USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot -160:sc= -0.557 USER MOD Set 1.2: A 45 GLN : amide:sc= 0 X(o=-0.56,f=-0.56) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.447 K(o=0.21,f=-5.5) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 163:sc= -0.234 (180deg=-0.802) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.04 (180deg=-0.14) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -179:sc= -0.0612 (180deg=-0.0623) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.6! C(o=-3.6!,f=-5.6!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.421 K(o=0.42,f=-0.52) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -6.81! C(o=-6.8!,f=-15!) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 33 CYS SG : rot 39:sc= 0.138 USER MOD Single : A 46 THR OG1 : rot 70:sc= 0.916 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 54:sc= 0.93 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 53:sc= -1.04 USER MOD Single : A 71 THR OG1 : rot 47:sc= 0.499 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.831 -9.499 -16.781 1.00 0.00 N ATOM 2 CA GLY A 1 -13.350 -9.412 -16.660 1.00 0.00 C ATOM 3 C GLY A 1 -12.912 -8.695 -15.398 1.00 0.00 C ATOM 4 O GLY A 1 -11.847 -8.078 -15.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.083 -9.826 -17.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.198 -10.171 -16.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.249 -8.561 -16.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.928 -10.417 -16.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.948 -8.891 -17.529 1.00 0.00 H new ATOM 10 N SER A 2 -13.734 -8.778 -14.358 1.00 0.00 N ATOM 11 CA SER A 2 -13.426 -8.132 -13.087 1.00 0.00 C ATOM 12 C SER A 2 -12.612 -9.059 -12.190 1.00 0.00 C ATOM 13 O SER A 2 -11.447 -8.790 -11.895 1.00 0.00 O ATOM 14 CB SER A 2 -14.714 -7.717 -12.376 1.00 0.00 C ATOM 15 OG SER A 2 -14.461 -6.727 -11.393 1.00 0.00 O ATOM 0 H SER A 2 -14.618 -9.286 -14.370 1.00 0.00 H new ATOM 0 HA SER A 2 -12.832 -7.242 -13.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.428 -7.335 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.172 -8.589 -11.908 1.00 0.00 H new ATOM 0 HG SER A 2 -15.302 -6.479 -10.955 1.00 0.00 H new ATOM 21 N GLU A 3 -13.233 -10.152 -11.758 1.00 0.00 N ATOM 22 CA GLU A 3 -12.567 -11.121 -10.895 1.00 0.00 C ATOM 23 C GLU A 3 -12.104 -10.465 -9.597 1.00 0.00 C ATOM 24 O GLU A 3 -10.905 -10.340 -9.344 1.00 0.00 O ATOM 25 CB GLU A 3 -11.375 -11.747 -11.621 1.00 0.00 C ATOM 26 CG GLU A 3 -11.709 -12.260 -13.012 1.00 0.00 C ATOM 27 CD GLU A 3 -10.483 -12.723 -13.773 1.00 0.00 C ATOM 28 OE1 GLU A 3 -10.092 -13.898 -13.610 1.00 0.00 O ATOM 29 OE2 GLU A 3 -9.912 -11.910 -14.531 1.00 0.00 O ATOM 0 H GLU A 3 -14.197 -10.389 -11.992 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.283 -11.905 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.578 -11.007 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.988 -12.572 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.415 -13.087 -12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.206 -11.471 -13.577 1.00 0.00 H new ATOM 36 N GLY A 4 -13.062 -10.047 -8.776 1.00 0.00 N ATOM 37 CA GLY A 4 -12.732 -9.410 -7.515 1.00 0.00 C ATOM 38 C GLY A 4 -13.776 -8.400 -7.084 1.00 0.00 C ATOM 39 O GLY A 4 -14.920 -8.447 -7.535 1.00 0.00 O ATOM 0 H GLY A 4 -14.061 -10.138 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.628 -10.172 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.766 -8.913 -7.604 1.00 0.00 H new ATOM 43 N ALA A 5 -13.381 -7.482 -6.207 1.00 0.00 N ATOM 44 CA ALA A 5 -14.291 -6.455 -5.713 1.00 0.00 C ATOM 45 C ALA A 5 -13.562 -5.466 -4.809 1.00 0.00 C ATOM 46 O ALA A 5 -14.086 -5.050 -3.775 1.00 0.00 O ATOM 47 CB ALA A 5 -15.455 -7.094 -4.971 1.00 0.00 C ATOM 0 H ALA A 5 -12.437 -7.429 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.680 -5.905 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.126 -6.316 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.998 -7.755 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.076 -7.670 -4.126 1.00 0.00 H new ATOM 53 N ALA A 6 -12.349 -5.092 -5.206 1.00 0.00 N ATOM 54 CA ALA A 6 -11.549 -4.151 -4.431 1.00 0.00 C ATOM 55 C ALA A 6 -12.090 -2.731 -4.563 1.00 0.00 C ATOM 56 O ALA A 6 -12.625 -2.354 -5.605 1.00 0.00 O ATOM 57 CB ALA A 6 -10.094 -4.205 -4.874 1.00 0.00 C ATOM 0 H ALA A 6 -11.900 -5.426 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.610 -4.440 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.508 -3.497 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.705 -5.212 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.025 -3.945 -5.930 1.00 0.00 H new ATOM 63 N THR A 7 -11.948 -1.947 -3.499 1.00 0.00 N ATOM 64 CA THR A 7 -12.424 -0.569 -3.497 1.00 0.00 C ATOM 65 C THR A 7 -12.064 0.130 -2.189 1.00 0.00 C ATOM 66 O THR A 7 -12.845 0.127 -1.237 1.00 0.00 O ATOM 67 CB THR A 7 -13.937 -0.529 -3.710 1.00 0.00 C ATOM 68 OG1 THR A 7 -14.418 0.802 -3.647 1.00 0.00 O ATOM 69 CG2 THR A 7 -14.707 -1.344 -2.693 1.00 0.00 C ATOM 0 H THR A 7 -11.507 -2.243 -2.628 1.00 0.00 H new ATOM 0 HA THR A 7 -11.935 -0.042 -4.316 1.00 0.00 H new ATOM 0 HB THR A 7 -14.100 -0.962 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 7 -15.388 0.806 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.774 -1.272 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.395 -2.387 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.507 -0.961 -1.693 1.00 0.00 H new ATOM 77 N MET A 8 -10.880 0.730 -2.151 1.00 0.00 N ATOM 78 CA MET A 8 -10.418 1.434 -0.960 1.00 0.00 C ATOM 79 C MET A 8 -10.880 2.887 -0.974 1.00 0.00 C ATOM 80 O MET A 8 -10.802 3.563 -1.999 1.00 0.00 O ATOM 81 CB MET A 8 -8.891 1.375 -0.866 1.00 0.00 C ATOM 82 CG MET A 8 -8.348 -0.026 -0.639 1.00 0.00 C ATOM 83 SD MET A 8 -6.590 -0.031 -0.236 1.00 0.00 S ATOM 84 CE MET A 8 -6.508 -1.409 0.904 1.00 0.00 C ATOM 0 H MET A 8 -10.222 0.743 -2.931 1.00 0.00 H new ATOM 0 HA MET A 8 -10.849 0.942 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.463 1.777 -1.785 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.560 2.020 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.904 -0.501 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.514 -0.625 -1.534 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.484 -1.528 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.165 -1.219 1.753 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.825 -2.320 0.397 1.00 0.00 H new ATOM 94 N THR A 9 -11.359 3.362 0.171 1.00 0.00 N ATOM 95 CA THR A 9 -11.830 4.736 0.290 1.00 0.00 C ATOM 96 C THR A 9 -10.711 5.655 0.765 1.00 0.00 C ATOM 97 O THR A 9 -9.632 5.193 1.138 1.00 0.00 O ATOM 98 CB THR A 9 -13.014 4.812 1.257 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.622 4.424 2.562 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.178 3.933 0.848 1.00 0.00 C ATOM 0 H THR A 9 -11.431 2.815 1.029 1.00 0.00 H new ATOM 0 HA THR A 9 -12.155 5.068 -0.696 1.00 0.00 H new ATOM 0 HB THR A 9 -13.338 5.852 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.392 4.481 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.983 4.034 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.537 4.238 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.853 2.893 0.809 1.00 0.00 H new ATOM 108 N GLU A 10 -10.972 6.958 0.746 1.00 0.00 N ATOM 109 CA GLU A 10 -9.984 7.942 1.173 1.00 0.00 C ATOM 110 C GLU A 10 -9.581 7.718 2.627 1.00 0.00 C ATOM 111 O GLU A 10 -8.416 7.880 2.990 1.00 0.00 O ATOM 112 CB GLU A 10 -10.538 9.358 0.997 1.00 0.00 C ATOM 113 CG GLU A 10 -10.713 9.765 -0.457 1.00 0.00 C ATOM 114 CD GLU A 10 -9.598 10.669 -0.948 1.00 0.00 C ATOM 115 OE1 GLU A 10 -9.452 11.781 -0.400 1.00 0.00 O ATOM 116 OE2 GLU A 10 -8.873 10.264 -1.881 1.00 0.00 O ATOM 0 H GLU A 10 -11.859 7.357 0.440 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.098 7.824 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.500 9.429 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.868 10.065 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.751 8.871 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.669 10.276 -0.575 1.00 0.00 H new ATOM 123 N ASP A 11 -10.550 7.344 3.456 1.00 0.00 N ATOM 124 CA ASP A 11 -10.292 7.098 4.871 1.00 0.00 C ATOM 125 C ASP A 11 -9.284 5.968 5.053 1.00 0.00 C ATOM 126 O ASP A 11 -8.520 5.955 6.019 1.00 0.00 O ATOM 127 CB ASP A 11 -11.594 6.758 