USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 28 LYS NZ :NH3+ -178:sc= 1.56 (180deg=1.15) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.129 K(o=1.7,f=-2.9) USER MOD Set 2.1: A 26 SER OG : rot 60:sc= 1.02 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.372 K(o=0.65,f=-4.3!) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 4 MET CE :methyl -132:sc= -1.52 (180deg=-3.04!) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 14 MET CE :methyl -179:sc= -1.97 (180deg=-2.11) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot -81:sc= 1.11 USER MOD Single : A 21 ASN : amide:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 37 LYS NZ :NH3+ 144:sc= 1.25 (180deg=1.13) USER MOD Single : A 39 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.88) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -30:sc= 0.687 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -98:sc= 1.78 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -0.0066 (180deg=-0.12) USER MOD Single : A 68 TYR OH : rot -71:sc= -0.556 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.595 -2.112 -1.056 1.00 0.00 N ATOM 2 CA SER A 1 21.974 -1.313 -2.134 1.00 0.00 C ATOM 3 C SER A 1 20.456 -1.298 -1.982 1.00 0.00 C ATOM 4 O SER A 1 19.835 -0.232 -1.968 1.00 0.00 O ATOM 5 CB SER A 1 22.359 -1.893 -3.499 1.00 0.00 C ATOM 6 OG SER A 1 23.768 -2.028 -3.621 1.00 0.00 O ATOM 0 H1 SER A 1 23.628 -2.112 -1.175 1.00 0.00 H new ATOM 0 H2 SER A 1 22.352 -1.698 -0.133 1.00 0.00 H new ATOM 0 H3 SER A 1 22.242 -3.089 -1.101 1.00 0.00 H new ATOM 0 HA SER A 1 22.339 -0.288 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.885 -2.866 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.983 -1.246 -4.291 1.00 0.00 H new ATOM 0 HG SER A 1 23.986 -2.402 -4.500 1.00 0.00 H new ATOM 14 N ASN A 2 19.870 -2.480 -1.851 1.00 0.00 N ATOM 15 CA ASN A 2 18.422 -2.614 -1.748 1.00 0.00 C ATOM 16 C ASN A 2 18.044 -3.317 -0.446 1.00 0.00 C ATOM 17 O ASN A 2 18.881 -3.993 0.159 1.00 0.00 O ATOM 18 CB ASN A 2 17.885 -3.406 -2.943 1.00 0.00 C ATOM 19 CG ASN A 2 18.039 -2.677 -4.267 1.00 0.00 C ATOM 20 OD1 ASN A 2 18.033 -1.445 -4.324 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.162 -3.433 -5.348 1.00 0.00 N ATOM 0 H ASN A 2 20.377 -3.364 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 2 17.978 -1.618 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 2 18.406 -4.362 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 2 16.830 -3.627 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.256 -2.999 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 2 18.163 -4.449 -5.262 1.00 0.00 H new ATOM 28 N ALA A 3 16.796 -3.154 -0.011 1.00 0.00 N ATOM 29 CA ALA A 3 16.321 -3.793 1.218 1.00 0.00 C ATOM 30 C ALA A 3 14.816 -4.040 1.174 1.00 0.00 C ATOM 31 O ALA A 3 14.027 -3.093 1.122 1.00 0.00 O ATOM 32 CB ALA A 3 16.676 -2.944 2.430 1.00 0.00 C ATOM 0 H ALA A 3 16.096 -2.587 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 3 16.819 -4.759 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.316 -3.433 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.758 -2.826 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.209 -1.964 2.337 1.00 0.00 H new ATOM 38 N MET A 4 14.424 -5.310 1.202 1.00 0.00 N ATOM 39 CA MET A 4 13.011 -5.677 1.163 1.00 0.00 C ATOM 40 C MET A 4 12.386 -5.593 2.552 1.00 0.00 C ATOM 41 O MET A 4 12.723 -6.369 3.447 1.00 0.00 O ATOM 42 CB MET A 4 12.819 -7.094 0.610 1.00 0.00 C ATOM 43 CG MET A 4 13.392 -7.314 -0.781 1.00 0.00 C ATOM 44 SD MET A 4 12.825 -6.096 -1.987 1.00 0.00 S ATOM 45 CE MET A 4 11.061 -6.389 -1.968 1.00 0.00 C ATOM 0 H MET A 4 15.064 -6.103 1.252 1.00 0.00 H new ATOM 0 HA MET A 4 12.514 -4.968 0.501 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.282 -7.803 1.296 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.753 -7.320 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.480 -7.283 -0.727 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.118 -8.311 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.694 -6.469 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.852 -7.316 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.560 -5.561 -1.467 1.00 0.00 H new ATOM 55 N GLU A 5 11.474 -4.652 2.720 1.00 0.00 N ATOM 56 CA GLU A 5 10.767 -4.470 3.978 1.00 0.00 C ATOM 57 C GLU A 5 9.288 -4.782 3.786 1.00 0.00 C ATOM 58 O GLU A 5 8.716 -4.466 2.745 1.00 0.00 O ATOM 59 CB GLU A 5 10.937 -3.036 4.478 1.00 0.00 C ATOM 60 CG GLU A 5 12.371 -2.668 4.825 1.00 0.00 C ATOM 61 CD GLU A 5 12.888 -3.398 6.047 1.00 0.00 C ATOM 62 OE1 GLU A 5 12.616 -2.936 7.173 1.00 0.00 O ATOM 63 OE2 GLU A 5 13.569 -4.434 5.891 1.00 0.00 O ATOM 0 H GLU A 5 11.202 -3.993 1.991 1.00 0.00 H new ATOM 0 HA GLU A 5 11.184 -5.150 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.571 -2.350 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.312 -2.893 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.014 -2.893 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.434 -1.593 4.997 1.00 0.00 H new ATOM 70 N GLN A 6 8.679 -5.402 4.779 1.00 0.00 N ATOM 71 CA GLN A 6 7.272 -5.770 4.699 1.00 0.00 C ATOM 72 C GLN A 6 6.466 -5.029 5.759 1.00 0.00 C ATOM 73 O GLN A 6 6.636 -5.262 6.955 1.00 0.00 O ATOM 74 CB GLN A 6 7.102 -7.279 4.868 1.00 0.00 C ATOM 75 CG GLN A 6 7.756 -8.087 3.761 1.00 0.00 C ATOM 76 CD GLN A 6 7.620 -9.581 3.971 1.00 0.00 C ATOM 77 OE1 GLN A 6 6.654 -10.053 4.574 1.00 0.00 O ATOM 78 NE2 GLN A 6 8.583 -10.342 3.474 1.00 0.00 N ATOM 0 H GLN A 6 9.135 -5.663 5.653 1.00 0.00 H new ATOM 0 HA GLN A 6 6.900 -5.486 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.526 -7.580 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.039 -7.516 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.308 -7.816 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.813 -7.827 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.367 -9.915 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.541 -11.355 3.584 1.00 0.00 H new ATOM 87 N LEU A 7 5.593 -4.139 5.321 1.00 0.00 N ATOM 88 CA LEU A 7 4.814 -3.320 6.240 1.00 0.00 C ATOM 89 C LEU A 7 3.328 -3.639 6.135 1.00 0.00 C ATOM 90 O LEU A 7 2.896 -4.344 5.220 1.00 0.00 O ATOM 91 CB LEU A 7 5.051 -1.834 5.960 1.00 0.00 C ATOM 92 CG LEU A 7 6.468 -1.335 6.254 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.604 0.134 5.886 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.819 -1.552 7.720 1.00 0.00 C ATOM 0 H LEU A 7 5.404 -3.963 4.334 1.00 0.00 H new ATOM 0 HA LEU A 7 5.142 -3.549 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.823 -1.637 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.347 -1.252 6.554 1.00 0.00 H new ATOM 0 HG LEU A 7 7.166 -1.909 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.618 0.471 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.397 0.264 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.895 0.722 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.830 -1.191 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.115 -1.005 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.764 -2.615 7.954 1.00 0.00 H new ATOM 106 N THR A 8 2.559 -3.127 7.082 1.00 0.00 N ATOM 107 CA THR A 8 1.118 -3.316 7.086 1.00 0.00 C ATOM 108 C THR A 8 0.413 -1.991 7.351 1.00 0.00 C ATOM 109 O THR A 8 0.612 -1.370 8.395 1.00 0.00 O ATOM 110 CB THR A 8 0.690 -4.348 8.151 1.00 0.00 C ATOM 111 OG1 THR A 8 1.404 -5.578 7.953 1.00 0.00 O ATOM 112 CG2 THR A 8 -0.811 -4.612 8.082 1.00 0.00 C ATOM 0 H THR A 8 2.912 -2.574 7.863 1.00 0.00 H new ATOM 0 HA THR A 8 0.831 -3.693 6.104 1.00 0.00 H new ATOM 0 HB THR A 8 0.926 -3.941 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.130 -6.229 8.633 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.087 -5.342 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.352 -3.682 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.067 -5.000 