USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 166:sc= 0.249 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -136:sc= -1.31 (180deg=-3.63!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00388 K(o=-0.0039,f=-2!) USER MOD Single : A 20 GLN : amide:sc= -2.81 K(o=-2.8,f=-5.2!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.7!) USER MOD Single : A 35 TYR OH : rot -82:sc= 0.511 USER MOD Single : A 39 MET CE :methyl 151:sc= -1.11 (180deg=-2.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= -0.251 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.451 6.528 10.503 1.00 0.00 N ATOM 2 CA MET A 1 -19.350 7.856 9.839 1.00 0.00 C ATOM 3 C MET A 1 -17.896 8.318 9.735 1.00 0.00 C ATOM 4 O MET A 1 -17.356 8.915 10.668 1.00 0.00 O ATOM 5 CB MET A 1 -20.168 8.873 10.645 1.00 0.00 C ATOM 6 CG MET A 1 -20.766 9.987 9.798 1.00 0.00 C ATOM 7 SD MET A 1 -19.515 10.992 8.975 1.00 0.00 S ATOM 8 CE MET A 1 -20.218 12.627 9.166 1.00 0.00 C ATOM 0 H1 MET A 1 -20.450 6.243 10.558 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.919 5.823 9.953 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.055 6.589 11.463 1.00 0.00 H new ATOM 0 HA MET A 1 -19.742 7.774 8.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.973 8.350 11.162 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.530 9.314 11.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.426 9.552 9.048 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.381 10.627 10.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.558 13.363 8.706 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.194 12.662 8.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.331 12.853 10.226 1.00 0.00 H new ATOM 20 N VAL A 2 -17.269 8.044 8.591 1.00 0.00 N ATOM 21 CA VAL A 2 -15.879 8.440 8.366 1.00 0.00 C ATOM 22 C VAL A 2 -15.794 9.655 7.441 1.00 0.00 C ATOM 23 O VAL A 2 -16.769 10.011 6.778 1.00 0.00 O ATOM 24 CB VAL A 2 -15.043 7.292 7.761 1.00 0.00 C ATOM 25 CG1 VAL A 2 -14.910 6.143 8.749 1.00 0.00 C ATOM 26 CG2 VAL A 2 -15.650 6.814 6.449 1.00 0.00 C ATOM 0 H VAL A 2 -17.700 7.551 7.809 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.470 8.695 9.343 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.044 7.673 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.317 5.345 8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.417 6.497 9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.900 5.762 9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.044 6.005 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.663 6.454 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.678 7.640 5.739 1.00 0.00 H new ATOM 36 N SER A 3 -14.619 10.284 7.401 1.00 0.00 N ATOM 37 CA SER A 3 -14.397 11.458 6.557 1.00 0.00 C ATOM 38 C SER A 3 -13.194 11.244 5.634 1.00 0.00 C ATOM 39 O SER A 3 -12.245 10.549 5.998 1.00 0.00 O ATOM 40 CB SER A 3 -14.175 12.696 7.432 1.00 0.00 C ATOM 41 OG SER A 3 -15.396 13.157 7.986 1.00 0.00 O ATOM 0 H SER A 3 -13.804 9.999 7.945 1.00 0.00 H new ATOM 0 HA SER A 3 -15.281 11.610 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.476 12.458 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.720 13.488 6.837 1.00 0.00 H new ATOM 0 HG SER A 3 -15.226 13.946 8.541 1.00 0.00 H new ATOM 47 N THR A 4 -13.237 11.839 4.437 1.00 0.00 N ATOM 48 CA THR A 4 -12.142 11.702 3.470 1.00 0.00 C ATOM 49 C THR A 4 -11.880 13.015 2.729 1.00 0.00 C ATOM 50 O THR A 4 -12.756 13.879 2.648 1.00 0.00 O ATOM 51 CB THR A 4 -12.448 10.588 2.458 1.00 0.00 C ATOM 52 OG1 THR A 4 -13.667 10.840 1.783 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.546 9.211 3.084 1.00 0.00 C ATOM 0 H THR A 4 -14.014 12.417 4.116 1.00 0.00 H new ATOM 0 HA THR A 4 -11.245 11.440 4.031 1.00 0.00 H new ATOM 0 HB THR A 4 -11.605 10.594 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.732 10.258 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.764 8.474 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.600 8.962 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.344 9.205 3.826 1.00 0.00 H new ATOM 61 N TYR A 5 -10.665 13.155 2.192 1.00 0.00 N ATOM 62 CA TYR A 5 -10.274 14.354 1.457 1.00 0.00 C ATOM 63 C TYR A 5 -10.245 14.092 -0.052 1.00 0.00 C ATOM 64 O TYR A 5 -10.675 14.935 -0.842 1.00 0.00 O ATOM 65 CB TYR A 5 -8.900 14.834 1.948 1.00 0.00 C ATOM 66 CG TYR A 5 -8.220 15.830 1.033 1.00 0.00 C ATOM 67 CD1 TYR A 5 -7.474 15.401 -0.056 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.319 17.197 1.262 1.00 0.00 C ATOM 69 CE1 TYR A 5 -6.847 16.301 -0.891 1.00 0.00 C ATOM 70 CE2 TYR A 5 -7.694 18.106 0.429 1.00 0.00 C ATOM 71 CZ TYR A 5 -6.959 17.654 -0.647 1.00 0.00 C ATOM 72 OH TYR A 5 -6.335 18.557 -1.478 1.00 0.00 O ATOM 0 H TYR A 5 -9.934 12.447 2.255 1.00 0.00 H new ATOM 0 HA TYR A 5 -11.014 15.133 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.018 15.286 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.249 13.968 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.383 14.343 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.893 17.555 2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.270 15.948 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.781 19.165 0.620 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.516 19.468 -1.166 1.00 0.00 H new ATOM 82 N ASP A 6 -9.728 12.926 -0.444 1.00 0.00 N ATOM 83 CA ASP A 6 -9.635 12.561 -1.859 1.00 0.00 C ATOM 84 C ASP A 6 -9.584 11.043 -2.048 1.00 0.00 C ATOM 85 O ASP A 6 -9.269 10.300 -1.114 1.00 0.00 O ATOM 86 CB ASP A 6 -8.391 13.200 -2.486 1.00 0.00 C ATOM 87 CG ASP A 6 -8.499 13.338 -3.993 1.00 0.00 C ATOM 88 OD1 ASP A 6 -9.098 14.330 -4.457 1.00 0.00 O ATOM 89 OD2 ASP A 6 -7.979 12.455 -4.708 1.00 0.00 O ATOM 0 H ASP A 6 -9.368 12.219 0.197 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.530 12.934 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.232 14.184 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.516 12.597 -2.242 1.00 0.00 H new ATOM 94 N GLU A 7 -9.885 10.592 -3.269 1.00 0.00 N ATOM 95 CA GLU A 7 -9.865 9.166 -3.593 1.00 0.00 C ATOM 96 C GLU A 7 -8.813 8.865 -4.661 1.00 0.00 C ATOM 97 O GLU A 7 -8.870 9.396 -5.772 1.00 0.00 O ATOM 98 CB GLU A 7 -11.249 8.693 -4.061 1.00 0.00 C ATOM 99 CG GLU A 7 -11.865 9.542 -5.167 1.00 0.00 C ATOM 100 CD GLU A 7 -12.851 10.573 -4.644 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.784 10.187 -3.909 1.00 0.00 O ATOM 102 OE2 GLU A 7 -12.689 11.767 -4.974 1.00 0.00 O ATOM 0 H GLU A 7 -10.145 11.196 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.602 8.621 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.168 7.664 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.925 8.686 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.070 10.051 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.372 8.890 -5.878 1.00 0.00 H new ATOM 109 N ILE A 8 -7.852 8.012 -4.309 1.00 0.00 N ATOM 110 CA ILE A 8 -6.774 7.636 -5.221 1.00 0.00 C ATOM 111 C ILE A 8 -6.893 6.171 -5.649 1.00 0.00 C ATOM 112 O ILE A 8 -7.450 5.346 -4.925 1.00 0.00 O ATOM 113 CB ILE A 8 -5.392 7.863 -4.570 1.00 0.00 C ATOM 114 CG1 ILE A 8 -5.318 9.259 -3.940 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.283 7.682 -5.599 1.00 0.00 C ATOM 116 CD1 ILE A 8 -5.679 9.285 -2.469 1.00 0.00 C ATOM 0 H ILE A 8 -7.799 7.566 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.865 8.271 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.256 7.122 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.308 9.650 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.988 9.928 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.316 7.845 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.323 6.670 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.416 8.401 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.604 10.306 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.699 8.925 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.994 8.643 -1.915 1.00 0.00 H new ATOM 128 N GLU A 9 -6.365 5.858 -6.835 1.00 0.00 N ATOM 129 CA GLU A 9 -6.412 4.495 -7.367 1.00 0.00 C ATOM 130 C GLU A 9 -5.062 3.793 -7.220 1.00 0.00 C ATOM 131 O GLU A 9 -4.012 4.439 -7.216 1.00 0.00 O ATOM 132 CB GLU A 9 -6.820 4.515 -8.845 1.00 0.00 C ATOM 133 CG GLU A 9 -8.005 5.422 -9.150 1.00 0.00 C ATOM 134 CD GLU A 9 -8.131 5.747 -10.628 1.00 0.00 C ATOM 135 OE1 GLU A 9 -7.183 6.333 -11.193 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.181 5.417 -11.220 1.00 0.00 O ATOM 0 H GLU A 9 -5.900 6.531 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.153 3.941 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.967 4.837 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.063 3.500 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.922 4.942 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.902 6.349 -8.586 1.00 0.00 H new ATOM 143 N ILE A 10 -5.100 2.462 -7.111 1.00 0.00 N ATOM 144 CA ILE A 10 -3.881 1.661 -6.975 1.00 0.00 C ATOM 145 C ILE A 10 -2.934 1.887 -8.156 1.00 0.00 C ATOM 146 O ILE A 10 -1.713 1.888 -7.989 1.00 0.00 O ATOM 147 CB ILE A 10 -4.203 0.151 -6.845 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.929 -0.647 -6.549 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.880 -0.374 -8.106 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.761 -1.004 -5.087 1.00 0.00 C ATOM 0 H ILE A 10 -5.962 1.917 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.387 