.736 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -20.307 13.959 -13.365 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.457 13.284 -9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.596 11.737 -13.789 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -18.806 11.035 -8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.942 9.493 -12.947 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.541 9.145 -10.520 1.00 0.00 H new ATOM 21 N ASN A 32 -16.671 13.592 -12.608 1.00 0.00 N ATOM 22 CA ASN A 32 -15.648 12.776 -13.285 1.00 0.00 C ATOM 23 C ASN A 32 -15.005 11.763 -12.307 1.00 0.00 C ATOM 24 O ASN A 32 -15.208 11.866 -11.093 1.00 0.00 O ATOM 25 CB ASN A 32 -14.588 13.677 -13.966 1.00 0.00 C ATOM 26 CG ASN A 32 -14.488 13.374 -15.453 1.00 0.00 C ATOM 27 OD1 ASN A 32 -13.612 12.664 -15.907 1.00 0.00 O ATOM 28 ND2 ASN A 32 -15.422 13.854 -16.237 1.00 0.00 N ATOM 0 H ASN A 32 -16.654 13.472 -11.595 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.136 12.197 -14.069 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.850 14.725 -13.822 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.618 13.523 -13.494 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.416 13.632 -17.233 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.155 14.449 -15.852 1.00 0.00 H new ATOM 35 N VAL A 33 -14.214 10.821 -12.844 1.00 0.00 N ATOM 36 CA VAL A 33 -13.453 9.761 -12.137 1.00 0.00 C ATOM 37 C VAL A 33 -12.333 9.215 -13.046 1.00 0.00 C ATOM 38 O VAL A 33 -12.486 9.222 -14.270 1.00 0.00 O ATOM 39 CB VAL A 33 -14.339 8.552 -11.732 1.00 0.00 C ATOM 40 CG1 VAL A 33 -15.169 8.804 -10.470 1.00 0.00 C ATOM 41 CG2 VAL A 33 -15.303 8.083 -12.832 1.00 0.00 C ATOM 0 H VAL A 33 -14.075 10.770 -13.853 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.054 10.229 -11.237 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.604 7.769 -11.544 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.765 7.920 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.504 9.017 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -15.831 9.655 -10.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.885 7.236 -12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -15.976 8.898 -13.098 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.733 7.782 -13.711 1.00 0.00 H new ATOM 51 N SER A 34 -11.225 8.698 -12.493 1.00 0.00 N ATOM 52 CA SER A 34 -10.177 7.977 -13.255 1.00 0.00 C ATOM 53 C SER A 34 -9.330 7.030 -12.372 1.00 0.00 C ATOM 54 O SER A 34 -9.480 7.021 -11.151 1.00 0.00 O ATOM 55 CB SER A 34 -9.280 8.978 -14.013 1.00 0.00 C ATOM 56 OG SER A 34 -8.333 9.605 -13.173 1.00 0.00 O ATOM 0 H SER A 34 -11.023 8.766 -11.495 1.00 0.00 H new ATOM 0 HA SER A 34 -10.690 7.341 -13.977 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.759 8.457 -14.816 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.905 9.739 -14.480 1.00 0.00 H new ATOM 0 HG SER A 34 -7.789 10.227 -13.700 1.00 0.00 H new ATOM 62 N ASN A 35 -8.423 6.259 -12.995 1.00 0.00 N ATOM 63 CA ASN A 35 -7.507 5.261 -12.395 1.00 0.00 C ATOM 64 C ASN A 35 -8.190 4.100 -11.611 1.00 0.00 C ATOM 65 O ASN A 35 -9.394 3.886 -11.739 1.00 0.00 O ATOM 66 CB ASN A 35 -6.392 6.004 -11.615 1.00 0.00 C ATOM 67 CG ASN A 35 -5.083 5.218 -11.523 1.00 0.00 C ATOM 68 OD1 ASN A 35 -4.963 4.112 -12.022 1.00 0.00 O ATOM 69 ND2 ASN A 35 -4.069 5.739 -10.883 1.00 0.00 N ATOM 0 H ASN A 35 -8.298 6.317 -14.006 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.048 4.706 -13.213 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.198 6.962 -12.098 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.747 6.221 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.194 5.221 -10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.153 6.663 -10.460 1.00 0.00 H new ATOM 76 N ALA A 36 -7.409 3.296 -10.867 1.00 0.00 N ATOM 77 CA ALA A 36 -7.902 2.260 -9.949 1.00 0.00 C ATOM 78 C ALA A 36 -8.719 2.845 -8.781 1.00 0.00 C ATOM 79 O ALA A 36 -9.849 2.422 -8.565 1.00 0.00 O ATOM 80 CB ALA A 36 -6.722 1.429 -9.399 1.00 0.00 C ATOM 0 H ALA A 36 -6.391 3.353 -10.890 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.570 1.618 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.100 0.665 -8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.196 0.952 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.035 2.083 -8.862 1.00 0.00 H new ATOM 86 N GLU A 37 -8.128 3.782 -8.032 1.00 0.00 N ATOM 87 CA GLU A 37 -8.671 4.394 -6.808 1.00 0.00 C ATOM 88 C GLU A 37 -7.721 5.493 -6.276 1.00 0.00 C ATOM 89 O GLU A 37 -6.686 5.764 -6.895 1.00 0.00 O ATOM 90 CB GLU A 37 -8.994 3.322 -5.736 1.00 0.00 C ATOM 91 CG GLU A 37 -7.947 2.222 -5.491 1.00 0.00 C ATOM 92 CD GLU A 37 -6.610 2.712 -4.934 1.00 0.00 C ATOM 93 OE1 GLU A 37 -6.690 3.527 -3.959 1.00 0.00 O ATOM 94 OE2 GLU A 37 -5.551 2.291 -5.382 1.00 0.00 O ATOM 0 H GLU A 37 -7.210 4.155 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.615 4.878 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.170 3.835 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.930 2.839 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.365 1.491 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.763 1.702 -6.431 1.00 0.00 H new ATOM 101 N LEU A 38 -8.080 6.121 -5.140 1.00 0.00 N ATOM 102 CA LEU A 38 -7.255 7.070 -4.359 1.00 0.00 C ATOM 103 C LEU A 38 -7.177 6.698 -2.847 1.00 0.00 C ATOM 104 O LEU A 38 -6.682 7.471 -2.024 1.00 0.00 O ATOM 105 CB LEU A 38 -7.806 8.513 -4.516 1.00 0.00 C ATOM 106 CG LEU A 38 -7.596 9.289 -5.832 1.00 0.00 C ATOM 107 CD1 LEU A 38 -6.146 9.272 -6.317 1.00 0.00 C ATOM 108 CD2 LEU A 38 -8.516 8.866 -6.977 1.00 0.00 C ATOM 0 H LEU A 38 -8.998 5.975 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.243 7.012 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.880 8.469 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.372 9.112 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.867 10.309 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.067 9.835 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.504 9.726 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.832 8.242 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.296 9.465 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.354 7.812 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.555 9.018 -6.684 1.00 0.00 H new ATOM 120 N ILE A 39 -7.677 5.521 -2.452 1.00 0.00 N ATOM 121 CA ILE A 39 -7.655 5.020 -1.066 1.00 0.00 C ATOM 122 C ILE A 39 -6.205 4.795 -0.611 1.00 0.00 C ATOM 123 O ILE A 39 -5.797 5.270 0.455 1.00 0.00 O ATOM 124 CB ILE A 39 -8.497 3.726 -0.937 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.955 4.025 -1.362 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.436 3.178 0.505 1.00 0.00 C ATOM 127 CD1 ILE A 39 -10.914 2.842 -1.222 1.00 0.00 C ATOM 0 H ILE A 39 -8.120 4.871 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.104 5.768 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.088 2.958 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.332 4.854 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.956 4.356 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.034 2.269 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.402 2.953 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.829 3.925 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.912 3.143 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.567 2.017 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.948 2.522 -0.180 1.00 0.00 H new ATOM 139 N VAL A 40 -5.398 4.129 -1.449 1.00 0.00 N ATOM 140 CA VAL A 40 -3.961 3.913 -1.198 1.00 0.00 C ATOM 141 C VAL A 40 -3.220 5.245 -1.081 1.00 0.00 C ATOM 142 O VAL A 40 -2.355 5.399 -0.218 1.00 0.00 O ATOM 143 CB VAL A 40 -3.301 3.009 -2.269 1.00 0.00 C ATOM 144 CG1 VAL A 40 -3.999 1.642 -2.326 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.233 3.629 -3.676 1.00 0.00 C ATOM 0 H VAL A 40 -5.723 3.722 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.884 3.387 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.266 2.890 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.522 1.021 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.922 1.153 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.050 1.780 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.756 2.927 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.242 3.849 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.653 4.551 -3.640 1.00 0.00 H new ATOM 155 N MET A 41 -3.615 6.229 -1.898 1.00 0.00 N ATOM 156 CA MET A 