USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 142:sc= -0.235 (180deg=-0.892) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0994 (180deg=-0.424) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 4 THR OG1 : rot -154:sc= 0.164 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -117:sc= -3.46 (180deg=-6.63!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.987! C(o=-1.9!,f=-0.99!) USER MOD Single : A 21 MET CE :methyl -161:sc= -0.828 (180deg=-1.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -142:sc= -1.64 (180deg=-5.05!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= -0.251 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -26:sc= -0.671 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.384 15.975 9.158 1.00 0.00 N ATOM 2 CA MET A 1 -19.055 14.651 8.558 1.00 0.00 C ATOM 3 C MET A 1 -19.849 14.406 7.274 1.00 0.00 C ATOM 4 O MET A 1 -21.038 14.723 7.199 1.00 0.00 O ATOM 5 CB MET A 1 -19.351 13.547 9.586 1.00 0.00 C ATOM 6 CG MET A 1 -20.765 13.586 10.151 1.00 0.00 C ATOM 7 SD MET A 1 -21.040 12.339 11.427 1.00 0.00 S ATOM 8 CE MET A 1 -19.836 12.835 12.658 1.00 0.00 C ATOM 0 H1 MET A 1 -19.006 16.021 10.126 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.959 16.731 8.584 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.416 16.098 9.183 1.00 0.00 H new ATOM 0 HA MET A 1 -17.997 14.640 8.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.185 12.576 9.119 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.640 13.631 10.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.958 14.575 10.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.480 13.436 9.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.256 12.696 13.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.938 12.226 12.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.581 13.885 12.515 1.00 0.00 H new ATOM 20 N VAL A 2 -19.180 13.842 6.267 1.00 0.00 N ATOM 21 CA VAL A 2 -19.811 13.549 4.977 1.00 0.00 C ATOM 22 C VAL A 2 -19.174 12.320 4.311 1.00 0.00 C ATOM 23 O VAL A 2 -19.069 12.255 3.083 1.00 0.00 O ATOM 24 CB VAL A 2 -19.710 14.754 4.011 1.00 0.00 C ATOM 25 CG1 VAL A 2 -20.693 15.850 4.402 1.00 0.00 C ATOM 26 CG2 VAL A 2 -18.285 15.294 3.967 1.00 0.00 C ATOM 0 H VAL A 2 -18.196 13.578 6.320 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.862 13.343 5.182 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.973 14.408 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.602 16.685 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -21.709 15.457 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.472 16.193 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.238 16.140 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.988 15.618 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.610 14.511 3.623 1.00 0.00 H new ATOM 36 N SER A 3 -18.745 11.349 5.128 1.00 0.00 N ATOM 37 CA SER A 3 -18.112 10.127 4.619 1.00 0.00 C ATOM 38 C SER A 3 -16.817 10.457 3.862 1.00 0.00 C ATOM 39 O SER A 3 -16.283 11.561 3.992 1.00 0.00 O ATOM 40 CB SER A 3 -19.086 9.361 3.713 1.00 0.00 C ATOM 41 OG SER A 3 -18.860 7.964 3.785 1.00 0.00 O ATOM 0 H SER A 3 -18.825 11.387 6.144 1.00 0.00 H new ATOM 0 HA SER A 3 -17.855 9.494 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.112 9.582 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.971 9.698 2.683 1.00 0.00 H new ATOM 0 HG SER A 3 -19.494 7.499 3.200 1.00 0.00 H new ATOM 47 N THR A 4 -16.313 9.499 3.077 1.00 0.00 N ATOM 48 CA THR A 4 -15.083 9.704 2.308 1.00 0.00 C ATOM 49 C THR A 4 -15.285 10.748 1.213 1.00 0.00 C ATOM 50 O THR A 4 -16.413 11.007 0.789 1.00 0.00 O ATOM 51 CB THR A 4 -14.607 8.389 1.682 1.00 0.00 C ATOM 52 OG1 THR A 4 -15.704 7.535 1.400 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.640 7.626 2.562 1.00 0.00 C ATOM 0 H THR A 4 -16.736 8.579 2.958 1.00 0.00 H new ATOM 0 HA THR A 4 -14.322 10.066 3.000 1.00 0.00 H new ATOM 0 HB THR A 4 -14.091 8.676 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.402 6.603 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.341 6.705 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.759 8.239 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.123 7.384 3.509 1.00 0.00 H new ATOM 61 N TYR A 5 -14.183 11.342 0.759 1.00 0.00 N ATOM 62 CA TYR A 5 -14.236 12.359 -0.288 1.00 0.00 C ATOM 63 C TYR A 5 -13.994 11.753 -1.672 1.00 0.00 C ATOM 64 O TYR A 5 -14.586 12.193 -2.659 1.00 0.00 O ATOM 65 CB TYR A 5 -13.212 13.461 -0.002 1.00 0.00 C ATOM 66 CG TYR A 5 -13.626 14.386 1.122 1.00 0.00 C ATOM 67 CD1 TYR A 5 -13.432 14.028 2.451 1.00 0.00 C ATOM 68 CD2 TYR A 5 -14.217 15.614 0.854 1.00 0.00 C ATOM 69 CE1 TYR A 5 -13.814 14.867 3.480 1.00 0.00 C ATOM 70 CE2 TYR A 5 -14.601 16.460 1.878 1.00 0.00 C ATOM 71 CZ TYR A 5 -14.398 16.082 3.189 1.00 0.00 C ATOM 72 OH TYR A 5 -14.782 16.919 4.213 1.00 0.00 O ATOM 0 H TYR A 5 -13.244 11.137 1.100 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.237 12.791 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -12.255 13.002 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.057 14.048 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.975 13.078 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -14.379 15.913 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.656 14.573 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -15.058 17.412 1.652 1.00 0.00 H new ATOM 0 HH TYR A 5 -15.176 17.735 3.839 1.00 0.00 H new ATOM 82 N ASP A 6 -13.123 10.742 -1.738 1.00 0.00 N ATOM 83 CA ASP A 6 -12.807 10.076 -3.003 1.00 0.00 C ATOM 84 C ASP A 6 -12.315 8.644 -2.771 1.00 0.00 C ATOM 85 O ASP A 6 -12.122 8.219 -1.628 1.00 0.00 O ATOM 86 CB ASP A 6 -11.751 10.876 -3.774 1.00 0.00 C ATOM 87 CG ASP A 6 -12.000 10.874 -5.271 1.00 0.00 C ATOM 88 OD1 ASP A 6 -12.805 11.705 -5.742 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.390 10.039 -5.973 1.00 0.00 O ATOM 0 H ASP A 6 -12.625 10.368 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.722 10.028 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.742 11.904 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.765 10.459 -3.572 1.00 0.00 H new ATOM 94 N GLU A 7 -12.116 7.908 -3.867 1.00 0.00 N ATOM 95 CA GLU A 7 -11.649 6.524 -3.802 1.00 0.00 C ATOM 96 C GLU A 7 -10.474 6.306 -4.756 1.00 0.00 C ATOM 97 O GLU A 7 -10.631 6.393 -5.976 1.00 0.00 O ATOM 98 CB GLU A 7 -12.793 5.564 -4.150 1.00 0.00 C ATOM 99 CG GLU A 7 -12.565 4.138 -3.664 1.00 0.00 C ATOM 100 CD GLU A 7 -13.568 3.140 -4.221 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.094 3.369 -5.333 1.00 0.00 O ATOM 102 OE2 GLU A 7 -13.821 2.121 -3.545 1.00 0.00 O ATOM 0 H GLU A 7 -12.273 8.251 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.312 6.322 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.718 5.943 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.930 5.552 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.559 3.824 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.614 4.121 -2.575 1.00 0.00 H new ATOM 109 N ILE A 8 -9.301 6.022 -4.192 1.00 0.00 N ATOM 110 CA ILE A 8 -8.099 5.789 -4.992 1.00 0.00 C ATOM 111 C ILE A 8 -7.921 4.299 -5.280 1.00 0.00 C ATOM 112 O ILE A 8 -8.421 3.453 -4.540 1.00 0.00 O ATOM 113 CB ILE A 8 -6.831 6.329 -4.288 1.00 0.00 C ATOM 114 CG1 ILE A 8 -7.057 7.762 -3.791 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.627 6.274 -5.222 1.00 0.00 C ATOM 116 CD1 ILE A 8 -7.395 8.749 -4.892 1.00 0.00 C ATOM 0 H ILE A 8 -9.157 5.948 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.231 6.328 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.626 5.693 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.865 7.759 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.160 8.103 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.748 6.659 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.448 5.242 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.824 6.882 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.540 9.739 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.578 8.783 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.310 8.434 -5.394 1.00 0.00 H new ATOM 128 N GLU A 9 -7.211 3.989 -6.361 1.00 0.00 N ATOM 129 CA GLU A 9 -6.968 2.602 -6.754 1.00 0.00 C ATOM 130 C GLU A 9 -5.473 2.285 -6.764 1.00 0.00 C ATOM 131 O GLU A 9 -4.651 3.144 -7.093 1.00 0.00 O ATOM 132 CB GLU A 9 -7.572 2.328 -8.139 1.00 0.00 C ATOM 133 CG GLU A 9 -7.071 3.267 -9.232 1.00 0.00 C ATOM 134 CD GLU A 9 -8.074 4.346 -9.602 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.436 5.154 -8.720 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.491 4.388 -10.779 1.00 0.00 O ATOM 0 H GLU A 9 -6.792 4.681 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.449 1.956 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.346 1.301 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.657 2.410 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.146 3.739 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.831 2.684 -10.121 1.00 0.00 H new ATOM 143 N ILE A 10 -5.129 1.043 -6.409 1.00 0.00 N ATOM 144 CA ILE A 10 -3.730 0.607 -6.385 1.00 0.00 C ATOM 145 C ILE A 10 -3.083 0.747 -7.767 1.00 0.00 C ATOM 146 O ILE A 10 -1.892 1.046 -7.874 1.00 0.00 O ATOM 147 CB ILE A 10 -3.595 -0.855 -5.885 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.118 -1.246 -5.744 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.315 -1.824 -6.816 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.413 -0.562 -4.591 1.00 0.00 C ATOM 0 H ILE A 10 -5.798 0.324 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.207 1.258 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.065 -0.916 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.048 -2.326 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.598 -1.005 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.203 -2.841 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.374 -1.568 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.884 -1.757 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.374 -0.888 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.450 0.518 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.908 -0.823 -3.656 1.00 0.00 H new ATOM 162 N GLU A 11 -3.878 0.540 -8.820 1.00 0.00 N ATOM 163 CA GLU A 11 -3.389 0.654 -10.194 1.00 0.00 C ATOM 164 C GLU A 11 -2.986 2.097 -10.520 1.00 0.00 C ATOM 165 O GLU A 11 -2.058 2.327 -11.298 1.00 0.00 O ATOM 166 CB GLU A 11 -4.459 0.175 -11.180 1.00 0.00 C ATOM 167 CG GLU A 11 -4.803 -1.300 -11.040 1.00 0.00 C ATOM 168 CD GLU A 11 -6.254 -1.594 -11.366 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.560 -1.826 -12.555 1.00 0.00 O ATOM 170 OE2 GLU A 11 -7.085 -1.589 -10.434 1.00 0.00 O ATOM 0 H GLU A 11 -4.865 0.292 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.506 0.022 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.364 0.765 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.114 0.364 -12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.161 -1.883 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.591 -1.624 -10.021 1.00 0.00 H new ATOM 177 N ASP A 12 -3.682 3.063 -9.913 1.00 0.00 N ATOM 178 CA ASP A 12 -3.393 4.480 -10.131 1.00 0.00 C ATOM 179 C ASP A 12 -2.529 5.037 -8.994 1.00 0.00 C ATOM 180 O ASP A 12 -2.737 6.161 -8.531 1.00 0.00 O ATOM 181 CB ASP A 12 -4.702 5.280 -10.253 1.00 0.00 C ATOM 182 CG ASP A 12 -4.564 6.539 -11.097 1.00 0.00 C ATOM 183 OD1 ASP A 12 -3.424 7.011 -11.300 1.00 0.00 O ATOM 184 OD2 ASP A 12 -5.605 7.058 -11.552 1.00 0.00 O ATOM 0 H ASP A 12 -4.451 2.887 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.837 4.578 -11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.470 4.641 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.045 5.556 -9.256 1.00 0.00 H new ATOM 189 N MET A 13 -1.556 4.240 -8.549 1.00 0.00 N ATOM 190 CA MET A 13 -0.656 4.648 -7.472 1.00 0.00 C ATOM 191 C MET A 13 0.803 4.381 -7.848 1.00 0.00 C ATOM 192 O MET A 13 1.084 3.633 -8.787 1.00 0.00 O ATOM 193 CB MET A 13 -1.014 3.914 -6.174 1.00 0.00 C ATOM 194 CG MET A 13 -0.932 4.791 -4.935 1.00 0.00 C ATOM 195 SD MET A 13 -1.960 4.182 -3.584 1.00 0.00 S ATOM 196 CE MET A 13 -3.028 5.593 -3.308 1.00 0.00 C ATOM 0 H MET A 13 -1.372 3.307 -8.919 1.00 0.00 H new ATOM 0 HA MET A 13 -0.776 5.720 -7.315 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.024 3.514 -6.260 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.344 3.063 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.104 4.846 -4.602 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.239 5.805 -5.191 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.863 5.983 -2.304 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.803 6.369 -4.040 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.069 5.287 -3.412 1.00 0.00 H new ATOM 206 N THR A 14 1.730 5.000 -7.111 1.00 0.00 N ATOM 207 CA THR A 14 3.156 4.828 -7.375 1.00 0.00 C ATOM 208 C THR A 14 3.752 3.762 -6.461 1.00 0.00 C ATOM 209 O THR A 14 3.725 3.895 -5.235 1.00 0.00 O ATOM 210 CB THR A 14 3.911 6.154 -7.195 1.00 0.00 C ATOM 211 OG1 THR A 14 3.204 7.231 -7.793 1.00 0.00 O ATOM 212 CG2 THR A 14 5.306 6.131 -7.787 1.00 0.00 C ATOM 0 H THR A 14 1.517 5.622 -6.331 1.00 0.00 H new ATOM 0 HA THR A 14 3.265 4.503 -8.410 1.00 0.00 H new ATOM 0 HB THR A 14 3.991 6.293 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.705 8.063 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.785 7.097 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.893 5.350 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.244 5.930 -8.857 1.00 0.00 H new ATOM 220 N PHE A 15 4.296 2.711 -7.070 1.00 0.00 N ATOM 221 CA PHE A 15 4.912 1.616 -6.324 1.00 0.00 C ATOM 222 C PHE A 15 6.428 1.786 -6.278 1.00 0.00 C ATOM 223 O PHE A 15 7.059 2.076 -7.297 1.00 0.00 O ATOM 224 CB PHE A 15 4.549 0.255 -6.945 1.00 0.00 C ATOM 225 CG PHE A 15 4.714 0.190 -8.443 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.919 -0.202 -9.009 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.662 0.523 -9.283 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.069 -0.261 -10.383 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.808 0.467 -10.657 1.00 0.00 C ATOM 230 CZ PHE A 15 5.013 0.076 -11.207 1.00 0.00 C ATOM 0 H PHE A 15 4.323 2.594 -8.083 1.00 0.00 H new ATOM 0 HA PHE A 15 4.525 1.643 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.170 -0.516 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.515 0.020 -6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.749 -0.464 -8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.717 0.830 -8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.011 -0.570 -10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.980 0.729 -11.300 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.129 0.034 -12.280 1.00 0.00 H new ATOM 240 N GLU A 16 7.006 1.604 -5.092 1.00 0.00 N ATOM 241 CA GLU A 16 8.448 1.735 -4.908 1.00 0.00 C ATOM 242 C GLU A 16 9.090 0.362 -4.712 1.00 0.00 C ATOM 243 O GLU A 16 9.128 -0.160 -3.595 1.00 0.00 O ATOM 244 CB GLU A 16 8.753 2.639 -3.709 1.00 0.00 C ATOM 245 CG GLU A 16 8.780 4.121 -4.053 1.00 0.00 C ATOM 246 CD GLU A 16 9.855 4.883 -3.296 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.885 4.794 -2.050 1.00 0.00 O ATOM 248 OE2 GLU A 16 10.667 5.568 -3.952 1.00 0.00 O ATOM 0 H GLU A 16 6.495 1.365 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 16 8.869 2.190 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.004 2.468 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.717 2.355 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.945 4.237 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.807 4.558 -3.831 1.00 0.00 H new ATOM 255 N PRO A 17 9.590 -0.249 -5.807 1.00 0.00 N ATOM 256 CA PRO A 17 10.225 -1.574 -5.763 1.00 0.00 C ATOM 257 C PRO A 17 11.611 -1.538 -5.115 1.00 0.00 C ATOM 258 O PRO A 17 12.626 -1.798 -5.766 1.00 0.00 O ATOM 259 CB PRO A 17 10.313 -1.968 -7.240 1.00 0.00 C ATOM 260 CG PRO A 17 10.377 -0.674 -7.976 1.00 0.00 C ATOM 261 CD PRO A 17 9.560 0.303 -7.176 1.00 0.00 C ATOM 0 HA PRO A 17 9.661 -2.283 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.195 -2.578 -7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.446 -2.554 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.407 -0.332 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.979 -0.780 -8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.987 1.305 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.541 0.377 -7.555 1.00 0.00 H new ATOM 269 N GLU A 18 11.636 -1.213 -3.824 1.00 0.00 N ATOM 270 CA GLU A 18 12.881 -1.136 -3.065 1.00 0.00 C ATOM 271 C GLU A 18 12.733 -1.804 -1.697 1.00 0.00 C ATOM 272 O GLU A 18 13.563 -2.627 -1.307 1.00 0.00 O ATOM 273 CB GLU A 18 13.313 0.324 -2.893 1.00 0.00 C ATOM 274 CG GLU A 18 12.186 1.267 -2.490 1.00 0.00 C ATOM 275 CD GLU A 18 12.539 2.718 -2.751 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.679 3.091 -3.935 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.681 3.480 -1.772 1.00 0.00 O ATOM 0 H GLU A 18 10.801 -0.997 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 18 13.649 -1.669 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.099 0.372 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.748 0.675 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.282 1.009 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.962 1.133 -1.432 1.00 0.00 H new ATOM 284 N ASN A 19 11.668 -1.444 -0.975 1.00 0.00 N ATOM 285 CA ASN A 19 11.403 -2.006 0.348 1.00 0.00 C ATOM 286 C ASN A 19 9.925 -2.388 0.508 1.00 0.00 C ATOM 287 O ASN A 19 9.376 -2.313 1.610 1.00 0.00 O ATOM 288 CB ASN A 19 11.806 -1.005 1.437 1.00 0.00 C ATOM 289 CG ASN A 19 12.463 -1.679 2.627 1.00 0.00 C ATOM 290 OD1 ASN A 19 11.840 -1.859 3.673 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.727 -2.062 2.474 1.00 0.00 N ATOM 0 H ASN A 19 10.975 -0.764 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 19 11.999 -2.912 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.491 -0.270 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.923 -0.462 1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.216 -2.524 3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.207 -1.894 1.590 1.00 0.00 H new ATOM 298 N GLN A 20 9.287 -2.802 -0.594 1.00 0.00 N ATOM 299 CA GLN A 20 7.874 -3.196 -0.577 1.00 0.00 C ATOM 300 C GLN A 20 6.990 -2.075 -0.013 1.00 0.00 C ATOM 301 O GLN A 20 6.289 -2.259 0.987 1.00 0.00 O ATOM 302 CB GLN A 20 7.690 -4.489 0.233 1.00 0.00 C ATOM 303 CG GLN A 20 6.634 -5.427 -0.341 1.00 0.00 C ATOM 304 CD GLN A 20 7.240 -6.630 -1.041 1.00 0.00 C ATOM 305 OE1 GLN A 20 7.539 -7.676 -0.278 1.00 0.00 O flip ATOM 306 NE2 GLN A 20 7.436 -6.620 -2.256 1.00 0.00 N flip ATOM 0 H GLN A 20 9.729 -2.873 