USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 830 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 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 19 SER OG : rot 28:sc= 0.458 USER MOD Single : A 21 MET CE :methyl 170:sc= -0.0136 (180deg=-0.161) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 31 THR OG1 : rot 140:sc= 0.144! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 57 LYS NZ :NH3+ -128:sc= -0.196 (180deg=-0.98) USER MOD Single : A 58 GLN : amide:sc= 0.0999 X(o=0.1,f=0) USER MOD Single : A 59 THR OG1 : rot 77:sc=0.000477 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.83) USER MOD Single : A 69 SER OG : rot 66:sc= 0.952 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.4) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.083) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00935 USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -0.0757 (180deg=-0.363) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0093) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.01) USER MOD Single : A 98 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.56) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HE2:sc= 0.078 X(o=0.078,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.633 22.879 4.381 1.00 0.00 N ATOM 2 CA MET A 1 8.899 21.492 4.816 1.00 0.00 C ATOM 3 C MET A 1 9.333 20.643 3.629 1.00 0.00 C ATOM 4 O MET A 1 8.509 20.220 2.818 1.00 0.00 O ATOM 5 CB MET A 1 7.654 20.889 5.467 1.00 0.00 C ATOM 6 CG MET A 1 7.877 19.490 6.019 1.00 0.00 C ATOM 7 SD MET A 1 6.383 18.778 6.734 1.00 0.00 S ATOM 8 CE MET A 1 7.006 17.202 7.314 1.00 0.00 C ATOM 0 H1 MET A 1 8.338 23.449 5.199 1.00 0.00 H new ATOM 0 H2 MET A 1 9.497 23.286 3.970 1.00 0.00 H new ATOM 0 H3 MET A 1 7.876 22.880 3.667 1.00 0.00 H new ATOM 0 HA MET A 1 9.704 21.507 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.324 21.542 6.275 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.849 20.858 4.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.237 18.842 5.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.658 19.524 6.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.197 16.641 7.783 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.400 16.634 6.471 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.800 17.370 8.041 1.00 0.00 H new ATOM 20 N MET A 2 10.632 20.411 3.519 1.00 0.00 N ATOM 21 CA MET A 2 11.177 19.636 2.416 1.00 0.00 C ATOM 22 C MET A 2 11.456 18.202 2.854 1.00 0.00 C ATOM 23 O MET A 2 11.761 17.942 4.021 1.00 0.00 O ATOM 24 CB MET A 2 12.457 20.292 1.887 1.00 0.00 C ATOM 25 CG MET A 2 13.058 19.578 0.685 1.00 0.00 C ATOM 26 SD MET A 2 11.881 19.387 -0.668 1.00 0.00 S ATOM 27 CE MET A 2 12.864 18.460 -1.844 1.00 0.00 C ATOM 0 H MET A 2 11.329 20.749 4.182 1.00 0.00 H new ATOM 0 HA MET A 2 10.440 19.612 1.613 1.00 0.00 H new ATOM 0 HB2 MET A 2 12.239 21.325 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 2 13.196 20.323 2.687 1.00 0.00 H new ATOM 0 HG2 MET A 2 13.925 20.136 0.331 1.00 0.00 H new ATOM 0 HG3 MET A 2 13.415 18.595 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 2 12.272 18.263 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 2 13.748 19.037 -2.114 1.00 0.00 H new ATOM 0 HE3 MET A 2 13.171 17.515 -1.397 1.00 0.00 H new ATOM 37 N PHE A 3 11.339 17.278 1.915 1.00 0.00 N ATOM 38 CA PHE A 3 11.570 15.869 2.188 1.00 0.00 C ATOM 39 C PHE A 3 12.895 15.426 1.581 1.00 0.00 C ATOM 40 O PHE A 3 13.513 16.167 0.813 1.00 0.00 O ATOM 41 CB PHE A 3 10.426 15.021 1.621 1.00 0.00 C ATOM 42 CG PHE A 3 9.076 15.386 2.176 1.00 0.00 C ATOM 43 CD1 PHE A 3 8.641 14.856 3.380 1.00 0.00 C ATOM 44 CD2 PHE A 3 8.250 16.270 1.501 1.00 0.00 C ATOM 45 CE1 PHE A 3 7.405 15.197 3.897 1.00 0.00 C ATOM 46 CE2 PHE A 3 7.012 16.614 2.012 1.00 0.00 C ATOM 47 CZ PHE A 3 6.590 16.078 3.214 1.00 0.00 C ATOM 0 H PHE A 3 11.083 17.481 0.949 1.00 0.00 H new ATOM 0 HA PHE A 3 11.610 15.728 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.406 15.131 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.624 13.970 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.275 14.169 3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.577 16.696 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.077 14.774 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.376 17.300 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.625 16.347 3.618 1.00 0.00 H new ATOM 57 N LEU A 4 13.333 14.225 1.929 1.00 0.00 N ATOM 58 CA LEU A 4 14.571 13.678 1.387 1.00 0.00 C ATOM 59 C LEU A 4 14.336 13.124 -0.011 1.00 0.00 C ATOM 60 O LEU A 4 15.252 13.072 -0.835 1.00 0.00 O ATOM 61 CB LEU A 4 15.129 12.583 2.300 1.00 0.00 C ATOM 62 CG LEU A 4 15.569 13.054 3.688 1.00 0.00 C ATOM 63 CD1 LEU A 4 16.116 11.892 4.501 1.00 0.00 C ATOM 64 CD2 LEU A 4 16.613 14.156 3.573 1.00 0.00 C ATOM 0 H LEU A 4 12.851 13.610 2.584 1.00 0.00 H new ATOM 0 HA LEU A 4 15.303 14.484 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.370 11.810 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.981 12.118 1.804 1.00 0.00 H new ATOM 0 HG LEU A 4 14.696 13.455 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.423 12.249 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.343 11.132 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.975 11.461 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.914 14.478 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 4 17.483 13.778 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 4 16.191 15.002 3.030 1.00 0.00 H new ATOM 76 N ARG A 5 13.102 12.715 -0.272 1.00 0.00 N ATOM 77 CA ARG A 5 12.717 12.225 -1.584 1.00 0.00 C ATOM 78 C ARG A 5 12.219 13.378 -2.443 1.00 0.00 C ATOM 79 O ARG A 5 11.141 13.924 -2.205 1.00 0.00 O ATOM 80 CB ARG A 5 11.631 11.153 -1.468 1.00 0.00 C ATOM 81 CG ARG A 5 12.084 9.895 -0.743 1.00 0.00 C ATOM 82 CD ARG A 5 10.961 8.872 -0.649 1.00 0.00 C ATOM 83 NE ARG A 5 10.500 8.435 -1.967 1.00 0.00 N ATOM 84 CZ ARG A 5 9.253 8.045 -2.231 1.00 0.00 C ATOM 85 NH1 ARG A 5 8.334 8.027 -1.272 1.00 0.00 N ATOM 86 NH2 ARG A 5 8.930 7.655 -3.456 1.00 0.00 N ATOM 0 H ARG A 5 12.347 12.714 0.414 1.00 0.00 H new ATOM 0 HA ARG A 5 13.593 11.777 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.773 11.574 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.292 10.883 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.934 9.457 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.427 