5.597 1.00 0.00 C ATOM 128 CG ASP A 11 -12.306 7.992 6.118 1.00 0.00 C ATOM 129 OD1 ASP A 11 -12.233 9.044 5.450 1.00 0.00 O ATOM 130 OD2 ASP A 11 -12.935 7.905 7.193 1.00 0.00 O ATOM 0 H ASP A 11 -11.520 7.205 3.173 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.872 8.007 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.255 6.220 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.378 6.088 6.429 1.00 0.00 H new ATOM 135 N GLN A 12 -9.285 5.023 4.119 1.00 0.00 N ATOM 136 CA GLN A 12 -8.369 3.890 4.177 1.00 0.00 C ATOM 137 C GLN A 12 -6.998 4.273 3.632 1.00 0.00 C ATOM 138 O GLN A 12 -5.972 4.009 4.261 1.00 0.00 O ATOM 139 CB GLN A 12 -8.934 2.709 3.385 1.00 0.00 C ATOM 140 CG GLN A 12 -9.894 1.842 4.185 1.00 0.00 C ATOM 141 CD GLN A 12 -10.679 0.884 3.311 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.438 0.783 2.108 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.623 0.172 3.915 1.00 0.00 N ATOM 0 H GLN A 12 -9.910 5.019 3.313 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.257 3.597 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.449 3.088 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.108 2.091 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.333 1.274 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.587 2.482 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.788 0.288 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.183 -0.491 3.379 1.00 0.00 H new ATOM 152 N VAL A 13 -6.987 4.896 2.459 1.00 0.00 N ATOM 153 CA VAL A 13 -5.742 5.316 1.826 1.00 0.00 C ATOM 154 C VAL A 13 -5.006 6.337 2.688 1.00 0.00 C ATOM 155 O VAL A 13 -3.776 6.402 2.678 1.00 0.00 O ATOM 156 CB VAL A 13 -5.997 5.924 0.435 1.00 0.00 C ATOM 157 CG1 VAL A 13 -4.683 6.174 -0.289 1.00 0.00 C ATOM 158 CG2 VAL A 13 -6.903 5.019 -0.385 1.00 0.00 C ATOM 0 H VAL A 13 -7.827 5.122 1.926 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.125 4.424 1.716 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.500 6.882 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.884 6.604 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.073 6.866 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.148 5.232 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.072 5.465 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.430 4.044 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.857 4.898 0.128 1.00 0.00 H new ATOM 168 N GLU A 14 -5.766 7.134 3.430 1.00 0.00 N ATOM 169 CA GLU A 14 -5.187 8.154 4.297 1.00 0.00 C ATOM 170 C GLU A 14 -4.401 7.517 5.439 1.00 0.00 C ATOM 171 O GLU A 14 -3.293 7.947 5.758 1.00 0.00 O ATOM 172 CB GLU A 14 -6.286 9.058 4.859 1.00 0.00 C ATOM 173 CG GLU A 14 -6.660 10.206 3.936 1.00 0.00 C ATOM 174 CD GLU A 14 -7.046 11.462 4.694 1.00 0.00 C ATOM 175 OE1 GLU A 14 -7.971 11.391 5.528 1.00 0.00 O ATOM 176 OE2 GLU A 14 -6.420 12.516 4.452 1.00 0.00 O ATOM 0 H GLU A 14 -6.785 7.094 3.449 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.501 8.755 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.174 8.457 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.957 9.464 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.819 10.427 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.491 9.900 3.300 1.00 0.00 H new ATOM 183 N ILE A 15 -4.983 6.490 6.051 1.00 0.00 N ATOM 184 CA ILE A 15 -4.336 5.795 7.156 1.00 0.00 C ATOM 185 C ILE A 15 -3.229 4.875 6.651 1.00 0.00 C ATOM 186 O ILE A 15 -2.177 4.750 7.278 1.00 0.00 O ATOM 187 CB ILE A 15 -5.348 4.963 7.968 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.565 5.815 8.335 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.690 4.402 9.220 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.781 4.998 8.714 1.00 0.00 C ATOM 0 H ILE A 15 -5.901 6.122 5.800 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.905 6.560 7.802 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.685 4.128 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.303 6.469 9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.817 6.457 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.418 3.817 9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.853 3.764 8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.327 5.222 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.606 5.666 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.068 4.363 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.546 4.375 9.577 1.00 0.00 H new ATOM 202 N LEU A 16 -3.474 4.233 5.514 1.00 0.00 N ATOM 203 CA LEU A 16 -2.500 3.324 4.923 1.00 0.00 C ATOM 204 C LEU A 16 -1.212 4.061 4.567 1.00 0.00 C ATOM 205 O LEU A 16 -0.113 3.551 4.786 1.00 0.00 O ATOM 206 CB LEU A 16 -3.083 2.662 3.673 1.00 0.00 C ATOM 207 CG LEU A 16 -3.963 1.439 3.938 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.723 1.046 2.681 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.119 0.276 4.440 1.00 0.00 C ATOM 0 H LEU A 16 -4.340 4.326 4.983 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.266 2.555 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.670 3.402 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.261 2.365 3.021 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.689 1.696 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.344 0.174 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.356 1.875 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.015 0.807 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.760 -0.586 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.371 0.019 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.621 0.561 5.366 1.00 0.00 H new ATOM 221 N GLU A 17 -1.357 5.261 4.018 1.00 0.00 N ATOM 222 CA GLU A 17 -0.205 6.069 3.630 1.00 0.00 C ATOM 223 C GLU A 17 0.511 6.623 4.858 1.00 0.00 C ATOM 224 O GLU A 17 1.727 6.812 4.847 1.00 0.00 O ATOM 225 CB GLU A 17 -0.646 7.216 2.718 1.00 0.00 C ATOM 226 CG GLU A 17 -0.354 6.970 1.247 1.00 0.00 C ATOM 227 CD GLU A 17 -0.731 8.151 0.373 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.943 8.420 0.229 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.185 8.806 -0.166 1.00 0.00 O ATOM 0 H GLU A 17 -2.260 5.697 3.831 1.00 0.00 H new ATOM 0 HA GLU A 17 0.491 5.429 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.716 7.379 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.144 8.132 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.707 6.754 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.900 6.087 0.914 1.00 0.00 H new ATOM 236 N TYR A 18 -0.250 6.880 5.917 1.00 0.00 N ATOM 237 CA TYR A 18 0.313 7.413 7.152 1.00 0.00 C ATOM 238 C TYR A 18 1.248 6.400 7.805 1.00 0.00 C ATOM 239 O TYR A 18 2.205 6.772 8.484 1.00 0.00 O ATOM 240 CB TYR A 18 -0.805 7.795 8.123 1.00 0.00 C ATOM 241 CG TYR A 18 -0.312 8.487 9.375 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.394 7.788 10.345 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.553 9.839 9.586 1.00 0.00 C ATOM 244 CE1 TYR A 18 0.845 8.415 11.491 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.104 10.474 10.728 1.00 0.00 C ATOM 246 CZ TYR A 18 0.594 9.758 11.677 1.00 0.00 C ATOM 247 OH TYR A 18 1.042 10.385 12.816 1.00 0.00 O ATOM 0 H TYR A 18 -1.258 6.728 5.945 1.00 0.00 H new ATOM 0 HA TYR A 18 0.889 8.305 6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.511 8.449 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.351 6.895 8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.594 6.736 10.201 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.100 10.403 8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.391 7.856 12.237 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.299 11.526 10.876 1.00 0.00 H new ATOM 0 HH TYR A 18 0.784 11.330 12.792 1.00 0.00 H new ATOM 257 N ASN A 19 0.965 5.118 7.596 1.00 0.00 N ATOM 258 CA ASN A 19 1.784 4.053 8.165 1.00 0.00 C ATOM 259 C ASN A 19 2.826 3.563 7.160 1.00 0.00 C ATOM 260 O ASN A 19 3.360 2.463 7.295 1.00 0.00 O ATOM 261 CB ASN A 19 0.901 2.885 8.607 1.00 0.00 C ATOM 262 CG ASN A 19 0.143 3.185 9.885 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.564 2.801 10.975 1.00 0.00 O ATOM 264 ND2 ASN A 19 -0.985 3.875 9.755 1.00 0.00 N ATOM 0 H ASN A 19 0.176 4.792 7.038 1.00 0.00 H new ATOM 0 HA ASN A 19 2.306 4.458 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.192 2.649 7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.520 2.000 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.539 