7.096 1.00 0.00 H new ATOM 120 N LEU A 9 -0.393 -1.558 6.397 1.00 0.00 N ATOM 121 CA LEU A 9 -1.125 -0.307 6.524 1.00 0.00 C ATOM 122 C LEU A 9 -2.621 -0.574 6.595 1.00 0.00 C ATOM 123 O LEU A 9 -3.123 -1.510 5.973 1.00 0.00 O ATOM 124 CB LEU A 9 -0.825 0.647 5.351 1.00 0.00 C ATOM 125 CG LEU A 9 -0.917 0.040 3.948 1.00 0.00 C ATOM 126 CD1 LEU A 9 -1.174 1.128 2.923 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.367 -0.698 3.594 1.00 0.00 C ATOM 0 H LEU A 9 -0.558 -2.056 5.522 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.796 0.172 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.517 1.488 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.179 1.050 5.485 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.745 -0.669 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.237 0.684 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.112 1.633 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.358 1.850 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.279 -1.121 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.206 -0.003 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.536 -1.499 4.313 1.00 0.00 H new ATOM 139 N GLN A 10 -3.320 0.231 7.374 1.00 0.00 N ATOM 140 CA GLN A 10 -4.774 0.171 7.423 1.00 0.00 C ATOM 141 C GLN A 10 -5.352 0.863 6.198 1.00 0.00 C ATOM 142 O GLN A 10 -4.819 1.877 5.755 1.00 0.00 O ATOM 143 CB GLN A 10 -5.297 0.845 8.692 1.00 0.00 C ATOM 144 CG GLN A 10 -4.814 2.275 8.862 1.00 0.00 C ATOM 145 CD GLN A 10 -5.649 3.060 9.850 1.00 0.00 C ATOM 146 OE1 GLN A 10 -5.373 3.073 11.049 1.00 0.00 O ATOM 147 NE2 GLN A 10 -6.679 3.724 9.349 1.00 0.00 N ATOM 0 H GLN A 10 -2.906 0.936 7.983 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.083 -0.874 7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.387 0.838 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.988 0.260 9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.776 2.266 9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.834 2.778 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.872 3.686 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.279 4.274 9.964 1.00 0.00 H new ATOM 156 N VAL A 11 -6.422 0.322 5.643 1.00 0.00 N ATOM 157 CA VAL A 11 -7.048 0.935 4.482 1.00 0.00 C ATOM 158 C VAL A 11 -8.484 1.365 4.788 1.00 0.00 C ATOM 159 O VAL A 11 -9.399 0.546 4.870 1.00 0.00 O ATOM 160 CB VAL A 11 -7.006 0.010 3.233 1.00 0.00 C ATOM 161 CG1 VAL A 11 -7.416 -1.413 3.582 1.00 0.00 C ATOM 162 CG2 VAL A 11 -7.884 0.566 2.118 1.00 0.00 C ATOM 0 H VAL A 11 -6.873 -0.532 5.972 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.465 1.825 4.246 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.976 -0.019 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.376 -2.033 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.735 -1.814 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.432 -1.412 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.839 -0.098 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.914 0.638 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.528 1.556 1.834 1.00 0.00 H new ATOM 172 N GLU A 12 -8.657 2.664 4.997 1.00 0.00 N ATOM 173 CA GLU A 12 -9.981 3.243 5.162 1.00 0.00 C ATOM 174 C GLU A 12 -10.436 3.859 3.845 1.00 0.00 C ATOM 175 O GLU A 12 -9.707 4.647 3.241 1.00 0.00 O ATOM 176 CB GLU A 12 -9.969 4.304 6.264 1.00 0.00 C ATOM 177 CG GLU A 12 -9.707 3.742 7.653 1.00 0.00 C ATOM 178 CD GLU A 12 -10.853 2.896 8.168 1.00 0.00 C ATOM 179 OE1 GLU A 12 -11.826 3.471 8.699 1.00 0.00 O ATOM 180 OE2 GLU A 12 -10.788 1.653 8.052 1.00 0.00 O ATOM 0 H GLU A 12 -7.893 3.337 5.056 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.678 2.456 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.205 5.047 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.928 4.823 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.798 3.141 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.529 4.565 8.345 1.00 0.00 H new ATOM 187 N GLY A 13 -11.620 3.476 3.396 1.00 0.00 N ATOM 188 CA GLY A 13 -12.148 3.991 2.148 1.00 0.00 C ATOM 189 C GLY A 13 -12.578 2.881 1.211 1.00 0.00 C ATOM 190 O GLY A 13 -12.899 3.127 0.049 1.00 0.00 O ATOM 0 H GLY A 13 -12.229 2.814 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.999 4.640 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.391 4.604 1.660 1.00 0.00 H new ATOM 194 N MET A 14 -12.574 1.652 1.716 1.00 0.00 N ATOM 195 CA MET A 14 -12.995 0.496 0.933 1.00 0.00 C ATOM 196 C MET A 14 -14.493 0.557 0.640 1.00 0.00 C ATOM 197 O MET A 14 -15.250 1.218 1.355 1.00 0.00 O ATOM 198 CB MET A 14 -12.664 -0.800 1.676 1.00 0.00 C ATOM 199 CG MET A 14 -11.176 -1.010 1.904 1.00 0.00 C ATOM 200 SD MET A 14 -10.818 -2.535 2.796 1.00 0.00 S ATOM 201 CE MET A 14 -11.752 -2.262 4.299 1.00 0.00 C ATOM 0 H MET A 14 -12.283 1.430 2.668 1.00 0.00 H new ATOM 0 HA MET A 14 -12.453 0.512 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.173 -0.796 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.059 -1.644 1.110 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.664 -1.028 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.775 -0.164 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.620 -3.112 4.969 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.396 -1.355 4.789 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.809 -2.152 4.056 1.00 0.00 H new ATOM 211 N SER A 15 -14.918 -0.139 -0.405 1.00 0.00 N ATOM 212 CA SER A 15 -16.314 -0.130 -0.806 1.00 0.00 C ATOM 213 C SER A 15 -16.705 -1.478 -1.409 1.00 0.00 C ATOM 214 O SER A 15 -17.421 -2.264 -0.788 1.00 0.00 O ATOM 215 CB SER A 15 -16.554 1.005 -1.807 1.00 0.00 C ATOM 216 OG SER A 15 -17.927 1.140 -2.121 1.00 0.00 O ATOM 0 H SER A 15 -14.314 -0.717 -0.990 1.00 0.00 H new ATOM 0 HA SER A 15 -16.938 0.038 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.181 1.942 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.989 0.812 -2.719 1.00 0.00 H new ATOM 0 HG SER A 15 -18.046 1.873 -2.760 1.00 0.00 H new ATOM 222 N CYS A 16 -16.229 -1.742 -2.615 1.00 0.00 N ATOM 223 CA CYS A 16 -16.483 -3.008 -3.283 1.00 0.00 C ATOM 224 C CYS A 16 -15.153 -3.682 -3.600 1.00 0.00 C ATOM 225 O CYS A 16 -14.107 -3.224 -3.147 1.00 0.00 O ATOM 226 CB CYS A 16 -17.294 -2.773 -4.562 1.00 0.00 C ATOM 227 SG CYS A 16 -18.851 -1.890 -4.291 1.00 0.00 S ATOM 0 H CYS A 16 -15.660 -1.090 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.063 -3.660 -2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.685 -2.208 -5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.509 -3.735 -5.026 1.00 0.00 H new ATOM 0 HG CYS A 16 -19.466 -1.736 -5.426 1.00 0.00 H new ATOM 233 N GLY A 17 -15.184 -4.753 -4.379 1.00 0.00 N ATOM 234 CA GLY A 17 -13.959 -5.467 -4.700 1.00 0.00 C ATOM 235 C GLY A 17 -12.997 -4.641 -5.539 1.00 0.00 C ATOM 236 O GLY A 17 -11.795 -4.908 -5.568 1.00 0.00 O ATOM 0 H GLY A 17 -16.030 -5.142 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.464 -5.764 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.208 -6.383 -5.237 1.00 0.00 H new ATOM 240 N HIS A 18 -13.521 -3.622 -6.208 1.00 0.00 N ATOM 241 CA HIS A 18 -12.715 -2.791 -7.095 1.00 0.00 C ATOM 242 C HIS A 18 -11.793 -1.862 -6.302 1.00 0.00 C ATOM 243 O HIS A 18 -10.728 -1.475 -6.788 1.00 0.00 O ATOM 244 CB HIS A 18 -13.616 -1.981 -8.033 1.00 0.00 C ATOM 245 CG HIS A 18 -12.871 -1.252 -9.116 1.00 0.00 C ATOM 246 ND1 HIS A 18 -13.107 0.067 -9.434 1.00 0.00 N ATOM 247 CD2 HIS A 18 -11.902 -1.674 -9.964 1.00 0.00 C ATOM 248 CE1 HIS A 18 -12.318 0.425 -10.432 1.00 0.00 C ATOM 249 NE2 HIS A 18 -11.576 -0.612 -10.769 1.00 0.00 N ATOM 0 H HIS A 18 -14.503 -3.350 -6.153 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.088 -3.451 -7.694 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.341 -2.652 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.180 -1.258 -7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.467 -2.662 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.286 1.401 -10.893 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.873 -0.623 -11.508 1.00 0.00 H new ATOM 258 N CYS A 19 -12.186 -1.513 -5.077 1.00 0.00 N ATOM 259 CA CYS A 19 -11.370 -0.629 -4.250 1.00 0.00 C ATOM 260 C CYS A 19 -10.060 -1.319 -3.888 1.00 0.00 C ATOM 261 O CYS A 19 -9.043 -0.662 -3.646 1.00 0.00 O ATOM 262 CB CYS A 19 -12.118 -0.206 -2.980 1.00 0.00 C ATOM 263 SG CYS A 19 -12.339 -1.522 -1.761 1.00 0.00 S ATOM 0 H CYS A 19 -13.054 -1.825 -4.641 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.154 0.272 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -11.577 0.617 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.098 0.177 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.356 -2.259 -2.098 1.00 0.00 H new ATOM 269 N VAL A 20 -10.095 -2.651 -3.868 1.00 0.00 N ATOM 270 CA VAL A 20 -8.904 -3.451 -3.638 1.00 0.00 C ATOM 271 C VAL A 20 -7.861 -3.133 -4.698 1.00 0.00 C ATOM 272 O VAL A 20 -6.740 -2.761 -4.375 1.00 0.00 O ATOM 273 CB VAL A 20 -9.217 -4.963 -3.662 1.00 0.00 C ATOM 274 CG1 VAL A 20 -7.951 -5.782 -3.449 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.263 -5.309 -2.614 1.00 0.00 C ATOM 0 H VAL A 20 -10.945 -3.197 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.522 -3.202 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.619 -5.212 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.197 -6.844 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.236 -5.559 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.513 -5.530 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.470 -6.379 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.890 -5.041 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.180 -4.755 -2.818 1.00 0.00 H new ATOM 285 N ASN A 21 -8.261 -3.251 -5.964 1.00 0.00 N ATOM 286 CA ASN A 21 -7.381 -2.939 -7.089 1.00 0.00 C ATOM 287 C ASN A 21 -6.884 -1.502 -7.002 1.00 0.00 C ATOM 288 O ASN A 21 -5.712 -1.224 -7.259 1.00 0.00 O ATOM 289 CB ASN A 21 -8.108 -3.154 -8.423 1.00 0.00 C ATOM 290 CG ASN A 21 -7.315 -2.635 -9.614 1.00 0.00 C ATOM 291 OD1 ASN A 21 -6.487 -3.347 -10.184 1.00 0.00 O ATOM 292 ND2 ASN A 21 -7.574 -1.396 -10.010 1.00 0.00 N ATOM 0 H ASN A 21 -9.193 -3.562 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.525 -3.613 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.304 -4.218 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.076 -2.653 -8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.081 -1.003 -10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.267 -0.836 -9.513 1.00 0.00 H new ATOM 299 N ALA A 22 -7.787 -0.597 -6.633 1.00 0.00 N ATOM 300 CA ALA A 22 -7.462 0.818 -6.521 1.00 0.00 C ATOM 301 C ALA A 22 -6.254 1.044 -5.622 1.00 0.00 C ATOM 302 O ALA A 22 -5.232 1.564 -6.070 1.00 0.00 O ATOM 303 CB ALA A 22 -8.657 1.596 -6.005 1.00 0.00 C ATOM 0 H ALA A 22 -8.755 -0.823 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.208 1.180 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.398 2.652 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.493 1.478 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.940 1.218 -5.022 1.00 0.00 H new ATOM 309 N ILE A 23 -6.355 0.639 -4.361 1.00 0.00 N ATOM 310 CA ILE A 23 -5.252 0.829 -3.434 1.00 0.00 C ATOM 311 C ILE A 23 -4.091 -0.102 -3.781 1.00 0.00 C ATOM 312 O ILE A 23 -2.928 0.267 -3.620 1.00 0.00 O ATOM 313 CB ILE A 23 -5.668 0.650 -1.950 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.457 0.877 -1.041 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.284 -0.720 -1.696 1.00 0.00 C ATOM 316 CD1 ILE A 23 -4.778 0.824 0.435 1.00 0.00 C ATOM 0 H ILE A 23 -7.177 0.184 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.929 1.864 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.433 1.392 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.701 0.124 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.019 1.848 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.562 -0.805 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.172 -0.840 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.560 -1.496 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.869 0.994 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.510 1.595 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.187 -0.155 0.683 1.00 0.00 H new ATOM 328 N GLU A 24 -4.414 -1.295 -4.283 1.00 0.00 N ATOM 329 CA GLU A 24 -3.398 -2.255 -4.708 1.00 0.00 C ATOM 330 C GLU A 24 -2.413 -1.599 -5.666 1.00 0.00 C ATOM 331 O GLU A 24 -1.207 -1.588 -5.416 1.00 0.00 O ATOM 332 CB GLU A 24 -4.052 -3.468 -5.381 1.00 0.00 C ATOM 333 CG GLU A 24 -3.065 -4.538 -5.811 1.00 0.00 C ATOM 334 CD GLU A 24 -3.727 -5.704 -6.513 1.00 0.00 C ATOM 335 OE1 GLU A 24 -4.282 -6.586 -5.819 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.680 -5.754 -7.761 1.00 0.00 O ATOM 0 H GLU A 24 -5.374 -1.619 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.858 -2.593 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.773 -3.908 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.610 -3.130 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.323 -4.095 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.530 -4.904 -4.935 1.00 0.00 H new ATOM 343 N SER A 25 -2.927 -1.026 -6.747 1.00 0.00 N ATOM 344 CA SER A 25 -2.074 -0.379 -7.728 1.00 0.00 C ATOM 345 C SER A 25 -1.504 0.928 -7.200 1.00 0.00 C ATOM 346 O SER A 25 -0.395 1.300 -7.560 1.00 0.00 O ATOM 347 CB SER A 25 -2.821 -0.115 -9.027 1.00 0.00 C ATOM 348 OG SER A 25 -3.329 -1.316 -9.588 1.00 0.00 O ATOM 0 H SER A 25 -3.923 -0.997 -6.963 1.00 0.00 H new ATOM 0 HA SER A 25 -1.251 -1.066 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.642 0.577 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.153 0.367 -9.741 1.00 0.00 H new ATOM 0 HG SER A 25 -3.805 -1.113 -10.420 1.00 0.00 H new ATOM 354 N SER A 26 -2.254 1.626 -6.352 1.00 0.00 N ATOM 355 CA SER A 26 -1.764 2.871 -5.770 1.00 0.00 C ATOM 356 C SER A 26 -0.435 2.637 -5.060 1.00 0.00 C ATOM 357 O SER A 26 0.432 3.502 -5.046 1.00 0.00 O ATOM 358 CB SER A 26 -2.793 3.465 -4.809 1.00 0.00 C ATOM 359 OG SER A 26 -3.987 3.809 -5.495 1.00 0.00 O ATOM 0 H SER A 26 -3.192 1.355 -6.055 1.00 0.00 H new ATOM 0 HA SER A 26 -1.605 3.587 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.016 2.747 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.378 4.350 -4.327 1.00 0.00 H new ATOM 0 HG SER A 26 -4.371 3.007 -5.906 1.00 0.00 H new ATOM 365 N VAL A 27 -0.290 1.462 -4.463 1.00 0.00 N ATOM 366 CA VAL A 27 0.981 1.055 -3.892 1.00 0.00 C ATOM 367 C VAL A 27 1.881 0.442 -4.968 1.00 0.00 C ATOM 368 O VAL A 27 3.015 0.862 -5.152 1.00 0.00 O ATOM 369 CB VAL A 27 0.795 0.030 -2.756 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.103 -0.179 -2.013 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.302 0.464 -1.799 1.00 0.00 C ATOM 0 H VAL A 27 -1.038 0.776 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 27 1.447 1.951 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 27 0.492 -0.918 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.955 -0.905 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.859 -0.549 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.434 0.768 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.410 -0.279 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.041 1.427 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.243 0.556 -2.342 1.00 0.00 H new ATOM 381 N LYS A 28 1.342 -0.545 -5.680 1.00 0.00 N ATOM 382 CA LYS A 28 2.105 -1.345 -6.647 1.00 0.00 C ATOM 383 C LYS A 28 2.791 -0.490 -7.718 1.00 0.00 C ATOM 384 O LYS A 28 3.938 -0.758 -8.086 1.00 0.00 O ATOM 385 CB LYS A 28 1.170 -2.359 -7.313 1.00 0.00 C ATOM 386 CG LYS A 28 1.823 -3.223 -8.383 1.00 0.00 C ATOM 387 CD LYS A 28 2.698 -4.318 -7.793 1.00 0.00 