1.989 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.894 0.024 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.940 -1.564 -7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.064 -0.068 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.095 -1.436 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.811 0.168 -8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.219 -0.230 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.838 -1.568 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.718 -0.092 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.606 -1.610 -4.761 1.00 0.00 H new ATOM 162 N GLU A 11 -3.503 2.084 -9.348 1.00 0.00 N ATOM 163 CA GLU A 11 -2.707 2.321 -10.552 1.00 0.00 C ATOM 164 C GLU A 11 -1.905 3.619 -10.437 1.00 0.00 C ATOM 165 O GLU A 11 -0.799 3.723 -10.970 1.00 0.00 O ATOM 166 CB GLU A 11 -3.608 2.373 -11.791 1.00 0.00 C ATOM 167 CG GLU A 11 -4.626 3.505 -11.764 1.00 0.00 C ATOM 168 CD GLU A 11 -5.265 3.755 -13.117 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.553 4.213 -14.037 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.479 3.496 -13.257 1.00 0.00 O ATOM 0 H GLU A 11 -4.511 2.084 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.007 1.492 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.984 2.479 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.136 1.424 -11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.404 3.270 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.138 4.418 -11.424 1.00 0.00 H new ATOM 177 N ASP A 12 -2.467 4.608 -9.737 1.00 0.00 N ATOM 178 CA ASP A 12 -1.803 5.897 -9.554 1.00 0.00 C ATOM 179 C ASP A 12 -1.053 5.951 -8.220 1.00 0.00 C ATOM 180 O ASP A 12 -1.006 6.994 -7.565 1.00 0.00 O ATOM 181 CB ASP A 12 -2.828 7.033 -9.631 1.00 0.00 C ATOM 182 CG ASP A 12 -3.108 7.460 -11.058 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.017 6.877 -11.684 1.00 0.00 O ATOM 184 OD2 ASP A 12 -2.415 8.376 -11.551 1.00 0.00 O ATOM 0 H ASP A 12 -3.380 4.539 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.074 6.018 -10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.758 6.713 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.462 7.889 -9.063 1.00 0.00 H new ATOM 189 N MET A 13 -0.460 4.824 -7.826 1.00 0.00 N ATOM 190 CA MET A 13 0.293 4.745 -6.578 1.00 0.00 C ATOM 191 C MET A 13 1.691 4.188 -6.830 1.00 0.00 C ATOM 192 O MET A 13 1.864 3.273 -7.635 1.00 0.00 O ATOM 193 CB MET A 13 -0.452 3.869 -5.568 1.00 0.00 C ATOM 194 CG MET A 13 0.068 3.991 -4.145 1.00 0.00 C ATOM 195 SD MET A 13 -1.248 3.860 -2.917 1.00 0.00 S ATOM 196 CE MET A 13 -0.314 3.966 -1.393 1.00 0.00 C ATOM 0 H MET A 13 -0.488 3.953 -8.355 1.00 0.00 H new ATOM 0 HA MET A 13 0.391 5.750 -6.168 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.509 4.134 -5.582 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.380 2.828 -5.883 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.809 3.212 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.576 4.948 -4.028 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.676 3.214 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.742 3.791 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.439 4.958 -0.958 1.00 0.00 H new ATOM 206 N THR A 14 2.685 4.745 -6.136 1.00 0.00 N ATOM 207 CA THR A 14 4.070 4.303 -6.285 1.00 0.00 C ATOM 208 C THR A 14 4.219 2.837 -5.892 1.00 0.00 C ATOM 209 O THR A 14 3.615 2.380 -4.920 1.00 0.00 O ATOM 210 CB THR A 14 5.014 5.167 -5.438 1.00 0.00 C ATOM 211 OG1 THR A 14 4.771 6.548 -5.658 1.00 0.00 O ATOM 212 CG2 THR A 14 6.480 4.907 -5.720 1.00 0.00 C ATOM 0 H THR A 14 2.555 5.503 -5.466 1.00 0.00 H new ATOM 0 HA THR A 14 4.341 4.413 -7.335 1.00 0.00 H new ATOM 0 HB THR A 14 4.804 4.891 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.383 7.080 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.092 5.550 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.712 3.863 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.692 5.120 -6.768 1.00 0.00 H new ATOM 220 N PHE A 15 5.027 2.109 -6.656 1.00 0.00 N ATOM 221 CA PHE A 15 5.264 0.693 -6.399 1.00 0.00 C ATOM 222 C PHE A 15 6.645 0.478 -5.783 1.00 0.00 C ATOM 223 O PHE A 15 7.633 1.052 -6.242 1.00 0.00 O ATOM 224 CB PHE A 15 5.149 -0.114 -7.701 1.00 0.00 C ATOM 225 CG PHE A 15 3.936 0.223 -8.529 1.00 0.00 C ATOM 226 CD1 PHE A 15 3.900 1.378 -9.296 1.00 0.00 C ATOM 227 CD2 PHE A 15 2.835 -0.617 -8.540 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.787 1.688 -10.055 1.00 0.00 C ATOM 229 CE2 PHE A 15 1.720 -0.312 -9.297 1.00 0.00 C ATOM 230 CZ PHE A 15 1.695 0.842 -10.055 1.00 0.00 C ATOM 0 H PHE A 15 5.531 2.479 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 15 4.507 0.347 -5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.043 0.055 -8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.125 -1.176 -7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.751 2.043 -9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.848 -1.521 -7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.771 2.591 -10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.868 -0.976 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.824 1.083 -10.646 1.00 0.00 H new ATOM 240 N GLU A 16 6.706 -0.356 -4.747 1.00 0.00 N ATOM 241 CA GLU A 16 7.966 -0.655 -4.074 1.00 0.00 C ATOM 242 C GLU A 16 8.305 -2.139 -4.202 1.00 0.00 C ATOM 243 O GLU A 16 7.927 -2.947 -3.350 1.00 0.00 O ATOM 244 CB GLU A 16 7.896 -0.260 -2.596 1.00 0.00 C ATOM 245 CG GLU A 16 9.053 0.618 -2.151 1.00 0.00 C ATOM 246 CD GLU A 16 8.779 2.094 -2.363 1.00 0.00 C ATOM 247 OE1 GLU A 16 8.746 2.533 -3.532 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.598 2.813 -1.359 1.00 0.00 O ATOM 0 H GLU A 16 5.896 -0.837 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 16 8.752 -0.073 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.959 0.266 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.880 -1.163 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.256 0.438 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.951 0.336 -2.701 1.00 0.00 H new ATOM 255 N PRO A 17 9.016 -2.522 -5.282 1.00 0.00 N ATOM 256 CA PRO A 17 9.403 -3.917 -5.532 1.00 0.00 C ATOM 257 C PRO A 17 10.478 -4.410 -4.558 1.00 0.00 C ATOM 258 O PRO A 17 11.604 -4.713 -4.958 1.00 0.00 O ATOM 259 CB PRO A 17 9.941 -3.894 -6.977 1.00 0.00 C ATOM 260 CG PRO A 17 9.553 -2.562 -7.530 1.00 0.00 C ATOM 261 CD PRO A 17 9.493 -1.636 -6.353 1.00 0.00 C ATOM 0 HA PRO A 17 8.566 -4.601 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.023 -4.025 -6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.512 -4.703 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.281 -2.216 -8.264 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.589 -2.614 -8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.468 -1.208 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.812 -0.803 -6.525 1.00 0.00 H new ATOM 269 N GLU A 18 10.121 -4.487 -3.277 1.00 0.00 N ATOM 270 CA GLU A 18 11.050 -4.943 -2.244 1.00 0.00 C ATOM 271 C GLU A 18 10.358 -5.899 -1.271 1.00 0.00 C ATOM 272 O GLU A 18 10.845 -7.004 -1.025 1.00 0.00 O ATOM 273 CB GLU A 18 11.644 -3.748 -1.488 1.00 0.00 C ATOM 274 CG GLU A 18 10.620 -2.692 -1.091 1.00 0.00 C ATOM 275 CD GLU A 18 11.261 -1.385 -0.659 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.023 -0.802 -1.460 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.999 -0.943 0.480 1.00 0.00 O ATOM 0 H GLU A 18 9.195 -4.239 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 18 11.861 -5.482 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.142 -4.112 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.408 -3.282 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.954 -2.504 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.005 -3.076 -0.277 1.00 0.00 H new ATOM 284 N ASN A 19 9.215 -5.471 -0.730 1.00 0.00 N ATOM 285 CA ASN A 19 8.450 -6.289 0.207 1.00 0.00 C ATOM 286 C ASN A 19 6.951 -6.225 -0.102 1.00 0.00 C ATOM 287 O ASN A 19 6.121 -6.309 0.805 1.00 0.00 O ATOM 288 CB ASN A 19 8.703 -5.827 1.645 1.00 0.00 C ATOM 289 CG ASN A 19 10.040 -6.302 2.182 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.392 -7.475 2.051 1.00 0.00 O ATOM 291 ND2 ASN A 19 10.793 -5.394 2.792 1.00 0.00 N ATOM 0 H ASN A 19 8.800 -4.560 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 19 8.781 -7.322 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.665 -4.738 1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.905 -6.198 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.701 -5.658 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.463 -4.433 2.879 1.00 0.00 H new ATOM 298 N GLN A 20 6.610 -6.076 -1.385 1.00 0.00 N ATOM 299 CA GLN A 20 5.212 -5.998 -1.811 1.00 0.00 C ATOM 300 C GLN A 20 4.491 -4.853 -1.092 1.00 0.00 C ATOM 301 O GLN A 20 3.534 -5.076 -0.345 1.00 0.00 O ATOM 302 CB GLN A 20 4.488 -7.328 -1.548 1.00 0.00 C ATOM 303 CG GLN A 20 5.258 -8.563 -2.004 1.00 0.00 C ATOM 304 CD GLN A 20 5.104 -8.843 -3.490 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.904 -7.928 -4.288 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.193 -10.114 -3.869 1.00 0.00 N ATOM 0 H GLN A 20 7.285 -6.007 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 20 5.196 -5.801 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.287 -7.414 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.523 -7.309 -2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.315 -8.432 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.913 -9.429 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.360 -10.843 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.095 -10.361 -4.854 1.00 0.00 H new ATOM 315 N MET A 21 4.961 -3.625 -1.316 1.00 0.00 N ATOM 316 CA MET A 21 4.362 -2.453 -0.686 1.00 0.00 C ATOM 317 C MET A 21 4.162 -1.332 -1.699 1.00 0.00 C ATOM 318 O MET A 21 4.910 -1.218 -2.672 1.00 0.00 O ATOM 319 CB MET A 21 5.232 -1.959 0.476 1.00 0.00 C ATOM 320 CG MET A 21 6.700 -1.786 0.122 1.00 0.00 C ATOM 321 SD MET A 21 7.783 -1.983 1.549 1.00 0.00 S ATOM 322 CE MET A 21 7.913 -0.288 2.112 1.00 0.00 C ATOM 0 H MET A 21 5.751 -3.419 -1.927 1.00 0.00 H new ATOM 0 HA MET A 21 3.387 -2.746 -0.296 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.840 -1.005 0.830 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.149 -2.664 1.303 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.974 -2.514 -0.641 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.852 -0.797 -0.311 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.554 -0.245 2.993 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.342 0.326 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.922 0.088 2.366 1.00 0.00 H new ATOM 332 N PHE A 22 3.143 -0.511 -1.465 1.00 0.00 N ATOM 333 CA PHE A 22 2.835 0.600 -2.357 1.00 0.00 C ATOM 334 C PHE A 22 2.843 1.921 -1.594 1.00 0.00 C ATOM 335 O PHE A 22 2.170 2.060 -0.570 1.00 0.00 O ATOM 336 CB PHE A 22 1.471 0.387 -3.021 1.00 0.00 C ATOM 337 CG PHE A 22 1.412 -0.820 -3.919 1.00 0.00 C ATOM 338 CD1 PHE A 22 1.585 -2.097 -3.403 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.180 -0.677 -5.277 1.00 0.00 C ATOM 340 CE1 PHE A 22 1.526 -3.205 -4.226 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.121 -1.783 -6.104 1.00 0.00 C ATOM 342 CZ PHE A 22 1.294 -3.048 -5.578 1.00 0.00 C ATOM 0 H PHE A 22 2.516 -0.595 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 22 3.602 0.640 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.712 0.288 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.219 1.273 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.768 -2.226 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.044 0.310 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.661 -4.193 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.940 -1.658 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.248 -3.913 -6.223 1.00 0.00 H new ATOM 352 N THR A 23 3.612 2.884 -2.093 1.00 0.00 N ATOM 353 CA THR A 23 3.709 4.193 -1.455 1.00 0.00 C ATOM 354 C THR A 23 3.009 5.264 -2.286 1.00 0.00 C ATOM 355 O THR A 23 2.845 5.118 -3.494 1.00 0.00 O ATOM 356 CB THR A 23 5.176 4.574 -1.237 1.00 0.00 C ATOM 357 OG1 THR A 23 5.893 4.570 -2.464 1.00 0.00 O ATOM 358 CG2 THR A 23 5.893 3.651 -0.274 1.00 0.00 C ATOM 0 H THR A 23 4.177 2.783 -2.936 1.00 0.00 H new ATOM 0 HA THR A 23 3.210 4.131 -0.488 1.00 0.00 H new ATOM 0 HB THR A 23 5.153 5.575 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.826 4.818 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.928 3.974 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.397 3.681 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.871 2.632 -0.662 1.00 0.00 H new ATOM 366 N TYR A 24 2.601 6.344 -1.627 1.00 0.00 N ATOM 367 CA TYR A 24 1.922 7.443 -2.304 1.00 0.00 C ATOM 368 C TYR A 24 2.249 8.771 -1.629 1.00 0.00 C ATOM 369 O TYR A 24 1.772 9.046 -0.529 1.00 0.00 O ATOM 370 CB TYR A 24 0.407 7.221 -2.308 1.00 0.00 C ATOM 371 CG TYR A 24 -0.352 8.222 -3.155 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.298 8.172 -4.543 1.00 0.00 C ATOM 373 CD2 TYR A 24 -1.121 9.220 -2.566 1.00 0.00 C ATOM 374 CE1 TYR A 24 -0.987 9.086 -5.317 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.813 10.136 -3.334 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.743 10.065 -4.709 1.00 0.00 C ATOM 377 OH TYR A 24 -2.430 10.977 -5.480 1.00 0.00 O ATOM 0 H TYR A 24 2.729 6.481 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 24 2.275 7.475 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.197 6.216 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.038 7.272 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.292 7.406 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.178 9.280 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.933 9.033 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.406 10.904 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.914 11.599 -4.898 1.00 0.00 H new ATOM 387 N PRO A 25 3.076 9.614 -2.280 1.00 0.00 N ATOM 388 CA PRO A 25 3.465 10.919 -1.733 1.00 0.00 C ATOM 389 C PRO A 25 2.251 11.770 -1.369 1.00 0.00 C ATOM 390 O PRO A 25 1.667 12.437 -2.224 1.00 0.00 O ATOM 391 CB PRO A 25 4.263 11.567 -2.871 1.00 0.00 C ATOM 392 CG PRO A 25 4.752 10.424 -3.692 1.00 0.00 C ATOM 393 CD PRO A 25 3.694 9.361 -3.594 1.00 0.00 C ATOM 0 HA PRO A 25 4.035 10.823 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.638 12.238 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.092 12.160 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.907 10.726 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.709 10.058 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.967 9.442 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.123 8.361 -3.650 1.00 0.00 H new ATOM 401 N CYS A 26 1.871 11.728 -0.093 1.00 0.00 N ATOM 402 CA CYS A 26 0.721 12.485 0.393 1.00 0.00 C ATOM 403 C CYS A 26 0.956 13.987 0.247 1.00 0.00 C ATOM 404 O CYS A 26 2.057 14.477 0.509 1.00 0.00 O ATOM 405 CB CYS A 26 0.438 12.140 1.859 1.00 0.00 C ATOM 406 SG CYS A 26 -1.068 12.914 2.536 1.00 0.00 S ATOM 0 H CYS A 26 2.344 11.177 0.623 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.144 12.211 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.350 11.058 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.292 12.445 2.463 1.00 0.00 H new ATOM 411 N PRO A 27 -0.082 14.739 -0.172 1.00 0.00 N ATOM 412 CA PRO A 27 0.007 16.193 -0.349 1.00 0.00 C ATOM 413 C PRO A 27 0.534 16.912 0.896 1.00 0.00 C ATOM 414 O PRO A 27 1.069 18.018 0.796 1.00 0.00 O ATOM 415 CB PRO A 27 -1.440 16.627 -0.639 1.00 0.00 C ATOM 416 CG PRO A 27 -2.293 15.443 -0.323 1.00 0.00 C ATOM 417 CD PRO A 27 -1.422 14.234 -0.502 1.00 0.00 C ATOM 0 HA PRO A 27 0.708 16.448 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.720 17.485 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.557 16.926 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.674 15.500 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.158 15.400 -0.985 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.721 13.420 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.469 13.850 -1.521 1.00 0.00 H new ATOM 425 N CYS A 28 0.387 16.281 2.065 1.00 0.00 N ATOM 426 CA CYS A 28 0.856 16.872 3.317 1.00 0.00 C ATOM 427 C CYS A 28 2.365 17.138 3.274 1.00 0.00 C ATOM 428 O CYS A 28 2.861 18.055 3.935 1.00 0.00 O ATOM 429 CB CYS A 28 0.515 15.959 4.500 1.00 0.00 C ATOM 430 SG CYS A 28 1.679 14.578 4.749 1.00 0.00 S ATOM 0 H CYS A 28 -0.051 15.366 2.168 1.00 0.00 H new ATOM 0 HA CYS A 28 0.346 17.827 3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.484 16.560 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.485 15.552 4.352 1.00 0.00 H new ATOM 435 N GLY A 29 3.087 16.329 2.496 1.00 0.00 N ATOM 436 CA GLY A 29 4.527 16.491 2.380 1.00 0.00 C ATOM 437 C GLY A 29 5.311 15.226 2.704 1.00 0.00 C ATOM 438 O GLY A 29 6.543 15.254 2.729 1.00 0.00 O ATOM 0 H GLY A 29 2.698 15.564 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.768 16.808 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.849 17.289 3.048 1.00 0.00 H new ATOM 442 N ASP A 30 4.614 14.114 2.954 1.00 0.00 N ATOM 443 CA ASP A 30 5.280 12.854 3.276 1.00 0.00 C ATOM 444 C ASP A 30 4.934 11.761 2.257 1.00 0.00 C ATOM 445 O ASP A 30 4.431 12.054 1.170 1.00 0.00 O ATOM 446 CB ASP A 30 4.902 12.409 4.691 1.00 0.00 C ATOM 447 CG ASP A 30 6.065 11.773 5.426 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.926 12.520 5.936 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.118 10.526 5.487 1.00 0.00 O ATOM 0 H ASP A 30 3.595 14.063 2.939 1.00 0.00 H new ATOM 0 HA ASP A 30 6.357 13.017 3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.545 13.270 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.077 11.698 4.637 1.00 0.00 H new ATOM 454 N ARG A 31 5.218 10.501 2.607 1.00 0.00 N ATOM 455 CA ARG A 31 4.948 9.372 1.719 1.00 0.00 C ATOM 456 C ARG A 31 4.078 8.318 2.400 1.00 0.00 C ATOM 457 O ARG A 31 4.280 7.993 3.571 1.00 0.00 O ATOM 458 CB ARG A 31 6.263 8.734 1.269 1.00 0.00 C ATOM 459 CG ARG A 31 6.123 7.834 0.052 1.00 0.00 C ATOM 460 CD ARG A 31 6.302 8.610 -1.243 1.00 0.00 C ATOM 461 NE ARG A 31 6.851 7.775 -2.311 1.00 0.00 N ATOM 462 CZ ARG A 31 8.136 7.420 -2.398 1.00 0.00 C ATOM 463 NH1 ARG A 31 9.008 7.809 -1.470 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.549 6.670 -3.413 1.00 0.00 N ATOM 0 H ARG A 31 5.635 10.241 3.501 1.00 0.00 H new ATOM 0 HA ARG A 31 4.407 9.754 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.981 9.523 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.675 8.153 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.863 7.035 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.141 7.361 