4.106 10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.297 4.174 8.831 1.00 0.00 H new ATOM 271 N PHE A 20 3.108 4.385 6.153 1.00 0.00 N ATOM 272 CA PHE A 20 4.083 4.030 5.126 1.00 0.00 C ATOM 273 C PHE A 20 5.261 5.004 5.118 1.00 0.00 C ATOM 274 O PHE A 20 6.343 4.674 4.632 1.00 0.00 O ATOM 275 CB PHE A 20 3.417 4.011 3.750 1.00 0.00 C ATOM 276 CG PHE A 20 4.344 3.609 2.636 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.832 2.315 2.556 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.726 4.528 1.672 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.684 1.944 1.533 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.578 4.162 0.647 1.00 0.00 C ATOM 281 CZ PHE A 20 6.058 2.868 0.577 1.00 0.00 C ATOM 0 H PHE A 20 2.676 5.300 6.026 1.00 0.00 H new ATOM 0 HA PHE A 20 4.464 3.035 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.572 3.323 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.015 5.001 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.544 1.588 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.354 5.541 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.057 0.932 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.868 4.887 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.724 2.580 -0.223 1.00 0.00 H new ATOM 291 N ASN A 21 5.045 6.203 5.650 1.00 0.00 N ATOM 292 CA ASN A 21 6.092 7.218 5.691 1.00 0.00 C ATOM 293 C ASN A 21 6.362 7.678 7.121 1.00 0.00 C ATOM 294 O ASN A 21 7.481 7.561 7.621 1.00 0.00 O ATOM 295 CB ASN A 21 5.697 8.415 4.824 1.00 0.00 C ATOM 296 CG ASN A 21 5.504 8.036 3.370 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.460 8.002 2.594 1.00 0.00 O ATOM 298 ND2 ASN A 21 4.264 7.747 2.992 1.00 0.00 N ATOM 0 H ASN A 21 4.157 6.495 6.058 1.00 0.00 H new ATOM 0 HA ASN A 21 7.007 6.774 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.775 8.850 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.467 9.183 4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.074 7.484 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.502 7.788 3.669 1.00 0.00 H new ATOM 305 N LYS A 22 5.332 8.209 7.773 1.00 0.00 N ATOM 306 CA LYS A 22 5.458 8.695 9.143 1.00 0.00 C ATOM 307 C LYS A 22 6.007 7.613 10.069 1.00 0.00 C ATOM 308 O LYS A 22 6.649 7.913 11.076 1.00 0.00 O ATOM 309 CB LYS A 22 4.103 9.182 9.660 1.00 0.00 C ATOM 310 CG LYS A 22 3.721 10.566 9.159 1.00 0.00 C ATOM 311 CD LYS A 22 2.756 10.488 7.987 1.00 0.00 C ATOM 312 CE LYS A 22 2.782 11.763 7.158 1.00 0.00 C ATOM 313 NZ LYS A 22 1.834 12.785 7.681 1.00 0.00 N ATOM 0 H LYS A 22 4.399 8.314 7.374 1.00 0.00 H new ATOM 0 HA LYS A 22 6.162 9.527 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.333 8.471 9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.122 9.192 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.265 11.134 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.619 11.105 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.016 9.637 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.746 10.314 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.792 12.173 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.529 11.529 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.882 13.638 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.867 12.404 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.090 13.028 8.659 1.00 0.00 H new ATOM 327 N VAL A 23 5.749 6.354 9.726 1.00 0.00 N ATOM 328 CA VAL A 23 6.218 5.235 10.535 1.00 0.00 C ATOM 329 C VAL A 23 7.381 4.512 9.865 1.00 0.00 C ATOM 330 O VAL A 23 8.515 4.566 10.342 1.00 0.00 O ATOM 331 CB VAL A 23 5.089 4.224 10.807 1.00 0.00 C ATOM 332 CG1 VAL A 23 5.540 3.180 11.816 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.837 4.939 11.292 1.00 0.00 C ATOM 0 H VAL A 23 5.220 6.085 8.897 1.00 0.00 H new ATOM 0 HA VAL A 23 6.556 5.656 11.482 1.00 0.00 H new ATOM 0 HB VAL A 23 4.849 3.714 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.729 2.474 11.996 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.406 2.646 11.425 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.808 3.670 12.752 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.050 4.208 11.479 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.059 5.477 12.214 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.503 5.645 10.531 1.00 0.00 H new ATOM 343 N ASN A 24 7.095 3.832 8.760 1.00 0.00 N ATOM 344 CA ASN A 24 8.120 3.094 8.032 1.00 0.00 C ATOM 345 C ASN A 24 7.592 2.618 6.682 1.00 0.00 C ATOM 346 O ASN A 24 6.436 2.859 6.339 1.00 0.00 O ATOM 347 CB ASN A 24 8.586 1.895 8.859 1.00 0.00 C ATOM 348 CG ASN A 24 7.445 0.958 9.197 1.00 0.00 C ATOM 349 OD1 ASN A 24 6.846 0.350 8.311 1.00 0.00 O ATOM 350 ND2 ASN A 24 7.135 0.842 10.483 1.00 0.00 N ATOM 0 H ASN A 24 6.163 3.777 8.349 1.00 0.00 H new ATOM 0 HA ASN A 24 8.963 3.762 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.351 1.349 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.049 2.249 9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.372 0.229 10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.660 1.366 11.183 1.00 0.00 H new ATOM 357 N LYS A 25 8.446 1.940 5.922 1.00 0.00 N ATOM 358 CA LYS A 25 8.062 1.431 4.610 1.00 0.00 C ATOM 359 C LYS A 25 8.047 -0.096 4.597 1.00 0.00 C ATOM 360 O LYS A 25 7.272 -0.712 3.865 1.00 0.00 O ATOM 361 CB LYS A 25 9.018 1.953 3.537 1.00 0.00 C ATOM 362 CG LYS A 25 8.690 3.360 3.064 1.00 0.00 C ATOM 363 CD LYS A 25 9.348 4.412 3.943 1.00 0.00 C ATOM 364 CE LYS A 25 9.650 5.683 3.165 1.00 0.00 C ATOM 365 NZ LYS A 25 8.863 6.842 3.667 1.00 0.00 N ATOM 0 H LYS A 25 9.407 1.730 6.191 1.00 0.00 H new ATOM 0 HA LYS A 25 7.054 1.786 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.035 1.938 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.996 1.277 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.023 3.485 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.610 3.504 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.694 4.646 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.272 4.012 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.714 5.908 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.429 5.524 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.290 7.726 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.885 6.773 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.864 6.838 4.707 1.00 0.00 H new ATOM 379 N HIS A 26 8.907 -0.702 5.410 1.00 0.00 N ATOM 380 CA HIS A 26 8.989 -2.157 5.491 1.00 0.00 C ATOM 381 C HIS A 26 8.736 -2.637 6.919 1.00 0.00 C ATOM 382 O HIS A 26 9.642 -3.138 7.586 1.00 0.00 O ATOM 383 CB HIS A 26 10.361 -2.637 5.009 1.00 0.00 C ATOM 384 CG HIS A 26 10.347 -3.196 3.619 1.00 0.00 C ATOM 385 ND1 HIS A 26 10.986 -4.368 3.274 1.00 0.00 N ATOM 386 CD2 HIS A 26 9.766 -2.738 2.485 1.00 0.00 C ATOM 387 CE1 HIS A 26 10.800 -4.606 1.988 1.00 0.00 C ATOM 388 NE2 HIS A 26 10.063 -3.633 1.486 1.00 0.00 N ATOM 0 H HIS A 26 9.557 -0.208 6.022 1.00 0.00 H new ATOM 0 HA HIS A 26 8.219 -2.579 4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.063 -1.804 5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.731 -3.399 5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.179 -1.837 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.186 -5.453 1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.763 -3.558 0.514 1.00 0.00 H new ATOM 397 N PRO A 27 7.494 -2.489 7.411 1.00 0.00 N ATOM 398 CA PRO A 27 7.126 -2.909 8.765 1.00 0.00 C ATOM 399 C PRO A 27 6.944 -4.418 8.876 1.00 0.00 C ATOM 400 O PRO A 27 7.302 -5.167 7.967 1.00 0.00 O ATOM 401 CB PRO A 27 5.799 -2.193 9.004 1.00 0.00 C ATOM 402 CG PRO A 27 5.201 -2.039 7.648 1.00 0.00 C ATOM 403 CD PRO A 27 6.352 -1.899 6.685 1.00 0.00 C ATOM 0 HA PRO A 27 7.899 -2.663 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.149 -2.773 9.660 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.952 -1.225 9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.587 -2.903 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.553 -1.164 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.158 -2.425 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.536 -0.855 6.431 1.00 0.00 H new ATOM 411 N ASP A 28 6.382 -4.856 9.998 1.00 0.00 N ATOM 412 CA ASP A 28 6.145 -6.276 10.234 1.00 0.00 C ATOM 413 C ASP A 28 4.675 -6.523 10.569 1.00 0.00 C ATOM 414 O ASP A 28 3.908 -5.578 10.752 1.00 0.00 O ATOM 