41 -3.015 7.565 -1.919 1.00 0.00 C ATOM 157 C MET A 41 -3.244 8.339 -0.608 1.00 0.00 C ATOM 158 O MET A 41 -2.424 9.183 -0.263 1.00 0.00 O ATOM 159 CB MET A 41 -3.532 8.352 -3.140 1.00 0.00 C ATOM 160 CG MET A 41 -2.470 9.319 -3.678 1.00 0.00 C ATOM 161 SD MET A 41 -1.072 8.488 -4.491 1.00 0.00 S ATOM 162 CE MET A 41 0.029 9.905 -4.762 1.00 0.00 C ATOM 0 H MET A 41 -4.372 6.116 -2.572 1.00 0.00 H new ATOM 0 HA MET A 41 -1.936 7.443 -2.008 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.823 7.655 -3.926 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.426 8.910 -2.862 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.938 10.001 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.092 9.925 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.941 9.568 -5.256 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.473 10.641 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.282 10.358 -3.803 1.00 0.00 H new ATOM 172 N ARG A 42 -4.304 8.028 0.158 1.00 0.00 N ATOM 173 CA ARG A 42 -4.559 8.663 1.463 1.00 0.00 C ATOM 174 C ARG A 42 -3.933 7.917 2.644 1.00 0.00 C ATOM 175 O ARG A 42 -3.130 8.523 3.356 1.00 0.00 O ATOM 176 CB ARG A 42 -6.068 8.830 1.695 1.00 0.00 C ATOM 177 CG ARG A 42 -6.687 9.986 0.894 1.00 0.00 C ATOM 178 CD ARG A 42 -8.078 10.264 1.475 1.00 0.00 C ATOM 179 NE ARG A 42 -8.753 11.436 0.880 1.00 0.00 N ATOM 180 CZ ARG A 42 -9.889 11.945 1.325 1.00 0.00 C ATOM 181 NH1 ARG A 42 -10.463 11.491 2.403 1.00 0.00 N ATOM 182 NH2 ARG A 42 -10.443 12.937 0.695 1.00 0.00 N ATOM 0 H ARG A 42 -5.003 7.335 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.076 9.639 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.573 7.902 1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.248 8.997 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.060 10.875 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.759 9.724 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.704 9.384 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.988 10.416 2.551 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.314 11.881 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.036 10.725 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.339 11.901 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.001 13.321 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.320 13.332 1.036 1.00 0.00 H new ATOM 196 N VAL A 43 -4.255 6.632 2.857 1.00 0.00 N ATOM 197 CA VAL A 43 -3.892 5.968 4.134 1.00 0.00 C ATOM 198 C VAL A 43 -2.384 5.956 4.409 1.00 0.00 C ATOM 199 O VAL A 43 -1.951 6.224 5.529 1.00 0.00 O ATOM 200 CB VAL A 43 -4.521 4.569 4.349 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.014 4.532 3.986 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.801 3.408 3.640 1.00 0.00 C ATOM 0 H VAL A 43 -4.750 6.041 2.189 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.353 6.610 4.884 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.396 4.409 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.405 3.529 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.557 5.243 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.140 4.798 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.320 2.473 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.799 3.584 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.774 3.343 3.999 1.00 0.00 H new ATOM 212 N ILE A 44 -1.577 5.710 3.371 1.00 0.00 N ATOM 213 CA ILE A 44 -0.108 5.629 3.461 1.00 0.00 C ATOM 214 C ILE A 44 0.515 7.006 3.683 1.00 0.00 C ATOM 215 O ILE A 44 1.381 7.180 4.542 1.00 0.00 O ATOM 216 CB ILE A 44 0.439 5.042 2.145 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.052 3.592 2.000 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.976 5.128 2.105 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.114 3.048 0.576 1.00 0.00 C ATOM 0 H ILE A 44 -1.929 5.558 2.426 1.00 0.00 H new ATOM 0 HA ILE A 44 0.150 4.995 4.309 1.00 0.00 H new ATOM 0 HB ILE A 44 0.067 5.624 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.498 2.956 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.103 3.539 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.340 4.708 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.284 6.171 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.394 4.566 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.249 2.021 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.458 3.664 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.168 3.072 0.298 1.00 0.00 H new ATOM 231 N TRP A 45 0.053 7.980 2.898 1.00 0.00 N ATOM 232 CA TRP A 45 0.533 9.359 2.954 1.00 0.00 C ATOM 233 C TRP A 45 0.358 9.953 4.355 1.00 0.00 C ATOM 234 O TRP A 45 1.163 10.762 4.808 1.00 0.00 O ATOM 235 CB TRP A 45 -0.214 10.175 1.890 1.00 0.00 C ATOM 236 CG TRP A 45 -0.018 11.655 1.975 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.726 12.473 2.786 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.953 12.510 1.293 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.239 13.753 2.696 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.806 13.840 1.796 1.00 0.00 C ATOM 241 CE3 TRP A 45 1.950 12.296 0.318 1.00 0.00 C ATOM 242 CZ2 TRP A 45 1.628 14.896 1.376 1.00 0.00 C ATOM 243 CZ3 TRP A 45 2.787 13.353 -0.108 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.635 14.645 0.422 1.00 0.00 C ATOM 0 H TRP A 45 -0.673 7.831 2.198 1.00 0.00 H new ATOM 0 HA TRP A 45 1.602 9.387 2.743 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.106 9.837 0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.279 9.960 1.970 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.551 12.165 3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.604 14.543 3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.076 11.312 -0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.491 15.889 1.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.551 13.165 -0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.287 15.443 0.100 1.00 0.00 H new ATOM 255 N SER A 46 -0.696 9.531 5.054 1.00 0.00 N ATOM 256 CA SER A 46 -1.071 10.112 6.354 1.00 0.00 C ATOM 257 C SER A 46 -0.181 9.649 7.508 1.00 0.00 C ATOM 258 O SER A 46 0.050 10.395 8.456 1.00 0.00 O ATOM 259 CB SER A 46 -2.520 9.740 6.687 1.00 0.00 C ATOM 260 OG SER A 46 -2.919 10.310 7.928 1.00 0.00 O ATOM 0 H SER A 46 -1.314 8.782 4.742 1.00 0.00 H new ATOM 0 HA SER A 46 -0.946 11.190 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.181 10.089 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.620 8.656 6.732 1.00 0.00 H new ATOM 0 HG SER A 46 -3.847 10.061 8.119 1.00 0.00 H new ATOM 266 N LEU A 47 0.193 8.371 7.489 1.00 0.00 N ATOM 267 CA LEU A 47 0.852 7.666 8.555 1.00 0.00 C ATOM 268 C LEU A 47 2.344 8.014 8.667 1.00 0.00 C ATOM 269 O LEU A 47 2.820 8.373 9.744 1.00 0.00 O ATOM 270 CB LEU A 47 0.548 6.205 8.202 1.00 0.00 C ATOM 271 CG LEU A 47 0.437 5.304 9.424 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.516 4.176 9.059 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.814 4.778 9.774 1.00 0.00 C ATOM 0 H LEU A 47 0.029 7.777 6.676 1.00 0.00 H new ATOM 0 HA LEU A 47 0.502 7.928 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.385 6.160 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.333 5.825 7.548 1.00 0.00 H new ATOM 0 HG LEU A 47 0.056 5.837 10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.626 3.503 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.489 4.592 8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.117 3.624 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.745 4.131 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.211 4.210 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.478 5.614 9.993 1.00 0.00 H new ATOM 285 N GLY A 48 3.056 7.946 7.541 1.00 0.00 N ATOM 286 CA GLY A 48 4.495 8.204 7.413 1.00 0.00 C ATOM 287 C GLY A 48 5.222 6.979 6.869 1.00 0.00 C ATOM 288 O GLY A 48 5.537 6.922 5.683 1.00 0.00 O ATOM 0 H GLY A 48 2.626 7.698 6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.659 9.053 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.908 8.475 8.385 1.00 0.00 H new ATOM 292 N GLU A 49 5.371 5.950 7.709 1.00 0.00 N ATOM 293 CA GLU A 49 5.875 4.630 7.317 1.00 0.00 C ATOM 294 C GLU A 49 4.852 3.548 7.698 1.00 0.00 C ATOM 295 O GLU A 49 4.627 3.269 8.877 1.00 0.00 O ATOM 296 CB GLU A 49 7.205 4.288 8.017 1.00 0.00 C ATOM 297 CG GLU A 49 8.456 5.022 7.527 1.00 0.00 C ATOM 298 CD GLU A 49 8.631 6.448 8.082 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.305 6.588 9.154 1.00 0.00 O ATOM 300 OE2 GLU