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.341 9.016 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.964 9.458 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 31 6.213 7.443 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.697 8.382 -0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.987 7.534 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.885 6.366 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.530 6.398 -3.480 1.00 0.00 H new ATOM 478 N PHE A 32 3.119 7.774 1.649 1.00 0.00 N ATOM 479 CA PHE A 32 2.224 6.743 2.168 1.00 0.00 C ATOM 480 C PHE A 32 2.897 5.373 2.122 1.00 0.00 C ATOM 481 O PHE A 32 3.913 5.195 1.448 1.00 0.00 O ATOM 482 CB PHE A 32 0.925 6.702 1.357 1.00 0.00 C ATOM 483 CG PHE A 32 -0.212 7.460 1.986 1.00 0.00 C ATOM 484 CD1 PHE A 32 -0.730 7.073 3.213 1.00 0.00 C ATOM 485 CD2 PHE A 32 -0.767 8.556 1.345 1.00 0.00 C ATOM 486 CE1 PHE A 32 -1.779 7.766 3.787 1.00 0.00 C ATOM 487 CE2 PHE A 32 -1.816 9.252 1.915 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.323 8.857 3.137 1.00 0.00 C ATOM 0 H PHE A 32 2.943 8.032 0.678 1.00 0.00 H new ATOM 0 HA PHE A 32 1.991 6.990 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.115 7.110 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.625 5.663 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.309 6.221 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.375 8.870 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.173 7.455 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.239 10.105 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.143 9.400 3.584 1.00 0.00 H new ATOM 498 N GLN A 33 2.323 4.406 2.836 1.00 0.00 N ATOM 499 CA GLN A 33 2.870 3.051 2.869 1.00 0.00 C ATOM 500 C GLN A 33 1.786 2.031 3.213 1.00 0.00 C ATOM 501 O GLN A 33 1.136 2.131 4.255 1.00 0.00 O ATOM 502 CB GLN A 33 4.016 2.963 3.881 1.00 0.00 C ATOM 503 CG GLN A 33 3.670 3.517 5.256 1.00 0.00 C ATOM 504 CD GLN A 33 4.856 4.175 5.936 1.00 0.00 C ATOM 505 OE1 GLN A 33 4.760 5.301 6.422 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.983 3.473 5.974 1.00 0.00 N ATOM 0 H GLN A 33 1.482 4.535 3.398 1.00 0.00 H new ATOM 0 HA GLN A 33 3.256 2.819 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.316 1.920 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.877 3.504 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.863 4.243 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.297 2.709 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.018 2.542 5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.813 3.865 6.419 1.00 0.00 H new ATOM 515 N ILE A 34 1.596 1.050 2.330 1.00 0.00 N ATOM 516 CA ILE A 34 0.589 0.013 2.541 1.00 0.00 C ATOM 517 C ILE A 34 1.010 -1.306 1.889 1.00 0.00 C ATOM 518 O ILE A 34 1.502 -1.322 0.758 1.00 0.00 O ATOM 519 CB ILE A 34 -0.789 0.448 1.990 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.859 -0.598 2.322 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.718 0.688 0.488 1.00 0.00 C ATOM 522 CD1 ILE A 34 -3.226 -0.003 2.576 1.00 0.00 C ATOM 0 H ILE A 34 2.126 0.953 1.464 1.00 0.00 H new ATOM 0 HA ILE A 34 0.504 -0.137 3.617 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.068 1.386 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.928 -1.309 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.546 -1.159 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.698 0.993 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.008 1.474 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.413 -0.231 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.933 -0.800 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.172 0.687 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.560 0.534 1.688 1.00 0.00 H new ATOM 534 N TYR A 35 0.817 -2.408 2.612 1.00 0.00 N ATOM 535 CA TYR A 35 1.178 -3.733 2.112 1.00 0.00 C ATOM 536 C TYR A 35 -0.031 -4.435 1.500 1.00 0.00 C ATOM 537 O TYR A 35 -1.177 -4.124 1.833 1.00 0.00 O ATOM 538 CB TYR A 35 1.755 -4.587 3.247 1.00 0.00 C ATOM 539 CG TYR A 35 3.200 -4.273 3.580 1.00 0.00 C ATOM 540 CD1 TYR A 35 3.579 -3.004 4.005 1.00 0.00 C ATOM 541 CD2 TYR A 35 4.182 -5.250 3.476 1.00 0.00 C ATOM 542 CE1 TYR A 35 4.896 -2.720 4.314 1.00 0.00 C ATOM 543 CE2 TYR A 35 5.500 -4.973 3.786 1.00 0.00 C ATOM 544 CZ TYR A 35 5.852 -3.707 4.203 1.00 0.00 C ATOM 545 OH TYR A 35 7.165 -3.430 4.514 1.00 0.00 O ATOM 0 H TYR A 35 0.412 -2.409 3.548 1.00 0.00 H new ATOM 0 HA TYR A 35 1.933 -3.607 1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.147 -4.444 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.676 -5.639 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.833 -2.229 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.911 -6.242 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.175 -1.729 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.251 -5.745 3.702 1.00 0.00 H new ATOM 0 HH TYR A 35 7.597 -2.992 3.751 1.00 0.00 H new ATOM 555 N LEU A 36 0.233 -5.388 0.606 1.00 0.00 N ATOM 556 CA LEU A 36 -0.832 -6.142 -0.054 1.00 0.00 C ATOM 557 C LEU A 36 -1.630 -6.963 0.956 1.00 0.00 C ATOM 558 O LEU A 36 -2.853 -7.050 0.862 1.00 0.00 O ATOM 559 CB LEU A 36 -0.252 -7.063 -1.133 1.00 0.00 C ATOM 560 CG LEU A 36 0.492 -6.346 -2.261 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.018 -7.347 -3.280 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.420 -5.325 -2.927 1.00 0.00 C ATOM 0 H LEU A 36 1.175 -5.656 0.322 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.504 -5.425 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.430 -7.769 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.064 -7.647 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 36 1.346 -5.820 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.544 -6.816 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.703 -8.039 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.184 -7.904 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.121 -4.822 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.292 -5.831 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.743 -4.590 -2.190 1.00 0.00 H new ATOM 574 N ASP A 37 -0.930 -7.563 1.922 1.00 0.00 N ATOM 575 CA ASP A 37 -1.581 -8.377 2.951 1.00 0.00 C ATOM 576 C ASP A 37 -2.603 -7.562 3.741 1.00 0.00 C ATOM 577 O ASP A 37 -3.648 -8.082 4.134 1.00 0.00 O ATOM 578 CB ASP A 37 -0.541 -8.973 3.908 1.00 0.00 C ATOM 579 CG ASP A 37 -0.899 -10.380 4.351 1.00 0.00 C ATOM 580 OD1 ASP A 37 -1.367 -11.173 3.504 1.00 0.00 O ATOM 581 OD2 ASP A 37 -0.712 -10.689 5.545 1.00 0.00 O ATOM 0 H ASP A 37 0.084 -7.501 2.013 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.105 -9.187 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.433 -8.986 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.449 -8.332 4.785 1.00 0.00 H new ATOM 586 N ASP A 38 -2.297 -6.283 3.971 1.00 0.00 N ATOM 587 CA ASP A 38 -3.195 -5.403 4.714 1.00 0.00 C ATOM 588 C ASP A 38 -4.465 -5.124 3.917 1.00 0.00 C ATOM 589 O ASP A 38 -5.572 -5.409 4.374 1.00 0.00 O ATOM 590 CB ASP A 38 -2.497 -4.079 5.052 1.00 0.00 C ATOM 591 CG ASP A 38 -1.596 -4.187 6.266 1.00 0.00 C ATOM 592 OD1 ASP A 38 -2.122 -4.378 7.383 1.00 0.00 O ATOM 593 OD2 ASP A 38 -0.362 -4.076 6.100 1.00 0.00 O ATOM 0 H ASP A 38 -1.436 -5.837 3.654 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.466 -5.909 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.907 -3.754 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.250 -3.311 5.230 1.00 0.00 H new ATOM 598 N MET A 39 -4.295 -4.562 2.720 1.00 0.00 N ATOM 599 CA MET A 39 -5.426 -4.236 1.853 1.00 0.00 C ATOM 600 C MET A 39 -6.205 -5.491 1.450 1.00 0.00 C ATOM 601 O MET A 39 -7.427 -5.447 1.299 1.00 0.00 O ATOM 602 CB MET A 39 -4.942 -3.481 0.610 1.00 0.00 C ATOM 603 CG MET A 39 -3.937 -4.249 -0.238 1.00 0.00 C ATOM 604 SD MET A 39 -3.462 -3.352 -1.730 1.00 0.00 S ATOM 605 CE MET A 39 -1.970 -2.530 -1.174 1.00 0.00 C ATOM 0 H MET A 39 -3.384 -4.323 2.329 1.00 0.00 H new ATOM 0 HA MET A 39 -6.104 -3.594 2.415 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.805 -3.231 -0.008 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.491 -2.540 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.047 -4.455 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.364 -5.212 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.301 -2.379 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.227 -1.565 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.473 -3.146 -0.424 1.00 0.00 H new ATOM 615 N PHE A 40 -5.491 -6.605 1.285 1.00 0.00 N ATOM 616 CA PHE A 40 -6.113 -7.874 0.907 1.00 0.00 C ATOM 617 C PHE A 40 -7.138 -8.309 1.953 1.00 0.00 C ATOM 618 O PHE A 40 -8.252 -8.708 1.611 1.00 0.00 O ATOM 619 CB PHE A 40 -5.041 -8.956 0.734 1.00 0.00 C ATOM 620 CG PHE A 40 -5.576 -10.290 0.280 1.00 0.00 C ATOM 621 CD1 PHE A 40 -6.453 -10.380 -0.792 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.194 -11.455 0.926 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.938 -11.608 -1.208 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.674 -12.683 0.514 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.547 -12.760 -0.553 1.00 0.00 C ATOM 0 H PHE A 40 -4.480 -6.654 1.408 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.631 -7.733 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.303 -8.608 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -4.520 -9.090 