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 20 7.562 -3.379 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.643 -5.016 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.416 -4.231 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.982 -5.769 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.010 -4.878 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.192 -5.796 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.843 -7.436 -2.714 1.00 0.00 H new ATOM 315 N MET A 21 7.029 -0.911 -0.667 1.00 0.00 N ATOM 316 CA MET A 21 6.232 0.238 -0.238 1.00 0.00 C ATOM 317 C MET A 21 5.712 1.025 -1.443 1.00 0.00 C ATOM 318 O MET A 21 6.208 0.866 -2.561 1.00 0.00 O ATOM 319 CB MET A 21 7.059 1.150 0.679 1.00 0.00 C ATOM 320 CG MET A 21 8.312 1.719 0.028 1.00 0.00 C ATOM 321 SD MET A 21 8.823 3.284 0.766 1.00 0.00 S ATOM 322 CE MET A 21 7.565 4.389 0.129 1.00 0.00 C ATOM 0 H MET A 21 7.603 -0.741 -1.493 1.00 0.00 H new ATOM 0 HA MET A 21 5.373 -0.135 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.431 1.975 1.014 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.348 0.588 1.567 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.124 0.997 0.117 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.130 1.865 -1.037 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.913 5.419 0.204 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.365 4.149 -0.915 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.650 4.272 0.710 1.00 0.00 H new ATOM 332 N PHE A 22 4.708 1.873 -1.210 1.00 0.00 N ATOM 333 CA PHE A 22 4.122 2.684 -2.279 1.00 0.00 C ATOM 334 C PHE A 22 3.567 3.998 -1.731 1.00 0.00 C ATOM 335 O PHE A 22 3.049 4.047 -0.612 1.00 0.00 O ATOM 336 CB PHE A 22 3.028 1.902 -3.023 1.00 0.00 C ATOM 337 CG PHE A 22 1.992 1.267 -2.134 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.309 0.175 -1.341 1.00 0.00 C ATOM 339 CD2 PHE A 22 0.696 1.758 -2.103 1.00 0.00 C ATOM 340 CE1 PHE A 22 1.354 -0.413 -0.533 1.00 0.00 C ATOM 341 CE2 PHE A 22 -0.262 1.176 -1.296 1.00 0.00 C ATOM 342 CZ PHE A 22 0.067 0.088 -0.510 1.00 0.00 C ATOM 0 H PHE A 22 4.285 2.016 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 22 4.914 2.922 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.527 2.577 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.501 1.123 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.314 -0.221 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.432 2.606 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.614 -1.263 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.267 1.571 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.681 -0.370 0.121 1.00 0.00 H new ATOM 352 N THR A 23 3.693 5.063 -2.526 1.00 0.00 N ATOM 353 CA THR A 23 3.219 6.387 -2.125 1.00 0.00 C ATOM 354 C THR A 23 2.444 7.076 -3.252 1.00 0.00 C ATOM 355 O THR A 23 2.472 6.632 -4.403 1.00 0.00 O ATOM 356 CB THR A 23 4.401 7.267 -1.690 1.00 0.00 C ATOM 357 OG1 THR A 23 5.353 7.401 -2.735 1.00 0.00 O ATOM 358 CG2 THR A 23 5.125 6.739 -0.466 1.00 0.00 C ATOM 0 H THR A 23 4.120 5.033 -3.452 1.00 0.00 H new ATOM 0 HA THR A 23 2.539 6.251 -1.284 1.00 0.00 H new ATOM 0 HB THR A 23 3.959 8.232 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.094 7.967 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.948 7.408 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.431 6.685 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.517 5.744 -0.676 1.00 0.00 H new ATOM 366 N TYR A 24 1.751 8.165 -2.906 1.00 0.00 N ATOM 367 CA TYR A 24 0.964 8.925 -3.877 1.00 0.00 C ATOM 368 C TYR A 24 0.828 10.388 -3.446 1.00 0.00 C ATOM 369 O TYR A 24 0.577 10.674 -2.275 1.00 0.00 O ATOM 370 CB TYR A 24 -0.425 8.296 -4.042 1.00 0.00 C ATOM 371 CG TYR A 24 -1.294 8.984 -5.075 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.962 10.165 -4.774 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.445 8.453 -6.350 1.00 0.00 C ATOM 374 CE1 TYR A 24 -2.756 10.796 -5.712 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.236 9.078 -7.294 1.00 0.00 C ATOM 376 CZ TYR A 24 -2.889 10.250 -6.970 1.00 0.00 C ATOM 377 OH TYR A 24 -3.679 10.877 -7.907 1.00 0.00 O ATOM 0 H TYR A 24 1.720 8.539 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 24 1.485 8.896 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.308 7.249 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.938 8.315 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.859 10.597 -3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.935 7.536 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.270 11.712 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.343 8.652 -8.281 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.665 10.364 -8.742 1.00 0.00 H new ATOM 387 N PRO A 25 0.985 11.339 -4.391 1.00 0.00 N ATOM 388 CA PRO A 25 0.872 12.775 -4.099 1.00 0.00 C ATOM 389 C PRO A 25 -0.547 13.179 -3.703 1.00 0.00 C ATOM 390 O PRO A 25 -1.423 13.326 -4.559 1.00 0.00 O ATOM 391 CB PRO A 25 1.274 13.443 -5.420 1.00 0.00 C ATOM 392 CG PRO A 25 0.996 12.417 -6.463 1.00 0.00 C ATOM 393 CD PRO A 25 1.278 11.091 -5.816 1.00 0.00 C ATOM 0 HA PRO A 25 1.495 13.068 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.698 14.352 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.326 13.728 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.038 12.475 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.628 12.568 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.647 10.302 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.312 10.782 -5.966 1.00 0.00 H new ATOM 401 N CYS A 26 -0.766 13.361 -2.401 1.00 0.00 N ATOM 402 CA CYS A 26 -2.076 13.755 -1.890 1.00 0.00 C ATOM 403 C CYS A 26 -2.472 15.130 -2.428 1.00 0.00 C ATOM 404 O CYS A 26 -1.637 16.033 -2.508 1.00 0.00 O ATOM 405 CB CYS A 26 -2.072 13.778 -0.358 1.00 0.00 C ATOM 406 SG CYS A 26 -3.692 14.161 0.389 1.00 0.00 S ATOM 0 H CYS A 26 -0.052 13.242 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.806 13.020 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.736 12.808 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.345 14.516 -0.019 1.00 0.00 H new ATOM 411 N PRO A 27 -3.756 15.306 -2.804 1.00 0.00 N ATOM 412 CA PRO A 27 -4.264 16.579 -3.334 1.00 0.00 C ATOM 413 C PRO A 27 -3.927 17.777 -2.441 1.00 0.00 C ATOM 414 O PRO A 27 -3.817 18.905 -2.927 1.00 0.00 O ATOM 415 CB PRO A 27 -5.778 16.361 -3.385 1.00 0.00 C ATOM 416 CG PRO A 27 -5.939 14.889 -3.526 1.00 0.00 C ATOM 417 CD PRO A 27 -4.811 14.276 -2.744 1.00 0.00 C ATOM 0 HA PRO A 27 -3.815 16.819 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.262 16.728 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.227 16.891 -4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.905 14.563 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.897 14.590 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.105 14.060 -1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.480 13.336 -3.185 1.00 0.00 H new ATOM 425 N CYS A 28 -3.764 17.531 -1.136 1.00 0.00 N ATOM 426 CA CYS A 28 -3.439 18.598 -0.189 1.00 0.00 C ATOM 427 C CYS A 28 -2.012 19.120 -0.401 1.00 0.00 C ATOM 428 O CYS A 28 -1.760 20.321 -0.264 1.00 0.00 O ATOM 429 CB CYS A 28 -3.622 18.110 1.256 1.00 0.00 C ATOM 430 SG CYS A 28 -2.135 17.364 2.001 1.00 0.00 S ATOM 0 H CYS A 28 -3.852 16.606 -0.715 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.127 19.424 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.937 18.952 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.429 17.378 1.279 1.00 0.00 H new ATOM 435 N GLY A 29 -1.085 18.217 -0.736 1.00 0.00 N ATOM 436 CA GLY A 29 0.299 18.614 -0.961 1.00 0.00 C ATOM 437 C GLY A 29 1.300 17.532 -0.585 1.00 0.00 C ATOM 438 O GLY A 29 2.259 17.286 -1.320 1.00 0.00 O ATOM 0 H GLY A 29 -1.269 17.221 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.430 18.872 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.511 19.513 -0.383 1.00 0.00 H new ATOM 442 N ASP A 30 1.081 16.888 0.564 1.00 0.00 N ATOM 443 CA ASP A 30 1.975 15.830 1.042 1.00 0.00 C ATOM 444 C ASP A 30 1.873 14.574 0.170 1.00 0.00 C ATOM 445 O ASP A 30 1.142 14.551 -0.821 1.00 0.00 O ATOM 446 CB ASP A 30 1.653 15.488 2.501 1.00 0.00 C ATOM 447 CG ASP A 30 2.890 15.134 3.304 1.00 0.00 C ATOM 448 OD1 ASP A 30 3.639 16.060 3.682 1.00 0.00 O ATOM 449 OD2 ASP A 30 3.112 13.929 3.553 1.00 0.00 O ATOM 0 H ASP A 30 0.292 17.081 1.181 1.00 0.00 H new ATOM 0 HA ASP A 30 2.998 16.200 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.152 16.337 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.955 14.651 2.529 1.00 0.00 H new ATOM 454 N ARG A 31 2.614 13.530 0.546 1.00 0.00 N ATOM 455 CA ARG A 31 2.608 12.276 -0.200 1.00 0.00 C ATOM 456 C ARG A 31 2.182 11.111 0.690 1.00 0.00 C ATOM 457 O ARG A 31 2.849 10.796 1.678 1.00 0.00 O ATOM 458 CB ARG A 31 3.996 12.001 -0.787 1.00 0.00 C ATOM 459 CG ARG A 31 3.963 11.268 -2.118 1.00 0.00 C ATOM 460 CD ARG A 31 4.052 12.236 -3.289 1.00 0.00 C ATOM 461 NE ARG A 31 5.432 12.439 -3.736 1.00 0.00 N ATOM 462 CZ ARG A 31 5.837 13.481 -4.468 1.00 0.00 C ATOM 463 NH1 ARG A 31 4.975 14.426 -4.835 1.00 0.00 N ATOM 464 NH2 ARG A 31 7.110 13.579 -4.834 1.00 0.00 N ATOM 0 H ARG A 31 3.225 13.531 1.363 1.00 0.00 H new ATOM 0 HA ARG A 31 1.887 12.371 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.520 12.948 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.573 11.413 