10.154 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.306 8.008 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.125 9.302 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 5 11.175 8.428 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.580 8.313 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.382 7.727 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.635 7.654 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.977 7.356 -3.661 1.00 0.00 H new ATOM 100 N LYS A 6 13.019 13.759 -3.422 1.00 0.00 N ATOM 101 CA LYS A 6 12.664 14.848 -4.314 1.00 0.00 C ATOM 102 C LYS A 6 11.754 14.335 -5.422 1.00 0.00 C ATOM 103 O LYS A 6 12.212 13.991 -6.514 1.00 0.00 O ATOM 104 CB LYS A 6 13.932 15.476 -4.905 1.00 0.00 C ATOM 105 CG LYS A 6 13.690 16.764 -5.679 1.00 0.00 C ATOM 106 CD LYS A 6 14.988 17.314 -6.253 1.00 0.00 C ATOM 107 CE LYS A 6 14.776 18.653 -6.943 1.00 0.00 C ATOM 108 NZ LYS A 6 16.039 19.183 -7.524 1.00 0.00 N ATOM 0 H LYS A 6 13.922 13.329 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 6 12.129 15.613 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.634 15.678 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.408 14.752 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.982 16.578 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.237 17.506 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.720 17.429 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.403 16.600 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.032 18.541 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.376 19.371 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.853 20.096 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.741 19.314 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.408 18.510 -8.226 1.00 0.00 H new ATOM 122 N VAL A 7 10.467 14.242 -5.121 1.00 0.00 N ATOM 123 CA VAL A 7 9.496 13.750 -6.081 1.00 0.00 C ATOM 124 C VAL A 7 8.396 14.764 -6.336 1.00 0.00 C ATOM 125 O VAL A 7 7.749 15.251 -5.411 1.00 0.00 O ATOM 126 CB VAL A 7 8.863 12.409 -5.653 1.00 0.00 C ATOM 127 CG1 VAL A 7 9.822 11.263 -5.926 1.00 0.00 C ATOM 128 CG2 VAL A 7 8.458 12.435 -4.184 1.00 0.00 C ATOM 0 H VAL A 7 10.073 14.502 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 7 10.053 13.585 -7.003 1.00 0.00 H new ATOM 0 HB VAL A 7 7.960 12.256 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.363 10.323 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.050 11.225 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.743 11.417 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.015 11.477 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.338 12.616 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.731 13.230 -4.021 1.00 0.00 H new ATOM 138 N GLU A 8 8.220 15.085 -7.602 1.00 0.00 N ATOM 139 CA GLU A 8 7.149 15.954 -8.053 1.00 0.00 C ATOM 140 C GLU A 8 7.074 15.872 -9.567 1.00 0.00 C ATOM 141 O GLU A 8 6.016 15.638 -10.143 1.00 0.00 O ATOM 142 CB GLU A 8 7.384 17.404 -7.598 1.00 0.00 C ATOM 143 CG GLU A 8 6.314 18.383 -8.064 1.00 0.00 C ATOM 144 CD GLU A 8 4.921 18.007 -7.599 1.00 0.00 C ATOM 145 OE1 GLU A 8 4.607 18.216 -6.407 1.00 0.00 O ATOM 146 OE2 GLU A 8 4.132 17.507 -8.426 1.00 0.00 O ATOM 0 H GLU A 8 8.821 14.748 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 8 6.205 15.629 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.434 17.428 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.353 17.738 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.557 19.380 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.326 18.434 -9.153 1.00 0.00 H new ATOM 153 N GLY A 9 8.237 16.033 -10.190 1.00 0.00 N ATOM 154 CA GLY A 9 8.359 15.887 -11.631 1.00 0.00 C ATOM 155 C GLY A 9 7.938 14.513 -12.138 1.00 0.00 C ATOM 156 O GLY A 9 7.137 14.434 -13.067 1.00 0.00 O ATOM 0 H GLY A 9 9.109 16.265 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.750 16.648 -12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.393 16.072 -11.921 1.00 0.00 H new ATOM 160 N PRO A 10 8.486 13.408 -11.571 1.00 0.00 N ATOM 161 CA PRO A 10 8.078 12.043 -11.932 1.00 0.00 C ATOM 162 C PRO A 10 6.564 11.875 -11.979 1.00 0.00 C ATOM 163 O PRO A 10 6.033 11.247 -12.899 1.00 0.00 O ATOM 164 CB PRO A 10 8.657 11.198 -10.800 1.00 0.00 C ATOM 165 CG PRO A 10 9.878 11.935 -10.376 1.00 0.00 C ATOM 166 CD PRO A 10 9.575 13.399 -10.570 1.00 0.00 C ATOM 0 HA PRO A 10 8.428 11.767 -12.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.949 11.096 -9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.899 10.191 -11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.119 11.722 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.740 11.634 -10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.264 13.870 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.449 13.944 -10.926 1.00 0.00 H new ATOM 174 N ARG A 11 5.891 12.423 -10.963 1.00 0.00 N ATOM 175 CA ARG A 11 4.425 12.425 -10.868 1.00 0.00 C ATOM 176 C ARG A 11 3.854 11.041 -10.546 1.00 0.00 C ATOM 177 O ARG A 11 2.827 10.926 -9.872 1.00 0.00 O ATOM 178 CB ARG A 11 3.803 12.967 -12.157 1.00 0.00 C ATOM 179 CG ARG A 11 4.066 14.446 -12.383 1.00 0.00 C ATOM 180 CD ARG A 11 3.495 14.924 -13.704 1.00 0.00 C ATOM 181 NE ARG A 11 3.576 16.374 -13.838 1.00 0.00 N ATOM 182 CZ ARG A 11 2.678 17.102 -14.492 1.00 0.00 C ATOM 183 NH1 ARG A 11 1.684 16.506 -15.137 1.00 0.00 N ATOM 184 NH2 ARG A 11 2.787 18.424 -14.515 1.00 0.00 N ATOM 0 H ARG A 11 6.350 12.882 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 11 4.164 13.082 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.194 12.403 -13.004 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.727 12.798 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.628 15.022 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.140 14.631 -12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.035 14.453 -14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.455 14.609 -13.785 1.00 0.00 H new ATOM 0 HE ARG A 11 4.365 16.855 -13.406 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.609 15.489 -15.131 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.994 17.065 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.560 18.880 -14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.098 18.984 -15.017 1.00 0.00 H new ATOM 198 N SER A 12 4.519 10.001 -11.016 1.00 0.00 N ATOM 199 