C ATOM 388 CE LYS A 28 3.267 -5.203 -8.891 1.00 0.00 C ATOM 389 NZ LYS A 28 3.982 -6.391 -8.349 1.00 0.00 N ATOM 0 H LYS A 28 0.362 -0.817 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 28 2.895 -1.855 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.756 -3.010 -6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.334 -1.822 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.049 -3.675 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.426 -2.593 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.511 -3.871 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.114 -4.922 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.458 -5.535 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.952 -4.619 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.380 -6.944 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.750 -6.078 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.316 -6.982 -7.812 1.00 0.00 H new ATOM 403 N GLU A 29 2.091 0.524 -8.220 1.00 0.00 N ATOM 404 CA GLU A 29 2.622 1.379 -9.278 1.00 0.00 C ATOM 405 C GLU A 29 3.865 2.120 -8.811 1.00 0.00 C ATOM 406 O GLU A 29 4.777 2.386 -9.593 1.00 0.00 O ATOM 407 CB GLU A 29 1.572 2.379 -9.740 1.00 0.00 C ATOM 408 CG GLU A 29 0.482 1.733 -10.563 1.00 0.00 C ATOM 409 CD GLU A 29 0.959 1.293 -11.927 1.00 0.00 C ATOM 410 OE1 GLU A 29 1.384 2.155 -12.725 1.00 0.00 O ATOM 411 OE2 GLU A 29 0.894 0.080 -12.215 1.00 0.00 O ATOM 0 H GLU A 29 1.152 0.774 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 29 2.894 0.736 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.128 2.863 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.053 3.160 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.090 0.870 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.342 2.436 -10.681 1.00 0.00 H new ATOM 418 N LEU A 30 3.881 2.446 -7.529 1.00 0.00 N ATOM 419 CA LEU A 30 4.998 3.169 -6.914 1.00 0.00 C ATOM 420 C LEU A 30 6.322 2.434 -7.130 1.00 0.00 C ATOM 421 O LEU A 30 6.427 1.231 -6.879 1.00 0.00 O ATOM 422 CB LEU A 30 4.740 3.364 -5.414 1.00 0.00 C ATOM 423 CG LEU A 30 4.033 4.666 -5.015 1.00 0.00 C ATOM 424 CD1 LEU A 30 5.029 5.808 -4.942 1.00 0.00 C ATOM 425 CD2 LEU A 30 2.922 5.009 -5.996 1.00 0.00 C ATOM 0 H LEU A 30 3.126 2.221 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 30 5.072 4.145 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.142 2.525 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.696 3.319 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 30 3.589 4.517 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.512 6.724 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.793 5.577 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.499 5.944 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.438 5.936 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.343 5.133 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.187 4.204 -6.010 1.00 0.00 H new ATOM 437 N ASN A 31 7.328 3.163 -7.603 1.00 0.00 N ATOM 438 CA ASN A 31 8.636 2.577 -7.882 1.00 0.00 C ATOM 439 C ASN A 31 9.334 2.190 -6.587 1.00 0.00 C ATOM 440 O ASN A 31 9.658 3.048 -5.763 1.00 0.00 O ATOM 441 CB ASN A 31 9.521 3.550 -8.663 1.00 0.00 C ATOM 442 CG ASN A 31 10.729 2.866 -9.274 1.00 0.00 C ATOM 443 OD1 ASN A 31 11.766 2.714 -8.630 1.00 0.00 O ATOM 444 ND2 ASN A 31 10.606 2.464 -10.530 1.00 0.00 N ATOM 0 H ASN A 31 7.263 4.161 -7.801 1.00 0.00 H new ATOM 0 HA ASN A 31 8.475 1.685 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.933 4.018 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.855 4.347 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.389 2.009 -10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.728 2.609 -11.028 1.00 0.00 H new ATOM 451 N GLY A 32 9.565 0.902 -6.419 1.00 0.00 N ATOM 452 CA GLY A 32 10.189 0.407 -5.214 1.00 0.00 C ATOM 453 C GLY A 32 9.293 -0.572 -4.491 1.00 0.00 C ATOM 454 O GLY A 32 9.711 -1.229 -3.540 1.00 0.00 O ATOM 0 H GLY A 32 9.329 0.183 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.133 -0.077 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.424 1.243 -4.555 1.00 0.00 H new ATOM 458 N VAL A 33 8.049 -0.663 -4.941 1.00 0.00 N ATOM 459 CA VAL A 33 7.100 -1.605 -4.377 1.00 0.00 C ATOM 460 C VAL A 33 7.156 -2.928 -5.126 1.00 0.00 C ATOM 461 O VAL A 33 7.179 -2.955 -6.358 1.00 0.00 O ATOM 462 CB VAL A 33 5.666 -1.048 -4.419 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.663 -2.090 -3.956 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.567 0.196 -3.559 1.00 0.00 C ATOM 0 H VAL A 33 7.675 -0.092 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 33 7.377 -1.767 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 33 5.430 -0.787 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.658 -1.670 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.718 -2.962 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.892 -2.386 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.549 0.583 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.825 -0.052 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.256 0.953 -3.933 1.00 0.00 H new ATOM 474 N GLU A 34 7.183 -4.016 -4.380 1.00 0.00 N ATOM 475 CA GLU A 34 7.270 -5.336 -4.974 1.00 0.00 C ATOM 476 C GLU A 34 5.899 -5.999 -5.035 1.00 0.00 C ATOM 477 O GLU A 34 5.321 -6.143 -6.106 1.00 0.00 O ATOM 478 CB GLU A 34 8.235 -6.197 -4.164 1.00 0.00 C ATOM 479 CG GLU A 34 8.326 -7.634 -4.638 1.00 0.00 C ATOM 480 CD GLU A 34 8.823 -7.743 -6.065 1.00 0.00 C ATOM 481 OE1 GLU A 34 10.050 -7.831 -6.270 1.00 0.00 O ATOM 482 OE2 GLU A 34 7.988 -7.733 -6.992 1.00 0.00 O ATOM 0 H GLU A 34 7.146 -4.012 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 34 7.641 -5.235 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.228 -5.748 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.924 -6.189 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.995 -8.189 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.344 -8.101 -4.562 1.00 0.00 H new ATOM 489 N GLN A 35 5.366 -6.366 -3.879 1.00 0.00 N ATOM 490 CA GLN A 35 4.103 -7.083 -3.817 1.00 0.00 C ATOM 491 C GLN A 35 3.171 -6.475 -2.789 1.00 0.00 C ATOM 492 O GLN A 35 3.611 -5.985 -1.752 1.00 0.00 O ATOM 493 CB GLN A 35 4.350 -8.554 -3.493 1.00 0.00 C ATOM 494 CG GLN A 35 4.795 -9.356 -4.698 1.00 0.00 C ATOM 495 CD GLN A 35 3.686 -9.501 -5.726 1.00 0.00 C ATOM 496 OE1 GLN A 35 3.526 -8.662 -6.615 1.00 0.00 O ATOM 497 NE2 GLN A 35 2.912 -10.571 -5.608 1.00 0.00 N ATOM 0 H GLN A 35 5.790 -6.178 -2.970 1.00 0.00 H new ATOM 0 HA GLN A 35 3.625 -7.003 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.109 -8.627 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.436 -8.990 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.655 -8.871 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.122 -10.345 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.079 -11.241 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.150 -10.724 -6.268 1.00 0.00 H new ATOM 506 N VAL A 36 1.883 -6.516 -3.090 1.00 0.00 N ATOM 507 CA VAL A 36 0.871 -5.954 -2.212 1.00 0.00 C ATOM 508 C VAL A 36 -0.300 -6.916 -2.068 1.00 0.00 C ATOM 509 O VAL A 36 -0.736 -7.532 -3.044 1.00 0.00 O ATOM 510 CB VAL A 36 0.357 -4.594 -2.738 1.00 0.00 C ATOM 511 CG1 VAL A 36 1.453 -3.549 -2.673 1.00 0.00 C ATOM 512 CG2 VAL A 36 -0.151 -4.722 -4.164 1.00 0.00 C ATOM 0 H VAL A 36 1.512 -6.936 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 36 1.335 -5.795 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.470 -4.279 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.072 -2.599 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.779 -3.428 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.297 -3.868 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.507 -3.752 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.658 -5.064 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.969 -5.442 -4.196 1.00 0.00 H new ATOM 522 N LYS A 37 -0.786 -7.069 -0.848 1.00 0.00 N ATOM 523 CA LYS A 37 -1.932 -7.923 -0.586 1.00 0.00 C ATOM 524 C LYS A 37 -2.975 -7.166 0.226 1.00 0.00 C ATOM 525 O LYS A 37 -2.867 -7.072 1.452 1.00 0.00 O ATOM 526 CB LYS A 37 -1.520 -9.193 0.169 1.00 0.00 C ATOM 527 CG LYS A 37 -0.351 -9.950 -0.451 1.00 0.00 C ATOM 528 CD LYS A 37 -0.255 -11.368 0.096 1.00 0.00 C ATOM 529 CE LYS A 37 -0.234 -11.390 1.615 1.00 0.00 C ATOM 530 NZ LYS A 37 1.073 -10.962 2.180 1.00 0.00 N ATOM 0 H LYS A 37 -0.403 -6.611 -0.021 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.356 -8.215 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.259 -8.923 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.379 -9.861 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.470 -9.983 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.578 -9.417 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.101 -11.954 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.648 -11.844 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.020 -10.737 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.462 -12.398 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.913 -10.424 3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.652 -11.800 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.569 -10.362 1.491 1.00 0.00 H new ATOM 544 N VAL A 38 -3.954 -6.598 -0.463 1.00 0.00 N ATOM 545 CA VAL A 38 -5.048 -5.896 0.191 1.00 0.00 C ATOM 546 C VAL A 38 -6.058 -6.897 0.739 1.00 0.00 C ATOM 547 O VAL A 38 -6.581 -7.729 -0.007 1.00 0.00 O ATOM 548 CB VAL A 38 -5.768 -4.939 -0.783 1.00 0.00 C ATOM 549 CG1 VAL A 38 -6.859 -4.154 -0.068 1.00 0.00 C ATOM 550 CG2 VAL A 38 -4.771 -4.000 -1.447 1.00 0.00 C ATOM 0 H VAL A 38 -4.013 -6.610 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.622 -5.310 1.005 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.242 -5.539 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.351 -3.487 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.592 -4.846 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.417 -3.566 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.298 -3.333 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.263 -3.410 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.037 -4.583 -2.003 1.00 0.00 H new ATOM 560 N GLN A 39 -6.314 -6.831 2.038 1.00 0.00 N ATOM 561 CA GLN A 39 -7.267 -7.730 2.668 1.00 0.00 C ATOM 562 C GLN A 39 -8.563 -6.991 2.975 1.00 0.00 C ATOM 563 O GLN A 39 -8.627 -6.187 3.905 1.00 0.00 O ATOM 564 CB GLN A 39 -6.679 -8.337 3.945 1.00 0.00 C ATOM 565 CG GLN A 39 -5.331 -9.011 3.730 1.00 0.00 C ATOM 566 CD GLN A 39 -5.355 -10.037 2.610 1.00 0.00 C ATOM 567 OE1 GLN A 39 -6.373 -10.680 2.353 1.00 0.00 O ATOM 568 NE2 GLN A 39 -4.231 -10.189 1.929 1.00 0.00 N ATOM 0 H GLN A 39 -5.875 -6.165 2.674 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.484 -8.543 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.569 -7.553 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.381 -9.067 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.583 -8.251 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.022 -9.498 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.408 -9.637 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.187 -10.858 1.160 1.00 0.00 H new ATOM 577 N LEU A 40 -9.588 -7.272 2.183 1.00 0.00 N ATOM 578 CA LEU A 40 -10.867 -6.577 2.277 1.00 0.00 C ATOM 579 C LEU A 40 -11.547 -6.871 3.615 1.00 0.00 C ATOM 580 O LEU A 40 -12.114 -5.976 4.243 1.00 0.00 O ATOM 581 CB LEU A 40 -11.767 -7.009 1.106 1.00 0.00 C ATOM 582 CG LEU A 40 -12.879 -6.028 0.694 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.974 -5.943 1.748 1.00 0.00 C ATOM 584 CD2 LEU A 40 -12.297 -4.649 0.424 1.00 0.00 C ATOM 0 H LEU A 40 -9.558 -7.988 1.457 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.694 -5.502 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.133 -7.190 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.231 -7.961 1.366 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.331 -6.409 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.740 -5.241 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.420 -6.927 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.546 -5.600 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.096 -3.967 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.811 -4.276 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.565 -4.714 -0.381 1.00 0.00 H new ATOM 596 N ALA A 41 -11.466 -8.122 4.060 1.00 0.00 N ATOM 597 CA ALA A 41 -12.154 -8.548 5.272 1.00 0.00 C ATOM 598 C ALA A 41 -11.554 -7.891 6.507 1.00 0.00 C ATOM 599 O ALA A 41 -12.275 -7.458 7.405 1.00 0.00 O ATOM 600 CB ALA A 41 -12.112 -10.065 5.409 1.00 0.00 C ATOM 0 H ALA A 41 -10.931 -8.857 3.599 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.194 -8.232 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.631 -10.363 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.600 -10.522 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.075 -10.397 5.457 1.00 0.00 H new ATOM 606 N GLU A 42 -10.233 -7.806 6.540 1.00 0.00 N ATOM 607 CA GLU A 42 -9.538 -7.261 7.695 1.00 0.00 C ATOM 608 C GLU A 42 -9.404 -5.748 7.594 1.00 0.00 C ATOM 609 O GLU A 42 -9.332 -5.054 8.607 1.00 0.00 O ATOM 610 CB GLU A 42 -8.169 -7.920 7.843 1.00 0.00 C ATOM 611 CG GLU A 42 -8.268 -9.421 8.063 1.00 0.00 C ATOM 612 CD GLU A 42 -6.926 -10.087 8.275 1.00 0.00 C ATOM 613 OE1 GLU A 42 -6.253 -9.759 9.267 1.00 0.00 O ATOM 614 OE2 GLU A 42 -6.559 -10.966 7.467 1.00 0.00 O ATOM 0 H GLU A 42 -9.622 -8.107 5.781 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.128 -7.479 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.577 -7.725 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.640 -7.467 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.901 -9.613 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.759 -9.875 7.202 1.00 0.00 H new ATOM 621 N GLY A 43 -9.393 -5.236 6.372 1.00 0.00 N ATOM 622 CA GLY A 43 -9.286 -3.807 6.175 1.00 0.00 C ATOM 623 C GLY A 43 -7.860 -3.324 6.288 1.00 0.00 C ATOM 624 O GLY A 43 -7.609 -2.174 6.663 1.00 0.00 O ATOM 0 H GLY A 43 -9.456 -5.785 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.680 -3.546 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.902 -3.293 6.912 1.00 0.00 H new ATOM 628 N THR A 44 -6.920 -4.198 5.969 1.00 0.00 N ATOM 629 CA THR A 44 -5.515 -3.849 6.006 1.00 0.00 C ATOM 630 C THR A 44 -4.805 -4.318 4.740 1.00 0.00 C ATOM 631 O THR A 44 -5.319 -5.160 4.000 1.00 0.00 O ATOM 632 CB THR A 44 -4.823 -4.458 7.244 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.049 -5.872 7.283 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.340 -3.831 8.528 1.00 0.00 C ATOM 0 H THR A 44 -7.109 -5.158 5.681 1.00 0.00 H new ATOM 0 HA THR A 44 -5.450 -2.763 6.068 1.00 0.00 H new ATOM 0 HB THR A 44 -3.755 -4.255 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.606 -6.253 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.834 -4.281 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.145 -2.759 8.514 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.413 -4.003 8.611 1.00 0.00 H new ATOM 642 N VAL A 45 -3.635 -3.755 4.481 1.00 0.00 N ATOM 643 CA VAL A 45 -2.859 -4.108 3.303 1.00 0.00 C ATOM 644 C VAL A 45 -1.430 -4.477 3.686 1.00 0.00 C ATOM 645 O VAL A 45 -0.746 -3.707 4.364 1.00 0.00 O ATOM 646 CB VAL A 45 -2.818 -2.944 2.285 1.00 0.00 C ATOM 647 CG1 VAL A 45 -2.058 -3.346 1.028 1.00 0.00 C ATOM 648 CG2 VAL A 45 -4.223 -2.479 1.936 1.00 0.00 C ATOM 0 H VAL A 45 -3.201 -3.048 5.074 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.349 -4.966 2.844 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.289 -2.112 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.044 -2.510 