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.791 10.560 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.043 10.688 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.456 11.856 -4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.621 13.194 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 31 6.128 11.741 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.996 14.359 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.294 15.218 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.777 12.859 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.420 14.374 -5.393 1.00 0.00 H new ATOM 478 N PHE A 32 1.072 10.468 0.323 1.00 0.00 N ATOM 479 CA PHE A 32 0.560 9.328 1.077 1.00 0.00 C ATOM 480 C PHE A 32 1.595 8.205 1.115 1.00 0.00 C ATOM 481 O PHE A 32 2.301 7.975 0.135 1.00 0.00 O ATOM 482 CB PHE A 32 -0.747 8.817 0.456 1.00 0.00 C ATOM 483 CG PHE A 32 -1.334 7.634 1.177 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.589 7.691 2.538 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.621 6.462 0.494 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.119 6.603 3.204 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.154 5.371 1.155 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.401 5.442 2.512 1.00 0.00 C ATOM 0 H PHE A 32 0.512 10.719 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 32 0.359 9.655 2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.477 9.626 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.563 8.544 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.371 8.597 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.426 6.401 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.313 6.660 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.377 4.465 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.814 4.590 3.031 1.00 0.00 H new ATOM 498 N GLN A 33 1.681 7.513 2.250 1.00 0.00 N ATOM 499 CA GLN A 33 2.635 6.417 2.412 1.00 0.00 C ATOM 500 C GLN A 33 1.983 5.212 3.087 1.00 0.00 C ATOM 501 O GLN A 33 1.135 5.367 3.969 1.00 0.00 O ATOM 502 CB GLN A 33 3.846 6.882 3.228 1.00 0.00 C ATOM 503 CG GLN A 33 3.483 7.523 4.561 1.00 0.00 C ATOM 504 CD GLN A 33 4.305 8.764 4.857 1.00 0.00 C ATOM 505 OE1 GLN A 33 5.399 8.676 5.415 1.00 0.00 O ATOM 506 NE2 GLN A 33 3.784 9.928 4.484 1.00 0.00 N ATOM 0 H GLN A 33 1.102 7.692 3.071 1.00 0.00 H new ATOM 0 HA GLN A 33 2.967 6.113 1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.497 6.028 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.418 7.597 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.425 7.785 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.628 6.797 5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.874 9.955 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.294 10.794 4.657 1.00 0.00 H new ATOM 515 N ILE A 34 2.387 4.011 2.664 1.00 0.00 N ATOM 516 CA ILE A 34 1.847 2.771 3.221 1.00 0.00 C ATOM 517 C ILE A 34 2.575 1.548 2.649 1.00 0.00 C ATOM 518 O ILE A 34 3.046 1.572 1.508 1.00 0.00 O ATOM 519 CB ILE A 34 0.327 2.652 2.951 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.252 1.394 3.608 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.042 2.661 1.455 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.723 1.517 3.952 1.00 0.00 C ATOM 0 H ILE A 34 3.088 3.873 1.936 1.00 0.00 H new ATOM 0 HA ILE A 34 2.007 2.802 4.299 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.162 3.518 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.113 0.546 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.309 1.177 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.032 2.576 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.404 3.593 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.550 1.820 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.067 0.592 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.866 2.344 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.295 1.704 3.043 1.00 0.00 H new ATOM 534 N TYR A 35 2.669 0.485 3.450 1.00 0.00 N ATOM 535 CA TYR A 35 3.342 -0.744 3.028 1.00 0.00 C ATOM 536 C TYR A 35 2.331 -1.791 2.561 1.00 0.00 C ATOM 537 O TYR A 35 1.148 -1.721 2.905 1.00 0.00 O ATOM 538 CB TYR A 35 4.187 -1.308 4.176 1.00 0.00 C ATOM 539 CG TYR A 35 5.354 -0.425 4.560 1.00 0.00 C ATOM 540 CD1 TYR A 35 5.166 0.708 5.344 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.643 -0.721 4.136 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.229 1.520 5.691 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.711 0.085 4.481 1.00 0.00 C ATOM 544 CZ TYR A 35 7.499 1.204 5.258 1.00 0.00 C ATOM 545 OH TYR A 35 8.560 2.011 5.601 1.00 0.00 O ATOM 0 H TYR A 35 2.287 0.451 4.395 1.00 0.00 H new ATOM 0 HA TYR A 35 3.995 -0.500 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.549 -1.453 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.564 -2.290 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.173 0.957 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.813 -1.596 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.066 2.398 6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.707 -0.160 4.144 1.00 0.00 H new ATOM 0 HH TYR A 35 9.385 1.647 5.217 1.00 0.00 H new ATOM 555 N LEU A 36 2.804 -2.762 1.777 1.00 0.00 N ATOM 556 CA LEU A 36 1.941 -3.829 1.264 1.00 0.00 C ATOM 557 C LEU A 36 1.329 -4.629 2.413 1.00 0.00 C ATOM 558 O LEU A 36 0.134 -4.925 2.402 1.00 0.00 O ATOM 559 CB LEU A 36 2.726 -4.760 0.331 1.00 0.00 C ATOM 560 CG LEU A 36 2.975 -4.211 -1.077 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.070 -3.156 -1.054 1.00 0.00 C ATOM 562 CD2 LEU A 36 3.333 -5.338 -2.037 1.00 0.00 C ATOM 0 H LEU A 36 3.778 -2.832 1.484 1.00 0.00 H new ATOM 0 HA LEU A 36 1.135 -3.366 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.688 -4.984 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.186 -5.703 0.246 1.00 0.00 H new ATOM 0 HG LEU A 36 2.056 -3.742 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.232 -2.778 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.770 -2.335 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.993 -3.598 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.506 -4.927 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.236 -5.839 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.513 -6.055 -2.078 1.00 0.00 H new ATOM 574 N ASP A 37 2.154 -4.963 3.409 1.00 0.00 N ATOM 575 CA ASP A 37 1.688 -5.716 4.574 1.00 0.00 C ATOM 576 C ASP A 37 0.551 -4.973 5.278 1.00 0.00 C ATOM 577 O ASP A 37 -0.426 -5.588 5.712 1.00 0.00 O ATOM 578 CB ASP A 37 2.839 -5.968 5.552 1.00 0.00 C ATOM 579 CG ASP A 37 2.761 -7.338 6.201 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.819 -8.348 5.468 1.00 0.00 O ATOM 581 OD2 ASP A 37 2.643 -7.400 7.442 1.00 0.00 O ATOM 0 H ASP A 37 3.145 -4.724 3.431 1.00 0.00 H new ATOM 0 HA ASP A 37 1.312 -6.678 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.788 -5.873 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.828 -5.201 6.327 1.00 0.00 H new ATOM 586 N ASP A 38 0.680 -3.645 5.376 1.00 0.00 N ATOM 587 CA ASP A 38 -0.345 -2.817 6.013 1.00 0.00 C ATOM 588 C ASP A 38 -1.680 -2.958 5.280 1.00 0.00 C ATOM 589 O ASP A 38 -2.732 -3.076 5.908 1.00 0.00 O ATOM 590 CB ASP A 38 0.085 -1.344 6.036 1.00 0.00 C ATOM 591 CG ASP A 38 1.041 -1.031 7.172 1.00 0.00 C ATOM 592 OD1 ASP A 38 0.580 -0.946 8.330 1.00 0.00 O ATOM 593 OD2 ASP A 38 2.249 -0.868 6.903 1.00 0.00 O ATOM 0 H ASP A 38 1.482 -3.124 5.023 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.468 -3.162 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.560 -1.094 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.799 -0.713 6.126 1.00 0.00 H new ATOM 598 N MET A 39 -1.626 -2.961 3.945 1.00 0.00 N ATOM 599 CA MET A 39 -2.830 -3.103 3.125 1.00 0.00 C ATOM 600 C MET A 39 -3.105 -4.575 2.791 1.00 0.00 C ATOM 601 O MET A 39 -3.618 -4.890 1.717 1.00 0.00 O ATOM 602 CB MET A 39 -2.693 -2.290 1.831 1.00 0.00 C ATOM 603 CG MET A 39 -2.613 -0.789 2.056 1.00 0.00 C ATOM 604 SD MET A 39 -3.536 0.148 0.822 1.00 0.00 S ATOM 605 CE MET A 39 -5.104 0.362 1.661 1.00 0.00 C ATOM 0 H MET A 39 -0.762 -2.867 3.411 1.00 0.00 H new ATOM 0 HA MET A 39 -3.673 -2.721 3.701 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.799 -2.617 1.300 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.544 -2.506 1.185 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.998 -0.553 3.048 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.569 -0.478 2.037 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.917 0.275 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.214 -0.405 2.427 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.136 1.347 2.127 1.00 0.00 H new ATOM 615 N PHE A 40 -2.767 -5.472 3.718 1.00 0.00 N ATOM 616 CA PHE A 40 -2.984 -6.905 3.525 1.00 0.00 C ATOM 617 C PHE A 40 -3.565 -7.543 4.788 1.00 0.00 C ATOM 618 O PHE A 40 -4.538 -8.297 4.718 1.00 0.00 O ATOM 619 CB PHE A 40 -1.675 -7.600 3.133 1.00 0.00 C ATOM 620 CG PHE A 40 -1.819 -9.079 2.884 1.00 0.00 C ATOM 621 CD1 PHE A 40 -2.872 -9.575 2.128 1.00 0.00 C ATOM 622 CD2 PHE A 40 -0.901 -9.974 3.412 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.002 -10.933 1.902 1.00 0.00 C ATOM 624 CE2 PHE A 40 -1.027 -11.332 3.189 1.00 0.00 C ATOM 625 CZ PHE A 40 -2.080 -11.812 2.434 1.00 0.00 C ATOM 0 H PHE A 40 -2.341 -5.230 4.612 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.702 -7.032 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.279 -7.127 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.942 -7.445 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.598 -8.893 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.077 -9.605 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.824 -11.306 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.303 -12.017 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.182 -12.873 2.260 1.00 0.00 H new ATOM 635 N GLU A 41 -2.966 -7.232 5.941 1.00 0.00 N ATOM 636 CA GLU A 41 -3.429 -7.770 7.221 1.00 0.00 C ATOM 637 C GLU A 41 -4.890 -7.387 7.478 1.00 0.00 C ATOM 638 O GLU A 41 -5.693 -8.225 7.895 1.00 0.00 O ATOM 639 CB GLU A 41 -2.542 -7.264 8.365 1.00 0.00 C ATOM 640 CG GLU A 41 -2.787 -7.975 9.688 1.00 0.00 C ATOM 641 CD GLU A 41 -2.336 -7.157 10.883 1.00 0.00 C ATOM 642 OE1 GLU A 41 -1.112 -7.067 11.114 1.00 0.00 O ATOM 643 OE2 GLU A 41 -3.208 -6.607 11.589 1.00 0.00 O ATOM 0 H GLU A 41 -2.160 -6.611 6.013 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.361 -8.857 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.496 -7.388 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.712 -6.196 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.850 -8.198 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.260 -8.929 9.686 1.00 0.00 H new ATOM 650 N GLY A 42 -5.227 -6.121 7.222 1.00 0.00 N ATOM 651 CA GLY A 42 -6.590 -5.655 7.426 1.00 0.00 C ATOM 652 C GLY A 42 -6.709 -4.141 7.379 1.00 0.00 C ATOM 653 O GLY A 42 -6.987 -3.505 8.398 1.00 0.00 O ATOM 0 H GLY A 42 -4.580 -5.412 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.235 -6.089 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.951 -6.013 8.390 1.00 0.00 H new ATOM 657 N GLU A 43 -6.499 -3.563 6.195 1.00 0.00 N ATOM 658 CA GLU A 43 -6.584 -2.113 6.021 1.00 0.00 C ATOM 659 C GLU A 43 -7.175 -1.747 4.658 1.00 0.00 C ATOM 660 O GLU A 43 -7.107 -2.531 3.709 1.00 0.00 O ATOM 661 CB GLU A 43 -5.200 -1.477 6.175 1.00 0.00 C ATOM 662 CG GLU A 43 -5.238 -0.060 6.725 1.00 0.00 C ATOM 663 CD GLU A 43 -4.866 0.003 8.193 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.655 -0.010 8.499 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.785 0.065 9.036 1.00 0.00 O ATOM 0 H GLU A 43 -6.269 -4.076 5.344 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.247 -1.725 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.596 -2.098 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.704 -1.468 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.554 0.567 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.238 0.352 6.589 1.00 0.00 H new ATOM 672 N LYS A 44 -7.750 -0.546 4.576 1.00 0.00 N ATOM 673 CA LYS A 44 -8.355 -0.055 3.337 1.00 0.00 C ATOM 674 C LYS A 44 -8.404 1.475 3.316 1.00 0.00 C ATOM 675 O LYS A 44 -8.025 2.101 2.325 1.00 0.00 O ATOM 676 CB LYS A 44 -9.768 -0.627 3.161 1.00 0.00 C ATOM 677 CG LYS A 44 -10.627 -0.558 4.417 1.00 0.00 C ATOM 678 CD LYS A 44 -11.784 -1.544 4.356 1.00 0.00 C ATOM 679 CE LYS A 44 -12.093 -2.128 5.727 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.795 -1.151 6.608 1.00 0.00 N ATOM 0 H LYS A 44 -7.809 0.107 5.357 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.732 -0.391 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.271 -0.085 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.691 -1.667 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.012 -0.771 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.015 0.453 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.670 -1.043 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.541 -2.349 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.710 -3.019 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.165 -2.444 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.986 -1.591 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.196 -0.311 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.693 -0.869 6.167 1.00 0.00 H new ATOM 694 N VAL A 45 -8.867 2.072 4.417 1.00 0.00 N ATOM 695 CA VAL A 45 -8.959 3.526 4.526 1.00 0.00 C ATOM 696 C VAL A 45 -7.832 4.077 5.398 1.00 0.00 C ATOM 697 O VAL A 45 -7.704 3.716 6.570 1.00 0.00 O ATOM 698 CB VAL A 45 -10.328 3.971 5.097 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.553 3.419 6.499 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.449 5.491 5.088 1.00 0.00 C ATOM 0 H VAL A 45 -9.184 1.568 5.245 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.862 3.930 3.518 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.105 3.561 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.523 3.751 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.529 2.330 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.768 3.781 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.418 5.781 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.656 5.923 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.359 5.857 4.065 1.00 0.00 H new ATOM 710 N ALA A 46 -7.013 4.949 4.814 1.00 0.00 N ATOM 711 CA ALA A 46 -5.893 5.550 5.531 1.00 0.00 C ATOM 712 C ALA A 46 -6.118 7.045 5.752 1.00 0.00 C ATOM 713 O ALA A 46 -7.091 7.616 5.252 1.00 0.00 O ATOM 714 CB ALA A 46 -4.596 5.307 4.774 1.00 0.00 C ATOM 0 H ALA A 46 -7.105 5.255 3.845 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.821 5.078 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.767 5.760 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.425 4.235 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.665 5.752 3.782 1.00 0.00 H new ATOM 720 N VAL A 47 -5.217 7.673 6.509 1.00 0.00 N ATOM 721 CA VAL A 47 -5.322 9.100 6.802 1.00 0.00 C ATOM 722 C VAL A 47 -4.019 9.832 6.487 1.00 0.00 C ATOM 723 O VAL A 47 -2.928 9.342 6.793 1.00 0.00 O ATOM 724 CB VAL A 47 -5.694 9.346 8.283 1.00 0.00 C ATOM 725 CG1 VAL A 47 -6.013 10.815 8.526 1.00 0.00 C ATOM 726 CG2 VAL A 47 -6.867 8.466 8.697 1.00 0.00 C ATOM 0 H VAL A 47 -4.408 7.215 6.929 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.114 9.492 6.164 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.833 9.080 8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.272 10.963 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.142 11.422 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.854 11.113 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.112 8.655 9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.732 8.695 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.597 7.417 8.571 1.00 0.00 H new ATOM 736 N CYS A 48 -4.144 11.012 5.879 1.00 0.00 N ATOM 737 CA CYS A 48 -2.981 11.826 5.525 1.00 0.00 C ATOM 738 C CYS A 48 -2.446 12.566 6.752 1.00 0.00 C ATOM 739 O CYS A 48 -3.220 13.123 7.534 1.00 0.00 O ATOM 740 CB CYS A 48 -3.349 12.833 4.430 1.00 0.00 C ATOM 741 SG CYS A 48 -1.983 13.935 3.935 1.00 0.00 S ATOM 0 H CYS A 48 -5.040 11.426 5.621 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.202 11.162 5.150 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.696 12.287 3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.184 13.442 4.778 1.00 0.00 H new ATOM 746 N PRO A 49 -1.110 12.585 6.940 1.00 0.00 N ATOM 747 CA PRO A 49 -0.477 13.261 8.076 1.00 0.00 C ATOM 748 C PRO A 49 -0.251 14.761 7.842 1.00 0.00 C ATOM 749 O PRO A 49 0.601 15.374 8.492 1.00 0.00 O ATOM 750 CB PRO A 49 0.855 12.523 8.194 1.00 0.00 C ATOM 751 CG PRO A 49 1.197 12.134 6.794 1.00 0.00 C ATOM 752 CD PRO A 49 -0.111 11.946 6.061 1.00 0.00 C ATOM 0 HA PRO A 49 -1.096 13.226 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.625 13.162 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.767 11.648 8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.801 12.905 6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.783 11.215 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.088 12.415 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.333 10.890 5.906 1.00 0.00 H new ATOM 760 N SER A 50 -1.017 15.348 6.919 1.00 0.00 N ATOM 761 CA SER A 50 -0.902 16.770 6.606 1.00 0.00 C ATOM 762 C SER A 50 -2.278 17.434 6.600 1.00 0.00 C ATOM 763 O SER A 50 -2.515 18.390 7.342 1.00 0.00 O ATOM 764 CB SER A 50 -0.210 16.960 5.254 1.00 0.00 C ATOM 765 OG SER A 50 1.173 16.664 5.351 1.00 0.00 O ATOM 0 H SER A 50 -1.726 14.856 6.375 1.00 0.00 H new ATOM 0 HA SER A 50 -0.297 17.246 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.674 16.313 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.344 17.987 4.913 1.00 0.00 H new ATOM 0 HG SER A 50 1.693 17.396 4.959 1.00 0.00 H new ATOM 771 N CYS A 51 -3.185 16.917 5.768 1.00 0.00 N ATOM 772 CA CYS A 51 -4.542 17.460 5.682 1.00 0.00 C ATOM 773 C CYS A 51 -5.521 16.678 6.568 1.00 0.00 C ATOM 774 O CYS A 51 -6.600 17.178 6.897 1.00 0.00 O ATOM 775 CB CYS A 51 -5.034 17.458 4.230 1.00 0.00 C ATOM 776 SG CYS A 51 -5.387 15.803 3.553 1.00 0.00 S ATOM 0 H CYS A 51 -3.006 16.127 5.148 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.505 18.487 6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.938 18.063 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.282 17.940 3.604 1.00 0.00 H new ATOM 781 N SER A 52 -5.144 15.450 6.947 1.00 0.00 N ATOM 782 CA SER A 52 -5.991 14.600 7.788 1.00 0.00 C ATOM 783 C SER A 52 -7.306 14.259 7.077 1.00 0.00 C ATOM 784 O SER A 52 -8.377 14.248 7.690 1.00 0.00 O ATOM 785 CB SER A 52 -6.264 15.282 9.136 1.00 0.00 C ATOM 786 OG SER A 52 -5.279 14.933 