CA SER A 12 4.054 8.642 -10.820 1.00 0.00 C ATOM 200 C SER A 12 5.162 7.745 -10.281 1.00 0.00 C ATOM 201 O SER A 12 6.334 7.910 -10.626 1.00 0.00 O ATOM 202 CB SER A 12 3.527 8.093 -12.142 1.00 0.00 C ATOM 203 OG SER A 12 4.356 8.487 -13.223 1.00 0.00 O ATOM 0 H SER A 12 5.391 10.075 -11.541 1.00 0.00 H new ATOM 0 HA SER A 12 3.253 8.655 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.478 7.005 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.511 8.451 -12.309 1.00 0.00 H new ATOM 0 HG SER A 12 3.999 8.122 -14.059 1.00 0.00 H new ATOM 209 N VAL A 13 4.778 6.799 -9.434 1.00 0.00 N ATOM 210 CA VAL A 13 5.706 5.824 -8.880 1.00 0.00 C ATOM 211 C VAL A 13 5.550 4.491 -9.594 1.00 0.00 C ATOM 212 O VAL A 13 4.476 4.185 -10.108 1.00 0.00 O ATOM 213 CB VAL A 13 5.469 5.599 -7.370 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.929 6.795 -6.557 1.00 0.00 C ATOM 215 CG2 VAL A 13 3.998 5.306 -7.098 1.00 0.00 C ATOM 0 H VAL A 13 3.816 6.687 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 13 6.711 6.221 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 13 6.061 4.736 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.749 6.606 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.994 6.958 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.375 7.681 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.850 5.150 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.392 6.149 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.699 4.409 -7.640 1.00 0.00 H new ATOM 225 N THR A 14 6.616 3.707 -9.641 1.00 0.00 N ATOM 226 CA THR A 14 6.523 2.365 -10.186 1.00 0.00 C ATOM 227 C THR A 14 6.516 1.352 -9.060 1.00 0.00 C ATOM 228 O THR A 14 7.383 1.374 -8.189 1.00 0.00 O ATOM 229 CB THR A 14 7.680 2.027 -11.143 1.00 0.00 C ATOM 230 OG1 THR A 14 7.826 3.068 -12.119 1.00 0.00 O ATOM 231 CG2 THR A 14 7.421 0.690 -11.843 1.00 0.00 C ATOM 0 H THR A 14 7.544 3.974 -9.312 1.00 0.00 H new ATOM 0 HA THR A 14 5.594 2.324 -10.755 1.00 0.00 H new ATOM 0 HB THR A 14 8.600 1.946 -10.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.565 2.848 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.248 0.466 -12.516 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.335 -0.100 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.495 0.752 -12.414 1.00 0.00 H new ATOM 239 N LEU A 15 5.523 0.486 -9.073 1.00 0.00 N ATOM 240 CA LEU A 15 5.444 -0.592 -8.110 1.00 0.00 C ATOM 241 C LEU A 15 6.483 -1.653 -8.463 1.00 0.00 C ATOM 242 O LEU A 15 6.937 -1.698 -9.605 1.00 0.00 O ATOM 243 CB LEU A 15 4.032 -1.183 -8.114 1.00 0.00 C ATOM 244 CG LEU A 15 2.909 -0.155 -7.957 1.00 0.00 C ATOM 245 CD1 LEU A 15 1.557 -0.842 -7.907 1.00 0.00 C ATOM 246 CD2 LEU A 15 3.131 0.686 -6.709 1.00 0.00 C ATOM 0 H LEU A 15 4.755 0.509 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 15 5.653 -0.217 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.882 -1.725 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.955 -1.911 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 15 2.922 0.505 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.772 -0.094 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.398 -1.399 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.528 -1.527 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.324 1.412 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.145 0.039 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.083 1.210 -6.788 1.00 0.00 H new ATOM 258 N PRO A 16 6.865 -2.524 -7.505 1.00 0.00 N ATOM 259 CA PRO A 16 7.925 -3.524 -7.717 1.00 0.00 C ATOM 260 C PRO A 16 7.722 -4.342 -8.989 1.00 0.00 C ATOM 261 O PRO A 16 8.682 -4.814 -9.600 1.00 0.00 O ATOM 262 CB PRO A 16 7.812 -4.425 -6.487 1.00 0.00 C ATOM 263 CG PRO A 16 7.220 -3.557 -5.432 1.00 0.00 C ATOM 264 CD PRO A 16 6.302 -2.601 -6.142 1.00 0.00 C ATOM 0 HA PRO A 16 8.901 -3.054 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.180 -5.290 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.788 -4.806 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.673 -4.152 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.997 -3.020 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.275 -2.965 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.289 -1.624 -5.658 1.00 0.00 H new ATOM 272 N ASP A 17 6.467 -4.494 -9.377 1.00 0.00 N ATOM 273 CA ASP A 17 6.108 -5.241 -10.573 1.00 0.00 C ATOM 274 C ASP A 17 4.773 -4.749 -11.108 1.00 0.00 C ATOM 275 O ASP A 17 4.101 -5.443 -11.874 1.00 0.00 O ATOM 276 CB ASP A 17 6.012 -6.736 -10.255 1.00 0.00 C ATOM 277 CG ASP A 17 4.933 -7.051 -9.231 1.00 0.00 C ATOM 278 OD1 ASP A 17 5.068 -6.628 -8.063 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.939 -7.717 -9.586 1.00 0.00 O ATOM 0 H ASP A 17 5.670 -4.105 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 17 6.880 -5.086 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.807 -7.286 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.974 -7.086 -9.882 1.00 0.00 H new ATOM 284 N GLY A 18 4.407 -3.528 -10.738 1.00 0.00 N ATOM 285 CA GLY A 18 3.063 -3.066 -11.015 1.00 0.00 C ATOM 286 C GLY A 18 2.993 -1.764 -11.773 1.00 0.00 C ATOM 287 O GLY A 18 2.084 -0.971 -11.544 1.00 0.00 O ATOM 0 H GLY A 18 5.008 -2.858 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.539 -3.833 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.530 -2.951 -10.071 1.00 0.00 H new ATOM 291 N SER A 19 3.945 -1.548 -12.673 1.00 0.00 N ATOM 292 CA SER A 19 3.911 -0.387 -13.565 1.00 0.00 C ATOM 293 C SER A 19 3.900 0.925 -12.763 1.00 0.00 C ATOM 294 O SER A 19 4.253 0.947 -11.579 1.00 0.00 O ATOM 295 CB SER A 19 2.672 -0.480 -14.473 1.00 0.00 C ATOM 296 OG SER A 19 2.702 0.480 -15.519 1.00 0.00 O ATOM 0 H SER A 19 4.751 -2.159 -12.807 1.00 0.00 H new ATOM 0 HA SER A 19 4.810 -0.387 -14.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.612 -1.480 -14.902 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.773 -0.335 -13.874 1.00 0.00 H new ATOM 0 HG SER A 19 3.632 0.696 -15.738 1.00 0.00 H new ATOM 302 N ILE A 20 3.507 2.008 -13.417 1.00 0.00 N ATOM 303 CA ILE A 20 3.461 3.317 -12.786 1.00 0.00 C ATOM 304 C ILE A 20 2.034 3.699 -12.404 1.00 0.00 C ATOM 305 O ILE A 20 1.085 3.422 -13.139 1.00 0.00 O ATOM 306 CB ILE A 20 4.045 4.418 -13.701 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.313 4.450 -15.048 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.537 4.208 -13.907 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.789 5.550 -15.973 1.00 0.00 C ATOM 0 H ILE A 20 3.213 2.004 -14.394 1.00 0.00 H new ATOM 0 HA ILE A 20 4.071 3.245 -11.886 1.00 0.00 H new ATOM 0 HB ILE A 20 3.899 5.381 -13.211 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.442 3.488 -15.545 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.245 4.575 -14.