A 49 8.314 7.416 7.388 1.00 0.00 O ATOM 0 H GLU A 49 5.140 6.013 8.701 1.00 0.00 H new ATOM 0 HA GLU A 49 6.038 4.658 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.089 4.489 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.378 3.217 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.333 4.433 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.427 5.073 6.439 1.00 0.00 H new ATOM 307 N ALA A 50 4.318 2.863 6.687 1.00 0.00 N ATOM 308 CA ALA A 50 3.413 1.714 6.852 1.00 0.00 C ATOM 309 C ALA A 50 4.047 0.465 6.214 1.00 0.00 C ATOM 310 O ALA A 50 5.016 0.599 5.478 1.00 0.00 O ATOM 311 CB ALA A 50 2.068 2.086 6.213 1.00 0.00 C ATOM 0 H ALA A 50 4.503 3.091 5.710 1.00 0.00 H new ATOM 0 HA ALA A 50 3.245 1.478 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.372 1.253 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.659 2.965 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.216 2.304 5.155 1.00 0.00 H new ATOM 317 N ARG A 51 3.563 -0.761 6.462 1.00 0.00 N ATOM 318 CA ARG A 51 3.992 -1.942 5.672 1.00 0.00 C ATOM 319 C ARG A 51 2.889 -2.491 4.783 1.00 0.00 C ATOM 320 O ARG A 51 1.731 -2.124 4.926 1.00 0.00 O ATOM 321 CB ARG A 51 4.689 -3.039 6.492 1.00 0.00 C ATOM 322 CG ARG A 51 3.928 -3.670 7.642 1.00 0.00 C ATOM 323 CD ARG A 51 4.146 -2.983 8.982 1.00 0.00 C ATOM 324 NE ARG A 51 3.639 -3.882 10.043 1.00 0.00 N ATOM 325 CZ ARG A 51 3.997 -3.920 11.314 1.00 0.00 C ATOM 326 NH1 ARG A 51 4.956 -3.174 11.784 1.00 0.00 N ATOM 327 NH2 ARG A 51 3.457 -4.773 12.134 1.00 0.00 N ATOM 0 H ARG A 51 2.882 -0.967 7.193 1.00 0.00 H new ATOM 0 HA ARG A 51 4.766 -1.556 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.975 -3.836 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.611 -2.618 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.863 -3.658 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.224 -4.715 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.204 -2.772 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.623 -2.027 9.010 1.00 0.00 H new ATOM 0 HE ARG A 51 2.926 -4.554 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.456 -2.536 11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.207 -3.228 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.747 -5.424 11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.743 -4.791 13.113 1.00 0.00 H new ATOM 341 N VAL A 52 3.221 -3.438 3.912 1.00 0.00 N ATOM 342 CA VAL A 52 2.243 -4.209 3.146 1.00 0.00 C ATOM 343 C VAL A 52 1.166 -4.873 3.989 1.00 0.00 C ATOM 344 O VAL A 52 0.005 -4.880 3.591 1.00 0.00 O ATOM 345 CB VAL A 52 2.931 -5.214 2.221 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.334 -5.606 2.693 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.152 -6.499 2.017 1.00 0.00 C ATOM 0 H VAL A 52 4.188 -3.696 3.714 1.00 0.00 H new ATOM 0 HA VAL A 52 1.713 -3.478 2.535 1.00 0.00 H new ATOM 0 HB VAL A 52 2.988 -4.673 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.767 -6.321 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.964 -4.717 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.272 -6.059 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.706 -7.158 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.008 -6.993 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.181 -6.270 1.577 1.00 0.00 H new ATOM 357 N ASP A 53 1.525 -5.446 5.132 1.00 0.00 N ATOM 358 CA ASP A 53 0.508 -5.991 6.034 1.00 0.00 C ATOM 359 C ASP A 53 -0.281 -4.918 6.805 1.00 0.00 C ATOM 360 O ASP A 53 -1.339 -5.208 7.345 1.00 0.00 O ATOM 361 CB ASP A 53 0.958 -7.296 6.693 1.00 0.00 C ATOM 362 CG ASP A 53 1.854 -7.252 7.927 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.556 -6.253 8.181 1.00 0.00 O ATOM 364 OD2 ASP A 53 2.005 -8.328 8.546 1.00 0.00 O ATOM 0 H ASP A 53 2.488 -5.546 5.454 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.341 -6.377 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.059 -7.851 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.478 -7.881 5.934 1.00 0.00 H new ATOM 369 N GLU A 54 0.218 -3.675 6.831 1.00 0.00 N ATOM 370 CA GLU A 54 -0.508 -2.493 7.325 1.00 0.00 C ATOM 371 C GLU A 54 -1.528 -1.948 6.305 1.00 0.00 C ATOM 372 O GLU A 54 -2.719 -1.871 6.571 1.00 0.00 O ATOM 373 CB GLU A 54 0.517 -1.406 7.680 1.00 0.00 C ATOM 374 CG GLU A 54 0.161 -0.617 8.945 1.00 0.00 C ATOM 375 CD GLU A 54 -1.219 0.047 8.891 1.00 0.00 C ATOM 376 OE1 GLU A 54 -1.523 0.670 7.847 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.958 -0.058 9.898 1.00 0.00 O ATOM 0 H GLU A 54 1.158 -3.456 6.502 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.081 -2.790 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.494 -1.870 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.605 -0.714 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.198 -1.288 9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.917 0.151 9.108 1.00 0.00 H new ATOM 384 N ILE A 55 -1.090 -1.629 5.084 1.00 0.00 N ATOM 385 CA ILE A 55 -1.944 -0.991 4.059 1.00 0.00 C ATOM 386 C ILE A 55 -3.203 -1.800 3.753 1.00 0.00 C ATOM 387 O ILE A 55 -4.284 -1.230 3.668 1.00 0.00 O ATOM 388 CB ILE A 55 -1.180 -0.725 2.752 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.623 -2.049 2.228 1.00 0.00 C ATOM 390 CG2 ILE A 55 -0.044 0.279 2.965 1.00 0.00 C ATOM 391 CD1 ILE A 55 0.422 -1.925 1.161 1.00 0.00 C ATOM 0 H ILE A 55 -0.135 -1.803 4.771 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.247 -0.037 4.492 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.866 -0.293 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.200 -2.603 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.449 -2.643 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.476 0.445 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.455 1.223 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.657 -0.115 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.752 -2.919 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.003 -1.403 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.272 -1.363 1.548 1.00 0.00 H new ATOM 403 N TYR A 56 -3.088 -3.132 3.648 1.00 0.00 N ATOM 404 CA TYR A 56 -4.212 -4.046 3.549 1.00 0.00 C ATOM 405 C TYR A 56 -5.141 -4.040 4.766 1.00 0.00 C ATOM 406 O TYR A 56 -6.348 -4.159 4.631 1.00 0.00 O ATOM 407 CB TYR A 56 -3.610 -5.427 3.359 1.00 0.00 C ATOM 408 CG TYR A 56 -4.657 -6.505 3.282 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.636 -6.461 2.273 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.680 -7.496 4.273 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.683 -7.406 2.271 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.730 -8.441 4.287 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.737 -8.385 3.291 1.00 0.00 C ATOM 414 OH TYR A 56 -7.735 -9.308 3.277 1.00 0.00 O ATOM 0 H TYR A 56 -2.184 -3.605 3.630 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.846 -3.735 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.014 -5.438 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.932 -5.641 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.586 -5.706 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.901 -7.537 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.437 -7.383 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.765 -9.202 5.052 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.633 -9.911 4.043 1.00 0.00 H new ATOM 424 N ALA A 57 -4.583 -3.853 5.951 1.00 0.00 N ATOM 425 CA ALA A 57 -5.365 -3.693 7.177 1.00 0.00 C ATOM 426 C ALA A 57 -6.261 -2.440 7.131 1.00 0.00 C ATOM 427 O ALA A 57 -7.299 -2.398 7.801 1.00 0.00 O ATOM 428 CB ALA A 57 -4.432 -3.663 8.392 1.00 0.00 C ATOM 0 H ALA A 57 -3.574 -3.807 6.095 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.032 -4.551 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.022 -3.544 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.871 -4.596 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.738 -2.828 8.297 1.00 0.00 H new ATOM 434 N GLN A 58 -5.882 -1.440 6.315 1.00 0.00 N ATOM 435 CA GLN A 58 -6.623 -0.210 6.126 1.00 0.00 C ATOM 436 C GLN A 58 -7.733 -0.322 5.066 1.00 0.00 C ATOM 437 O GLN A 58 -8.480 0.636 4.859 1.00 0.00 O ATOM 438 CB GLN A 58 -5.584 0.857 5.781 1.00 0.00 C ATOM 439 CG GLN A 58 -5.501 2.031 6.751 1.00 0.00 C ATOM 440 CD GLN A 58 -5.303 1.571 8.194 1.00 0.00 C ATOM 441 OE1 GLN A 58 -6.165 1.697 9.062 1.00 0.00 O ATOM 442 NE2 GLN A 58 -4.197 0.926 8.460 1.00 0.00 N ATOM 0 H GLN A 58 -5.027 -1.480 5.760 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.167 0.050 