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.760 -9.482 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.512 -11.402 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.621 -11.665 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.367 -13.583 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.924 -13.720 -0.875 1.00 0.00 H new ATOM 635 N GLU A 41 -6.758 -8.220 3.228 1.00 0.00 N ATOM 636 CA GLU A 41 -7.649 -8.596 4.324 1.00 0.00 C ATOM 637 C GLU A 41 -8.944 -7.781 4.277 1.00 0.00 C ATOM 638 O GLU A 41 -10.023 -8.300 4.569 1.00 0.00 O ATOM 639 CB GLU A 41 -6.946 -8.395 5.670 1.00 0.00 C ATOM 640 CG GLU A 41 -7.705 -8.984 6.848 1.00 0.00 C ATOM 641 CD GLU A 41 -7.372 -8.302 8.161 1.00 0.00 C ATOM 642 OE1 GLU A 41 -7.902 -7.198 8.408 1.00 0.00 O ATOM 643 OE2 GLU A 41 -6.584 -8.873 8.944 1.00 0.00 O ATOM 0 H GLU A 41 -5.840 -7.891 3.526 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.904 -9.650 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.955 -8.848 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.801 -7.328 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.776 -8.902 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.476 -10.047 6.927 1.00 0.00 H new ATOM 650 N GLY A 42 -8.828 -6.507 3.900 1.00 0.00 N ATOM 651 CA GLY A 42 -9.994 -5.645 3.814 1.00 0.00 C ATOM 652 C GLY A 42 -9.701 -4.222 4.255 1.00 0.00 C ATOM 653 O GLY A 42 -10.195 -3.775 5.291 1.00 0.00 O ATOM 0 H GLY A 42 -7.946 -6.058 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.359 -5.635 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.792 -6.056 4.432 1.00 0.00 H new ATOM 657 N GLU A 43 -8.894 -3.509 3.468 1.00 0.00 N ATOM 658 CA GLU A 43 -8.533 -2.129 3.788 1.00 0.00 C ATOM 659 C GLU A 43 -8.841 -1.188 2.625 1.00 0.00 C ATOM 660 O GLU A 43 -8.334 -1.370 1.518 1.00 0.00 O ATOM 661 CB GLU A 43 -7.049 -2.039 4.143 1.00 0.00 C ATOM 662 CG GLU A 43 -6.751 -1.061 5.268 1.00 0.00 C ATOM 663 CD GLU A 43 -6.561 -1.741 6.610 1.00 0.00 C ATOM 664 OE1 GLU A 43 -5.849 -2.767 6.664 1.00 0.00 O ATOM 665 OE2 GLU A 43 -7.120 -1.243 7.610 1.00 0.00 O ATOM 0 H GLU A 43 -8.479 -3.864 2.606 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.131 -1.821 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.692 -3.028 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.489 -1.742 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.851 -0.497 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.567 -0.343 5.343 1.00 0.00 H new ATOM 672 N LYS A 44 -9.665 -0.174 2.891 1.00 0.00 N ATOM 673 CA LYS A 44 -10.035 0.810 1.873 1.00 0.00 C ATOM 674 C LYS A 44 -9.585 2.213 2.281 1.00 0.00 C ATOM 675 O LYS A 44 -9.027 2.954 1.469 1.00 0.00 O ATOM 676 CB LYS A 44 -11.548 0.799 1.632 1.00 0.00 C ATOM 677 CG LYS A 44 -12.055 -0.480 0.986 1.00 0.00 C ATOM 678 CD LYS A 44 -13.430 -0.860 1.509 1.00 0.00 C ATOM 679 CE LYS A 44 -13.568 -2.364 1.681 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.913 -2.744 2.198 1.00 0.00 N ATOM 0 H LYS A 44 -10.090 -0.012 3.804 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.529 0.536 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.060 0.942 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.812 1.645 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.099 -0.350 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.353 -1.291 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.605 -0.366 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.194 -0.501 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.395 -2.856 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.801 -2.723 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.966 -3.778 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.069 -2.295 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.644 -2.425 1.531 1.00 0.00 H new ATOM 694 N VAL A 45 -9.827 2.572 3.542 1.00 0.00 N ATOM 695 CA VAL A 45 -9.443 3.886 4.053 1.00 0.00 C ATOM 696 C VAL A 45 -8.205 3.786 4.946 1.00 0.00 C ATOM 697 O VAL A 45 -8.240 3.169 6.012 1.00 0.00 O ATOM 698 CB VAL A 45 -10.599 4.559 4.831 1.00 0.00 C ATOM 699 CG1 VAL A 45 -11.007 3.727 6.042 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.211 5.972 5.248 1.00 0.00 C ATOM 0 H VAL A 45 -10.287 1.972 4.227 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.208 4.507 3.189 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.461 4.621 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.821 4.225 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.338 2.742 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.154 3.618 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.036 6.430 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.330 5.933 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.989 6.565 4.361 1.00 0.00 H new ATOM 710 N ALA A 46 -7.109 4.390 4.492 1.00 0.00 N ATOM 711 CA ALA A 46 -5.854 4.366 5.236 1.00 0.00 C ATOM 712 C ALA A 46 -5.555 5.723 5.870 1.00 0.00 C ATOM 713 O ALA A 46 -5.971 6.764 5.357 1.00 0.00 O ATOM 714 CB ALA A 46 -4.717 3.942 4.318 1.00 0.00 C ATOM 0 H ALA A 46 -7.066 4.902 3.611 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.950 3.641 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.783 3.926 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.920 2.947 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.632 4.649 3.493 1.00 0.00 H new ATOM 720 N VAL A 47 -4.832 5.701 6.990 1.00 0.00 N ATOM 721 CA VAL A 47 -4.475 6.927 7.702 1.00 0.00 C ATOM 722 C VAL A 47 -3.007 7.288 7.486 1.00 0.00 C ATOM 723 O VAL A 47 -2.121 6.453 7.666 1.00 0.00 O ATOM 724 CB VAL A 47 -4.743 6.794 9.218 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.573 8.136 9.917 1.00 0.00 C ATOM 726 CG2 VAL A 47 -6.132 6.226 9.470 1.00 0.00 C ATOM 0 H VAL A 47 -4.482 4.847 7.424 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.102 7.721 7.295 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.011 6.101 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.767 8.018 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.555 8.496 9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.276 8.856 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.301 6.140 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.880 6.889 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.211 5.241 9.011 1.00 0.00 H new ATOM 736 N CYS A 48 -2.760 8.540 7.104 1.00 0.00 N ATOM 737 CA CYS A 48 -1.399 9.021 6.869 1.00 0.00 C ATOM 738 C CYS A 48 -0.622 9.121 8.180 1.00 0.00 C ATOM 739 O CYS A 48 -1.142 9.621 9.178 1.00 0.00 O ATOM 740 CB CYS A 48 -1.432 10.391 6.183 1.00 0.00 C ATOM 741 SG CYS A 48 0.210 11.073 5.781 1.00 0.00 S ATOM 0 H CYS A 48 -3.485 9.241 6.950 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.895 8.305 6.220 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.013 10.310 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.956 11.095 6.830 1.00 0.00 H new ATOM 746 N PRO A 49 0.639 8.649 8.196 1.00 0.00 N ATOM 747 CA PRO A 49 1.481 8.691 9.392 1.00 0.00 C ATOM 748 C PRO A 49 2.194 10.037 9.580 1.00 0.00 C ATOM 749 O PRO A 49 3.180 10.122 10.316 1.00 0.00 O ATOM 750 CB PRO A 49 2.489 7.577 9.126 1.00 0.00 C ATOM 751 CG PRO A 49 2.645 7.548 7.641 1.00 0.00 C ATOM 752 CD PRO A 49 1.340 8.031 7.054 1.00 0.00 C ATOM 0 HA PRO A 49 0.902 8.567 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.440 7.778 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.130 6.620 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.470 8.187 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.874 6.540 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.506 8.750 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.764 7.208 6.631 1.00 0.00 H new ATOM 760 N SER A 50 1.692 11.084 8.920 1.00 0.00 N ATOM 761 CA SER A 50 2.281 12.415 9.025 1.00 0.00 C ATOM 762 C SER A 50 1.213 13.455 9.360 1.00 0.00 C ATOM 763 O SER A 50 1.298 14.127 10.389 1.00 0.00 O ATOM 764 CB SER A 50 2.997 12.787 7.724 1.00 0.00 C ATOM 765 OG SER A 50 4.354 12.375 7.755 1.00 0.00 O ATOM 0 H SER A 50 0.878 11.032 8.307 1.00 0.00 H new ATOM 0 HA SER A 50 3.012 12.402 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.491 12.320 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.944 13.865 7.571 1.00 0.00 H new ATOM 0 HG SER A 50 4.929 13.124 7.494 1.00 0.00 H new ATOM 771 N CYS A 51 0.206 13.582 8.493 1.00 0.00 N ATOM 772 CA CYS A 51 -0.876 14.545 8.716 1.00 0.00 C ATOM 773 C CYS A 51 -2.141 13.864 9.256 1.00 0.00 C ATOM 774 O CYS A 51 -3.052 14.537 9.744 1.00 0.00 O ATOM 775 CB CYS A 51 -1.198 15.305 7.423 1.00 0.00 C ATOM 776 SG CYS A 51 -1.985 14.296 6.125 1.00 0.00 S ATOM 0 H CYS A 51 0.117 13.035 7.637 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.530 15.253 9.469 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.855 16.141 7.663 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.275 15.728 7.026 1.00 0.00 H new ATOM 781 N SER A 52 -2.193 12.531 9.167 1.00 0.00 N ATOM 782 CA SER A 52 -3.343 11.766 9.645 1.00 0.00 C ATOM 783 C SER A 52 -4.594 12.070 8.813 1.00 0.00 C ATOM 784 O SER A 52 -5.713 12.071 9.331 1.00 0.00 O ATOM 785 CB SER A 52 -3.602 12.064 11.126 1.00 0.00 C ATOM 786 OG SER A 52 -4.105 10.921 11.797 1.00 0.00 O ATOM 0 H SER A 52 -1.448 11.961 8.767 1.00 0.00 H new ATOM 0 HA SER A 52 -3.114 10.706 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.677 12.391 