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.929 4.993 -14.554 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.046 4.244 -12.944 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.707 3.237 -14.372 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.226 5.510 -16.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.634 6.518 -15.497 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.850 5.415 -16.184 1.00 0.00 H new ATOM 321 N MET A 21 1.891 4.324 -11.245 1.00 0.00 N ATOM 322 CA MET A 21 0.612 4.871 -10.820 1.00 0.00 C ATOM 323 C MET A 21 0.846 6.234 -10.182 1.00 0.00 C ATOM 324 O MET A 21 1.904 6.475 -9.593 1.00 0.00 O ATOM 325 CB MET A 21 -0.095 3.933 -9.835 1.00 0.00 C ATOM 326 CG MET A 21 -1.593 4.181 -9.743 1.00 0.00 C ATOM 327 SD MET A 21 -2.410 3.148 -8.512 1.00 0.00 S ATOM 328 CE MET A 21 -1.855 3.931 -7.002 1.00 0.00 C ATOM 0 H MET A 21 2.650 4.465 -10.579 1.00 0.00 H new ATOM 0 HA MET A 21 -0.035 4.976 -11.691 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.078 2.900 -10.138 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.348 4.053 -8.846 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.767 5.229 -9.501 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.045 4.000 -10.718 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.410 3.525 -6.156 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.791 3.740 -6.863 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.026 5.006 -7.065 1.00 0.00 H new ATOM 338 N THR A 22 -0.120 7.127 -10.313 1.00 0.00 N ATOM 339 CA THR A 22 0.034 8.491 -9.837 1.00 0.00 C ATOM 340 C THR A 22 -0.611 8.686 -8.471 1.00 0.00 C ATOM 341 O THR A 22 -1.219 7.772 -7.916 1.00 0.00 O ATOM 342 CB THR A 22 -0.588 9.487 -10.830 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.961 9.144 -11.063 1.00 0.00 O ATOM 344 CG2 THR A 22 0.173 9.481 -12.142 1.00 0.00 C ATOM 0 H THR A 22 -1.022 6.931 -10.747 1.00 0.00 H new ATOM 0 HA THR A 22 1.104 8.678 -9.749 1.00 0.00 H new ATOM 0 HB THR A 22 -0.531 10.487 -10.401 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.355 9.781 -11.695 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.283 10.192 -12.830 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.210 9.764 -11.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.140 8.482 -12.577 1.00 0.00 H new ATOM 352 N ARG A 23 -0.485 9.899 -7.949 1.00 0.00 N ATOM 353 CA ARG A 23 -1.061 10.258 -6.660 1.00 0.00 C ATOM 354 C ARG A 23 -2.546 10.593 -6.794 1.00 0.00 C ATOM 355 O ARG A 23 -3.200 10.960 -5.818 1.00 0.00 O ATOM 356 CB ARG A 23 -0.309 11.458 -6.078 1.00 0.00 C ATOM 357 CG ARG A 23 1.139 11.158 -5.723 1.00 0.00 C ATOM 358 CD ARG A 23 1.828 12.360 -5.087 1.00 0.00 C ATOM 359 NE ARG A 23 2.127 13.418 -6.051 1.00 0.00 N ATOM 360 CZ ARG A 23 2.603 14.620 -5.714 1.00 0.00 C ATOM 361 NH1 ARG A 23 2.738 14.961 -4.438 1.00 0.00 N ATOM 362 NH2 ARG A 23 2.919 15.494 -6.661 1.00 0.00 N ATOM 0 H ARG A 23 0.018 10.660 -8.406 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.965 9.403 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.335 12.276 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.829 11.803 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.177 10.312 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.680 10.863 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.192 12.762 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.754 12.034 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 23 1.962 13.227 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.477 14.303 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.102 15.881 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.798 15.247 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.283 16.412 -6.407 1.00 0.00 H new ATOM 376 N ALA A 24 -3.074 10.455 -8.001 1.00 0.00 N ATOM 377 CA ALA A 24 -4.454 10.824 -8.274 1.00 0.00 C ATOM 378 C ALA A 24 -5.380 9.613 -8.253 1.00 0.00 C ATOM 379 O ALA A 24 -6.583 9.752 -8.029 1.00 0.00 O ATOM 380 CB ALA A 24 -4.545 11.534 -9.612 1.00 0.00 C ATOM 0 H ALA A 24 -2.567 10.090 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.781 11.499 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.582 11.807 -9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.931 12.434 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.188 10.871 -10.400 1.00 0.00 H new ATOM 386 N ASP A 25 -4.824 8.427 -8.478 1.00 0.00 N ATOM 387 CA ASP A 25 -5.632 7.207 -8.556 1.00 0.00 C ATOM 388 C ASP A 25 -5.731 6.524 -7.192 1.00 0.00 C ATOM 389 O ASP A 25 -6.252 5.419 -7.065 1.00 0.00 O ATOM 390 CB ASP A 25 -5.045 6.255 -9.603 1.00 0.00 C ATOM 391 CG ASP A 25 -5.945 5.067 -9.894 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.110 5.277 -10.297 1.00 0.00 O ATOM 393 OD2 ASP A 25 -5.496 3.917 -9.725 1.00 0.00 O ATOM 0 H ASP A 25 -3.823 8.281 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.642 7.481 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.868 6.805 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.077 5.894 -9.256 1.00 0.00 H new ATOM 398 N LEU A 26 -5.242 7.203 -6.168 1.00 0.00 N ATOM 399 CA LEU A 26 -5.295 6.681 -4.811 1.00 0.00 C ATOM 400 C LEU A 26 -6.716 6.759 -4.257 1.00 0.00 C ATOM 401 O LEU A 26 -7.316 7.833 -4.238 1.00 0.00 O ATOM 402 CB LEU A 26 -4.347 7.470 -3.902 1.00 0.00 C ATOM 403 CG LEU A 26 -2.861 7.357 -4.245 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.038 8.298 -3.376 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.386 5.923 -4.075 1.00 0.00 C ATOM 0 H LEU A 26 -4.802 8.120 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.984 5.637 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.631 8.522 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.492 7.133 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.725 7.646 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.983 8.203 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.362 9.325 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.179 8.040 