7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.604 0.382 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.804 1.245 4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.676 2.682 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.413 2.623 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.482 0.821 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.049 0.528 9.387 1.00 0.00 H new ATOM 451 N ILE A 59 -7.832 -1.473 4.392 1.00 0.00 N ATOM 452 CA ILE A 59 -8.774 -1.808 3.327 1.00 0.00 C ATOM 453 C ILE A 59 -9.907 -2.652 3.941 1.00 0.00 C ATOM 454 O ILE A 59 -9.733 -3.853 4.132 1.00 0.00 O ATOM 455 CB ILE A 59 -7.967 -2.509 2.205 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.991 -1.451 1.623 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.827 -3.063 1.060 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.069 -2.000 0.548 1.00 0.00 C ATOM 0 H ILE A 59 -7.206 -2.252 4.595 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.257 -0.942 2.874 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.464 -3.369 2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.569 -0.626 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.387 -1.041 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.184 -3.537 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.529 -3.798 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.380 -2.248 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.416 -1.205 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.464 -2.806 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.664 -2.384 -0.281 1.00 0.00 H new ATOM 470 N PRO A 60 -11.054 -2.058 4.329 1.00 0.00 N ATOM 471 CA PRO A 60 -12.102 -2.765 5.070 1.00 0.00 C ATOM 472 C PRO A 60 -12.950 -3.700 4.189 1.00 0.00 C ATOM 473 O PRO A 60 -13.014 -3.548 2.965 1.00 0.00 O ATOM 474 CB PRO A 60 -12.961 -1.651 5.684 1.00 0.00 C ATOM 475 CG PRO A 60 -12.845 -0.526 4.655 1.00 0.00 C ATOM 476 CD PRO A 60 -11.404 -0.660 4.169 1.00 0.00 C ATOM 0 HA PRO A 60 -11.666 -3.428 5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.995 -1.967 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.588 -1.345 6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.559 -0.647 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.032 0.451 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.314 -0.352 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.736 -0.022 4.748 1.00 0.00 H new ATOM 484 N GLN A 61 -13.700 -4.605 4.839 1.00 0.00 N ATOM 485 CA GLN A 61 -14.727 -5.465 4.217 1.00 0.00 C ATOM 486 C GLN A 61 -15.729 -4.717 3.321 1.00 0.00 C ATOM 487 O GLN A 61 -16.213 -5.275 2.346 1.00 0.00 O ATOM 488 CB GLN A 61 -15.483 -6.222 5.325 1.00 0.00 C ATOM 489 CG GLN A 61 -14.785 -7.515 5.780 1.00 0.00 C ATOM 490 CD GLN A 61 -15.166 -8.721 4.912 1.00 0.00 C ATOM 491 OE1 GLN A 61 -16.321 -9.047 4.737 1.00 0.00 O ATOM 492 NE2 GLN A 61 -14.222 -9.426 4.347 1.00 0.00 N ATOM 0 H GLN A 61 -13.608 -4.765 5.842 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.197 -6.150 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.604 -5.563 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.483 -6.466 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.705 -7.373 5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.047 -7.720 6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.244 -9.169 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.463 -10.233 3.772 1.00 0.00 H new ATOM 501 N GLU A 62 -15.988 -3.439 3.613 1.00 0.00 N ATOM 502 CA GLU A 62 -16.828 -2.511 2.833 1.00 0.00 C ATOM 503 C GLU A 62 -16.435 -2.392 1.345 1.00 0.00 C ATOM 504 O GLU A 62 -17.287 -2.103 0.506 1.00 0.00 O ATOM 505 CB GLU A 62 -16.794 -1.148 3.561 1.00 0.00 C ATOM 506 CG GLU A 62 -17.769 -0.110 2.994 1.00 0.00 C ATOM 507 CD GLU A 62 -17.905 1.139 3.890 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.318 1.014 5.067 1.00 0.00 O ATOM 509 OE2 GLU A 62 -17.594 2.261 3.414 1.00 0.00 O ATOM 0 H GLU A 62 -15.598 -2.995 4.444 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.843 -2.906 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.021 -1.306 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.782 -0.746 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.432 0.195 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.749 -0.570 2.869 1.00 0.00 H new ATOM 516 N LEU A 63 -15.162 -2.647 1.024 1.00 0.00 N ATOM 517 CA LEU A 63 -14.587 -2.653 -0.337 1.00 0.00 C ATOM 518 C LEU A 63 -14.592 -4.024 -1.020 1.00 0.00 C ATOM 519 O LEU A 63 -14.529 -4.126 -2.239 1.00 0.00 O ATOM 520 CB LEU A 63 -13.118 -2.220 -0.260 1.00 0.00 C ATOM 521 CG LEU A 63 -12.870 -0.876 0.426 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.373 -0.629 0.393 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.619 0.235 -0.283 1.00 0.00 C ATOM 0 H LEU A 63 -14.466 -2.866 1.737 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.214 -1.978 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.557 -2.989 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.716 -2.173 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.232 -0.894 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.151 0.324 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.860 -1.432 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.032 -0.601 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.428 1.182 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.280 0.300 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.688 0.023 -0.264 1.00 0.00 H new ATOM 535 N GLU A 64 -14.609 -5.065 -0.198 1.00 0.00 N ATOM 536 CA GLU A 64 -14.654 -6.504 -0.541 1.00 0.00 C ATOM 537 C GLU A 64 -13.342 -7.088 -1.140 1.00 0.00 C ATOM 538 O GLU A 64 -13.355 -8.162 -1.741 1.00 0.00 O ATOM 539 CB GLU A 64 -15.880 -6.830 -1.429 1.00 0.00 C ATOM 540 CG GLU A 64 -17.222 -6.305 -0.885 1.00 0.00 C ATOM 541 CD GLU A 64 -18.451 -6.768 -1.686 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.330 -7.508 -2.696 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.592 -6.463 -1.261 1.00 0.00 O ATOM 0 H GLU A 64 -14.590 -4.927 0.812 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.762 -7.013 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.716 -6.410 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.949 -7.911 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.334 -6.629 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.197 -5.215 -0.877 1.00 0.00 H new ATOM 550 N TRP A 65 -12.201 -6.396 -1.024 1.00 0.00 N ATOM 551 CA TRP A 65 -10.942 -6.760 -1.715 1.00 0.00 C ATOM 552 C TRP A 65 -10.153 -7.943 -1.113 1.00 0.00 C ATOM 553 O TRP A 65 -9.981 -8.057 0.104 1.00 0.00 O ATOM 554 CB TRP A 65 -10.007 -5.538 -1.787 1.00 0.00 C ATOM 555 CG TRP A 65 -10.362 -4.449 -2.760 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.558 -4.267 -3.369 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.494 -3.392 -3.290 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.510 -3.160 -4.186 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.243 -2.620 -4.234 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.150 -3.023 -3.083 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.670 -1.576 -4.972 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -7.563 -1.972 -3.824 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.305 -1.283 -4.798 1.00 0.00 C ATOM 0 H TRP A 65 -12.118 -5.560 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 65 -11.268 -7.092 -2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.954 -5.096 -0.792 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.006 -5.894 -2.031 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.424 -4.899 -3.233 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.312 -2.786 -4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.560 -3.550 -2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.268 -1.004 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.535 -1.696 -3.640 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.829 -0.531 -5.411 1.00 0.00 H new ATOM 574 N SER A 66 -9.549 -8.755 -1.994 1.00 0.00 N ATOM 575 CA SER A 66 -8.590 -9.821 -1.647 1.00 0.00 C ATOM 576 C SER A 66 -7.145 -9.303 -1.525 1.00 0.00 C ATOM 577 O SER A 66 -6.759 -8.341 -2.193 1.00 0.00 O ATOM 578 CB SER A 66 -8.629 -10.917 -2.718 1.00 0.00 C ATOM 579 OG SER A 66 -9.893 -11.553 -2.711 1.00 0.00 O ATOM 0 H SER A 66 -9.718 -8.688 -2.998 1.00 0.00 H new ATOM 0 HA SER A 66 -8.889 -10.212 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.435 -10.485 