415 CB ASP A 28 7.037 -6.787 11.370 1.00 0.00 C ATOM 416 CG ASP A 28 8.410 -6.142 11.371 1.00 0.00 C ATOM 417 OD1 ASP A 28 9.041 -6.087 10.294 1.00 0.00 O ATOM 418 OD2 ASP A 28 8.855 -5.692 12.449 1.00 0.00 O ATOM 0 H ASP A 28 6.082 -4.247 10.759 1.00 0.00 H new ATOM 0 HA ASP A 28 6.393 -6.821 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.549 -6.594 12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.148 -7.868 11.282 1.00 0.00 H new ATOM 423 N PRO A 29 4.257 -7.798 10.652 1.00 0.00 N ATOM 424 CA PRO A 29 2.869 -8.153 10.966 1.00 0.00 C ATOM 425 C PRO A 29 2.360 -7.459 12.226 1.00 0.00 C ATOM 426 O PRO A 29 1.155 -7.277 12.402 1.00 0.00 O ATOM 427 CB PRO A 29 2.927 -9.668 11.173 1.00 0.00 C ATOM 428 CG PRO A 29 4.099 -10.112 10.369 1.00 0.00 C ATOM 429 CD PRO A 29 5.100 -8.993 10.448 1.00 0.00 C ATOM 0 HA PRO A 29 2.182 -7.844 10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.050 -9.920 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.009 -10.150 10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.516 -11.038 10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.812 -10.308 9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.800 -9.137 11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.692 -8.917 9.536 1.00 0.00 H new ATOM 437 N THR A 30 3.284 -7.071 13.101 1.00 0.00 N ATOM 438 CA THR A 30 2.925 -6.397 14.343 1.00 0.00 C ATOM 439 C THR A 30 2.371 -5.002 14.066 1.00 0.00 C ATOM 440 O THR A 30 1.261 -4.671 14.480 1.00 0.00 O ATOM 441 CB THR A 30 4.142 -6.300 15.264 1.00 0.00 C ATOM 442 OG1 THR A 30 5.036 -7.373 15.028 1.00 0.00 O ATOM 443 CG2 THR A 30 3.783 -6.318 16.734 1.00 0.00 C ATOM 0 H THR A 30 4.286 -7.212 12.972 1.00 0.00 H new ATOM 0 HA THR A 30 2.150 -6.985 14.835 1.00 0.00 H new ATOM 0 HB THR A 30 4.605 -5.341 15.031 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.809 -7.292 15.625 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.692 -6.246 17.331 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.132 -5.473 16.960 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.266 -7.248 16.971 1.00 0.00 H new ATOM 451 N THR A 31 3.153 -4.190 13.363 1.00 0.00 N ATOM 452 CA THR A 31 2.742 -2.830 13.031 1.00 0.00 C ATOM 453 C THR A 31 1.519 -2.839 12.118 1.00 0.00 C ATOM 454 O THR A 31 0.612 -2.021 12.272 1.00 0.00 O ATOM 455 CB THR A 31 3.891 -2.079 12.357 1.00 0.00 C ATOM 456 OG1 THR A 31 5.133 -2.446 12.928 1.00 0.00 O ATOM 457 CG2 THR A 31 3.765 -0.574 12.461 1.00 0.00 C ATOM 0 H THR A 31 4.075 -4.449 13.012 1.00 0.00 H new ATOM 0 HA THR A 31 2.477 -2.320 13.957 1.00 0.00 H new ATOM 0 HB THR A 31 3.842 -2.360 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.855 -1.956 12.482 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.612 -0.103 11.963 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.839 -0.253 11.984 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.753 -0.282 13.511 1.00 0.00 H new ATOM 465 N LEU A 32 1.503 -3.769 11.169 1.00 0.00 N ATOM 466 CA LEU A 32 0.391 -3.884 10.231 1.00 0.00 C ATOM 467 C LEU A 32 -0.903 -4.235 10.958 1.00 0.00 C ATOM 468 O LEU A 32 -1.992 -3.856 10.526 1.00 0.00 O ATOM 469 CB LEU A 32 0.702 -4.943 9.171 1.00 0.00 C ATOM 470 CG LEU A 32 0.434 -4.514 7.728 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.353 -3.369 7.332 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.609 -5.692 6.781 1.00 0.00 C ATOM 0 H LEU A 32 2.246 -4.453 11.029 1.00 0.00 H new ATOM 0 HA LEU A 32 0.257 -2.919 9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.750 -5.227 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.111 -5.833 9.385 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.597 -4.166 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.148 -3.077 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.180 -2.519 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.391 -3.689 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.414 -5.369 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.629 -6.069 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.091 -6.483 7.051 1.00 0.00 H new ATOM 484 N CYS A 33 -0.777 -4.962 12.064 1.00 0.00 N ATOM 485 CA CYS A 33 -1.937 -5.366 12.850 1.00 0.00 C ATOM 486 C CYS A 33 -2.701 -4.149 13.363 1.00 0.00 C ATOM 487 O CYS A 33 -3.926 -4.173 13.472 1.00 0.00 O ATOM 488 CB CYS A 33 -1.502 -6.242 14.025 1.00 0.00 C ATOM 489 SG CYS A 33 -2.801 -7.331 14.655 1.00 0.00 S ATOM 0 H CYS A 33 0.117 -5.283 12.436 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.600 -5.940 12.203 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.652 -6.850 13.716 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.157 -5.599 14.835 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.500 -7.793 13.661 1.00 0.00 H new ATOM 495 N LEU A 34 -1.967 -3.087 13.678 1.00 0.00 N ATOM 496 CA LEU A 34 -2.576 -1.861 14.183 1.00 0.00 C ATOM 497 C LEU A 34 -3.294 -1.108 13.067 1.00 0.00 C ATOM 498 O LEU A 34 -4.284 -0.417 13.309 1.00 0.00 O ATOM 499 CB LEU A 34 -1.511 -0.963 14.816 1.00 0.00 C ATOM 500 CG LEU A 34 -0.630 -1.645 15.864 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.744 -0.995 15.912 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.293 -1.593 17.232 1.00 0.00 C ATOM 0 H LEU A 34 -0.951 -3.050 13.593 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.310 -2.135 14.941 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.871 -0.571 14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.006 -0.109 15.279 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.505 -2.690 15.581 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.356 -1.494 16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.223 -1.083 14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.639 0.059 16.170 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.653 -2.083 17.966 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.448 -0.554 17.522 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.254 -2.105 17.190 1.00 0.00 H new ATOM 514 N ILE A 35 -2.793 -1.249 11.845 1.00 0.00 N ATOM 515 CA ILE A 35 -3.390 -0.582 10.693 1.00 0.00 C ATOM 516 C ILE A 35 -4.710 -1.238 10.302 1.00 0.00 C ATOM 517 O ILE A 35 -5.684 -0.555 9.988 1.00 0.00 O ATOM 518 CB ILE A 35 -2.441 -0.598 9.478 1.00 0.00 C ATOM 519 CG1 ILE A 35 -1.047 -0.119 9.885 1.00 0.00 C ATOM 520 CG2 ILE A 35 -3.000 0.266 8.358 1.00 0.00 C ATOM 521 CD1 ILE A 35 -0.052 -0.119 8.744 1.00 0.00 C ATOM 0 H ILE A 35 -1.976 -1.819 11.626 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.573 0.452 10.986 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.359 -1.622 9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.122 0.890 10.291 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.671 -0.757 10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.319 0.245 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.973 -0.118 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.109 1.292 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.915 0.232 9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.052 -1.131 8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.406 0.542 7.953 1.00 0.00 H new ATOM 533 N ALA A 36 -4.732 -2.566 10.322 1.00 0.00 N ATOM 534 CA ALA A 36 -5.933 -3.315 9.969 1.00 0.00 C ATOM 535 C ALA A 36 -7.089 -2.970 10.900 1.00 0.00 C ATOM 536 O ALA A 36 -8.234 -2.850 10.466 1.00 0.00 O ATOM 537 CB ALA A 36 -5.650 -4.810 10.007 1.00 0.00 C ATOM 0 H ALA A 36 -3.933 -3.146 10.579 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.222 -3.035 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.554 -5.358 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.859 -5.049 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.334 -5.095 11.010 1.00 0.00 H new ATOM 543 N ALA A 37 -6.784 -2.813 12.184 1.00 0.00 N ATOM 544 CA ALA A 37 -7.799 -2.483 13.176 1.00 0.00 C ATOM 545 C ALA A 37 -8.225 -1.023 13.063 1.00 0.00 C ATOM 546 O ALA A 37 -9.379 -0.680 13.320 1.00 0.00 O ATOM 547 CB ALA A 37 -7.282 -2.776 14.577 1.00 0.00 C ATOM 0 H ALA A 37 -5.841 -2.909 12.561 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.673 -3.105 12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.050 -2.525 15.308 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.035 -3.834 14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.390 -2.179 14.768 1.00 0.00 H new ATOM 553 N GLU A 38 -7.285 -0.166 12.678 1.00 0.00 N ATOM 554 CA GLU A 38 -7.561 1.258 12.531 1.00 0.00 C ATOM 555 C GLU A 38 -8.457 1.517 11.323 1.00 0.00 C ATOM 556 O GLU A 38 -9.622 1.888 11.469 1.00 0.00 O ATOM 557 CB GLU A 38 -6.255 2.042 12.392 1.00 0.00 C ATOM 558 CG GLU A 38 -6.236 3.338 13.187 1.00 0.00 C ATOM 559 CD GLU A 38 -4.889 3.605 13.832 1.00 0.00 C ATOM 560 OE1 GLU A 38 -3.943 3.965 13.101 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.783 3.457 15.067 1.00 0.00 O ATOM 0 H GLU A 38 -6.325 -0.433 12.