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.035 -3.616 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.550 -4.200 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.168 -1.660 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.782 -3.307 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.728 -2.137 2.839 1.00 0.00 H new ATOM 658 N GLU A 46 -0.990 -5.657 3.268 1.00 0.00 N ATOM 659 CA GLU A 46 0.403 -6.054 3.446 1.00 0.00 C ATOM 660 C GLU A 46 1.199 -5.680 2.207 1.00 0.00 C ATOM 661 O GLU A 46 0.784 -5.981 1.087 1.00 0.00 O ATOM 662 CB GLU A 46 0.529 -7.556 3.688 1.00 0.00 C ATOM 663 CG GLU A 46 -0.187 -8.051 4.929 1.00 0.00 C ATOM 664 CD GLU A 46 0.284 -9.428 5.336 1.00 0.00 C ATOM 665 OE1 GLU A 46 0.072 -10.386 4.565 1.00 0.00 O ATOM 666 OE2 GLU A 46 0.888 -9.553 6.418 1.00 0.00 O ATOM 0 H GLU A 46 -1.574 -6.354 2.805 1.00 0.00 H new ATOM 0 HA GLU A 46 0.793 -5.532 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.136 -8.086 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.586 -7.812 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.019 -7.352 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.261 -8.074 4.744 1.00 0.00 H new ATOM 673 N VAL A 47 2.333 -5.024 2.398 1.00 0.00 N ATOM 674 CA VAL A 47 3.135 -4.573 1.270 1.00 0.00 C ATOM 675 C VAL A 47 4.609 -4.906 1.464 1.00 0.00 C ATOM 676 O VAL A 47 5.186 -4.635 2.519 1.00 0.00 O ATOM 677 CB VAL A 47 2.997 -3.050 1.044 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.800 -2.620 -0.169 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.538 -2.650 0.886 1.00 0.00 C ATOM 0 H VAL A 47 2.717 -4.793 3.314 1.00 0.00 H new ATOM 0 HA VAL A 47 2.756 -5.102 0.395 1.00 0.00 H new ATOM 0 HB VAL A 47 3.392 -2.541 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.692 -1.545 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.851 -2.862 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.434 -3.144 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.471 -1.574 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.109 -3.170 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.987 -2.920 1.787 1.00 0.00 H new ATOM 689 N THR A 48 5.204 -5.501 0.440 1.00 0.00 N ATOM 690 CA THR A 48 6.636 -5.732 0.407 1.00 0.00 C ATOM 691 C THR A 48 7.300 -4.647 -0.436 1.00 0.00 C ATOM 692 O THR A 48 7.124 -4.608 -1.654 1.00 0.00 O ATOM 693 CB THR A 48 6.973 -7.115 -0.193 1.00 0.00 C ATOM 694 OG1 THR A 48 6.064 -8.104 0.315 1.00 0.00 O ATOM 695 CG2 THR A 48 8.400 -7.516 0.153 1.00 0.00 C ATOM 0 H THR A 48 4.708 -5.835 -0.386 1.00 0.00 H new ATOM 0 HA THR A 48 7.008 -5.704 1.431 1.00 0.00 H new ATOM 0 HB THR A 48 6.876 -7.051 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.282 -8.978 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.618 -8.493 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.093 -6.778 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.512 -7.565 1.236 1.00 0.00 H new ATOM 703 N ILE A 49 8.036 -3.755 0.209 1.00 0.00 N ATOM 704 CA ILE A 49 8.678 -2.643 -0.488 1.00 0.00 C ATOM 705 C ILE A 49 10.187 -2.749 -0.403 1.00 0.00 C ATOM 706 O ILE A 49 10.726 -3.547 0.360 1.00 0.00 O ATOM 707 CB ILE A 49 8.281 -1.267 0.101 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.687 -1.183 1.578 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.791 -1.018 -0.064 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.664 0.223 2.145 1.00 0.00 C ATOM 0 H ILE A 49 8.206 -3.777 1.215 1.00 0.00 H new ATOM 0 HA ILE A 49 8.338 -2.708 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 49 8.814 -0.491 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.017 -1.811 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.690 -1.593 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.536 -0.046 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.535 -1.033 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.232 -1.796 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.963 0.198 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.356 0.852 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.656 0.631 2.065 1.00 0.00 H new ATOM 722 N ASP A 50 10.859 -1.942 -1.197 1.00 0.00 N ATOM 723 CA ASP A 50 12.284 -1.758 -1.056 1.00 0.00 C ATOM 724 C ASP A 50 12.522 -0.416 -0.389 1.00 0.00 C ATOM 725 O ASP A 50 12.424 0.633 -1.031 1.00 0.00 O ATOM 726 CB ASP A 50 12.985 -1.800 -2.410 1.00 0.00 C ATOM 727 CG ASP A 50 14.475 -2.030 -2.275 1.00 0.00 C ATOM 728 OD1 ASP A 50 15.123 -1.351 -1.445 1.00 0.00 O ATOM 729 OD2 ASP A 50 14.998 -2.913 -2.983 1.00 0.00 O ATOM 0 H ASP A 50 10.436 -1.401 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 50 12.695 -2.566 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.550 -2.593 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.810 -0.862 -2.937 1.00 0.00 H new ATOM 734 N SER A 51 12.816 -0.451 0.900 1.00 0.00 N ATOM 735 CA SER A 51 12.900 0.766 1.696 1.00 0.00 C ATOM 736 C SER A 51 14.215 1.503 1.446 1.00 0.00 C ATOM 737 O SER A 51 14.497 2.522 2.078 1.00 0.00 O ATOM 738 CB SER A 51 12.732 0.431 3.182 1.00 0.00 C ATOM 739 OG SER A 51 12.772 1.599 3.989 1.00 0.00 O ATOM 0 H SER A 51 13.001 -1.309 1.420 1.00 0.00 H new ATOM 0 HA SER A 51 12.092 1.432 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.784 -0.085 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.521 -0.254 3.493 1.00 0.00 H new ATOM 0 HG SER A 51 13.346 2.271 3.564 1.00 0.00 H new ATOM 745 N SER A 52 15.010 0.993 0.517 1.00 0.00 N ATOM 746 CA SER A 52 16.232 1.664 0.117 1.00 0.00 C ATOM 747 C SER A 52 15.993 2.465 -1.158 1.00 0.00 C ATOM 748 O SER A 52 16.877 3.173 -1.642 1.00 0.00 O ATOM 749 CB SER A 52 17.347 0.643 -0.092 1.00 0.00 C ATOM 750 OG SER A 52 17.523 -0.154 1.069 1.00 0.00 O ATOM 0 H SER A 52 14.828 0.117 0.028 1.00 0.00 H new ATOM 0 HA SER A 52 16.536 2.351 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.108 0.006 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.278 1.158 -0.330 1.00 0.00 H new ATOM 0 HG SER A 52 18.241 -0.803 0.914 1.00 0.00 H new ATOM 756 N VAL A 53 14.783 2.353 -1.688 1.00 0.00 N ATOM 757 CA VAL A 53 14.409 3.038 -2.913 1.00 0.00 C ATOM 758 C VAL A 53 13.229 3.966 -2.665 1.00 0.00 C ATOM 759 O VAL A 53 13.350 5.188 -2.774 1.00 0.00 O ATOM 760 CB VAL A 53 14.043 2.028 -4.019 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.627 2.743 -5.302 1.00 0.00 C ATOM 762 CG2 VAL A 53 15.215 1.095 -4.271 1.00 0.00 C ATOM 0 H VAL A 53 14.038 1.787 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 53 15.267 3.625 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 53 13.190 1.438 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.375 2.006 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.759 3.371 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.450 3.363 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.952 0.383 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.082 1.676 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.454 0.555 -3.355 1.00 0.00 H new ATOM 772 N VAL A 54 12.096 3.380 -2.316 1.00 0.00 N ATOM 773 CA VAL A 54 10.889 4.143 -2.067 1.00 0.00 C ATOM 774 C VAL A 54 10.661 4.284 -0.564 1.00 0.00 C ATOM 775 O VAL A 54 11.130 3.459 0.222 1.00 0.00 O ATOM 776 CB VAL A 54 9.659 3.471 -2.725 1.00 0.00 C ATOM 777 CG1 VAL A 54 9.303 2.164 -2.028 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.465 4.416 -2.757 1.00 0.00 C ATOM 0 H VAL A 54 11.989 2.372 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 54 11.015 5.132 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 54 9.926 3.236 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.435 1.717 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.147 1.477 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.071 2.361 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.617 3.915 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.201 4.703 