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.843 -11.649 -2.531 1.00 0.00 H new ATOM 0 HG SER A 66 -9.912 -12.251 -3.399 1.00 0.00 H new ATOM 585 N LEU A 67 -6.300 -9.954 -0.709 1.00 0.00 N ATOM 586 CA LEU A 67 -4.948 -9.488 -0.421 1.00 0.00 C ATOM 587 C LEU A 67 -4.059 -9.361 -1.665 1.00 0.00 C ATOM 588 O LEU A 67 -3.253 -8.433 -1.767 1.00 0.00 O ATOM 589 CB LEU A 67 -4.304 -10.427 0.604 1.00 0.00 C ATOM 590 CG LEU A 67 -3.555 -9.729 1.745 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.500 -10.695 2.250 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.876 -8.410 1.389 1.00 0.00 C ATOM 0 H LEU A 67 -6.544 -10.822 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.035 -8.479 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.081 -11.059 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.609 -11.086 0.084 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.307 -9.466 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.944 -10.233 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.982 -11.605 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.815 -10.943 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.378 -8.007 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.140 -8.580 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.624 -7.699 1.038 1.00 0.00 H new ATOM 604 N ALA A 68 -4.216 -10.278 -2.624 1.00 0.00 N ATOM 605 CA ALA A 68 -3.508 -10.184 -3.897 1.00 0.00 C ATOM 606 C ALA A 68 -3.714 -8.819 -4.574 1.00 0.00 C ATOM 607 O ALA A 68 -2.753 -8.291 -5.134 1.00 0.00 O ATOM 608 CB ALA A 68 -3.956 -11.328 -4.812 1.00 0.00 C ATOM 0 H ALA A 68 -4.826 -11.091 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.439 -10.274 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.429 -11.260 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.729 -12.283 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.030 -11.256 -4.986 1.00 0.00 H new ATOM 614 N THR A 69 -4.905 -8.208 -4.466 1.00 0.00 N ATOM 615 CA THR A 69 -5.230 -6.963 -5.162 1.00 0.00 C ATOM 616 C THR A 69 -4.320 -5.803 -4.747 1.00 0.00 C ATOM 617 O THR A 69 -3.627 -5.238 -5.587 1.00 0.00 O ATOM 618 CB THR A 69 -6.703 -6.577 -4.960 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.575 -7.663 -5.213 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.059 -5.434 -5.904 1.00 0.00 C ATOM 0 H THR A 69 -5.667 -8.568 -3.892 1.00 0.00 H new ATOM 0 HA THR A 69 -5.058 -7.153 -6.221 1.00 0.00 H new ATOM 0 HB THR A 69 -6.825 -6.276 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.502 -7.378 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.104 -5.158 -5.763 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.424 -4.574 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.904 -5.752 -6.935 1.00 0.00 H new ATOM 628 N VAL A 70 -4.251 -5.433 -3.461 1.00 0.00 N ATOM 629 CA VAL A 70 -3.481 -4.248 -3.050 1.00 0.00 C ATOM 630 C VAL A 70 -1.990 -4.348 -3.375 1.00 0.00 C ATOM 631 O VAL A 70 -1.371 -3.386 -3.825 1.00 0.00 O ATOM 632 CB VAL A 70 -3.688 -3.947 -1.555 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.068 -4.980 -0.608 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.043 -2.605 -1.235 1.00 0.00 C ATOM 0 H VAL A 70 -4.711 -5.928 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.871 -3.418 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.766 -3.960 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.262 -4.689 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.509 -5.959 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.992 -5.028 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.181 -2.378 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.977 -2.651 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.508 -1.825 -1.838 1.00 0.00 H new ATOM 644 N LYS A 71 -1.421 -5.541 -3.220 1.00 0.00 N ATOM 645 CA LYS A 71 -0.024 -5.822 -3.561 1.00 0.00 C ATOM 646 C LYS A 71 0.242 -5.659 -5.055 1.00 0.00 C ATOM 647 O LYS A 71 1.216 -5.009 -5.432 1.00 0.00 O ATOM 648 CB LYS A 71 0.345 -7.230 -3.086 1.00 0.00 C ATOM 649 CG LYS A 71 0.150 -7.362 -1.574 1.00 0.00 C ATOM 650 CD LYS A 71 0.783 -8.667 -1.105 1.00 0.00 C ATOM 651 CE LYS A 71 0.503 -8.915 0.387 1.00 0.00 C ATOM 652 NZ LYS A 71 1.598 -9.680 1.041 1.00 0.00 N ATOM 0 H LYS A 71 -1.920 -6.350 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 71 0.607 -5.094 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.271 -7.966 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.382 -7.445 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.606 -6.516 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.912 -7.349 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.392 -9.497 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.859 -8.634 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.375 -7.959 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.434 -9.461 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.464 -9.665 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.583 -10.664 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.513 -9.247 0.805 1.00 0.00 H new ATOM 666 N THR A 72 -0.635 -6.194 -5.910 1.00 0.00 N ATOM 667 CA THR A 72 -0.488 -5.977 -7.374 1.00 0.00 C ATOM 668 C THR A 72 -0.701 -4.519 -7.793 1.00 0.00 C ATOM 669 O THR A 72 -0.084 -4.065 -8.756 1.00 0.00 O ATOM 670 CB THR A 72 -1.340 -6.932 -8.234 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.008 -6.858 -9.609 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.835 -6.669 -8.142 1.00 0.00 C ATOM 0 H THR A 72 -1.435 -6.765 -5.637 1.00 0.00 H new ATOM 0 HA THR A 72 0.555 -6.223 -7.576 1.00 0.00 H new ATOM 0 HB THR A 72 -1.112 -7.916 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.571 -7.480 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.369 -7.379 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.162 -6.785 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.047 -5.654 -8.478 1.00 0.00 H new ATOM 680 N LEU A 73 -1.491 -3.745 -7.041 1.00 0.00 N ATOM 681 CA LEU A 73 -1.756 -2.347 -7.314 1.00 0.00 C ATOM 682 C LEU A 73 -0.544 -1.474 -6.909 1.00 0.00 C ATOM 683 O LEU A 73 -0.021 -0.680 -7.705 1.00 0.00 O ATOM 684 CB LEU A 73 -3.051 -2.060 -6.524 1.00 0.00 C ATOM 685 CG LEU A 73 -3.909 -0.925 -7.067 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.144 -0.810 -6.190 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.087 0.349 -7.076 1.00 0.00 C ATOM 0 H LEU A 73 -1.970 -4.090 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.896 -2.111 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.652 -2.969 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.784 -1.830 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.232 -1.113 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.777 -0.003 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.699 -1.748 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.843 -0.597 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.691 1.169 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.766 0.582 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.211 0.213 -7.711 1.00 0.00 H new ATOM 699 N LEU A 74 -0.005 -1.720 -5.711 1.00 0.00 N ATOM 700 CA LEU A 74 1.164 -1.006 -5.186 1.00 0.00 C ATOM 701 C LEU A 74 2.295 -0.962 -6.185 1.00 0.00 C ATOM 702 O LEU A 74 2.776 0.102 -6.543 1.00 0.00 O ATOM 703 CB LEU A 74 1.735 -1.757 -3.977 1.00 0.00 C ATOM 704 CG LEU A 74 1.133 -1.367 -2.647 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.754 -2.296 -1.606 1.00 0.00 C ATOM 706 CD2 LEU A 74 1.455 0.081 -2.305 1.00 0.00 C ATOM 0 H LEU A 74 -0.371 -2.426 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 74 0.820 -0.001 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.586 -2.826 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.811 -1.587 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 74 0.047 -1.458 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.353 -2.058 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.517 -3.331 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.836 -2.163 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.010 0.335 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.536 0.210 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.050 0.736 -3.077 1.00 0.00 H new ATOM 718 N GLY A 75 2.662 -2.148 -6.643 1.00 0.00 N ATOM 719 CA GLY A 75 3.756 -2.378 -7.584 1.00 0.00 C ATOM 720 C GLY A 75 3.607 -1.549 -8.862 1.00 0.00 C ATOM 721 O GLY A 75 4.608 -1.215 -9.499 1.00 0.00 O ATOM 0 H GLY A 75 2.193 -3.009 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.703 -2.133 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.794 -3.436 -7.842 1.00 0.00 H new ATOM 725 N ARG A 76 2.363 -1.211 -9.227 1.00 0.00 N ATOM 726 CA ARG A 76 2.055 -0.345 -10.377 1.00 0.00 C ATOM 727 C ARG A 76 2.233 1.123 -10.007 1.00 0.00 C ATOM 728 O ARG A 76 2.751 1.887 -10.817 1.00 0.00 O ATOM 729 CB ARG A 76 0.640 -0.614 -10.913 1.00 0.00 C ATOM 730 CG ARG A 76 0.442 -2.059 -11.426 1.00 0.00 C ATOM 731 CD ARG A 76 -1.003 -2.367 -11.865 1.00 0.00 C ATOM 732 NE ARG A 76 -1.260 -3.825 -11.998 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.989 -4.461 -12.910 1.00 0.00 C ATOM 734 NH1 ARG A 76 -2.562 -3.859 -13.917 1.00 0.00 N ATOM 735 NH2 ARG A 76 -2.227 -5.737 -12.795 1.00 0.00 N ATOM 0 H ARG A 76 1.533 -1.533 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 76 2.758 -0.581 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.084 -0.415 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.428 0.084 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.113 -2.232 -12.268 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.730 -2.757 -10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.698 -1.944 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.201 -1.878 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.818 -4.417 -11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.461 -2.851 -14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.111 -4.397 -14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.853 -6.256 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.787 -6.217 -13.499 1.00 0.00 H new ATOM 749 N LEU A 77 1.868 1.513 -8.773 1.00 0.00 N ATOM 750 CA LEU A 77 2.153 2.878 -8.291 1.00 0.00 C ATOM 751 C LEU A 77 3.650 3.168 -8.246 1.00 0.00 C ATOM 752 O LEU A 77 4.134 4.192 -8.720 1.00 0.00 O ATOM 753 CB LEU A 77 1.633 3.096 -6.858 1.00 0.00 C ATOM 754 CG LEU A 77 0.270 2.486 -6.554 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.061 2.717 -5.099 1.00 0.00 C ATOM 756 CD2 LEU A 77 -0.763 3.055 -7.503 1.00 0.00 C ATOM 0 H LEU A 77 1.384 0.916 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 77 1.651 3.540 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.360 2.682 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.582 4.168 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 77 0.278 1.408 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.035 2.283 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.698 2.247 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.085 3.788 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.737 2.618 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.814 4.137 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.482 2.821 -8.530 1.00 0.00 H new ATOM 768 N VAL A 78 4.371 2.231 -7.631 1.00 0.00 N ATOM 769 CA VAL A 78 5.801 2.431 -7.282 1.00 0.00 C ATOM 770 C VAL A 78 6.750 2.306 -8.479 1.00 0.00 C ATOM 771 O VAL A 78 7.681 3.102 -8.568 1.00 0.00 O ATOM 772 CB VAL A 78 6.325 1.686 -6.015 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.277 0.985 -5.139 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.431 0.650 -6.252 1.00 0.00 C ATOM 0 H VAL A 78 3.999 1.321 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 78 5.813 3.477 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 78 6.720 2.555 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.771 0.507 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.559 1.719 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.756 0.231 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.715 0.197 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.066 -0.124 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.299 1.139 -6.695 1.00 0.00 H new ATOM 784 N LYS A 79 6.512 1.404 -9.451 1.00 0.00 N ATOM 785 CA LYS A 79 7.291 1.408 -10.705 1.00 0.00 C ATOM 786 C LYS A 79 7.101 2.684 -11.529 1.00 0.00 C ATOM 787 O LYS A 79 7.985 3.082 -12.276 1.00 0.00 O ATOM 788 CB LYS A 79 6.969 0.188 -11.584 1.00 0.00 C ATOM 789 CG LYS A 79 8.199 -0.652 -11.843 1.00 0.00 C ATOM 790 CD LYS A 79 8.713 -1.383 -10.605 1.00 0.00 C ATOM 791 CE LYS A 79 8.035 -2.746 -10.518 1.00 0.00 C ATOM 792 NZ LYS A 79 8.631 -3.733 -11.462 1.00 0.00 N ATOM 0 H LYS A 79 5.800 0.676 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 79 8.333 1.363 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.208 -0.421 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.550 0.523 -12.533 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.972 -1.384 -12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.991 -0.011 -12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.795 -1.503 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.503 -0.800 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.116 -3.126 -9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.972 -2.636 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.299 -4.689 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.343 -3.502 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.668 -3.699 -11.391 1.00 0.00 H new ATOM 806 N LYS A 80 5.939 3.317 -11.378 1.00 0.00 N ATOM 807 CA LYS A 80 5.568 4.625 -11.964 1.00 0.00 C ATOM 808 C LYS A 80 5.863 5.796 -11.002 1.00 0.00 C ATOM 809 O LYS A 80 5.362 6.900 -11.179 1.00 0.00 O ATOM 810 CB LYS A 80 4.103 4.543 -12.427 1.00 0.00 C ATOM 811 CG LYS A 80 3.609 5.711 -13.292 1.00 0.00 C ATOM 812 CD LYS A 80 2.724 5.288 -14.491 1.00 0.00 C ATOM 813 CE LYS A 80 3.652 4.967 -15.679 1.00 0.00 C ATOM 814 NZ LYS A 80 2.980 4.266 -16.790 1.00 0.00 N ATOM 0 H LYS A 80 5.185 2.920 -10.817 1.00 0.00 H new ATOM 0 HA LYS A 80 6.187 4.841 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.971 3.618 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.466 4.474 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.044 6.399 -12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.473 6.259 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.122 4.417 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.031 6.087 -14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.080 5.896 -16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.481 4.355 -15.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.665 4.084 -17.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.595 3.363 -16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.206 4.857 -17.155 1.00 0.00 H new ATOM 828 N GLU A 81 6.707 5.536 -10.002 1.00 0.00 N ATOM 829 CA GLU A 81 7.295 6.492 -9.058 1.00 0.00 C ATOM 830 C GLU A 81 6.269 7.449 -8.405 1.00 0.00 C ATOM 831 O GLU A 81 6.581 8.610 -8.140 1.00 0.00 O ATOM 832 CB GLU A 81 8.542 7.163 -9.712 1.00 0.00 C ATOM 833 CG GLU A 81 9.756 7.276 -8.762 1.00 0.00 C ATOM 834 CD GLU A 81 11.045 7.695 -9.500 1.00 0.00 C ATOM 835 OE1 GLU A 81 11.110 8.873 -9.920 1.00 0.00 O ATOM 836 OE2 GLU A 81 11.999 6.873 -9.627 1.00 0.00 O ATOM 0 H GLU A 81 7.021 4.584 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 81 7.656 5.951 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.833 6.589 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.268 8.160 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.536 8.003 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.918 6.318 -8.269 1.00 0.00 H new ATOM 843 N MET A 82 5.025 6.988 -8.158 1.00 0.00 N ATOM 844 CA MET A 82 3.995 7.770 -7.456 1.00 0.00 C ATOM 845 C MET A 82 4.128 7.612 -5.937 1.00 0.00 C ATOM 846 O MET A 82 3.915 8.562 -5.185 1.00 0.00 O ATOM 847 CB MET A 82 2.599 7.250 -7.837 1.00 0.00 C ATOM 848 CG MET A 82 2.289 7.312 -9.327 1.00 0.00 C ATOM 849 SD MET A 82 2.134 8.997 -9.985 1.00 0.00 S ATOM 850 CE MET A 82 1.100 8.681 -11.444 1.00 0.00 C ATOM 0 H MET A 82 4.709 6.060 -8.442 1.00 0.00 H new ATOM 0 HA MET A 82 4.125 8.814 -7.742 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.505 6.217 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.849 7.829 -7.298 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.076 6.792 -9.873 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.361 6.773 -9.516 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.342 9.402 -12.225 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.287 7.672 -11.811 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.049 8.779 -11.173 1.00 0.00 H new ATOM 860 N LEU A 83 4.454 6.387 -5.504 1.00 0.00 N ATOM 861 CA LEU A 83 4.722 6.035 -4.106 1.00 0.00 C ATOM 862 C LEU A 83 6.163 5.566 -3.915 1.00 0.00 C ATOM 863 O LEU A 83 6.780 5.070 -4.861 1.00 0.00 O ATOM 864 CB LEU A 83 3.783 4.927 -3.590 1.00 0.00 C ATOM 865 CG