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.326 5.859 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.537 5.610 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.954 5.271 -4.738 1.00 0.00 H new ATOM 417 N PRO A 27 -7.281 5.616 -3.826 1.00 0.00 N ATOM 418 CA PRO A 27 -8.576 5.584 -3.142 1.00 0.00 C ATOM 419 C PRO A 27 -8.534 6.401 -1.856 1.00 0.00 C ATOM 420 O PRO A 27 -7.858 6.022 -0.899 1.00 0.00 O ATOM 421 CB PRO A 27 -8.781 4.103 -2.818 1.00 0.00 C ATOM 422 CG PRO A 27 -7.894 3.369 -3.755 1.00 0.00 C ATOM 423 CD PRO A 27 -6.708 4.267 -3.984 1.00 0.00 C ATOM 0 HA PRO A 27 -9.377 6.007 -3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.522 3.888 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.823 3.812 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.585 2.413 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.408 3.153 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.913 4.079 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.279 4.124 -4.976 1.00 0.00 H new ATOM 431 N PRO A 28 -9.253 7.534 -1.816 1.00 0.00 N ATOM 432 CA PRO A 28 -9.223 8.468 -0.684 1.00 0.00 C ATOM 433 C PRO A 28 -10.015 7.960 0.520 1.00 0.00 C ATOM 434 O PRO A 28 -10.838 8.689 1.075 1.00 0.00 O ATOM 435 CB PRO A 28 -9.874 9.746 -1.247 1.00 0.00 C ATOM 436 CG PRO A 28 -10.088 9.495 -2.707 1.00 0.00 C ATOM 437 CD PRO A 28 -10.152 8.006 -2.871 1.00 0.00 C ATOM 0 HA PRO A 28 -8.208 8.615 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.819 9.956 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.231 10.612 -1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.009 9.964 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.275 9.917 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.165 7.626 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.818 7.692 -3.860 1.00 0.00 H new ATOM 445 N ALA A 29 -9.756 6.708 0.909 1.00 0.00 N ATOM 446 CA ALA A 29 -10.419 6.050 2.041 1.00 0.00 C ATOM 447 C ALA A 29 -11.877 5.712 1.726 1.00 0.00 C ATOM 448 O ALA A 29 -12.342 4.608 2.010 1.00 0.00 O ATOM 449 CB ALA A 29 -10.325 6.887 3.311 1.00 0.00 C ATOM 0 H ALA A 29 -9.071 6.114 0.441 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.889 5.114 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.827 6.367 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.277 7.041 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.804 7.852 3.147 1.00 0.00 H new ATOM 455 N ASN A 30 -12.593 6.666 1.150 1.00 0.00 N ATOM 456 CA ASN A 30 -13.984 6.460 0.775 1.00 0.00 C ATOM 457 C ASN A 30 -14.078 5.517 -0.416 1.00 0.00 C ATOM 458 O ASN A 30 -14.435 4.349 -0.260 1.00 0.00 O ATOM 459 CB ASN A 30 -14.658 7.795 0.445 1.00 0.00 C ATOM 460 CG ASN A 30 -14.532 8.802 1.571 1.00 0.00 C ATOM 461 OD1 ASN A 30 -13.579 9.572 1.623 1.00 0.00 O ATOM 462 ND2 ASN A 30 -15.489 8.800 2.482 1.00 0.00 N ATOM 0 H ASN A 30 -12.232 7.594 0.931 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.503 6.010 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.213 8.209 -0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.713 7.623 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.451 9.455 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.266 8.144 2.404 1.00 0.00 H new ATOM 469 N THR A 31 -13.727 6.024 -1.605 1.00 0.00 N ATOM 470 CA THR A 31 -13.800 5.237 -2.836 1.00 0.00 C ATOM 471 C THR A 31 -15.252 4.793 -3.082 1.00 0.00 C ATOM 472 O THR A 31 -16.173 5.273 -2.413 1.00 0.00 O ATOM 473 CB THR A 31 -12.861 4.016 -2.736 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.670 4.407 -2.049 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.486 3.478 -4.112 1.00 0.00 C ATOM 0 H THR A 31 -13.390 6.977 -1.737 1.00 0.00 H new ATOM 0 HA THR A 31 -13.477 5.849 -3.679 1.00 0.00 H new ATOM 0 HB THR A 31 -13.383 3.226 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.394 3.691 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.824 2.619 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.389 3.173 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.977 4.256 -4.680 1.00 0.00 H new ATOM 483 N ARG A 32 -15.478 3.917 -4.048 1.00 0.00 N ATOM 484 CA ARG A 32 -16.806 3.361 -4.260 1.00 0.00 C ATOM 485 C ARG A 32 -16.771 1.854 -4.059 1.00 0.00 C ATOM 486 O ARG A 32 -17.233 1.340 -3.041 1.00 0.00 O ATOM 487 CB ARG A 32 -17.338 3.695 -5.655 1.00 0.00 C ATOM 488 CG ARG A 32 -17.409 5.185 -5.945 1.00 0.00 C ATOM 489 CD ARG A 32 -18.141 5.461 -7.246 1.00 0.00 C ATOM 490 NE ARG A 32 -18.059 6.865 -7.638 1.00 0.00 N ATOM 491 CZ ARG A 32 -19.119 7.646 -7.835 1.00 0.00 C ATOM 492 NH1 ARG A 32 -20.338 7.203 -7.549 1.00 0.00 N ATOM 493 NH2 ARG A 32 -18.957 8.884 -8.279 1.00 0.00 N ATOM 0 H ARG A 32 -14.765 3.577 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.481 3.810 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.700 3.220 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.333 3.265 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.917 5.693 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.401 5.595 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.720 4.840 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.188 5.176 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.133 7.272 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.464 6.262 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.148 7.804 -7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.020 9.239 -8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.769 9.482 -8.430 1.00 0.00 H new ATOM 507 N ARG A 33 -16.198 1.153 -5.025 1.00 0.00 N ATOM 508 CA ARG A 33 -16.047 -0.287 -4.930 1.00 0.00 C ATOM 509 C ARG A 33 -14.583 -0.670 -4.798 1.00 0.00 C ATOM 510 O ARG A 33 -13.756 -0.333 -5.647 1.00 0.00 O ATOM 511 CB ARG A 33 -16.673 -0.993 -6.132 1.00 0.00 C ATOM 512 CG ARG A 33 -18.170 -1.213 -5.987 1.00 0.00 C ATOM 513 CD ARG A 33 -18.722 -2.053 -7.125 1.00 0.00 C ATOM 514 NE ARG A 33 -20.024 -2.621 -6.795 1.00 0.00 N ATOM 515 CZ ARG A 33 -20.558 -3.671 -7.411 1.00 0.00 C ATOM 516 NH1 ARG A 33 -19.930 -4.241 -8.433 1.00 0.00 N ATOM 517 NH2 ARG A 33 -21.728 -4.143 -7.007 1.00 0.00 N ATOM 0 H ARG A 33 -15.830 1.561 -5.884 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.574 -0.613 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.485 -0.404 -7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.183 -1.956 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.376 -1.706 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.680 -0.250 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.810 -1.439 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.023 -2.856 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.559 -2.185 -6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.033 -3.873 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.345 -5.046 -8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.214 -3.701 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.142 -4.948 -7.476 1.00 0.00 H new ATOM 531 N TRP A 34 -14.277 -1.362 -3.719 1.00 0.00 N ATOM 532 CA TRP A 34 -12.931 -1.842 -3.469 1.00 0.00 C ATOM 533 C TRP A 34 -12.709 -3.176 -4.170 1.00 0.00 C ATOM 534 O TRP A 34 -13.052 -4.226 -3.634 1.00 0.00 O ATOM 535 CB TRP A 34 -12.702 -2.020 -1.967 1.00 0.00 C ATOM 536 CG TRP A 34 -12.755 -0.743 -1.196 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.829 -0.213 -0.538 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.674 0.165 -0.999 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.473 0.972 0.060 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.154 1.224 -0.210 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.342 0.183 -1.413 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.345 2.286 0.173 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.546 1.240 -1.033 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.048 2.279 -0.247 1.00 0.00 C ATOM 0 H TRP A 34 -14.950 -1.607 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.227 -1.106 -3.858 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.454 -2.704 -1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -11.731 -2.489 -1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.812 -0.659 -0.494 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.090 1.566 0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.943 -0.617 -2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.730 3.090 0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.514 1.266 -1.349 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.396 3.093 0.034 1.00 0.00 H new ATOM 555 N VAL A 35 -12.169 -3.134 -5.374 1.00 0.00 N ATOM 556 CA VAL A 35 -11.832 -4.367 -6.080 1.00 0.00 C ATOM 557 C VAL A 35 -10.397 -4.766 -5.753 1.00 0.00 C ATOM 558 O VAL A 35 -9.659 -3.973 -5.175 1.00 0.00 O ATOM 559 CB VAL A 35 -12.017 -4.240 -7.610 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.472 -3.966 -7.955 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.126 -3.153 -8.188 1.00 0.00 C ATOM 0 H VAL A 35 -11.955 -2.276 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.520 -5.141 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.724 -5.190 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.580 -3.880 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.092 -4.786 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.789 -3.035 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.281 -3.090 -9.265 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.375 -2.196 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.082 -3.392 -7.985 1.00 0.00 H new ATOM 571 N ALA A 36 -10.014 -5.991 -6.106 1.00 0.00 N ATOM 572 CA ALA A 36 -8.674 -6.500 -5.806 1.00 0.00 C ATOM 573 C ALA A 36 -7.591 -5.513 -6.237 1.00 0.00 C ATOM 574 O ALA A 36 -6.793 -5.064 -5.414 1.00 0.00 O ATOM 575 CB ALA A 36 -8.454 -7.853 -6.469 1.00 0.00 C ATOM 0 H ALA A 36 -10.613 -6.652 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.602 -6.623 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.453 -8.215 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.193 -8.564 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.559 -7.750 -7.549 1.00 0.00 H new ATOM 581 N SER A 37 -7.590 -5.155 -7.516 1.00 0.00 N ATOM 582 CA SER A 37 -6.621 -4.204 -8.049 1.00 0.00 C ATOM 583 C SER A 37 -6.687 -2.876 -7.292 1.00 0.00 C ATOM 584 O SER A 37 -5.668 -2.227 -7.075 1.00 0.00 O ATOM 585 CB SER A 37 -6.879 -3.975 -9.544 1.00 0.00 C ATOM 586 OG SER A 37 -5.911 -3.108 -10.115 1.00 0.00 O ATOM 0 H SER A 37 -8.252 -5.511 -8.206 1.00 0.00 H new ATOM 0 HA SER A 37 -5.622 -4.621 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.865 -4.931 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.874 -3.551 -9.681 1.00 0.00 H new ATOM 0 HG SER A 37 -6.104 -2.985 -11.068 1.00 0.00 H new ATOM 592 N ARG A 38 -7.885 -2.500 -6.864 1.00 0.00 N ATOM 593 CA ARG A 38 -8.089 -1.243 -6.156 1.00 0.00 C ATOM 594 C ARG A 38 -7.440 -1.301 -4.777 1.00 0.00 C ATOM 595 O ARG A 38 -6.781 -0.352 -4.355 1.00 0.00 O ATOM 596 CB ARG A 38 -9.588 -0.952 -6.019 1.00 0.00 C ATOM 597 CG ARG A 38 -9.926 0.397 -5.394 1.00 0.00 C ATOM 598 CD ARG A 38 -9.602 1.556 -6.328 1.00 0.00 C ATOM 599 NE ARG A 38 -8.158 1.713 -6.540 1.00 0.00 N ATOM 600 CZ ARG A 38 -7.608 2.461 -7.506 1.00 0.00 C ATOM 601 NH1 ARG A 38 -8.371 3.162 -8.333 1.00 0.00 N ATOM 602 NH2 ARG A 38 -6.288 2.508 -7.641 1.00 0.00 N ATOM 0 H ARG A 38 -8.734 -3.050 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.624 -0.441 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.045 -1.003 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.042 -1.739 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.985 0.423 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.370 0.515 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.093 1.394 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.009 2.478 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.529 1.218 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.386 3.135 -8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.943 3.729 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.691 1.974 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.871 3.078 -8.377 1.00 0.00 H new ATOM 616 N LYS A 39 -7.626 -2.425 -4.095 1.00 0.00 N ATOM 617 CA LYS A 39 -7.079 -2.628 -2.755 1.00 0.00 C ATOM 618 C LYS A 39 -5.558 -2.733 -2.798 1.00 0.00 C ATOM 619 O LYS A 39 -4.844 -2.046 -2.053 1.00 0.00 O ATOM 620 CB LYS A 39 -7.658 -3.906 -2.150 1.00 0.00 C ATOM 621 CG LYS A 39 -9.169 -3.885 -1.998 1.00 0.00 C ATOM 622 CD LYS A 39 -9.703 -5.242 -1.563 1.00 0.00 C ATOM 623 CE LYS A 39 -11.195 -5.194 -1.285 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.741 -6.529 -0.934 1.00 0.00 N ATOM 0 H LYS A 39 -8.157 -3.219 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.352 -1.770 