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.721 5.307 -3.330 1.00 0.00 H new ATOM 788 N THR A 55 9.964 5.334 -0.170 1.00 0.00 N ATOM 789 CA THR A 55 9.615 5.531 1.222 1.00 0.00 C ATOM 790 C THR A 55 8.176 5.093 1.432 1.00 0.00 C ATOM 791 O THR A 55 7.427 4.925 0.467 1.00 0.00 O ATOM 792 CB THR A 55 9.755 7.006 1.657 1.00 0.00 C ATOM 793 OG1 THR A 55 8.699 7.789 1.083 1.00 0.00 O ATOM 794 CG2 THR A 55 11.105 7.578 1.242 1.00 0.00 C ATOM 0 H THR A 55 9.628 6.065 -0.798 1.00 0.00 H new ATOM 0 HA THR A 55 10.302 4.939 1.826 1.00 0.00 H new ATOM 0 HB THR A 55 9.688 7.045 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.029 8.246 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.174 8.618 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.904 7.001 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.205 7.525 0.158 1.00 0.00 H new ATOM 802 N LEU A 56 7.781 4.908 2.678 1.00 0.00 N ATOM 803 CA LEU A 56 6.405 4.559 2.968 1.00 0.00 C ATOM 804 C LEU A 56 5.515 5.787 2.815 1.00 0.00 C ATOM 805 O LEU A 56 4.352 5.678 2.432 1.00 0.00 O ATOM 806 CB LEU A 56 6.281 3.940 4.370 1.00 0.00 C ATOM 807 CG LEU A 56 6.734 4.814 5.547 1.00 0.00 C ATOM 808 CD1 LEU A 56 5.591 5.683 6.056 1.00 0.00 C ATOM 809 CD2 LEU A 56 7.285 3.948 6.668 1.00 0.00 C ATOM 0 H LEU A 56 8.385 4.992 3.495 1.00 0.00 H new ATOM 0 HA LEU A 56 6.072 3.806 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.238 3.665 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.860 3.017 4.388 1.00 0.00 H new ATOM 0 HG LEU A 56 7.526 5.474 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.940 6.292 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.243 6.333 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.771 5.047 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.602 4.582 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.511 3.262 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.138 3.377 6.301 1.00 0.00 H new ATOM 821 N LYS A 57 6.089 6.960 3.078 1.00 0.00 N ATOM 822 CA LYS A 57 5.338 8.207 3.045 1.00 0.00 C ATOM 823 C LYS A 57 4.912 8.546 1.619 1.00 0.00 C ATOM 824 O LYS A 57 3.769 8.937 1.396 1.00 0.00 O ATOM 825 CB LYS A 57 6.161 9.347 3.649 1.00 0.00 C ATOM 826 CG LYS A 57 5.316 10.378 4.384 1.00 0.00 C ATOM 827 CD LYS A 57 4.465 11.208 3.437 1.00 0.00 C ATOM 828 CE LYS A 57 3.559 12.166 4.195 1.00 0.00 C ATOM 829 NZ LYS A 57 2.494 11.453 4.955 1.00 0.00 N ATOM 0 H LYS A 57 7.075 7.069 3.317 1.00 0.00 H new ATOM 0 HA LYS A 57 4.438 8.078 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.894 8.930 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.718 9.844 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.669 9.871 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.968 11.038 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.112 11.772 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.860 10.547 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.158 12.761 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.098 12.860 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.786 12.139 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.036 10.753 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.916 10.969 5.773 1.00 0.00 H new ATOM 843 N ASP A 58 5.824 8.388 0.656 1.00 0.00 N ATOM 844 CA ASP A 58 5.500 8.648 -0.750 1.00 0.00 C ATOM 845 C ASP A 58 4.309 7.810 -1.186 1.00 0.00 C ATOM 846 O ASP A 58 3.350 8.322 -1.771 1.00 0.00 O ATOM 847 CB ASP A 58 6.691 8.343 -1.664 1.00 0.00 C ATOM 848 CG ASP A 58 7.735 9.439 -1.663 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.529 10.463 -2.348 1.00 0.00 O ATOM 850 OD2 ASP A 58 8.768 9.284 -0.984 1.00 0.00 O ATOM 0 H ASP A 58 6.784 8.084 0.821 1.00 0.00 H new ATOM 0 HA ASP A 58 5.255 9.707 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.154 7.408 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.331 8.193 -2.682 1.00 0.00 H new ATOM 855 N ILE A 59 4.376 6.523 -0.878 1.00 0.00 N ATOM 856 CA ILE A 59 3.304 5.596 -1.206 1.00 0.00 C ATOM 857 C ILE A 59 1.999 6.037 -0.553 1.00 0.00 C ATOM 858 O ILE A 59 0.988 6.221 -1.228 1.00 0.00 O ATOM 859 CB ILE A 59 3.643 4.168 -0.740 1.00 0.00 C ATOM 860 CG1 ILE A 59 5.007 3.742 -1.281 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.563 3.197 -1.196 1.00 0.00 C ATOM 862 CD1 ILE A 59 5.476 2.408 -0.748 1.00 0.00 C ATOM 0 H ILE A 59 5.168 6.095 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 59 3.190 5.597 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 59 3.685 4.156 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.959 3.693 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.744 4.505 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.814 2.191 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.604 3.493 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.497 3.211 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.450 2.168 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.557 2.458 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.760 1.634 -1.023 1.00 0.00 H new ATOM 874 N VAL A 60 2.046 6.224 0.762 1.00 0.00 N ATOM 875 CA VAL A 60 0.879 6.646 1.531 1.00 0.00 C ATOM 876 C VAL A 60 0.289 7.944 0.979 1.00 0.00 C ATOM 877 O VAL A 60 -0.929 8.072 0.854 1.00 0.00 O ATOM 878 CB VAL A 60 1.232 6.820 3.025 1.00 0.00 C ATOM 879 CG1 VAL A 60 0.113 7.518 3.778 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.525 5.470 3.660 1.00 0.00 C ATOM 0 H VAL A 60 2.888 6.089 1.322 1.00 0.00 H new ATOM 0 HA VAL A 60 0.129 5.860 1.438 1.00 0.00 H new ATOM 0 HB VAL A 60 2.123 7.444 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.392 7.625 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.057 8.504 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.800 6.927 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.772 5.609 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.647 4.830 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.366 5.002 3.149 1.00 0.00 H new ATOM 890 N ALA A 61 1.156 8.888 0.626 1.00 0.00 N ATOM 891 CA ALA A 61 0.721 10.160 0.064 1.00 0.00 C ATOM 892 C ALA A 61 -0.118 9.939 -1.189 1.00 0.00 C ATOM 893 O ALA A 61 -1.161 10.568 -1.369 1.00 0.00 O ATOM 894 CB ALA A 61 1.918 11.045 -0.246 1.00 0.00 C ATOM 0 H ALA A 61 2.167 8.794 0.720 1.00 0.00 H new ATOM 0 HA ALA A 61 0.101 10.665 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.573 11.990 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.476 11.236 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.564 10.544 -0.966 1.00 0.00 H new ATOM 900 N VAL A 62 0.342 9.033 -2.047 1.00 0.00 N ATOM 901 CA VAL A 62 -0.389 8.686 -3.259 1.00 0.00 C ATOM 902 C VAL A 62 -1.705 7.988 -2.916 1.00 0.00 C ATOM 903 O VAL A 62 -2.751 8.296 -3.487 1.00 0.00 O ATOM 904 CB VAL A 62 0.452 7.775 -4.184 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.328 7.401 -5.440 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.761 8.455 -4.554 1.00 0.00 C ATOM 0 H VAL A 62 1.219 8.526 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.601 9.616 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 62 0.677 6.858 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.286 6.760 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.237 6.869 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.592 8.306 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.340 7.800 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.551 9.390 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.331 8.663 -3.649 1.00 0.00 H new ATOM 916 N ILE A 63 -1.649 7.067 -1.961 1.00 0.00 N ATOM 917 CA ILE A 63 -2.827 6.297 -1.567 1.00 0.00 C ATOM 918 C ILE A 63 -3.920 7.197 -0.990 1.00 0.00 C ATOM 919 O ILE A 63 -5.090 7.085 -1.363 1.00 0.00 O ATOM 920 CB ILE A 63 -2.485 5.219 -0.521 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.368 4.310 -1.026 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.721 