LEU A 83 2.264 5.168 -3.653 1.00 0.00 C ATOM 866 CD1 LEU A 83 1.593 4.328 -2.562 1.00 0.00 C ATOM 867 CD2 LEU A 83 1.877 6.622 -3.426 1.00 0.00 C ATOM 0 H LEU A 83 4.541 5.591 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 83 4.546 6.946 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.999 4.019 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.045 4.727 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 83 1.937 4.890 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.515 4.487 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.809 3.273 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.976 4.626 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.793 6.723 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.220 6.940 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.341 7.246 -4.190 1.00 0.00 H new ATOM 879 N SER A 84 6.636 5.620 -2.664 1.00 0.00 N ATOM 880 CA SER A 84 7.933 5.056 -2.287 1.00 0.00 C ATOM 881 C SER A 84 7.826 3.803 -1.421 1.00 0.00 C ATOM 882 O SER A 84 6.848 3.577 -0.708 1.00 0.00 O ATOM 883 CB SER A 84 8.795 5.987 -1.443 1.00 0.00 C ATOM 884 OG SER A 84 8.931 7.330 -1.833 1.00 0.00 O ATOM 0 H SER A 84 6.132 6.054 -1.890 1.00 0.00 H new ATOM 0 HA SER A 84 8.375 4.857 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.394 5.978 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.795 5.556 -1.394 1.00 0.00 H new ATOM 0 HG SER A 84 8.423 7.902 -1.220 1.00 0.00 H new ATOM 890 N THR A 85 8.900 3.012 -1.400 1.00 0.00 N ATOM 891 CA THR A 85 9.013 1.830 -0.533 1.00 0.00 C ATOM 892 C THR A 85 10.461 1.363 -0.295 1.00 0.00 C ATOM 893 O THR A 85 11.316 1.538 -1.161 1.00 0.00 O ATOM 894 CB THR A 85 8.168 0.725 -1.190 1.00 0.00 C ATOM 895 OG1 THR A 85 8.260 -0.512 -0.538 1.00 0.00 O ATOM 896 CG2 THR A 85 8.538 0.530 -2.659 1.00 0.00 C ATOM 0 H THR A 85 9.721 3.171 -1.985 1.00 0.00 H new ATOM 0 HA THR A 85 8.650 2.081 0.464 1.00 0.00 H new ATOM 0 HB THR A 85 7.139 1.076 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.910 -0.428 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.920 -0.259 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.370 1.459 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.589 0.250 -2.735 1.00 0.00 H new ATOM 904 N GLU A 86 10.733 0.739 0.858 1.00 0.00 N ATOM 905 CA GLU A 86 11.993 0.030 1.174 1.00 0.00 C ATOM 906 C GLU A 86 11.702 -1.336 1.828 1.00 0.00 C ATOM 907 O GLU A 86 10.663 -1.528 2.457 1.00 0.00 O ATOM 908 CB GLU A 86 12.902 0.851 2.119 1.00 0.00 C ATOM 909 CG GLU A 86 13.640 2.026 1.454 1.00 0.00 C ATOM 910 CD GLU A 86 14.898 2.432 2.248 1.00 0.00 C ATOM 911 OE1 GLU A 86 15.895 1.665 2.200 1.00 0.00 O ATOM 912 OE2 GLU A 86 14.886 3.487 2.926 1.00 0.00 O ATOM 0 H GLU A 86 10.063 0.709 1.627 1.00 0.00 H new ATOM 0 HA GLU A 86 12.514 -0.113 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.294 1.239 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.640 0.182 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.924 1.749 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.968 2.880 1.375 1.00 0.00 H new ATOM 919 N LYS A 87 12.614 -2.307 1.702 1.00 0.00 N ATOM 920 CA LYS A 87 12.533 -3.627 2.335 1.00 0.00 C ATOM 921 C LYS A 87 13.034 -3.573 3.781 1.00 0.00 C ATOM 922 O LYS A 87 14.157 -3.142 4.028 1.00 0.00 O ATOM 923 CB LYS A 87 13.418 -4.548 1.501 1.00 0.00 C ATOM 924 CG LYS A 87 13.413 -5.992 1.973 1.00 0.00 C ATOM 925 CD LYS A 87 14.545 -6.666 1.210 1.00 0.00 C ATOM 926 CE LYS A 87 14.515 -8.137 1.557 1.00 0.00 C ATOM 927 NZ LYS A 87 15.617 -8.892 0.908 1.00 0.00 N ATOM 0 H LYS A 87 13.456 -2.191 1.138 1.00 0.00 H new ATOM 0 HA LYS A 87 11.503 -3.982 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.087 -4.513 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.441 -4.172 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.572 -6.055 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.457 -6.471 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.422 -6.523 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.505 -6.227 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.585 -8.254 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.558 -8.561 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.555 -9.895 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.537 -8.803 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.532 -8.507 1.219 1.00 0.00 H new ATOM 941 N GLU A 88 12.268 -4.111 4.725 1.00 0.00 N ATOM 942 CA GLU A 88 12.677 -4.305 6.133 1.00 0.00 C ATOM 943 C GLU A 88 12.807 -5.814 6.414 1.00 0.00 C ATOM 944 O GLU A 88 11.937 -6.454 7.019 1.00 0.00 O ATOM 945 CB GLU A 88 11.752 -3.535 7.102 1.00 0.00 C ATOM 946 CG GLU A 88 12.312 -2.144 7.488 1.00 0.00 C ATOM 947 CD GLU A 88 13.459 -2.185 8.528 1.00 0.00 C ATOM 948 OE1 GLU A 88 13.901 -3.300 8.884 1.00 0.00 O ATOM 949 OE2 GLU A 88 13.839 -1.109 9.059 1.00 0.00 O ATOM 0 H GLU A 88 11.319 -4.436 4.538 1.00 0.00 H new ATOM 0 HA GLU A 88 13.660 -3.870 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.772 -3.412 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.607 -4.127 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.672 -1.647 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.499 -1.535 7.884 1.00 0.00 H new ATOM 956 N GLY A 89 13.875 -6.390 5.838 1.00 0.00 N ATOM 957 CA GLY A 89 14.281 -7.799 5.880 1.00 0.00 C ATOM 958 C GLY A 89 13.241 -8.779 5.329 1.00 0.00 C ATOM 959 O GLY A 89 13.356 -9.249 4.197 1.00 0.00 O ATOM 0 H GLY A 89 14.528 -5.834 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.205 -7.914 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.504 -8.069 6.912 1.00 0.00 H new ATOM 963 N ARG A 90 12.215 -9.062 6.137 1.00 0.00 N ATOM 964 CA ARG A 90 11.139 -10.039 5.876 1.00 0.00 C ATOM 965 C ARG A 90 9.817 -9.348 5.516 1.00 0.00 C ATOM 966 O ARG A 90 8.939 -9.981 4.934 1.00 0.00 O ATOM 967 CB ARG A 90 10.994 -10.960 7.114 1.00 0.00 C ATOM 968 CG ARG A 90 11.073 -12.462 6.798 1.00 0.00 C ATOM 969 CD ARG A 90 9.909 -12.977 5.946 1.00 0.00 C ATOM 970 NE ARG A 90 9.937 -14.451 5.855 1.00 0.00 N ATOM 971 CZ ARG A 90 8.968 -15.245 5.453 1.00 0.00 C ATOM 972 NH1 ARG A 90 7.831 -14.798 4.998 1.00 0.00 N ATOM 973 NH2 ARG A 90 9.110 -16.536 5.499 1.00 0.00 N ATOM 0 H ARG A 90 12.101 -8.596 7.037 1.00 0.00 H new ATOM 0 HA ARG A 90 11.404 -10.645 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.775 -10.710 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.039 -10.752 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.009 -12.666 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.100 -13.020 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.963 -12.653 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.965 -12.545 4.947 1.00 0.00 H new ATOM 0 HE ARG A 90 10.806 -14.905 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.663 -13.793 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.109 -15.453 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.978 -16.941 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.353 -17.144 5.185 1.00 0.00 H new ATOM 987 N LYS A 91 9.662 -8.057 5.836 1.00 0.00 N ATOM 988 CA LYS A 91 8.546 -7.192 5.512 1.00 0.00 C ATOM 989 C LYS A 91 8.944 -6.145 4.450 1.00 0.00 C ATOM 990 O LYS A 91 10.107 -6.009 4.065 1.00 0.00 O ATOM 991 CB LYS A 91 8.146 -6.543 6.850 1.00 0.00 C ATOM 992 CG LYS A 91 6.645 -6.292 6.921 1.00 0.00 C ATOM 993 CD LYS A 91 5.823 -7.464 7.485 1.00 0.00 C ATOM 994 CE LYS A 91 5.677 -7.395 9.016 1.00 0.00 C ATOM 995 NZ LYS A 91 4.580 -8.264 9.515 1.00 0.00 N ATOM 0 H LYS A 91 10.376 -7.562 6.370 1.00 0.00 H new ATOM 0 HA LYS A 91 7.711 -7.738 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.447 -7.190 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.680 -5.601 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.467 -5.411 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.282 -6.060 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.833 -7.463 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.300 -8.405 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.616 -7.694 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.486 -6.364 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.165 -7.843 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.847 -8.353 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.959 -9.206 9.741 1.00 0.00 H new ATOM 1009 N PHE A 92 7.969 -5.360 4.001 1.00 0.00 N ATOM 1010 CA PHE A 92 8.139 -4.291 3.009 1.00 0.00 C ATOM 1011 C PHE A 92 7.428 -3.033 3.501 1.00 0.00 C ATOM 1012 O PHE A 