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.314 12.885 11.216 1.00 0.00 H new ATOM 0 HG SER A 52 -4.260 11.137 12.740 1.00 0.00 H new ATOM 792 N LEU A 53 -4.396 12.322 7.519 1.00 0.00 N ATOM 793 CA LEU A 53 -5.501 12.621 6.614 1.00 0.00 C ATOM 794 C LEU A 53 -6.104 11.334 6.054 1.00 0.00 C ATOM 795 O LEU A 53 -5.380 10.441 5.612 1.00 0.00 O ATOM 796 CB LEU A 53 -5.018 13.525 5.474 1.00 0.00 C ATOM 797 CG LEU A 53 -6.079 13.899 4.436 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.993 14.991 4.972 1.00 0.00 C ATOM 799 CD2 LEU A 53 -5.414 14.341 3.140 1.00 0.00 C ATOM 0 H LEU A 53 -3.478 12.324 7.075 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.276 13.144 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.618 14.442 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.194 13.027 4.963 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.689 13.019 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.740 15.242 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.492 14.637 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.403 15.877 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.179 14.604 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.782 15.208 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.804 13.527 2.748 1.00 0.00 H new ATOM 811 N MET A 54 -7.435 11.246 6.078 1.00 0.00 N ATOM 812 CA MET A 54 -8.135 10.067 5.572 1.00 0.00 C ATOM 813 C MET A 54 -8.297 10.145 4.055 1.00 0.00 C ATOM 814 O MET A 54 -8.747 11.161 3.522 1.00 0.00 O ATOM 815 CB MET A 54 -9.508 9.930 6.239 1.00 0.00 C ATOM 816 CG MET A 54 -9.487 9.147 7.544 1.00 0.00 C ATOM 817 SD MET A 54 -11.116 8.522 8.001 1.00 0.00 S ATOM 818 CE MET A 54 -10.854 8.097 9.721 1.00 0.00 C ATOM 0 H MET A 54 -8.048 11.976 6.442 1.00 0.00 H new ATOM 0 HA MET A 54 -7.537 9.188 5.814 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.908 10.926 6.431 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.191 9.440 5.544 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.794 8.311 7.451 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.110 9.787 8.342 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.776 7.696 10.141 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.066 7.348 9.795 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.560 8.988 10.275 1.00 0.00 H new ATOM 828 N ILE A 55 -7.918 9.067 3.366 1.00 0.00 N ATOM 829 CA ILE A 55 -8.009 9.013 1.907 1.00 0.00 C ATOM 830 C ILE A 55 -8.579 7.679 1.422 1.00 0.00 C ATOM 831 O ILE A 55 -8.288 6.624 1.991 1.00 0.00 O ATOM 832 CB ILE A 55 -6.627 9.226 1.251 1.00 0.00 C ATOM 833 CG1 ILE A 55 -5.618 8.201 1.785 1.00 0.00 C ATOM 834 CG2 ILE A 55 -6.130 10.647 1.491 1.00 0.00 C ATOM 835 CD1 ILE A 55 -4.652 7.693 0.736 1.00 0.00 C ATOM 0 H ILE A 55 -7.545 8.220 3.795 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.683 9.817 1.612 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.730 9.080 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.051 8.653 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.161 7.355 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.155 10.776 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.837 11.357 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.042 10.826 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.970 6.973 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.208 7.211 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.081 8.529 0.332 1.00 0.00 H new ATOM 847 N ASP A 56 -9.381 7.735 0.358 1.00 0.00 N ATOM 848 CA ASP A 56 -9.987 6.536 -0.219 1.00 0.00 C ATOM 849 C ASP A 56 -9.098 5.953 -1.319 1.00 0.00 C ATOM 850 O ASP A 56 -9.110 6.436 -2.453 1.00 0.00 O ATOM 851 CB ASP A 56 -11.372 6.862 -0.790 1.00 0.00 C ATOM 852 CG ASP A 56 -12.291 7.512 0.230 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.694 6.823 1.193 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.610 8.709 0.065 1.00 0.00 O ATOM 0 H ASP A 56 -9.626 8.601 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.092 5.795 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.260 7.527 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.834 5.945 -1.156 1.00 0.00 H new ATOM 859 N VAL A 57 -8.334 4.912 -0.986 1.00 0.00 N ATOM 860 CA VAL A 57 -7.450 4.272 -1.960 1.00 0.00 C ATOM 861 C VAL A 57 -8.023 2.931 -2.419 1.00 0.00 C ATOM 862 O VAL A 57 -8.083 1.967 -1.651 1.00 0.00 O ATOM 863 CB VAL A 57 -6.020 4.077 -1.404 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.020 3.184 -0.172 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.102 3.513 -2.480 1.00 0.00 C ATOM 0 H VAL A 57 -8.309 4.496 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.385 4.941 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.642 5.054 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.000 3.068 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.634 3.637 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.426 2.206 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.100 3.382 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.485 2.550 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.063 4.203 -3.323 1.00 0.00 H new ATOM 875 N VAL A 58 -8.453 2.881 -3.677 1.00 0.00 N ATOM 876 CA VAL A 58 -9.033 1.667 -4.240 1.00 0.00 C ATOM 877 C VAL A 58 -7.950 0.695 -4.704 1.00 0.00 C ATOM 878 O VAL A 58 -6.948 1.098 -5.298 1.00 0.00 O ATOM 879 CB VAL A 58 -9.989 1.988 -5.411 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.246 2.663 -6.557 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.697 0.726 -5.888 1.00 0.00 C ATOM 0 H VAL A 58 -8.410 3.667 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.608 1.192 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.744 2.686 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.943 2.877 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.802 3.594 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.460 2.001 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.365 0.973 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.958 -0.000 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.275 0.301 -5.067 1.00 0.00 H new ATOM 891 N PHE A 59 -8.163 -0.588 -4.419 1.00 0.00 N ATOM 892 CA PHE A 59 -7.216 -1.635 -4.791 1.00 0.00 C ATOM 893 C PHE A 59 -7.847 -2.626 -5.771 1.00 0.00 C ATOM 894 O PHE A 59 -9.037 -2.537 -6.079 1.00 0.00 O ATOM 895 CB PHE A 59 -6.732 -2.374 -3.537 1.00 0.00 C ATOM 896 CG PHE A 59 -7.840 -3.014 -2.742 1.00 0.00 C ATOM 897 CD1 PHE A 59 -8.379 -4.233 -3.128 1.00 0.00 C ATOM 898 CD2 PHE A 59 -8.345 -2.395 -1.608 1.00 0.00 C ATOM 899 CE1 PHE A 59 -9.396 -4.820 -2.399 1.00 0.00 C ATOM 900 CE2 PHE A 59 -9.363 -2.978 -0.876 1.00 0.00 C ATOM 901 CZ PHE A 59 -9.889 -4.192 -1.271 1.00 0.00 C ATOM 0 H PHE A 59 -8.990 -0.928 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.365 -1.164 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.019 -3.143 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.197 -1.672 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.999 -4.729 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.938 -1.446 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.805 -5.769 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.747 -2.484 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.683 -4.649 -0.700 1.00 0.00 H new ATOM 911 N ASP A 60 -7.040 -3.572 -6.253 1.00 0.00 N ATOM 912 CA ASP A 60 -7.515 -4.581 -7.194 1.00 0.00 C ATOM 913 C ASP A 60 -7.035 -5.974 -6.796 1.00 0.00 C ATOM 914 O ASP A 60 -5.840 -6.189 -6.576 1.00 0.00 O ATOM 915 CB ASP A 60 -7.033 -4.255 -8.609 1.00 0.00 C ATOM 916 CG ASP A 60 -8.036 -4.659 -9.671 1.00 0.00 C ATOM 917 OD1 ASP A 60 -8.336 -5.869 -9.775 1.00 0.00 O ATOM 918 OD2 ASP A 60 -8.521 -3.768 -10.398 1.00 0.00 O ATOM 0 H ASP A 60 -6.054 -3.659 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.605 -4.572 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.838 -3.185 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.088 -4.765 -8.794 1.00 0.00 H new ATOM 923 N LYS A 61 -7.971 -6.919 -6.713 1.00 0.00 N ATOM 924 CA LYS A 61 -7.643 -8.297 -6.352 1.00 0.00 C ATOM 925 C LYS A 61 -6.694 -8.910 -7.377 1.00 0.00 C ATOM 926 O LYS A 61 -5.734 -9.590 -7.015 1.00 0.00 O ATOM 927 CB LYS A 61 -8.915 -9.139 -6.243 1.00 0.00 C ATOM 928 CG LYS A 61 -9.567 -9.075 -4.872 1.00 0.00 C ATOM 929 CD LYS A 61 -10.659 -8.020 -4.823 1.00 0.00 C ATOM 930 CE LYS A 61 -11.820 -8.463 -3.946 1.00 0.00 C ATOM 931 NZ LYS A 61 -12.468 -7.315 -3.252 1.00 0.00 N ATOM 0 H LYS A 61 -8.962 -6.755 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.146 -8.286 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.630 -8.802 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.676 -10.177 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.989 -10.049 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.811 -8.853 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.248 -7.086 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.019 -7.820 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.559 -8.980 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.462 -9.178 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.254 -7.662 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.770 -6.836 -2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.833 -6.644 -3.958 1.00 0.00 H new ATOM 945 N GLU A 62 -6.959 -8.655 -8.659 1.00 0.00 N ATOM 946 CA GLU