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.083 1.595 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.427 1.413 12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.087 2.269 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.491 4.168 12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.004 3.298 13.960 1.00 0.00 H new ATOM 568 N ALA A 39 -7.906 1.318 10.130 1.00 0.00 N ATOM 569 CA ALA A 39 -8.655 1.532 8.897 1.00 0.00 C ATOM 570 C ALA A 39 -9.885 0.631 8.840 1.00 0.00 C ATOM 571 O ALA A 39 -10.982 1.085 8.516 1.00 0.00 O ATOM 572 CB ALA A 39 -7.763 1.287 7.690 1.00 0.00 C ATOM 0 H ALA A 39 -6.944 1.009 9.991 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.994 2.568 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.334 1.450 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.918 1.974 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.397 0.261 7.711 1.00 0.00 H new ATOM 578 N GLY A 40 -9.693 -0.645 9.157 1.00 0.00 N ATOM 579 CA GLY A 40 -10.796 -1.588 9.134 1.00 0.00 C ATOM 580 C GLY A 40 -10.637 -2.638 8.052 1.00 0.00 C ATOM 581 O GLY A 40 -11.625 -3.128 7.504 1.00 0.00 O ATOM 0 H GLY A 40 -8.794 -1.043 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.871 -2.079 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.729 -1.047 8.977 1.00 0.00 H new ATOM 585 N LEU A 41 -9.392 -2.985 7.744 1.00 0.00 N ATOM 586 CA LEU A 41 -9.106 -3.983 6.721 1.00 0.00 C ATOM 587 C LEU A 41 -8.384 -5.186 7.320 1.00 0.00 C ATOM 588 O LEU A 41 -8.232 -5.289 8.537 1.00 0.00 O ATOM 589 CB LEU A 41 -8.258 -3.370 5.604 1.00 0.00 C ATOM 590 CG LEU A 41 -8.796 -2.058 5.027 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.658 -1.083 4.767 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.580 -2.319 3.750 1.00 0.00 C ATOM 0 H LEU A 41 -8.564 -2.589 8.189 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.055 -4.322 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.252 -3.196 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.170 -4.096 4.795 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.470 -1.611 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.059 -0.156 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.139 -0.872 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.959 -1.522 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.955 -1.375 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.929 -2.789 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.419 -2.980 3.967 1.00 0.00 H new ATOM 604 N THR A 42 -7.942 -6.094 6.457 1.00 0.00 N ATOM 605 CA THR A 42 -7.235 -7.290 6.900 1.00 0.00 C ATOM 606 C THR A 42 -5.728 -7.125 6.731 1.00 0.00 C ATOM 607 O THR A 42 -5.268 -6.408 5.841 1.00 0.00 O ATOM 608 CB THR A 42 -7.715 -8.512 6.117 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.723 -8.246 4.726 1.00 0.00 O ATOM 610 CG2 THR A 42 -9.108 -8.962 6.504 1.00 0.00 C ATOM 0 H THR A 42 -8.061 -6.025 5.446 1.00 0.00 H new ATOM 0 HA THR A 42 -7.451 -7.437 7.958 1.00 0.00 H new ATOM 0 HB THR A 42 -7.011 -9.307 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.311 -8.886 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.387 -9.833 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.125 -9.223 7.562 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.816 -8.154 6.318 1.00 0.00 H new ATOM 618 N GLU A 43 -4.964 -7.792 7.589 1.00 0.00 N ATOM 619 CA GLU A 43 -3.508 -7.718 7.533 1.00 0.00 C ATOM 620 C GLU A 43 -2.989 -8.219 6.190 1.00 0.00 C ATOM 621 O GLU A 43 -1.973 -7.740 5.687 1.00 0.00 O ATOM 622 CB GLU A 43 -2.891 -8.538 8.669 1.00 0.00 C ATOM 623 CG GLU A 43 -2.624 -7.728 9.927 1.00 0.00 C ATOM 624 CD GLU A 43 -2.891 -8.515 11.196 1.00 0.00 C ATOM 625 OE1 GLU A 43 -4.047 -8.502 11.670 1.00 0.00 O ATOM 626 OE2 GLU A 43 -1.945 -9.144 11.714 1.00 0.00 O ATOM 0 H GLU A 43 -5.328 -8.390 8.331 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.218 -6.674 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.558 -9.364 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.955 -8.976 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.587 -7.391 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.249 -6.835 9.919 1.00 0.00 H new ATOM 633 N GLU A 44 -3.695 -9.184 5.611 1.00 0.00 N ATOM 634 CA GLU A 44 -3.308 -9.749 4.324 1.00 0.00 C ATOM 635 C GLU A 44 -3.533 -8.745 3.198 1.00 0.00 C ATOM 636 O GLU A 44 -2.743 -8.666 2.258 1.00 0.00 O ATOM 637 CB GLU A 44 -4.100 -11.028 4.047 1.00 0.00 C ATOM 638 CG GLU A 44 -3.594 -11.810 2.845 1.00 0.00 C ATOM 639 CD GLU A 44 -2.993 -13.149 3.230 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.588 -13.844 4.079 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.928 -13.501 2.681 1.00 0.00 O ATOM 0 H GLU A 44 -4.539 -9.592 6.013 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.245 -9.988 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.061 -11.668 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.147 -10.770 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.417 -11.972 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.845 -11.217 2.320 1.00 0.00 H new ATOM 648 N GLN A 45 -4.615 -7.981 3.301 1.00 0.00 N ATOM 649 CA GLN A 45 -4.942 -6.982 2.291 1.00 0.00 C ATOM 650 C GLN A 45 -4.035 -5.762 2.415 1.00 0.00 C ATOM 651 O GLN A 45 -3.726 -5.103 1.423 1.00 0.00 O ATOM 652 CB GLN A 45 -6.407 -6.560 2.417 1.00 0.00 C ATOM 653 CG GLN A 45 -7.376 -7.511 1.736 1.00 0.00 C ATOM 654 CD GLN A 45 -8.732 -6.883 1.490 1.00 0.00 C ATOM 655 OE1 GLN A 45 -8.877 -5.999 0.645 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.738 -7.338 2.229 1.00 0.00 N ATOM 0 H GLN A 45 -5.280 -8.034 4.073 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.783 -7.429 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.665 -6.487 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.527 -5.565 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.953 -7.836 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.499 -8.402 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.573 -8.072 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.675 -6.953 2.107 1.00 0.00 H new ATOM 665 N THR A 46 -3.612 -5.467 3.640 1.00 0.00 N ATOM 666 CA THR A 46 -2.739 -4.327 3.894 1.00 0.00 C ATOM 667 C THR A 46 -1.332 -4.590 3.370 1.00 0.00 C ATOM 668 O THR A 46 -0.655 -3.677 2.896 1.00 0.00 O ATOM 669 CB THR A 46 -2.689 -4.021 5.392 1.00 0.00 C ATOM 670 OG1 THR A 46 -3.995 -3.857 5.914 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.901 -2.772 5.722 1.00 0.00 C ATOM 0 H THR A 46 -3.860 -6.002 4.472 1.00 0.00 H new ATOM 0 HA THR A 46 -3.147 -3.465 3.367 1.00 0.00 H new ATOM 0 HB THR A 46 -2.188 -4.876 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.457 -4.721 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.906 -2.613 6.800 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.874 -2.888 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.355 -1.914 5.227 1.00 0.00 H new ATOM 679 N GLN A 47 -0.897 -5.842 3.457 1.00 0.00 N ATOM 680 CA GLN A 47 0.430 -6.225 2.992 1.00 0.00 C ATOM 681 C GLN A 47 0.588 -5.938 1.502 1.00 0.00 C ATOM 682 O GLN A 47 1.611 -5.405 1.067 1.00 0.00 O ATOM 683 CB GLN A 47 0.682 -7.709 3.267 1.00 0.00 C ATOM 684 CG GLN A 47 2.154 -8.062 3.398 1.00 0.00 C ATOM 685 CD GLN A 47 2.371 -9.480 3.889 1.00 0.00 C ATOM 686 OE1 GLN A 47 1.760 -9.912 4.865 1.00 0.00 O ATOM 687 NE2 GLN A 47 3.249 -10.213 3.212 1.00 0.00 N ATOM 0 H GLN A 47 -1.445 -6.609 3.846 1.00 0.00 H new ATOM 0 HA GLN A 47 1.164 -5.632 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.166 -7.993 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.246 -8.299 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.641 -7.938 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.631 -7.365 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.734 -9.814 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.438 -11.174 3.497 1.00 0.00 H new ATOM 696 