10.094 1.00 0.00 O ATOM 0 H SER A 52 -4.256 15.024 6.683 1.00 0.00 H new ATOM 0 HA SER A 52 -5.459 13.667 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.279 16.364 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.249 14.992 9.501 1.00 0.00 H new ATOM 0 HG SER A 52 -5.475 15.382 10.943 1.00 0.00 H new ATOM 792 N LEU A 53 -7.210 13.977 5.777 1.00 0.00 N ATOM 793 CA LEU A 53 -8.378 13.632 4.970 1.00 0.00 C ATOM 794 C LEU A 53 -8.550 12.115 4.881 1.00 0.00 C ATOM 795 O LEU A 53 -7.568 11.373 4.797 1.00 0.00 O ATOM 796 CB LEU A 53 -8.238 14.233 3.566 1.00 0.00 C ATOM 797 CG LEU A 53 -9.413 13.973 2.618 1.00 0.00 C ATOM 798 CD1 LEU A 53 -10.476 15.050 2.777 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.927 13.906 1.177 1.00 0.00 C ATOM 0 H LEU A 53 -6.331 13.981 5.260 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.265 14.047 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.103 15.310 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.331 13.838 3.109 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.860 13.013 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.303 14.849 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.843 15.050 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.045 16.024 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.773 13.721 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.456 14.851 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.203 13.098 1.074 1.00 0.00 H new ATOM 811 N MET A 54 -9.805 11.662 4.895 1.00 0.00 N ATOM 812 CA MET A 54 -10.108 10.234 4.812 1.00 0.00 C ATOM 813 C MET A 54 -10.318 9.810 3.360 1.00 0.00 C ATOM 814 O MET A 54 -11.100 10.426 2.630 1.00 0.00 O ATOM 815 CB MET A 54 -11.351 9.897 5.643 1.00 0.00 C ATOM 816 CG MET A 54 -11.044 9.594 7.102 1.00 0.00 C ATOM 817 SD MET A 54 -12.492 9.024 8.014 1.00 0.00 S ATOM 818 CE MET A 54 -12.855 10.467 9.012 1.00 0.00 C ATOM 0 H MET A 54 -10.626 12.263 4.963 1.00 0.00 H new ATOM 0 HA MET A 54 -9.258 9.684 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.049 10.733 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.852 9.037 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 54 -10.264 8.834 7.155 1.00 0.00 H new ATOM 0 HG3 MET A 54 -10.649 10.490 7.580 1.00 0.00 H new ATOM 0 HE1 MET A 54 -13.729 10.269 9.633 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.000 10.693 9.649 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.057 11.318 8.361 1.00 0.00 H new ATOM 828 N ILE A 55 -9.609 8.759 2.947 1.00 0.00 N ATOM 829 CA ILE A 55 -9.708 8.252 1.579 1.00 0.00 C ATOM 830 C ILE A 55 -9.755 6.725 1.551 1.00 0.00 C ATOM 831 O ILE A 55 -9.029 6.058 2.292 1.00 0.00 O ATOM 832 CB ILE A 55 -8.521 8.732 0.711 1.00 0.00 C ATOM 833 CG1 ILE A 55 -7.186 8.314 1.343 1.00 0.00 C ATOM 834 CG2 ILE A 55 -8.573 10.242 0.517 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.027 8.307 0.369 1.00 0.00 C ATOM 0 H ILE A 55 -8.960 8.243 3.541 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.637 8.647 1.168 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.600 8.259 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.955 8.992 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.294 7.318 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.730 10.559 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.505 10.513 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.522 10.735 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.118 8.002 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.236 7.607 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.892 9.307 -0.043 1.00 0.00 H new ATOM 847 N ASP A 56 -10.605 6.177 0.681 1.00 0.00 N ATOM 848 CA ASP A 56 -10.738 4.728 0.545 1.00 0.00 C ATOM 849 C ASP A 56 -9.932 4.227 -0.652 1.00 0.00 C ATOM 850 O ASP A 56 -10.446 4.159 -1.769 1.00 0.00 O ATOM 851 CB ASP A 56 -12.210 4.324 0.377 1.00 0.00 C ATOM 852 CG ASP A 56 -13.039 4.515 1.637 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.460 4.523 2.745 1.00 0.00 O ATOM 854 OD2 ASP A 56 -14.274 4.651 1.515 1.00 0.00 O ATOM 0 H ASP A 56 -11.210 6.715 0.061 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.351 4.272 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.650 4.910 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.259 3.278 0.074 1.00 0.00 H new ATOM 859 N VAL A 57 -8.669 3.875 -0.419 1.00 0.00 N ATOM 860 CA VAL A 57 -7.815 3.377 -1.493 1.00 0.00 C ATOM 861 C VAL A 57 -7.982 1.867 -1.662 1.00 0.00 C ATOM 862 O VAL A 57 -7.646 1.087 -0.768 1.00 0.00 O ATOM 863 CB VAL A 57 -6.322 3.722 -1.261 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.805 3.104 0.030 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.479 3.277 -2.449 1.00 0.00 C ATOM 0 H VAL A 57 -8.219 3.925 0.495 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.133 3.878 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.240 4.805 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.755 3.365 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.383 3.484 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.906 2.020 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.434 3.528 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.576 2.199 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.823 3.785 -3.350 1.00 0.00 H new ATOM 875 N VAL A 58 -8.517 1.464 -2.814 1.00 0.00 N ATOM 876 CA VAL A 58 -8.738 0.052 -3.105 1.00 0.00 C ATOM 877 C VAL A 58 -7.447 -0.630 -3.553 1.00 0.00 C ATOM 878 O VAL A 58 -6.629 -0.036 -4.259 1.00 0.00 O ATOM 879 CB VAL A 58 -9.836 -0.146 -4.178 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.424 0.468 -5.511 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.166 -1.625 -4.342 1.00 0.00 C ATOM 0 H VAL A 58 -8.805 2.097 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.077 -0.411 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.733 0.371 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.216 0.312 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.254 1.537 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.507 -0.006 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.940 -1.743 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.271 -2.166 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.524 -2.025 -3.393 1.00 0.00 H new ATOM 891 N PHE A 59 -7.275 -1.878 -3.130 1.00 0.00 N ATOM 892 CA PHE A 59 -6.090 -2.659 -3.472 1.00 0.00 C ATOM 893 C PHE A 59 -6.485 -4.057 -3.959 1.00 0.00 C ATOM 894 O PHE A 59 -7.669 -4.402 -3.979 1.00 0.00 O ATOM 895 CB PHE A 59 -5.163 -2.764 -2.253 1.00 0.00 C ATOM 896 CG PHE A 59 -5.767 -3.514 -1.094 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.668 -2.894 -0.240 1.00 0.00 C ATOM 898 CD2 PHE A 59 -5.438 -4.839 -0.863 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.227 -3.584 0.819 1.00 0.00 C ATOM 900 CE2 PHE A 59 -5.993 -5.533 0.195 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.889 -4.905 1.037 1.00 0.00 C ATOM 0 H PHE A 59 -7.947 -2.374 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.561 -2.152 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.239 -3.259 -2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.895 -1.760 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.935 -1.861 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.738 -5.336 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.928 -3.090 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.726 -6.566 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.325 -5.446 1.864 1.00 0.00 H new ATOM 911 N ASP A 60 -5.490 -4.857 -4.344 1.00 0.00 N ATOM 912 CA ASP A 60 -5.730 -6.219 -4.826 1.00 0.00 C ATOM 913 C ASP A 60 -4.973 -7.241 -3.969 1.00 0.00 C ATOM 914 O ASP A 60 -4.467 -6.912 -2.895 1.00 0.00 O ATOM 915 CB ASP A 60 -5.297 -6.339 -6.295 1.00 0.00 C ATOM 916 CG ASP A 60 -6.239 -7.197 -7.120 1.00 0.00 C ATOM 917 OD1 ASP A 60 -6.123 -8.440 -7.054 1.00 0.00 O ATOM 918 OD2 ASP A 60 -7.089 -6.627 -7.836 1.00 0.00 O ATOM 0 H ASP A 60 -4.507 -4.585 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.797 -6.430 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.241 -5.343 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.294 -6.763 -6.339 1.00 0.00 H new ATOM 923 N LYS A 61 -4.892 -8.480 -4.457 1.00 0.00 N ATOM 924 CA LYS A 61 -4.187 -9.550 -3.754 1.00 0.00 C ATOM 925 C LYS A 61 -2.961 -9.990 -4.552 1.00 0.00 C ATOM 926 O LYS A 61 -1.874 -10.161 -3.994 1.00 0.00 O ATOM 927 CB LYS A 61 -5.119 -10.743 -3.519 1.00 0.00 C ATOM 928 CG LYS A 61 -5.963 -10.621 -2.260 1.00 0.00 C ATOM 929 CD LYS A 61 -5.202 -11.096 -1.033 1.00 0.00 C ATOM 930 CE LYS A 61 -6.097 -11.885 -0.089 1.00 0.00 C ATOM 931 NZ LYS A 61 -6.064 -13.349 -0.373 1.00 0.00 N ATOM 0 H LYS A 61 -5.309 -8.767 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.859 -9.169 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.779 -10.852 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.522 -11.653 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.266 -9.583 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.875 -11.207 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.362 -11.718 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.786 -10.237 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.782 -11.709 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.122 -11.523 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.688 -13.846 