92 6.240 -3.090 3.819 1.00 0.00 O ATOM 1013 CB PHE A 92 7.588 -4.757 1.652 1.00 0.00 C ATOM 1014 CG PHE A 92 8.677 -4.947 0.632 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.329 -6.185 0.520 1.00 0.00 C ATOM 1016 CD2 PHE A 92 9.072 -3.859 -0.161 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.387 -6.334 -0.395 1.00 0.00 C ATOM 1018 CE2 PHE A 92 10.142 -4.001 -1.062 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.801 -5.240 -1.179 1.00 0.00 C ATOM 0 H PHE A 92 7.006 -5.449 4.325 1.00 0.00 H new ATOM 0 HA PHE A 92 9.196 -4.058 2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.048 -5.695 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.870 -4.025 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.020 -7.019 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.555 -2.914 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.882 -7.288 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.458 -3.161 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.624 -5.351 -1.870 1.00 0.00 H new ATOM 1029 N VAL A 93 8.145 -1.918 3.595 1.00 0.00 N ATOM 1030 CA VAL A 93 7.629 -0.639 4.090 1.00 0.00 C ATOM 1031 C VAL A 93 7.306 0.278 2.921 1.00 0.00 C ATOM 1032 O VAL A 93 8.025 0.311 1.928 1.00 0.00 O ATOM 1033 CB VAL A 93 8.627 0.013 5.066 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.283 1.477 5.410 1.00 0.00 C ATOM 1035 CG2 VAL A 93 8.665 -0.856 6.336 1.00 0.00 C ATOM 0 H VAL A 93 9.127 -1.874 3.323 1.00 0.00 H new ATOM 0 HA VAL A 93 6.707 -0.819 4.644 1.00 0.00 H new ATOM 0 HB VAL A 93 9.605 0.058 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.027 1.873 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.281 2.074 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.298 1.520 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.364 -0.423 7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.670 -0.897 6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.988 -1.864 6.077 1.00 0.00 H new ATOM 1045 N TYR A 94 6.249 1.063 3.086 1.00 0.00 N ATOM 1046 CA TYR A 94 5.675 1.996 2.135 1.00 0.00 C ATOM 1047 C TYR A 94 5.614 3.401 2.753 1.00 0.00 C ATOM 1048 O TYR A 94 5.058 3.599 3.837 1.00 0.00 O ATOM 1049 CB TYR A 94 4.299 1.445 1.722 1.00 0.00 C ATOM 1050 CG TYR A 94 4.442 0.173 0.904 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.763 0.287 -0.461 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.409 -1.101 1.511 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.104 -0.854 -1.208 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.715 -2.243 0.755 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.105 -2.118 -0.591 1.00 0.00 C ATOM 1056 OH TYR A 94 5.488 -3.215 -1.289 1.00 0.00 O ATOM 0 H TYR A 94 5.730 1.060 3.964 1.00 0.00 H new ATOM 0 HA TYR A 94 6.287 2.094 1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.703 1.244 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.762 2.196 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.747 1.256 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.149 -1.197 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.364 -0.760 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.651 -3.221 1.208 1.00 0.00 H new ATOM 0 HH TYR A 94 5.431 -4.006 -0.713 1.00 0.00 H new ATOM 1066 N ARG A 95 6.237 4.342 2.037 1.00 0.00 N ATOM 1067 CA ARG A 95 6.382 5.784 2.335 1.00 0.00 C ATOM 1068 C ARG A 95 5.753 6.675 1.230 1.00 0.00 C ATOM 1069 O ARG A 95 5.646 6.251 0.072 1.00 0.00 O ATOM 1070 CB ARG A 95 7.887 6.143 2.450 1.00 0.00 C ATOM 1071 CG ARG A 95 8.422 6.157 3.881 1.00 0.00 C ATOM 1072 CD ARG A 95 9.843 6.737 3.968 1.00 0.00 C ATOM 1073 NE ARG A 95 10.141 7.155 5.352 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.299 7.328 5.958 1.00 0.00 C ATOM 1075 NH1 ARG A 95 12.439 6.949 5.445 1.00 0.00 N ATOM 1076 NH2 ARG A 95 11.305 7.732 7.196 1.00 0.00 N ATOM 0 H ARG A 95 6.694 4.102 1.158 1.00 0.00 H new ATOM 0 HA ARG A 95 5.860 5.973 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.465 5.427 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.050 7.124 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.753 6.744 4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.422 5.141 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.568 5.991 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.937 7.589 3.295 1.00 0.00 H new ATOM 0 HE ARG A 95 9.322 7.339 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.462 6.495 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.307 7.108 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.424 7.909 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.191 7.872 7.683 1.00 0.00 H new ATOM 1090 N PRO A 96 5.411 7.942 1.538 1.00 0.00 N ATOM 1091 CA PRO A 96 5.067 8.949 0.530 1.00 0.00 C ATOM 1092 C PRO A 96 6.314 9.373 -0.282 1.00 0.00 C ATOM 1093 O PRO A 96 7.402 8.817 -0.104 1.00 0.00 O ATOM 1094 CB PRO A 96 4.465 10.106 1.338 1.00 0.00 C ATOM 1095 CG PRO A 96 5.183 10.020 2.685 1.00 0.00 C ATOM 1096 CD PRO A 96 5.365 8.518 2.877 1.00 0.00 C ATOM 0 HA PRO A 96 4.365 8.579 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.639 11.066 0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.386 9.996 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.139 10.544 2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.592 10.461 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.282 8.303 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.542 8.096 3.455 1.00 0.00 H new ATOM 1104 N LEU A 97 6.174 10.375 -1.155 1.00 0.00 N ATOM 1105 CA LEU A 97 7.267 11.061 -1.844 1.00 0.00 C ATOM 1106 C LEU A 97 7.458 12.480 -1.265 1.00 0.00 C ATOM 1107 O LEU A 97 6.637 12.957 -0.479 1.00 0.00 O ATOM 1108 CB LEU A 97 6.999 11.069 -3.375 1.00 0.00 C ATOM 1109 CG LEU A 97 7.858 10.124 -4.233 1.00 0.00 C ATOM 1110 CD1 LEU A 97 9.345 10.296 -3.936 1.00 0.00 C ATOM 1111 CD2 LEU A 97 7.444 8.670 -4.049 1.00 0.00 C ATOM 0 H LEU A 97 5.258 10.744 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 97 8.203 10.526 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.951 10.818 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.144 12.086 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 97 7.686 10.396 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.922 9.613 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.642 11.322 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.534 10.075 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.072 8.031 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.562 8.388 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.401 8.549 -4.342 1.00 0.00 H new ATOM 1123 N MET A 98 8.572 13.128 -1.612 1.00 0.00 N ATOM 1124 CA MET A 98 8.921 14.476 -1.141 1.00 0.00 C ATOM 1125 C MET A 98 8.197 15.562 -1.957 1.00 0.00 C ATOM 1126 O MET A 98 8.415 15.673 -3.165 1.00 0.00 O ATOM 1127 CB MET A 98 10.445 14.665 -1.242 1.00 0.00 C ATOM 1128 CG MET A 98 10.957 16.017 -0.717 1.00 0.00 C ATOM 1129 SD MET A 98 10.989 16.232 1.090 1.00 0.00 S ATOM 1130 CE MET A 98 9.406 17.059 1.408 1.00 0.00 C ATOM 0 H MET A 98 9.270 12.727 -2.238 1.00 0.00 H new ATOM 0 HA MET A 98 8.601 14.576 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 98 10.935 13.865 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.743 14.558 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 98 11.968 16.169 -1.096 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.336 16.805 -1.143 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.457 17.588 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.200 17.770 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.609 16.316 1.448 1.00 0.00 H new ATOM 1140 N GLU A 99 7.383 16.384 -1.287 1.00 0.00 N ATOM 1141 CA GLU A 99 6.689 17.556 -1.842 1.00 0.00 C ATOM 1142 C GLU A 99 6.360 18.611 -0.772 1.00 0.00 C ATOM 1143 O GLU A 99 6.707 18.430 0.421 1.00 0.00 O ATOM 1144 CB GLU A 99 5.397 17.099 -2.553 1.00 0.00 C ATOM 1145 CG GLU A 99 5.247 17.742 -3.942 1.00 0.00 C ATOM 1146 CD GLU A 99 3.769 17.928 -4.300 1.00 0.00 C ATOM 1147 OE1 GLU A 99 3.082 16.924 -4.596 1.00 0.00 O ATOM 1148 OE2 GLU A 99 3.259 19.074 -4.218 1.00 0.00 O ATOM 0 H GLU A 99 7.179 16.246 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 99 7.363 18.030 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.403 16.014 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.534 17.357 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.754 18.707 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.731 17.116 -4.691 1.00 0.00 H new TER 1155 GLU A 99