N LYS A 48 -0.430 -6.293 0.726 1.00 0.00 N ATOM 697 CA LYS A 48 -0.405 -6.073 -0.716 1.00 0.00 C ATOM 698 C LYS A 48 -0.266 -4.589 -1.040 1.00 0.00 C ATOM 699 O LYS A 48 0.326 -4.217 -2.052 1.00 0.00 O ATOM 700 CB LYS A 48 -1.677 -6.629 -1.360 1.00 0.00 C ATOM 701 CG LYS A 48 -1.942 -8.088 -1.023 1.00 0.00 C ATOM 702 CD LYS A 48 -0.818 -8.987 -1.513 1.00 0.00 C ATOM 703 CE LYS A 48 -1.151 -10.456 -1.309 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.074 -11.346 -1.824 1.00 0.00 N ATOM 0 H LYS A 48 -1.283 -6.734 1.071 1.00 0.00 H new ATOM 0 HA LYS A 48 0.460 -6.597 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.529 -6.030 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.603 -6.522 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.054 -8.199 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.883 -8.402 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.634 -8.798 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.102 -8.744 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.305 -10.649 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.088 -10.690 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.339 -12.339 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.056 -11.180 -2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.814 -11.141 -1.324 1.00 0.00 H new ATOM 718 N TRP A 49 -0.817 -3.746 -0.173 1.00 0.00 N ATOM 719 CA TRP A 49 -0.756 -2.302 -0.366 1.00 0.00 C ATOM 720 C TRP A 49 0.687 -1.808 -0.331 1.00 0.00 C ATOM 721 O TRP A 49 1.117 -1.055 -1.204 1.00 0.00 O ATOM 722 CB TRP A 49 -1.577 -1.589 0.710 1.00 0.00 C ATOM 723 CG TRP A 49 -1.810 -0.139 0.416 1.00 0.00 C ATOM 724 CD1 TRP A 49 -2.938 0.419 -0.112 1.00 0.00 C ATOM 725 CD2 TRP A 49 -0.893 0.940 0.633 1.00 0.00 C ATOM 726 NE1 TRP A 49 -2.780 1.777 -0.237 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.531 2.122 0.214 1.00 0.00 C ATOM 728 CE3 TRP A 49 0.407 1.021 1.142 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -0.916 3.368 0.288 1.00 0.00 C ATOM 730 CZ3 TRP A 49 1.018 2.259 1.215 1.00 0.00 C ATOM 731 CH2 TRP A 49 0.355 3.418 0.791 1.00 0.00 C ATOM 0 H TRP A 49 -1.311 -4.038 0.670 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.175 -2.073 -1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.539 -2.090 0.814 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.065 -1.680 1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.826 -0.128 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.477 2.424 -0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.924 0.132 1.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.424 4.263 -0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.022 2.334 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.858 4.371 0.863 1.00 0.00 H new ATOM 742 N PHE A 50 1.428 -2.236 0.685 1.00 0.00 N ATOM 743 CA PHE A 50 2.823 -1.836 0.835 1.00 0.00 C ATOM 744 C PHE A 50 3.672 -2.388 -0.305 1.00 0.00 C ATOM 745 O PHE A 50 4.559 -1.706 -0.818 1.00 0.00 O ATOM 746 CB PHE A 50 3.373 -2.321 2.177 1.00 0.00 C ATOM 747 CG PHE A 50 2.936 -1.480 3.343 1.00 0.00 C ATOM 748 CD1 PHE A 50 1.612 -1.471 3.751 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.850 -0.699 4.031 1.00 0.00 C ATOM 750 CE1 PHE A 50 1.207 -0.699 4.824 1.00 0.00 C ATOM 751 CE2 PHE A 50 3.452 0.076 5.105 1.00 0.00 C ATOM 752 CZ PHE A 50 2.129 0.075 5.501 1.00 0.00 C ATOM 0 H PHE A 50 1.087 -2.859 1.417 1.00 0.00 H new ATOM 0 HA PHE A 50 2.868 -0.747 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.053 -3.350 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.462 -2.329 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.887 -2.074 3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.886 -0.695 3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.172 -0.701 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.174 0.681 5.633 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.816 0.679 6.340 1.00 0.00 H new ATOM 762 N LYS A 51 3.394 -3.626 -0.698 1.00 0.00 N ATOM 763 CA LYS A 51 4.133 -4.271 -1.778 1.00 0.00 C ATOM 764 C LYS A 51 3.828 -3.610 -3.118 1.00 0.00 C ATOM 765 O LYS A 51 4.725 -3.390 -3.931 1.00 0.00 O ATOM 766 CB LYS A 51 3.789 -5.760 -1.840 1.00 0.00 C ATOM 767 CG LYS A 51 4.752 -6.572 -2.692 1.00 0.00 C ATOM 768 CD LYS A 51 4.016 -7.590 -3.548 1.00 0.00 C ATOM 769 CE LYS A 51 4.759 -7.869 -4.844 1.00 0.00 C ATOM 770 NZ LYS A 51 3.951 -8.698 -5.781 1.00 0.00 N ATOM 0 H LYS A 51 2.662 -4.204 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 51 5.198 -4.159 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.782 -6.165 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.780 -5.875 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.325 -5.903 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.466 -7.085 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.896 -8.518 -2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.015 -7.222 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.017 -6.925 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.696 -8.380 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.493 -8.866 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.726 -9.609 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.069 -8.199 -6.013 1.00 0.00 H new ATOM 784 N GLN A 52 2.556 -3.298 -3.342 1.00 0.00 N ATOM 785 CA GLN A 52 2.133 -2.662 -4.585 1.00 0.00 C ATOM 786 C GLN A 52 2.594 -1.210 -4.642 1.00 0.00 C ATOM 787 O GLN A 52 3.106 -0.750 -5.662 1.00 0.00 O ATOM 788 CB GLN A 52 0.611 -2.732 -4.724 1.00 0.00 C ATOM 789 CG GLN A 52 0.123 -3.978 -5.445 1.00 0.00 C ATOM 790 CD GLN A 52 -1.383 -4.138 -5.378 1.00 0.00 C ATOM 791 OE1 GLN A 52 -2.130 -3.175 -5.556 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.839 -5.358 -5.121 1.00 0.00 N ATOM 0 H GLN A 52 1.800 -3.475 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 52 2.594 -3.201 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.162 -2.697 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.263 -1.851 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.434 -3.935 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.598 -4.856 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.185 -6.128 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.844 -5.526 -5.065 1.00 0.00 H new ATOM 801 N ARG A 53 2.409 -0.492 -3.539 1.00 0.00 N ATOM 802 CA ARG A 53 2.805 0.911 -3.464 1.00 0.00 C ATOM 803 C ARG A 53 4.323 1.051 -3.521 1.00 0.00 C ATOM 804 O ARG A 53 4.845 2.048 -4.023 1.00 0.00 O ATOM 805 CB ARG A 53 2.270 1.546 -2.181 1.00 0.00 C ATOM 806 CG ARG A 53 2.027 3.042 -2.299 1.00 0.00 C ATOM 807 CD ARG A 53 0.807 3.342 -3.155 1.00 0.00 C ATOM 808 NE ARG A 53 0.519 4.773 -3.213 1.00 0.00 N ATOM 809 CZ ARG A 53 -0.627 5.282 -3.659 1.00 0.00 C ATOM 810 NH1 ARG A 53 -1.595 4.481 -4.088 1.00 0.00 N ATOM 811 NH2 ARG A 53 -0.806 6.596 -3.678 1.00 0.00 N ATOM 0 H ARG A 53 1.988 -0.858 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 53 2.378 1.430 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.337 1.055 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.978 1.364 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.890 3.469 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.904 3.521 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.970 2.964 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.057 2.814 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 53 1.239 5.421 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.463 3.470 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.471 4.877 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.065 7.216 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.684 6.986 -4.020 1.00 0.00 H new ATOM 825 N LEU A 54 5.026 0.050 -3.003 1.00 0.00 N ATOM 826 CA LEU A 54 6.485 0.064 -2.996 1.00 0.00 C ATOM 827 C LEU A 54 7.038 0.055 -4.417 1.00 0.00 C ATOM 828 O LEU A 54 8.111 0.599 -4.679 1.00 0.00 O ATOM 829 CB LEU A 54 7.023 -1.137 -2.215 1.00 0.00 C ATOM 830 CG LEU A 54 7.235 -0.894 -0.720 1.00 0.00 C ATOM 831 CD1 LEU A 54 7.116 -2.198 0.054 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.588 -0.246 -0.474 1.00 0.00 C ATOM 0 H LEU A 54 4.610 -0.781 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 54 6.813 0.982 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.331 -1.970 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.972 -1.443 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 