0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.389 -13.521 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.092 -13.702 -0.266 1.00 0.00 H new ATOM 945 N GLU A 62 -3.143 -10.165 -5.865 1.00 0.00 N ATOM 946 CA GLU A 62 -2.053 -10.576 -6.749 1.00 0.00 C ATOM 947 C GLU A 62 -0.927 -9.541 -6.757 1.00 0.00 C ATOM 948 O GLU A 62 0.246 -9.900 -6.866 1.00 0.00 O ATOM 949 CB GLU A 62 -2.569 -10.794 -8.173 1.00 0.00 C ATOM 950 CG GLU A 62 -3.045 -12.215 -8.433 1.00 0.00 C ATOM 951 CD GLU A 62 -3.993 -12.310 -9.612 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.509 -12.340 -10.762 1.00 0.00 O ATOM 953 OE2 GLU A 62 -5.220 -12.357 -9.383 1.00 0.00 O ATOM 0 H GLU A 62 -4.037 -10.028 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.654 -11.516 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.390 -10.103 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.776 -10.549 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.182 -12.855 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.542 -12.596 -7.541 1.00 0.00 H new ATOM 960 N ASP A 63 -1.285 -8.258 -6.634 1.00 0.00 N ATOM 961 CA ASP A 63 -0.289 -7.183 -6.620 1.00 0.00 C ATOM 962 C ASP A 63 0.743 -7.396 -5.506 1.00 0.00 C ATOM 963 O ASP A 63 1.911 -7.039 -5.664 1.00 0.00 O ATOM 964 CB ASP A 63 -0.954 -5.798 -6.482 1.00 0.00 C ATOM 965 CG ASP A 63 -1.917 -5.672 -5.302 1.00 0.00 C ATOM 966 OD1 ASP A 63 -2.088 -6.652 -4.545 1.00 0.00 O ATOM 967 OD2 ASP A 63 -2.504 -4.582 -5.137 1.00 0.00 O ATOM 0 H ASP A 63 -2.250 -7.941 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 63 0.231 -7.213 -7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.174 -5.043 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.495 -5.576 -7.402 1.00 0.00 H new ATOM 972 N LEU A 64 0.310 -7.989 -4.389 1.00 0.00 N ATOM 973 CA LEU A 64 1.206 -8.258 -3.263 1.00 0.00 C ATOM 974 C LEU A 64 2.047 -9.504 -3.531 1.00 0.00 C ATOM 975 O LEU A 64 3.276 -9.462 -3.450 1.00 0.00 O ATOM 976 CB LEU A 64 0.414 -8.436 -1.964 1.00 0.00 C ATOM 977 CG LEU A 64 0.199 -7.154 -1.155 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.144 -6.523 -1.496 1.00 0.00 C ATOM 979 CD2 LEU A 64 0.298 -7.441 0.337 1.00 0.00 C ATOM 0 H LEU A 64 -0.653 -8.291 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 64 1.869 -7.400 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.560 -8.863 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.933 -9.161 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 64 0.984 -6.445 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.278 -5.613 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.172 -6.279 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.945 -7.225 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.143 -6.518 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.463 -8.169 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.286 -7.842 0.566 1.00 0.00 H new ATOM 991 N ALA A 65 1.377 -10.611 -3.862 1.00 0.00 N ATOM 992 CA ALA A 65 2.065 -11.869 -4.155 1.00 0.00 C ATOM 993 C ALA A 65 3.090 -11.680 -5.275 1.00 0.00 C ATOM 994 O ALA A 65 4.187 -12.239 -5.225 1.00 0.00 O ATOM 995 CB ALA A 65 1.060 -12.952 -4.527 1.00 0.00 C ATOM 0 H ALA A 65 0.361 -10.661 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 65 2.597 -12.184 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.589 -13.881 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.371 -13.110 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.500 -12.641 -5.409 1.00 0.00 H new ATOM 1001 N GLU A 66 2.724 -10.875 -6.275 1.00 0.00 N ATOM 1002 CA GLU A 66 3.606 -10.591 -7.404 1.00 0.00 C ATOM 1003 C GLU A 66 4.803 -9.746 -6.959 1.00 0.00 C ATOM 1004 O GLU A 66 5.931 -9.976 -7.394 1.00 0.00 O ATOM 1005 CB GLU A 66 2.834 -9.869 -8.514 1.00 0.00 C ATOM 1006 CG GLU A 66 3.489 -9.965 -9.886 1.00 0.00 C ATOM 1007 CD GLU A 66 2.800 -9.102 -10.929 1.00 0.00 C ATOM 1008 OE1 GLU A 66 1.551 -9.113 -10.985 1.00 0.00 O ATOM 1009 OE2 GLU A 66 3.511 -8.415 -11.693 1.00 0.00 O ATOM 0 H GLU A 66 1.819 -10.408 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 66 3.979 -11.539 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.828 -10.285 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.729 -8.818 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.534 -9.666 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.479 -11.004 -10.216 1.00 0.00 H new ATOM 1016 N TYR A 67 4.551 -8.769 -6.086 1.00 0.00 N ATOM 1017 CA TYR A 67 5.611 -7.896 -5.583 1.00 0.00 C ATOM 1018 C TYR A 67 6.586 -8.655 -4.681 1.00 0.00 C ATOM 1019 O TYR A 67 7.794 -8.430 -4.743 1.00 0.00 O ATOM 1020 CB TYR A 67 5.017 -6.711 -4.816 1.00 0.00 C ATOM 1021 CG TYR A 67 5.611 -5.377 -5.204 1.00 0.00 C ATOM 1022 CD1 TYR A 67 5.622 -4.960 -6.530 1.00 0.00 C ATOM 1023 CD2 TYR A 67 6.155 -4.530 -4.247 1.00 0.00 C ATOM 1024 CE1 TYR A 67 6.159 -3.740 -6.890 1.00 0.00 C ATOM 1025 CE2 TYR A 67 6.692 -3.307 -4.598 1.00 0.00 C ATOM 1026 CZ TYR A 67 6.691 -2.917 -5.921 1.00 0.00 C ATOM 1027 OH TYR A 67 7.223 -1.700 -6.276 1.00 0.00 O ATOM 0 H TYR A 67 3.624 -8.563 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 67 6.162 -7.526 -6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.941 -6.683 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.167 -6.869 -3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.203 -5.601 -7.292 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.158 -4.833 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.162 -3.432 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.110 -2.660 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 67 7.527 -1.735 -7.207 1.00 0.00 H new ATOM 1037 N TYR A 68 6.058 -9.550 -3.844 1.00 0.00 N ATOM 1038 CA TYR A 68 6.894 -10.333 -2.932 1.00 0.00 C ATOM 1039 C TYR A 68 7.901 -11.185 -3.704 1.00 0.00 C ATOM 1040 O TYR A 68 9.066 -11.283 -3.311 1.00 0.00 O ATOM 1041 CB TYR A 68 6.031 -11.227 -2.034 1.00 0.00 C ATOM 1042 CG TYR A 68 5.611 -10.566 -0.737 1.00 0.00 C ATOM 1043 CD1 TYR A 68 4.869 -9.391 -0.743 1.00 0.00 C ATOM 1044 CD2 TYR A 68 5.957 -11.116 0.492 1.00 0.00 C ATOM 1045 CE1 TYR A 68 4.483 -8.785 0.436 1.00 0.00 C ATOM 1046 CE2 TYR A 68 5.574 -10.515 1.676 1.00 0.00 C ATOM 1047 CZ TYR A 68 4.838 -9.349 1.642 1.00 0.00 C ATOM 1048 OH TYR A 68 4.454 -8.747 2.818 1.00 0.00 O ATOM 0 H TYR A 68 5.060 -9.750 -3.779 1.00 0.00 H new ATOM 0 HA TYR A 68 7.444 -9.632 -2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.139 -11.526 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.584 -12.138 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.590 -8.944 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.535 -12.028 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.905 -7.873 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.849 -10.956 2.623 1.00 0.00 H new ATOM 0 HH TYR A 68 4.784 -9.272 3.577 1.00 0.00 H new ATOM 1058 N GLU A 69 7.450 -11.796 -4.803 1.00 0.00 N ATOM 1059 CA GLU A 69 8.324 -12.633 -5.627 1.00 0.00 C ATOM 1060 C GLU A 69 9.234 -11.778 -6.517 1.00 0.00 C ATOM 1061 O GLU A 69 10.375 -12.157 -6.789 1.00 0.00 O ATOM 1062 CB GLU A 69 7.500 -13.607 -6.488 1.00 0.00 C ATOM 1063 CG GLU A 69 6.559 -12.929 -7.478 1.00 0.00 C ATOM 1064 CD GLU A 69 5.734 -13.916 -8.289 1.00 0.00 C ATOM 1065 OE1 GLU A 69 6.286 -14.958 -8.707 1.00 0.00 O ATOM 1066 OE2 GLU A 69 4.536 -13.645 -8.511 1.00 0.00 O ATOM 0 H GLU A 69 6.490 -11.727 -5.141 1.00 0.00 H new ATOM 0 HA GLU A 69 8.954 -13.213 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.183 -14.253 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.915 -14.249 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.888 -12.264 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.142 -12.308 -8.158 1.00 0.00 H new ATOM 1073 N GLU A 70 8.727 -10.626 -6.966 1.00 0.00 N ATOM 1074 CA GLU A 70 9.502 -9.726 -7.825 1.00 0.00 C ATOM 1075 C GLU A 70 10.579 -8.985 -7.030 1.00 0.00 C ATOM 1076 O GLU A 70 11.752 -8.986 -7.410 1.00 0.00 O ATOM 1077 CB GLU A 70 8.580 -8.717 -8.520 1.00 0.00 C ATOM 1078 CG GLU A 70 7.761 -9.315 -9.655 1.00 0.00 C ATOM 1079 CD GLU A 70 8.528 -9.385 -10.964 1.00 0.00 C ATOM 1080 OE1 GLU A 70 9.548 -10.105 -11.020 1.00 0.00 O ATOM 1081 OE2 GLU A 70 8.105 -8.723 -11.935 1.00 0.00 O ATOM 0 H GLU A 70 7.787 -10.295 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 70 9.995 -10.338 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.902 -8.289 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.183 -7.898 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.439 -10.318 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.860 -8.719 -9.799 1.00 0.00 H new ATOM 1088 N ALA A 71 10.176 -8.351 -5.928 1.00 0.00 N ATOM 1089 CA ALA A 71 11.107 -7.605 -5.084 1.00 0.00 C ATOM 1090 C ALA A 71 11.943 -8.542 -4.215 1.00 0.00 C ATOM 1091 O ALA A 71 11.424 -9.501 -3.640 1.00 0.00 O ATOM 1092 CB ALA A 71 10.351 -6.608 -4.215 1.00 0.00 C ATOM 0 H ALA A 71 9.210 -8.340 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 71 11.788 -7.059 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.057 -6.060 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.809 -5.908 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.645 -7.142 -3.579 1.00 0.00 H new ATOM 1098 N GLY A 72 13.242 -8.253 -4.124 1.00 0.00 N ATOM 1099 CA GLY A 72 14.140 -9.073 -3.325 1.00 0.00 C ATOM 1100 C GLY A 72 14.245 -8.604 -1.883 1.00 0.00 C ATOM 1101 O