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.377 -4.753 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.206 -4.070 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.452 -3.129 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.627 -3.599 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.501 -5.979 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.176 -5.571 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.389 -4.498 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.715 -4.810 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.762 -6.450 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.580 -7.188 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.264 -6.886 -0.081 1.00 0.00 H new ATOM 638 N ILE A 40 -5.076 -3.596 -3.685 1.00 0.00 N ATOM 639 CA ILE A 40 -3.646 -3.814 -3.865 1.00 0.00 C ATOM 640 C ILE A 40 -2.946 -2.509 -4.247 1.00 0.00 C ATOM 641 O ILE A 40 -1.811 -2.256 -3.836 1.00 0.00 O ATOM 642 CB ILE A 40 -3.382 -4.920 -4.929 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.447 -6.318 -4.291 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.038 -4.726 -5.621 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.793 -6.687 -3.707 1.00 0.00 C ATOM 0 H ILE A 40 -5.663 -4.162 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.232 -4.157 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.166 -4.836 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.178 -7.059 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.696 -6.378 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.890 -5.517 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.023 -3.758 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.239 -4.764 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.742 -7.689 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.059 -5.973 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.549 -6.665 -4.492 1.00 0.00 H new ATOM 657 N ALA A 41 -3.643 -1.671 -5.007 1.00 0.00 N ATOM 658 CA ALA A 41 -3.110 -0.377 -5.408 1.00 0.00 C ATOM 659 C ALA A 41 -2.897 0.536 -4.206 1.00 0.00 C ATOM 660 O ALA A 41 -1.984 1.357 -4.204 1.00 0.00 O ATOM 661 CB ALA A 41 -4.030 0.292 -6.412 1.00 0.00 C ATOM 0 H ALA A 41 -4.581 -1.867 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.141 -0.553 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.614 1.258 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.125 -0.339 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.013 0.439 -5.964 1.00 0.00 H new ATOM 667 N VAL A 42 -3.736 0.393 -3.182 1.00 0.00 N ATOM 668 CA VAL A 42 -3.608 1.219 -1.988 1.00 0.00 C ATOM 669 C VAL A 42 -2.323 0.877 -1.256 1.00 0.00 C ATOM 670 O VAL A 42 -1.456 1.732 -1.087 1.00 0.00 O ATOM 671 CB VAL A 42 -4.782 1.051 -1.003 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.739 2.132 0.064 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.112 1.080 -1.720 1.00 0.00 C ATOM 0 H VAL A 42 -4.503 -0.279 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.605 2.253 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.677 0.077 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.575 1.999 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.801 2.062 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.810 3.112 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.918 0.959 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.227 2.034 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.152 0.268 -2.446 1.00 0.00 H new ATOM 683 N VAL A 43 -2.191 -0.384 -0.852 1.00 0.00 N ATOM 684 CA VAL A 43 -1.024 -0.817 -0.081 1.00 0.00 C ATOM 685 C VAL A 43 0.280 -0.585 -0.837 1.00 0.00 C ATOM 686 O VAL A 43 1.259 -0.111 -0.262 1.00 0.00 O ATOM 687 CB VAL A 43 -1.110 -2.298 0.347 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.799 -2.418 1.693 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.845 -3.130 -0.691 1.00 0.00 C ATOM 0 H VAL A 43 -2.871 -1.120 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.027 -0.200 0.818 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.093 -2.681 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.853 -3.468 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.233 -1.864 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.807 -2.009 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.889 -4.168 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.857 -2.745 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.317 -3.074 -1.643 1.00 0.00 H new ATOM 699 N ARG A 44 0.294 -0.895 -2.124 1.00 0.00 N ATOM 700 CA ARG A 44 1.489 -0.683 -2.931 1.00 0.00 C ATOM 701 C ARG A 44 1.733 0.808 -3.146 1.00 0.00 C ATOM 702 O ARG A 44 2.872 1.268 -3.142 1.00 0.00 O ATOM 703 CB ARG A 44 1.374 -1.394 -4.280 1.00 0.00 C ATOM 704 CG ARG A 44 1.372 -2.914 -4.188 1.00 0.00 C ATOM 705 CD ARG A 44 1.385 -3.542 -5.571 1.00 0.00 C ATOM 706 NE ARG A 44 1.388 -5.003 -5.523 1.00 0.00 N ATOM 707 CZ ARG A 44 2.250 -5.764 -6.201 1.00 0.00 C ATOM 708 NH1 ARG A 44 3.207 -5.198 -6.920 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.155 -7.090 -6.159 1.00 0.00 N ATOM 0 H ARG A 44 -0.499 -1.290 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 44 2.336 -1.105 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.457 -1.070 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.203 -1.081 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.243 -3.249 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.490 -3.248 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.513 -3.202 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.265 -3.198 -6.114 1.00 0.00 H new ATOM 0 HE ARG A 44 0.692 -5.467 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.285 -4.182 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.866 -5.778 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.420 -7.531 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.817 -7.665 -6.680 1.00 0.00 H new ATOM 723 N GLY A 45 0.653 1.560 -3.314 1.00 0.00 N ATOM 724 CA GLY A 45 0.767 2.980 -3.564 1.00 0.00 C ATOM 725 C GLY A 45 1.262 3.751 -2.358 1.00 0.00 C ATOM 726 O GLY A 45 2.216 4.519 -2.457 1.00 0.00 O ATOM 0 H GLY A 45 -0.304 1.208 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.449 3.144 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.205 3.370 -3.865 1.00 0.00 H new ATOM 730 N VAL A 46 0.633 3.535 -1.211 1.00 0.00 N ATOM 731 CA VAL A 46 0.983 4.285 -0.013 