54 6.460 -0.214 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.270 -2.006 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.124 -2.622 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.869 -2.901 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.723 -0.080 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.378 -0.901 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.635 0.708 -0.998 1.00 0.00 H new ATOM 844 N ALA A 55 6.301 -0.567 -5.332 1.00 0.00 N ATOM 845 CA ALA A 55 6.720 -0.647 -6.726 1.00 0.00 C ATOM 846 C ALA A 55 6.919 0.744 -7.321 1.00 0.00 C ATOM 847 O ALA A 55 7.748 0.936 -8.210 1.00 0.00 O ATOM 848 CB ALA A 55 5.700 -1.429 -7.541 1.00 0.00 C ATOM 0 H ALA A 55 5.411 -1.023 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 55 7.676 -1.170 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.026 -1.480 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.609 -2.438 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.733 -0.929 -7.489 1.00 0.00 H new ATOM 854 N GLU A 56 6.153 1.710 -6.824 1.00 0.00 N ATOM 855 CA GLU A 56 6.245 3.083 -7.309 1.00 0.00 C ATOM 856 C GLU A 56 7.252 3.885 -6.488 1.00 0.00 C ATOM 857 O GLU A 56 8.023 4.674 -7.033 1.00 0.00 O ATOM 858 CB GLU A 56 4.873 3.757 -7.254 1.00 0.00 C ATOM 859 CG GLU A 56 3.820 3.061 -8.100 1.00 0.00 C ATOM 860 CD GLU A 56 2.716 4.000 -8.545 1.00 0.00 C ATOM 861 OE1 GLU A 56 2.937 4.759 -9.513 1.00 0.00 O ATOM 862 OE2 GLU A 56 1.631 3.977 -7.927 1.00 0.00 O ATOM 0 H GLU A 56 5.463 1.568 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 56 6.588 3.055 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.534 3.788 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.971 4.790 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.295 2.623 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.386 2.240 -7.530 1.00 0.00 H new ATOM 869 N TRP A 57 7.237 3.678 -5.176 1.00 0.00 N ATOM 870 CA TRP A 57 8.148 4.382 -4.282 1.00 0.00 C ATOM 871 C TRP A 57 9.600 4.051 -4.610 1.00 0.00 C ATOM 872 O TRP A 57 10.477 4.911 -4.525 1.00 0.00 O ATOM 873 CB TRP A 57 7.848 4.021 -2.825 1.00 0.00 C ATOM 874 CG TRP A 57 8.656 4.808 -1.839 1.00 0.00 C ATOM 875 CD1 TRP A 57 8.451 6.103 -1.459 1.00 0.00 C ATOM 876 CD2 TRP A 57 9.799 4.351 -1.108 1.00 0.00 C ATOM 877 NE1 TRP A 57 9.397 6.479 -0.536 1.00 0.00 N ATOM 878 CE2 TRP A 57 10.236 5.420 -0.304 1.00 0.00 C ATOM 879 CE3 TRP A 57 10.496 3.140 -1.055 1.00 0.00 C ATOM 880 CZ2 TRP A 57 11.337 5.315 0.543 1.00 0.00 C ATOM 881 CZ3 TRP A 57 11.589 3.036 -0.214 1.00 0.00 C ATOM 882 CH2 TRP A 57 11.999 4.118 0.575 1.00 0.00 C ATOM 0 H TRP A 57 6.604 3.029 -4.708 1.00 0.00 H new ATOM 0 HA TRP A 57 7.998 5.452 -4.423 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.788 4.185 -2.629 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.039 2.959 -2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.661 6.739 -1.830 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.464 7.396 -0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.186 2.301 -1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 11.656 6.148 1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.135 2.106 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.856 4.005 1.223 1.00 0.00 H new ATOM 893 N ARG A 58 9.848 2.800 -4.984 1.00 0.00 N ATOM 894 CA ARG A 58 11.195 2.357 -5.324 1.00 0.00 C ATOM 895 C ARG A 58 11.696 3.050 -6.587 1.00 0.00 C ATOM 896 O ARG A 58 12.895 3.274 -6.751 1.00 0.00 O ATOM 897 CB ARG A 58 11.222 0.839 -5.517 1.00 0.00 C ATOM 898 CG ARG A 58 11.096 0.057 -4.220 1.00 0.00 C ATOM 899 CD ARG A 58 11.200 -1.441 -4.459 1.00 0.00 C ATOM 900 NE ARG A 58 12.487 -1.977 -4.022 1.00 0.00 N ATOM 901 CZ ARG A 58 12.974 -3.151 -4.419 1.00 0.00 C ATOM 902 NH1 ARG A 58 12.285 -3.913 -5.260 1.00 0.00 N ATOM 903 NH2 ARG A 58 14.152 -3.564 -3.972 1.00 0.00 N ATOM 0 H ARG A 58 9.134 2.075 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 58 11.856 2.624 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.410 0.552 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.153 0.561 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.877 0.371 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.141 0.286 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.396 -1.950 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.062 -1.649 -5.520 1.00 0.00 H new ATOM 0 HE ARG A 58 13.045 -1.419 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.378 -3.600 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.663 -4.811 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.684 -2.983 -3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.526 -4.463 -4.275 1.00 0.00 H new ATOM 917 N ARG A 59 10.769 3.384 -7.480 1.00 0.00 N ATOM 918 CA ARG A 59 11.117 4.050 -8.731 1.00 0.00 C ATOM 919 C ARG A 59 11.743 5.416 -8.467 1.00 0.00 C ATOM 920 O ARG A 59 12.899 5.656 -8.812 1.00 0.00 O ATOM 921 CB ARG A 59 9.876 4.206 -9.610 1.00 0.00 C ATOM 922 CG ARG A 59 9.400 2.902 -10.231 1.00 0.00 C ATOM 923 CD ARG A 59 9.068 3.072 -11.705 1.00 0.00 C ATOM 924 NE ARG A 59 7.707 3.562 -11.907 1.00 0.00 N ATOM 925 CZ ARG A 59 6.622 2.795 -11.821 1.00 0.00 C ATOM 926 NH1 ARG A 59 6.735 1.505 -11.530 1.00 0.00 N ATOM 927 NH2 ARG A 59 5.422 3.319 -12.026 1.00 0.00 N ATOM 0 H ARG A 59 9.772 3.205 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 59 11.848 3.432 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.069 4.630 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.092 4.920 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.172 2.141 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.519 2.545 -9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.775 3.768 -12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.189 2.117 -12.216 1.00 0.00 H new ATOM 0 HE ARG A 59 7.580 4.550 -12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.656 1.097 -11.371 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.901 0.922 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.330 4.310 -12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.591 2.731 -11.960 1.00 0.00 H new ATOM 941 N SER A 60 10.970 6.309 -7.858 1.00 0.00 N ATOM 942 CA SER A 60 11.447 7.653 -7.553 1.00 0.00 C ATOM 943 C SER A 60 12.658 7.609 -6.627 1.00 0.00 C ATOM 944 O SER A 60 13.751 8.039 -6.998 1.00 0.00 O ATOM 945 CB SER A 60 10.331 8.480 -6.911 1.00 0.00 C ATOM 946 OG SER A 60 9.617 9.218 -7.888 1.00 0.00 O ATOM 0 H SER A 60 10.010 6.126 -7.566 1.00 0.00 H new ATOM 0 HA SER A 60 11.748 8.123 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.647 7.821 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.757 9.162 -6.175 1.00 0.00 H new ATOM 0 HG SER A 60 8.908 9.737 -7.453 1.00 0.00 H new ATOM 952 N GLU A 61 12.458 7.089 -5.421 1.00 0.00 N ATOM 953 CA GLU A 61 13.535 6.992 -4.441 1.00 0.00 C ATOM 954 C GLU A 61 14.706 6.183 -4.990 1.00 0.00 C ATOM 955 O GLU A 61 15.779 6.725 -5.254 1.00 0.00 O ATOM 956 CB GLU A 61 13.020 6.355 -3.149 1.00 0.00 C ATOM 957 CG GLU A 61 12.365 7.348 -2.203 1.00 0.00 C ATOM 958 CD GLU A 61 11.145 8.012 -2.809 1.00 0.00 C ATOM 959 OE1 GLU A 61 10.260 7.285 -3.308 1.00 0.00 O ATOM 960 OE2 GLU A 61 11.073 9.259 -2.783 1.00 0.00 O ATOM 0 H GLU A 61 11.560 6.728 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 61 13.887 8.001 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.301 5.575 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.851 5.870 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.077 6.835 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.090 8.113 -1.926 1.00 0.00 H new ATOM 967 N GLY A 62 14.493 4.882 -5.155 1.00 0.00 N ATOM 968 CA GLY A 62 15.541 4.019 -5.670 1.00 0.00 C ATOM 969 C GLY A 62 16.288 3.295 -4.567 1.00 0.00 C ATOM 970 O GLY A 62 16.878 3.926 -3.689 1.00 0.00 O ATOM 0 H GLY A 62 13.615 4.410 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.104 3.288 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.245 4.614 -6.252 1.00 0.00 H new ATOM 974 N LEU A 63 16.264 1.967 -4.610 1.00 0.00 N ATOM 975 CA LEU A 63 16.943 1.157 -3.606 1.00 0.00 C ATOM 976 C LEU A 63 17.495 -0.128 -4.226 1.00 0.00 C ATOM 977 O LEU A 63 16.792 -0.819 -4.963 1.00 0.00 O ATOM 978 CB LEU A 63 15.982 0.818 -2.463 1.00 0.00 C ATOM 979 CG LEU A 63 16.565 0.972 -1.058 1.00 0.00 C ATOM 980 CD1 LEU A 63 17.145 2.367 -0.871 1.00 0.00 C ATOM 981 CD2 LEU A 63 15.500 0.691 -0.008 