A 62 -6.111 -9.173 -9.727 1.00 0.00 C ATOM 947 C GLU A 62 -4.710 -8.578 -9.627 1.00 0.00 C ATOM 948 O GLU A 62 -3.716 -9.273 -9.841 1.00 0.00 O ATOM 949 CB GLU A 62 -6.718 -8.866 -11.097 1.00 0.00 C ATOM 950 CG GLU A 62 -7.735 -9.900 -11.549 1.00 0.00 C ATOM 951 CD GLU A 62 -8.370 -9.553 -12.881 1.00 0.00 C ATOM 952 OE1 GLU A 62 -7.761 -9.862 -13.927 1.00 0.00 O ATOM 953 OE2 GLU A 62 -9.477 -8.976 -12.879 1.00 0.00 O ATOM 0 H GLU A 62 -7.750 -8.096 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.043 -10.255 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.196 -7.887 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.919 -8.806 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.249 -10.873 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.514 -9.992 -10.793 1.00 0.00 H new ATOM 960 N ASP A 63 -4.641 -7.289 -9.286 1.00 0.00 N ATOM 961 CA ASP A 63 -3.362 -6.597 -9.140 1.00 0.00 C ATOM 962 C ASP A 63 -2.473 -7.306 -8.123 1.00 0.00 C ATOM 963 O ASP A 63 -1.282 -7.497 -8.357 1.00 0.00 O ATOM 964 CB ASP A 63 -3.578 -5.150 -8.696 1.00 0.00 C ATOM 965 CG ASP A 63 -2.311 -4.323 -8.795 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.455 -4.437 -7.891 1.00 0.00 O ATOM 967 OD2 ASP A 63 -2.174 -3.566 -9.776 1.00 0.00 O ATOM 0 H ASP A 63 -5.457 -6.705 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.870 -6.606 -10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.355 -4.696 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.938 -5.138 -7.667 1.00 0.00 H new ATOM 972 N LEU A 64 -3.065 -7.681 -6.989 1.00 0.00 N ATOM 973 CA LEU A 64 -2.329 -8.361 -5.925 1.00 0.00 C ATOM 974 C LEU A 64 -1.666 -9.642 -6.432 1.00 0.00 C ATOM 975 O LEU A 64 -0.455 -9.812 -6.296 1.00 0.00 O ATOM 976 CB LEU A 64 -3.257 -8.683 -4.749 1.00 0.00 C ATOM 977 CG LEU A 64 -3.235 -7.664 -3.608 1.00 0.00 C ATOM 978 CD1 LEU A 64 -4.299 -6.594 -3.818 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.435 -8.366 -2.274 1.00 0.00 C ATOM 0 H LEU A 64 -4.052 -7.525 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.545 -7.684 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.278 -8.764 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.985 -9.660 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.262 -7.174 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.265 -5.880 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.111 -6.074 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.283 -7.061 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.417 -7.631 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.396 -8.881 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.635 -9.091 -2.121 1.00 0.00 H new ATOM 991 N ALA A 65 -2.463 -10.539 -7.012 1.00 0.00 N ATOM 992 CA ALA A 65 -1.945 -11.804 -7.531 1.00 0.00 C ATOM 993 C ALA A 65 -0.894 -11.575 -8.618 1.00 0.00 C ATOM 994 O ALA A 65 0.174 -12.190 -8.597 1.00 0.00 O ATOM 995 CB ALA A 65 -3.082 -12.663 -8.062 1.00 0.00 C ATOM 0 H ALA A 65 -3.468 -10.413 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.461 -12.329 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.681 -13.601 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.787 -12.871 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.594 -12.133 -8.865 1.00 0.00 H new ATOM 1001 N GLU A 66 -1.202 -10.687 -9.564 1.00 0.00 N ATOM 1002 CA GLU A 66 -0.282 -10.376 -10.657 1.00 0.00 C ATOM 1003 C GLU A 66 1.008 -9.747 -10.123 1.00 0.00 C ATOM 1004 O GLU A 66 2.103 -10.094 -10.564 1.00 0.00 O ATOM 1005 CB GLU A 66 -0.952 -9.440 -11.673 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.120 -10.077 -12.413 1.00 0.00 C ATOM 1007 CD GLU A 66 -1.679 -11.177 -13.360 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.503 -12.324 -12.896 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.510 -10.893 -14.565 1.00 0.00 O ATOM 0 H GLU A 66 -2.081 -10.171 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.024 -11.309 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.304 -8.548 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.208 -9.114 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.824 -10.486 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.651 -9.309 -12.976 1.00 0.00 H new ATOM 1016 N TYR A 67 0.870 -8.830 -9.164 1.00 0.00 N ATOM 1017 CA TYR A 67 2.024 -8.160 -8.563 1.00 0.00 C ATOM 1018 C TYR A 67 2.834 -9.127 -7.695 1.00 0.00 C ATOM 1019 O TYR A 67 4.063 -9.047 -7.650 1.00 0.00 O ATOM 1020 CB TYR A 67 1.563 -6.962 -7.723 1.00 0.00 C ATOM 1021 CG TYR A 67 2.669 -5.991 -7.363 1.00 0.00 C ATOM 1022 CD1 TYR A 67 3.022 -4.959 -8.224 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.348 -6.100 -6.157 1.00 0.00 C ATOM 1024 CE1 TYR A 67 4.024 -4.065 -7.893 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.349 -5.209 -5.818 1.00 0.00 C ATOM 1026 CZ TYR A 67 4.684 -4.194 -6.688 1.00 0.00 C ATOM 1027 OH TYR A 67 5.679 -3.303 -6.351 1.00 0.00 O ATOM 0 H TYR A 67 -0.030 -8.534 -8.787 1.00 0.00 H new ATOM 0 HA TYR A 67 2.666 -7.806 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.788 -6.425 -8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.106 -7.331 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.506 -4.853 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.090 -6.894 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.289 -3.270 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.866 -5.308 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 67 6.040 -3.534 -5.470 1.00 0.00 H new ATOM 1037 N TYR A 68 2.142 -10.037 -7.006 1.00 0.00 N ATOM 1038 CA TYR A 68 2.805 -11.012 -6.141 1.00 0.00 C ATOM 1039 C TYR A 68 3.850 -11.813 -6.917 1.00 0.00 C ATOM 1040 O TYR A 68 5.017 -11.867 -6.524 1.00 0.00 O ATOM 1041 CB TYR A 68 1.781 -11.961 -5.506 1.00 0.00 C ATOM 1042 CG TYR A 68 2.137 -12.387 -4.096 1.00 0.00 C ATOM 1043 CD1 TYR A 68 2.134 -11.471 -3.048 1.00 0.00 C ATOM 1044 CD2 TYR A 68 2.473 -13.705 -3.812 1.00 0.00 C ATOM 1045 CE1 TYR A 68 2.455 -11.859 -1.760 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.796 -14.099 -2.527 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.785 -13.174 -1.505 1.00 0.00 C ATOM 1048 OH TYR A 68 3.105 -13.564 -0.224 1.00 0.00 O ATOM 0 H TYR A 68 1.126 -10.118 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 68 3.311 -10.461 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.806 -11.474 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.685 -12.849 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.877 -10.441 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.482 -14.434 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.447 -11.136 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.056 -15.128 -2.325 1.00 0.00 H new ATOM 0 HH TYR A 68 3.312 -14.522 -0.216 1.00 0.00 H new ATOM 1058 N GLU A 69 3.427 -12.428 -8.019 1.00 0.00 N ATOM 1059 CA GLU A 69 4.331 -13.222 -8.849 1.00 0.00 C ATOM 1060 C GLU A 69 5.339 -12.332 -9.578 1.00 0.00 C ATOM 1061 O GLU A 69 6.493 -12.717 -9.766 1.00 0.00 O ATOM 1062 CB GLU A 69 3.535 -14.049 -9.863 1.00 0.00 C ATOM 1063 CG GLU A 69 4.122 -15.431 -10.116 1.00 0.00 C ATOM 1064 CD GLU A 69 3.062 -16.477 -10.402 1.00 0.00 C ATOM 1065 OE1 GLU A 69 2.620 -16.573 -11.567 1.00 0.00 O ATOM 1066 OE2 GLU A 69 2.676 -17.203 -9.462 1.00 0.00 O ATOM 0 H GLU A 69 2.466 -12.392 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 69 4.882 -13.895 -8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.511 -14.158 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.488 -13.505 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.811 -15.379 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.704 -15.738 -9.247 1.00 0.00 H new ATOM 1073 N GLU A 70 4.893 -11.145 -9.989 1.00 0.00 N ATOM 1074 CA GLU A 70 5.752 -10.200 -10.701 1.00 0.00 C ATOM 1075 C GLU A 70 6.910 -9.717 -9.826 1.00 0.00 C ATOM 1076 O GLU A 70 8.026 -9.532 -10.312 1.00 0.00 O ATOM 1077 CB GLU A 70 4.933 -8.997 -11.178 1.00 0.00 C ATOM 1078 CG GLU A 70 4.345 -9.165 -12.570 1.00 0.00 C ATOM 1079 CD GLU A 70 3.819 -7.862 -13.140 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.637 -7.053 -13.629 1.00 0.00 O ATOM 1081 OE2 GLU A 70 2.589 -7.648 -13.095 1.00 0.00 O ATOM 0 H GLU A 70 3.939 -10.815 -9.840 1.00 0.00 H new ATOM 0 HA GLU A 70 6.172 -10.723 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.123 -8.818 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.567 -8.111 -11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.108 -9.568 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.536 -9.895 -12.533 1.00 0.00 H new ATOM 1088 N ALA A 71 6.638 -9.499 -8.538 1.00 0.00 N ATOM 1089 CA ALA A 71 7.661 -9.022 -7.609 1.00 0.00 C ATOM 1090 C ALA A 71 8.778 -10.050 -7.424 1.00 0.00 C ATOM 1091 O ALA A 71 9.938 -9.779 -7.741 1.00 0.00 O ATOM 1092 CB ALA A 71 7.033 -8.659 -6.269 1.00 0.00 C ATOM 0 H ALA A 71 5.721 -9.645 -8.117 1.00 0.00 H new ATOM 0 HA ALA A 71 8.110 -8.127 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.807 -8.306 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.292 -7.873 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.550 -9.538 -5.844 1.00 0.00 H new ATOM 1098 N GLY A 72 8.424 -11.230 -6.913 1.00 0.00 N ATOM 1099 CA GLY A 72 9.412 -12.278 -6.703 1.00 0.00 C ATOM 1100 C GLY A 72 10.031 -12.236 -5.318 1.00 0.00 C ATOM 1101 O GLY A 72 11.226 -12.494 -5.159 1.00 0.00 O ATOM 0 H GLY A 72 7.473 -11.478 