4.394 -0.199 1.00 0.00 C ATOM 923 CD1 ILE A 63 -0.879 3.334 0.020 1.00 0.00 C ATOM 0 H ILE A 63 -0.801 6.834 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.189 5.817 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.141 5.717 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.724 3.755 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.532 4.924 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.469 3.635 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.499 5.045 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.082 3.910 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.085 2.717 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.494 3.884 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.705 2.697 0.337 1.00 0.00 H new ATOM 935 N GLU A 64 -3.541 8.086 -0.081 1.00 0.00 N ATOM 936 CA GLU A 64 -4.508 8.966 0.559 1.00 0.00 C ATOM 937 C GLU A 64 -5.061 9.977 -0.441 1.00 0.00 C ATOM 938 O GLU A 64 -6.177 10.474 -0.285 1.00 0.00 O ATOM 939 CB GLU A 64 -3.894 9.682 1.760 1.00 0.00 C ATOM 940 CG GLU A 64 -3.360 8.740 2.828 1.00 0.00 C ATOM 941 CD GLU A 64 -3.018 9.463 4.116 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.889 9.987 4.234 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.880 9.518 5.016 1.00 0.00 O ATOM 0 H GLU A 64 -2.578 8.216 0.228 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.331 8.350 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.082 10.322 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.645 10.334 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.103 7.969 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.471 8.234 2.451 1.00 0.00 H new ATOM 950 N ASP A 65 -4.279 10.259 -1.476 1.00 0.00 N ATOM 951 CA ASP A 65 -4.707 11.150 -2.555 1.00 0.00 C ATOM 952 C ASP A 65 -5.845 10.515 -3.358 1.00 0.00 C ATOM 953 O ASP A 65 -6.605 11.204 -4.039 1.00 0.00 O ATOM 954 CB ASP A 65 -3.517 11.477 -3.470 1.00 0.00 C ATOM 955 CG ASP A 65 -3.888 12.356 -4.650 1.00 0.00 C ATOM 956 OD1 ASP A 65 -4.081 13.573 -4.456 1.00 0.00 O ATOM 957 OD2 ASP A 65 -3.974 11.835 -5.779 1.00 0.00 O ATOM 0 H ASP A 65 -3.338 9.882 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.077 12.077 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.744 11.975 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.087 10.547 -3.841 1.00 0.00 H new ATOM 962 N GLN A 66 -5.964 9.193 -3.252 1.00 0.00 N ATOM 963 CA GLN A 66 -7.039 8.452 -3.913 1.00 0.00 C ATOM 964 C GLN A 66 -8.334 8.565 -3.113 1.00 0.00 C ATOM 965 O GLN A 66 -9.402 8.165 -3.577 1.00 0.00 O ATOM 966 CB GLN A 66 -6.669 6.972 -4.051 1.00 0.00 C ATOM 967 CG GLN A 66 -5.391 6.710 -4.831 1.00 0.00 C ATOM 968 CD GLN A 66 -5.534 6.972 -6.316 1.00 0.00 C ATOM 969 OE1 GLN A 66 -6.284 7.849 -6.743 1.00 0.00 O ATOM 970 NE2 GLN A 66 -4.822 6.200 -7.117 1.00 0.00 N ATOM 0 H GLN A 66 -5.326 8.609 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.182 8.884 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.566 6.542 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.491 6.449 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.595 7.339 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.086 5.675 -4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.211 5.484 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.883 6.320 -8.128 1.00 0.00 H new ATOM 979 N GLY A 67 -8.228 9.097 -1.903 1.00 0.00 N ATOM 980 CA GLY A 67 -9.388 9.223 -1.044 1.00 0.00 C ATOM 981 C GLY A 67 -9.353 8.251 0.117 1.00 0.00 C ATOM 982 O GLY A 67 -10.288 8.197 0.917 1.00 0.00 O ATOM 0 H GLY A 67 -7.357 9.444 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.444 10.242 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.291 9.053 -1.630 1.00 0.00 H new ATOM 986 N TYR A 68 -8.274 7.484 0.217 1.00 0.00 N ATOM 987 CA TYR A 68 -8.130 6.525 1.302 1.00 0.00 C ATOM 988 C TYR A 68 -7.418 7.149 2.486 1.00 0.00 C ATOM 989 O TYR A 68 -6.714 8.146 2.345 1.00 0.00 O ATOM 990 CB TYR A 68 -7.352 5.283 0.857 1.00 0.00 C ATOM 991 CG TYR A 68 -8.038 4.465 -0.210 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.018 3.542 0.128 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.700 4.601 -1.549 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.644 2.781 -0.837 1.00 0.00 C ATOM 995 CE2 TYR A 68 -8.323 3.844 -2.522 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.295 2.935 -2.160 1.00 0.00 C ATOM 997 OH TYR A 68 -9.918 2.177 -3.122 1.00 0.00 O ATOM 0 H TYR A 68 -7.491 7.508 -0.436 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.137 6.227 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.375 5.595 0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.176 4.649 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.295 3.418 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.937 5.310 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.405 2.067 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.051 3.963 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.620 1.246 -3.049 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.621 6.564 3.650 1.00 0.00 N ATOM 1008 CA ASP A 69 -6.873 6.934 4.841 1.00 0.00 C ATOM 1009 C ASP A 69 -6.057 5.746 5.301 1.00 0.00 C ATOM 1010 O ASP A 69 -6.596 4.778 5.842 1.00 0.00 O ATOM 1011 CB ASP A 69 -7.805 7.408 5.957 1.00 0.00 C ATOM 1012 CG ASP A 69 -8.308 8.815 5.727 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -9.367 8.978 5.085 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -7.643 9.769 6.186 1.00 0.00 O ATOM 0 H ASP A 69 -8.305 5.822 3.799 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.209 7.763 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.654 6.729 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.278 7.364 6.910 1.00 0.00 H new ATOM 1019 N VAL A 70 -4.761 5.805 5.051 1.00 0.00 N ATOM 1020 CA VAL A 70 -3.895 4.677 5.320 1.00 0.00 C ATOM 1021 C VAL A 70 -2.772 5.050 6.275 1.00 0.00 C ATOM 1022 O VAL A 70 -2.265 6.175 6.264 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.308 4.086 4.021 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -4.421 3.591 3.113 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -2.454 5.103 3.287 1.00 0.00 C ATOM 0 H VAL A 70 -4.288 6.621 4.663 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.513 3.915 5.795 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.672 3.245 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.990 3.177 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.993 2.819 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.079 4.422 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.056 4.655 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.062 5.970 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.630 5.416 3.928 1.00 0.00 H new ATOM 1035 N GLN A 71 -2.398 4.092 7.101 1.00 0.00 N ATOM 1036 CA GLN A 71 -1.367 4.283 8.098 1.00 0.00 C ATOM 1037 C GLN A 71 -0.689 2.953 8.382 1.00 0.00 C ATOM 1038 O GLN A 71 -1.406 1.987 8.722 1.00 0.00 O ATOM 1039 CB GLN A 71 -1.967 4.865 9.382 1.00 0.00 C ATOM 1040 CG GLN A 71 -0.987 4.934 10.542 1.00 0.00 C ATOM 1041 CD GLN A 71 -1.572 5.621 11.758 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -1.429 6.832 11.929 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -2.242 4.860 12.604 1.00 0.00 N ATOM 1044 OXT GLN A 71 0.550 2.874 8.271 1.00 0.00 O ATOM 0 H GLN A 71 -2.804 3.156 7.098 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.627 4.989 7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.341 5.868 9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.824 4.260 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.679 3.924 10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.091 5.467 10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.337 3.860 12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.664 5.272 13.436 1.00 0.00 H new TER 1053 GLN A 71