1.00 0.00 C ATOM 0 H LEU A 63 15.781 1.429 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 63 17.779 1.734 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.103 1.457 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.642 -0.210 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 63 17.370 0.247 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.555 2.459 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 63 17.936 2.533 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.359 3.109 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.931 0.805 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.676 1.394 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.130 -0.327 -0.129 1.00 0.00 H new ATOM 993 N PRO A 64 18.765 -0.468 -3.936 1.00 0.00 N ATOM 994 CA PRO A 64 19.399 -1.675 -4.473 1.00 0.00 C ATOM 995 C PRO A 64 18.896 -2.946 -3.797 1.00 0.00 C ATOM 996 O PRO A 64 17.927 -2.915 -3.038 1.00 0.00 O ATOM 997 CB PRO A 64 20.880 -1.458 -4.165 1.00 0.00 C ATOM 998 CG PRO A 64 20.889 -0.595 -2.952 1.00 0.00 C ATOM 999 CD PRO A 64 19.681 0.297 -3.066 1.00 0.00 C ATOM 0 HA PRO A 64 19.183 -1.814 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.390 -2.404 -3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 64 21.392 -0.976 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.845 -1.197 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 64 21.805 -0.006 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 64 19.236 0.495 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 64 19.936 1.263 -3.503 1.00 0.00 H new ATOM 1007 N SER A 65 19.560 -4.062 -4.079 1.00 0.00 N ATOM 1008 CA SER A 65 19.182 -5.346 -3.499 1.00 0.00 C ATOM 1009 C SER A 65 20.145 -6.445 -3.938 1.00 0.00 C ATOM 1010 O SER A 65 20.013 -7.002 -5.027 1.00 0.00 O ATOM 1011 CB SER A 65 17.753 -5.712 -3.905 1.00 0.00 C ATOM 1012 OG SER A 65 16.831 -5.385 -2.879 1.00 0.00 O ATOM 0 H SER A 65 20.363 -4.103 -4.706 1.00 0.00 H new ATOM 0 HA SER A 65 19.232 -5.255 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.485 -5.184 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.696 -6.778 -4.123 1.00 0.00 H new ATOM 0 HG SER A 65 16.938 -4.443 -2.632 1.00 0.00 H new ATOM 1018 N GLU A 66 21.114 -6.752 -3.081 1.00 0.00 N ATOM 1019 CA GLU A 66 22.099 -7.784 -3.380 1.00 0.00 C ATOM 1020 C GLU A 66 22.699 -8.351 -2.097 1.00 0.00 C ATOM 1021 O GLU A 66 22.415 -9.486 -1.715 1.00 0.00 O ATOM 1022 CB GLU A 66 23.208 -7.217 -4.269 1.00 0.00 C ATOM 1023 CG GLU A 66 22.802 -7.061 -5.724 1.00 0.00 C ATOM 1024 CD GLU A 66 23.992 -7.040 -6.662 1.00 0.00 C ATOM 1025 OE1 GLU A 66 24.974 -7.764 -6.392 1.00 0.00 O ATOM 1026 OE2 GLU A 66 23.943 -6.301 -7.668 1.00 0.00 O ATOM 0 H GLU A 66 21.238 -6.301 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 66 21.594 -8.591 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.513 -6.246 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.078 -7.871 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.139 -7.880 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.235 -6.138 -5.842 1.00 0.00 H new ATOM 1033 N CYS A 67 23.530 -7.551 -1.437 1.00 0.00 N ATOM 1034 CA CYS A 67 24.171 -7.972 -0.197 1.00 0.00 C ATOM 1035 C CYS A 67 24.611 -6.764 0.624 1.00 0.00 C ATOM 1036 O CYS A 67 24.304 -6.663 1.812 1.00 0.00 O ATOM 1037 CB CYS A 67 25.376 -8.865 -0.497 1.00 0.00 C ATOM 1038 SG CYS A 67 25.698 -10.119 0.765 1.00 0.00 S ATOM 0 H CYS A 67 23.775 -6.608 -1.740 1.00 0.00 H new ATOM 0 HA CYS A 67 23.444 -8.540 0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 67 25.218 -9.361 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 67 26.261 -8.238 -0.605 1.00 0.00 H new ATOM 0 HG CYS A 67 26.734 -10.825 0.421 1.00 0.00 H new ATOM 1044 N ARG A 68 25.331 -5.850 -0.017 1.00 0.00 N ATOM 1045 CA ARG A 68 25.812 -4.648 0.653 1.00 0.00 C ATOM 1046 C ARG A 68 25.958 -3.496 -0.337 1.00 0.00 C ATOM 1047 O ARG A 68 27.065 -3.162 -0.758 1.00 0.00 O ATOM 1048 CB ARG A 68 27.152 -4.922 1.338 1.00 0.00 C ATOM 1049 CG ARG A 68 28.183 -5.568 0.426 1.00 0.00 C ATOM 1050 CD ARG A 68 29.598 -5.337 0.932 1.00 0.00 C ATOM 1051 NE ARG A 68 30.178 -6.549 1.506 1.00 0.00 N ATOM 1052 CZ ARG A 68 31.239 -6.552 2.312 1.00 0.00 C ATOM 1053 NH1 ARG A 68 31.837 -5.415 2.639 1.00 0.00 N ATOM 1054 NH2 ARG A 68 31.701 -7.699 2.791 1.00 0.00 N ATOM 0 H ARG A 68 25.594 -5.919 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 68 25.079 -4.364 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 68 27.554 -3.983 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 68 26.985 -5.570 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 68 27.990 -6.639 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 68 28.085 -5.162 -0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 68 30.225 -4.989 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 29.590 -4.548 1.684 1.00 0.00 H new ATOM 0 HE ARG A 68 29.746 -7.444 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 68 31.485 -4.530 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 68 32.649 -5.425 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 68 31.244 -8.576 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 68 32.513 -7.704 3.408 1.00 0.00 H new ATOM 1068 N SER A 69 24.832 -2.892 -0.703 1.00 0.00 N ATOM 1069 CA SER A 69 24.834 -1.776 -1.643 1.00 0.00 C ATOM 1070 C SER A 69 24.296 -0.510 -0.985 1.00 0.00 C ATOM 1071 O SER A 69 23.094 -0.380 -0.755 1.00 0.00 O ATOM 1072 CB SER A 69 23.994 -2.120 -2.875 1.00 0.00 C ATOM 1073 OG SER A 69 22.970 -3.045 -2.553 1.00 0.00 O ATOM 0 H SER A 69 23.907 -3.156 -0.363 1.00 0.00 H new ATOM 0 HA SER A 69 25.864 -1.594 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.552 -1.211 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 69 24.635 -2.538 -3.651 1.00 0.00 H new ATOM 0 HG SER A 69 22.446 -2.703 -1.799 1.00 0.00 H new ATOM 1079 N VAL A 70 25.195 0.422 -0.684 1.00 0.00 N ATOM 1080 CA VAL A 70 24.811 1.679 -0.054 1.00 0.00 C ATOM 1081 C VAL A 70 25.104 2.865 -0.968 1.00 0.00 C ATOM 1082 O VAL A 70 24.324 3.815 -1.038 1.00 0.00 O ATOM 1083 CB VAL A 70 25.546 1.884 1.285 1.00 0.00 C ATOM 1084 CG1 VAL A 70 25.021 3.118 2.002 1.00 0.00 C ATOM 1085 CG2 VAL A 70 25.410 0.650 2.165 1.00 0.00 C ATOM 0 H VAL A 70 26.194 0.330 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 70 23.739 1.624 0.133 1.00 0.00 H new ATOM 0 HB VAL A 70 26.604 2.038 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 70 25.553 3.245 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.177 3.997 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 70 23.956 2.998 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 70 25.936 0.814 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.356 0.461 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 70 25.841 -0.211 1.654 1.00 0.00 H new ATOM 1095 N THR A 71 26.233 2.802 -1.667 1.00 0.00 N ATOM 1096 CA THR A 71 26.628 3.871 -2.578 1.00 0.00 C ATOM 1097 C THR A 71 27.271 3.302 -3.839 1.00 0.00 C ATOM 1098 O THR A 71 28.347 2.706 -3.784 1.00 0.00 O ATOM 1099 CB THR A 71 27.598 4.827 -1.884 1.00 0.00 C ATOM 1100 OG1 THR A 71 28.735 4.130 -1.407 1.00 0.00 O ATOM 1101 CG2 THR A 71 26.982 5.558 -0.710 1.00 0.00 C ATOM 0 H THR A 71 26.890 2.023 -1.620 1.00 0.00 H new ATOM 0 HA THR A 71 25.731 4.419 -2.866 1.00 0.00 H new ATOM 0 HB THR A 71 27.873 5.559 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.073 3.536 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 27.724 6.220 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.131 6.147 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.646 4.835 0.033 1.00 0.00 H new ATOM 1109 N ASP A 72 26.605 3.492 -4.974 1.00 0.00 N ATOM 1110 CA ASP A 72 27.113 2.999 -6.249 1.00 0.00 C ATOM 1111 C ASP A 72 27.467 4.156 -7.177 1.00 0.00 C ATOM 1112 O ASP A 72 26.622 5.062 -7.342 1.00 0.00 O ATOM 1113 CB ASP A 72 26.077 2.092 -6.917 1.00 0.00 C ATOM 1114 CG ASP A 72 26.322 0.625 -6.626 1.00 0.00 C ATOM 1115 OD1 ASP A 72 27.028 0.324 -5.641 1.00 0.00 O ATOM 1116 OD2 ASP A 72 25.806 -0.225 -7.384 1.00 0.00 O ATOM 1117 OXT ASP A 72 28.587 4.148 -7.731 1.00 0.00 O ATOM 0 H ASP A 72 25.713 3.983 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 72 28.018 2.424 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 72 25.080 2.367 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 72 26.097 2.254 -7.995 1.00 0.00 H new TER 1122 ASP A 72