GLY A 72 15.348 -8.456 -1.354 1.00 0.00 O ATOM 0 H GLY A 72 13.688 -7.464 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.792 -10.106 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.132 -9.064 -3.778 1.00 0.00 H new ATOM 1105 N ILE A 73 13.095 -8.377 -1.243 1.00 0.00 N ATOM 1106 CA ILE A 73 13.063 -7.929 0.149 1.00 0.00 C ATOM 1107 C ILE A 73 13.356 -9.086 1.108 1.00 0.00 C ATOM 1108 O ILE A 73 14.017 -8.900 2.132 1.00 0.00 O ATOM 1109 CB ILE A 73 11.701 -7.280 0.508 1.00 0.00 C ATOM 1110 CG1 ILE A 73 11.747 -6.669 1.913 1.00 0.00 C ATOM 1111 CG2 ILE A 73 10.565 -8.291 0.400 1.00 0.00 C ATOM 1112 CD1 ILE A 73 11.969 -5.171 1.917 1.00 0.00 C ATOM 0 H ILE A 73 12.175 -8.496 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 73 13.842 -7.175 0.259 1.00 0.00 H new ATOM 0 HB ILE A 73 11.510 -6.482 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.812 -6.890 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.544 -7.147 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.622 -7.808 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.512 -8.671 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.748 -9.118 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 73 11.990 -4.809 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.918 -4.943 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.159 -4.682 1.377 1.00 0.00 H new ATOM 1124 N HIS A 74 12.865 -10.278 0.766 1.00 0.00 N ATOM 1125 CA HIS A 74 13.078 -11.464 1.593 1.00 0.00 C ATOM 1126 C HIS A 74 13.342 -12.696 0.723 1.00 0.00 C ATOM 1127 O HIS A 74 12.421 -13.451 0.402 1.00 0.00 O ATOM 1128 CB HIS A 74 11.865 -11.707 2.500 1.00 0.00 C ATOM 1129 CG HIS A 74 12.224 -12.219 3.863 1.00 0.00 C ATOM 1130 ND1 HIS A 74 13.116 -13.252 4.072 1.00 0.00 N ATOM 1131 CD2 HIS A 74 11.805 -11.834 5.091 1.00 0.00 C ATOM 1132 CE1 HIS A 74 13.228 -13.478 5.370 1.00 0.00 C ATOM 1133 NE2 HIS A 74 12.443 -12.631 6.009 1.00 0.00 N ATOM 0 H HIS A 74 12.317 -10.447 -0.078 1.00 0.00 H new ATOM 0 HA HIS A 74 13.955 -11.290 2.216 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.310 -10.775 2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.199 -12.422 2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.099 -11.046 5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.855 -14.228 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.329 -12.577 7.021 1.00 0.00 H new ATOM 1142 N PRO A 75 14.612 -12.916 0.329 1.00 0.00 N ATOM 1143 CA PRO A 75 14.997 -14.063 -0.506 1.00 0.00 C ATOM 1144 C PRO A 75 14.905 -15.393 0.249 1.00 0.00 C ATOM 1145 O PRO A 75 15.000 -15.425 1.478 1.00 0.00 O ATOM 1146 CB PRO A 75 16.449 -13.755 -0.885 1.00 0.00 C ATOM 1147 CG PRO A 75 16.950 -12.876 0.208 1.00 0.00 C ATOM 1148 CD PRO A 75 15.769 -12.063 0.663 1.00 0.00 C ATOM 0 HA PRO A 75 14.336 -14.183 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.040 -14.668 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.508 -13.256 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.356 -13.467 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.753 -12.231 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.816 -11.851 1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.721 -11.103 0.149 1.00 0.00 H new ATOM 1156 N PRO A 76 14.715 -16.513 -0.483 1.00 0.00 N ATOM 1157 CA PRO A 76 14.607 -17.853 0.118 1.00 0.00 C ATOM 1158 C PRO A 76 15.794 -18.191 1.019 1.00 0.00 C ATOM 1159 O PRO A 76 16.949 -17.977 0.645 1.00 0.00 O ATOM 1160 CB PRO A 76 14.582 -18.790 -1.093 1.00 0.00 C ATOM 1161 CG PRO A 76 14.080 -17.950 -2.215 1.00 0.00 C ATOM 1162 CD PRO A 76 14.589 -16.560 -1.952 1.00 0.00 C ATOM 0 HA PRO A 76 13.729 -17.934 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.575 -19.185 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.930 -19.646 -0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.441 -18.323 -3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.991 -17.965 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.546 -16.383 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.897 -15.803 -2.320 1.00 0.00 H new ATOM 1170 N GLU A 77 15.500 -18.720 2.209 1.00 0.00 N ATOM 1171 CA GLU A 77 16.542 -19.088 3.166 1.00 0.00 C ATOM 1172 C GLU A 77 15.971 -19.932 4.312 1.00 0.00 C ATOM 1173 O GLU A 77 15.606 -19.401 5.363 1.00 0.00 O ATOM 1174 CB GLU A 77 17.215 -17.829 3.726 1.00 0.00 C ATOM 1175 CG GLU A 77 18.674 -18.036 4.113 1.00 0.00 C ATOM 1176 CD GLU A 77 19.396 -16.734 4.418 1.00 0.00 C ATOM 1177 OE1 GLU A 77 18.781 -15.840 5.041 1.00 0.00 O ATOM 1178 OE2 GLU A 77 20.578 -16.611 4.037 1.00 0.00 O ATOM 0 H GLU A 77 14.550 -18.902 2.531 1.00 0.00 H new ATOM 0 HA GLU A 77 17.284 -19.688 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.155 -17.034 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.661 -17.490 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.724 -18.686 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.190 -18.550 3.302 1.00 0.00 H new ATOM 1185 N PRO A 78 15.882 -21.266 4.119 1.00 0.00 N ATOM 1186 CA PRO A 78 15.352 -22.191 5.137 1.00 0.00 C ATOM 1187 C PRO A 78 16.132 -22.135 6.453 1.00 0.00 C ATOM 1188 O PRO A 78 17.179 -21.490 6.541 1.00 0.00 O ATOM 1189 CB PRO A 78 15.510 -23.572 4.490 1.00 0.00 C ATOM 1190 CG PRO A 78 15.593 -23.305 3.027 1.00 0.00 C ATOM 1191 CD PRO A 78 16.282 -21.978 2.891 1.00 0.00 C ATOM 0 HA PRO A 78 14.325 -21.941 5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.406 -24.077 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.664 -24.218 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.152 -24.090 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.600 -23.278 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.364 -22.091 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.961 -21.447 1.995 1.00 0.00 H new ATOM 1199 N ILE A 79 15.613 -22.819 7.474 1.00 0.00 N ATOM 1200 CA ILE A 79 16.257 -22.849 8.788 1.00 0.00 C ATOM 1201 C ILE A 79 17.314 -23.953 8.867 1.00 0.00 C ATOM 1202 O ILE A 79 18.407 -23.737 9.392 1.00 0.00 O ATOM 1203 CB ILE A 79 15.218 -23.032 9.923 1.00 0.00 C ATOM 1204 CG1 ILE A 79 14.036 -22.072 9.728 1.00 0.00 C ATOM 1205 CG2 ILE A 79 15.866 -22.812 11.285 1.00 0.00 C ATOM 1206 CD1 ILE A 79 14.434 -20.610 9.676 1.00 0.00 C ATOM 0 H ILE A 79 14.750 -23.359 7.416 1.00 0.00 H new ATOM 0 HA ILE A 79 16.751 -21.886 8.922 1.00 0.00 H new ATOM 0 HB ILE A 79 14.843 -24.055 9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.519 -22.331 8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.325 -22.216 10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.120 -22.945 12.069 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.672 -23.532 11.425 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.270 -21.801 11.337 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.545 -19.996 9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.924 -20.333 10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.120 -20.449 8.845 1.00 0.00 H new ATOM 1218 N ALA A 80 16.985 -25.131 8.337 1.00 0.00 N ATOM 1219 CA ALA A 80 17.908 -26.268 8.337 1.00 0.00 C ATOM 1220 C ALA A 80 17.382 -27.409 7.458 1.00 0.00 C ATOM 1221 O ALA A 80 17.436 -28.579 7.844 1.00 0.00 O ATOM 1222 CB ALA A 80 18.152 -26.752 9.765 1.00 0.00 C ATOM 0 H ALA A 80 16.083 -25.324 7.901 1.00 0.00 H new ATOM 0 HA ALA A 80 18.857 -25.936 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.840 -27.597 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 80 18.584 -25.943 10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 80 17.207 -27.061 10.211 1.00 0.00 H new ATOM 1228 N ALA A 81 16.865 -27.058 6.272 1.00 0.00 N ATOM 1229 CA ALA A 81 16.320 -28.049 5.339 1.00 0.00 C ATOM 1230 C ALA A 81 15.269 -28.935 6.020 1.00 0.00 C ATOM 1231 O ALA A 81 15.155 -30.125 5.718 1.00 0.00 O ATOM 1232 CB ALA A 81 17.445 -28.899 4.757 1.00 0.00 C ATOM 0 H ALA A 81 16.814 -26.096 5.938 1.00 0.00 H new ATOM 0 HA ALA A 81 15.827 -27.515 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.028 -29.631 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 81 18.148 -28.258 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.965 -29.417 5.563 1.00 0.00 H new ATOM 1238 N ALA A 82 14.508 -28.344 6.946 1.00 0.00 N ATOM 1239 CA ALA A 82 13.476 -29.077 7.677 1.00 0.00 C ATOM 1240 C ALA A 82 12.147 -29.088 6.916 1.00 0.00 C ATOM 1241 O ALA A 82 11.671 -30.145 6.499 1.00 0.00 O ATOM 1242 CB ALA A 82 13.295 -28.484 9.072 1.00 0.00 C ATOM 0 H ALA A 82 14.589 -27.361 7.205 1.00 0.00 H new ATOM 0 HA ALA A 82 13.805 -30.112 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.524 -29.039 9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.235 -28.550 9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.997 -27.439 8.987 1.00 0.00 H new ATOM 1248 N ALA A 83 11.552 -27.906 6.738 1.00 0.00 N ATOM 1249 CA ALA A 83 10.278 -27.778 6.028 1.00 0.00 C ATOM 1250 C ALA A 83 10.479 -27.858 4.517 1.00 0.00 C ATOM 1251 O ALA A 83 10.557 -28.945 3.945 1.00 0.00 O ATOM 1252 CB ALA A 83 9.596 -26.468 6.397 1.00 0.00 C ATOM 0 H ALA A 83 11.933 -27.023 7.077 1.00 0.00 H new ATOM 0 HA ALA A 83 9.640 -28.608 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.650 -26.387 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.408 -26.445 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.241 -25.633 6.124 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -3.292 15.305 2.461 1.00 0.00 ZN