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.942 -13.250 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.200 -12.183 -7.451 1.00 0.00 H new ATOM 1105 N ILE A 73 9.220 -11.912 -4.312 1.00 0.00 N ATOM 1106 CA ILE A 73 9.699 -11.840 -2.937 1.00 0.00 C ATOM 1107 C ILE A 73 9.946 -13.233 -2.365 1.00 0.00 C ATOM 1108 O ILE A 73 9.186 -14.168 -2.628 1.00 0.00 O ATOM 1109 CB ILE A 73 8.713 -11.078 -2.025 1.00 0.00 C ATOM 1110 CG1 ILE A 73 9.309 -10.903 -0.626 1.00 0.00 C ATOM 1111 CG2 ILE A 73 7.372 -11.799 -1.949 1.00 0.00 C ATOM 1112 CD1 ILE A 73 8.685 -9.772 0.160 1.00 0.00 C ATOM 0 H ILE A 73 8.230 -11.696 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 73 10.641 -11.292 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 73 8.542 -10.092 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.187 -11.832 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.380 -10.724 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.696 -11.242 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.940 -11.871 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.520 -12.800 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.156 -9.707 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.830 -8.834 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.618 -9.959 0.282 1.00 0.00 H new ATOM 1124 N HIS A 74 11.014 -13.360 -1.582 1.00 0.00 N ATOM 1125 CA HIS A 74 11.373 -14.635 -0.968 1.00 0.00 C ATOM 1126 C HIS A 74 12.535 -14.464 0.011 1.00 0.00 C ATOM 1127 O HIS A 74 13.683 -14.765 -0.321 1.00 0.00 O ATOM 1128 CB HIS A 74 11.744 -15.660 -2.044 1.00 0.00 C ATOM 1129 CG HIS A 74 11.586 -17.078 -1.596 1.00 0.00 C ATOM 1130 ND1 HIS A 74 12.550 -17.751 -0.874 1.00 0.00 N ATOM 1131 CD2 HIS A 74 10.568 -17.954 -1.769 1.00 0.00 C ATOM 1132 CE1 HIS A 74 12.133 -18.980 -0.628 1.00 0.00 C ATOM 1133 NE2 HIS A 74 10.934 -19.128 -1.159 1.00 0.00 N ATOM 0 H HIS A 74 11.648 -12.593 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 74 10.506 -14.997 -0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.122 -15.494 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.778 -15.497 -2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.641 -17.764 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.681 -19.736 -0.084 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.370 -19.977 -1.122 1.00 0.00 H new ATOM 1142 N PRO A 75 12.250 -13.976 1.237 1.00 0.00 N ATOM 1143 CA PRO A 75 13.276 -13.766 2.268 1.00 0.00 C ATOM 1144 C PRO A 75 14.133 -15.011 2.498 1.00 0.00 C ATOM 1145 O PRO A 75 13.671 -15.991 3.086 1.00 0.00 O ATOM 1146 CB PRO A 75 12.461 -13.438 3.522 1.00 0.00 C ATOM 1147 CG PRO A 75 11.183 -12.875 3.007 1.00 0.00 C ATOM 1148 CD PRO A 75 10.906 -13.592 1.714 1.00 0.00 C ATOM 0 HA PRO A 75 13.981 -12.984 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.286 -14.329 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.982 -12.721 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.373 -13.029 3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.266 -11.800 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.270 -14.464 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.396 -12.947 0.999 1.00 0.00 H new ATOM 1156 N PRO A 76 15.396 -14.994 2.025 1.00 0.00 N ATOM 1157 CA PRO A 76 16.307 -16.132 2.178 1.00 0.00 C ATOM 1158 C PRO A 76 16.726 -16.353 3.632 1.00 0.00 C ATOM 1159 O PRO A 76 16.628 -17.468 4.145 1.00 0.00 O ATOM 1160 CB PRO A 76 17.515 -15.752 1.316 1.00 0.00 C ATOM 1161 CG PRO A 76 17.475 -14.266 1.214 1.00 0.00 C ATOM 1162 CD PRO A 76 16.025 -13.870 1.302 1.00 0.00 C ATOM 0 HA PRO A 76 15.838 -17.068 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.445 -16.090 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.456 -16.215 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 76 18.052 -13.806 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 76 17.913 -13.930 0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.899 -12.929 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.586 -13.735 0.313 1.00 0.00 H new ATOM 1170 N GLU A 77 17.188 -15.284 4.288 1.00 0.00 N ATOM 1171 CA GLU A 77 17.620 -15.356 5.684 1.00 0.00 C ATOM 1172 C GLU A 77 17.936 -13.961 6.228 1.00 0.00 C ATOM 1173 O GLU A 77 18.342 -13.072 5.475 1.00 0.00 O ATOM 1174 CB GLU A 77 18.848 -16.264 5.821 1.00 0.00 C ATOM 1175 CG GLU A 77 18.519 -17.654 6.349 1.00 0.00 C ATOM 1176 CD GLU A 77 19.536 -18.163 7.354 1.00 0.00 C ATOM 1177 OE1 GLU A 77 19.770 -17.472 8.369 1.00 0.00 O ATOM 1178 OE2 GLU A 77 20.095 -19.257 7.127 1.00 0.00 O ATOM 0 H GLU A 77 17.272 -14.357 3.872 1.00 0.00 H new ATOM 0 HA GLU A 77 16.803 -15.779 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.331 -16.358 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 19.567 -15.791 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.534 -17.636 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.463 -18.351 5.512 1.00 0.00 H new ATOM 1185 N PRO A 78 17.752 -13.749 7.547 1.00 0.00 N ATOM 1186 CA PRO A 78 18.017 -12.454 8.188 1.00 0.00 C ATOM 1187 C PRO A 78 19.511 -12.164 8.327 1.00 0.00 C ATOM 1188 O PRO A 78 20.350 -12.976 7.932 1.00 0.00 O ATOM 1189 CB PRO A 78 17.372 -12.609 9.567 1.00 0.00 C ATOM 1190 CG PRO A 78 17.440 -14.070 9.847 1.00 0.00 C ATOM 1191 CD PRO A 78 17.267 -14.753 8.517 1.00 0.00 C ATOM 0 HA PRO A 78 17.623 -11.622 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.908 -12.034 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.342 -12.252 9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.394 -14.337 10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.659 -14.371 10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.844 -15.676 8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.225 -15.017 8.334 1.00 0.00 H new ATOM 1199 N ILE A 79 19.834 -11.002 8.893 1.00 0.00 N ATOM 1200 CA ILE A 79 21.226 -10.604 9.085 1.00 0.00 C ATOM 1201 C ILE A 79 21.443 -9.986 10.475 1.00 0.00 C ATOM 1202 O ILE A 79 22.192 -9.017 10.626 1.00 0.00 O ATOM 1203 CB ILE A 79 21.678 -9.606 7.990 1.00 0.00 C ATOM 1204 CG1 ILE A 79 21.186 -10.059 6.609 1.00 0.00 C ATOM 1205 CG2 ILE A 79 23.195 -9.464 7.995 1.00 0.00 C ATOM 1206 CD1 ILE A 79 21.502 -9.080 5.496 1.00 0.00 C ATOM 0 H ILE A 79 19.151 -10.321 9.226 1.00 0.00 H new ATOM 0 HA ILE A 79 21.832 -11.506 9.008 1.00 0.00 H new ATOM 0 HB ILE A 79 21.238 -8.633 8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 79 21.636 -11.023 6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 79 20.108 -10.212 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.497 -8.759 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 79 23.523 -9.096 8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.652 -10.434 7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 79 21.123 -9.469 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 79 21.029 -8.121 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 79 22.581 -8.944 5.426 1.00 0.00 H new ATOM 1218 N ALA A 80 20.788 -10.557 11.491 1.00 0.00 N ATOM 1219 CA ALA A 80 20.916 -10.068 12.864 1.00 0.00 C ATOM 1220 C ALA A 80 21.034 -11.233 13.847 1.00 0.00 C ATOM 1221 O ALA A 80 20.470 -12.304 13.617 1.00 0.00 O ATOM 1222 CB ALA A 80 19.732 -9.179 13.226 1.00 0.00 C ATOM 0 H ALA A 80 20.165 -11.358 11.387 1.00 0.00 H new ATOM 0 HA ALA A 80 21.827 -9.474 12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 80 19.843 -8.824 14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 80 19.697 -8.326 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.808 -9.750 13.138 1.00 0.00 H new ATOM 1228 N ALA A 81 21.772 -11.021 14.939 1.00 0.00 N ATOM 1229 CA ALA A 81 21.964 -12.059 15.954 1.00 0.00 C ATOM 1230 C ALA A 81 20.672 -12.326 16.725 1.00 0.00 C ATOM 1231 O ALA A 81 20.066 -13.389 16.582 1.00 0.00 O ATOM 1232 CB ALA A 81 23.088 -11.671 16.908 1.00 0.00 C ATOM 0 H ALA A 81 22.246 -10.141 15.143 1.00 0.00 H new ATOM 0 HA ALA A 81 22.244 -12.980 15.443 1.00 0.00 H new ATOM 0 HB1 ALA A 81 23.217 -12.454 17.656 1.00 0.00 H new ATOM 0 HB2 ALA A 81 24.015 -11.548 16.348 1.00 0.00 H new ATOM 0 HB3 ALA A 81 22.837 -10.733 17.404 1.00 0.00 H new ATOM 1238 N ALA A 82 20.253 -11.357 17.538 1.00 0.00 N ATOM 1239 CA ALA A 82 19.029 -11.491 18.324 1.00 0.00 C ATOM 1240 C ALA A 82 17.935 -10.565 17.794 1.00 0.00 C ATOM 1241 O ALA A 82 16.827 -11.012 17.494 1.00 0.00 O ATOM 1242 CB ALA A 82 19.307 -11.206 19.794 1.00 0.00 C ATOM 0 H ALA A 82 20.743 -10.472 17.669 1.00 0.00 H new ATOM 0 HA ALA A 82 18.676 -12.518 18.231 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.385 -11.310 20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.047 -11.913 20.168 1.00 0.00 H new ATOM 0 HB3 ALA A 82 19.688 -10.191 19.902 1.00 0.00 H new ATOM 1248 N ALA A 83 18.256 -9.276 17.680 1.00 0.00 N ATOM 1249 CA ALA A 83 17.306 -8.285 17.183 1.00 0.00 C ATOM 1250 C ALA A 83 18.029 -7.098 16.550 1.00 0.00 C ATOM 1251 O ALA A 83 17.433 -6.048 16.308 1.00 0.00 O ATOM 1252 CB ALA A 83 16.396 -7.815 18.308 1.00 0.00 C ATOM 0 H ALA A 83 19.169 -8.895 17.926 1.00 0.00 H new ATOM 0 HA ALA A 83 16.697 -8.757 16.412 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.693 -7.076 17.923 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.845 -8.665 18.710 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.997 -7.366 19.099 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -0.290 13.205 4.798 1.00 0.00 ZN