1.00 0.00 C ATOM 732 C VAL A 46 2.360 3.891 0.519 1.00 0.00 C ATOM 733 O VAL A 46 3.201 4.758 0.749 1.00 0.00 O ATOM 734 CB VAL A 46 -0.075 4.136 1.113 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.406 4.710 0.670 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.240 2.686 1.553 1.00 0.00 C ATOM 0 H VAL A 46 -0.115 2.853 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 46 1.008 5.332 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 46 0.285 4.699 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.136 4.597 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.286 5.768 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.755 4.179 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.990 2.628 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.560 2.082 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.711 2.309 1.928 1.00 0.00 H new ATOM 746 N ILE A 47 2.594 2.591 0.663 1.00 0.00 N ATOM 747 CA ILE A 47 3.801 2.078 1.310 1.00 0.00 C ATOM 748 C ILE A 47 5.034 2.245 0.427 1.00 0.00 C ATOM 749 O ILE A 47 6.091 2.674 0.891 1.00 0.00 O ATOM 750 CB ILE A 47 3.628 0.582 1.674 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.509 0.407 2.706 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.928 -0.015 2.193 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.267 -1.036 3.105 1.00 0.00 C ATOM 0 H ILE A 47 1.957 1.864 0.337 1.00 0.00 H new ATOM 0 HA ILE A 47 3.950 2.662 2.218 1.00 0.00 H new ATOM 0 HB ILE A 47 3.353 0.047 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.755 0.985 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.586 0.823 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.773 -1.065 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.698 0.068 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.245 0.524 3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.461 -1.081 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.989 -1.615 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.176 -1.451 3.540 1.00 0.00 H new ATOM 765 N TYR A 48 4.896 1.917 -0.847 1.00 0.00 N ATOM 766 CA TYR A 48 6.038 1.901 -1.748 1.00 0.00 C ATOM 767 C TYR A 48 6.210 3.252 -2.431 1.00 0.00 C ATOM 768 O TYR A 48 7.313 3.625 -2.830 1.00 0.00 O ATOM 769 CB TYR A 48 5.844 0.815 -2.806 1.00 0.00 C ATOM 770 CG TYR A 48 7.121 0.360 -3.470 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.123 -0.255 -2.732 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.319 0.536 -4.833 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.292 -0.679 -3.330 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.487 0.111 -5.442 1.00 0.00 C ATOM 775 CZ TYR A 48 9.468 -0.496 -4.684 1.00 0.00 C ATOM 776 OH TYR A 48 10.629 -0.932 -5.280 1.00 0.00 O ATOM 0 H TYR A 48 4.009 1.659 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 48 6.934 1.691 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.363 -0.046 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.163 1.187 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.985 -0.404 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.551 1.011 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.064 -1.151 -2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.630 0.253 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 48 10.600 -0.731 -6.239 1.00 0.00 H new ATOM 786 N GLY A 49 5.109 3.978 -2.568 1.00 0.00 N ATOM 787 CA GLY A 49 5.129 5.196 -3.340 1.00 0.00 C ATOM 788 C GLY A 49 5.204 6.462 -2.506 1.00 0.00 C ATOM 789 O GLY A 49 6.085 7.295 -2.726 1.00 0.00 O ATOM 0 H GLY A 49 4.205 3.743 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.983 5.170 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.233 5.235 -3.959 1.00 0.00 H new ATOM 793 N LEU A 50 4.296 6.620 -1.550 1.00 0.00 N ATOM 794 CA LEU A 50 4.098 7.923 -0.927 1.00 0.00 C ATOM 795 C LEU A 50 4.669 8.027 0.486 1.00 0.00 C ATOM 796 O LEU A 50 5.730 8.619 0.686 1.00 0.00 O ATOM 797 CB LEU A 50 2.610 8.292 -0.909 1.00 0.00 C ATOM 798 CG LEU A 50 2.029 8.800 -2.236 1.00 0.00 C ATOM 799 CD1 LEU A 50 2.883 9.929 -2.790 1.00 0.00 C ATOM 800 CD2 LEU A 50 1.897 7.676 -3.254 1.00 0.00 C ATOM 0 H LEU A 50 3.695 5.877 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 50 4.655 8.630 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.042 7.415 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.455 9.058 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 50 1.028 9.183 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.458 10.278 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.907 10.751 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.897 9.568 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.483 8.072 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.879 7.246 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.235 6.905 -2.861 1.00 0.00 H new ATOM 812 N ILE A 51 3.981 7.448 1.462 1.00 0.00 N ATOM 813 CA ILE A 51 4.257 7.760 2.860 1.00 0.00 C ATOM 814 C ILE A 51 4.400 6.506 3.713 1.00 0.00 C ATOM 815 O ILE A 51 4.414 5.388 3.207 1.00 0.00 O ATOM 816 CB ILE A 51 3.154 8.661 3.484 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.815 7.910 3.644 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.959 9.930 2.664 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.098 7.590 2.349 1.00 0.00 C ATOM 0 H ILE A 51 3.236 6.767 1.315 1.00 0.00 H new ATOM 0 HA ILE A 51 5.204 8.299 2.857 1.00 0.00 H new ATOM 0 HB ILE A 51 3.495 8.939 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.001 6.978 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.153 8.509 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.182 10.543 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.893 10.491 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.662 9.665 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.169 7.063 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.873 8.516 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.734 6.961 1.727 1.00 0.00 H new ATOM 831 N THR A 52 4.504 6.715 5.017 1.00 0.00 N ATOM 832 CA THR A 52 4.622 5.620 5.961 1.00 0.00 C ATOM 833 C THR A 52 3.242 5.107 6.354 1.00 0.00 C ATOM 834 O THR A 52 2.222 5.724 6.033 1.00 0.00 O ATOM 835 CB THR A 52 5.387 6.062 7.222 1.00 0.00 C ATOM 836 OG1 THR A 52 4.778 7.239 7.780 1.00 0.00 O ATOM 837 CG2 THR A 52 6.846 6.344 6.898 1.00 0.00 C ATOM 0 H THR A 52 4.509 7.641 5.445 1.00 0.00 H new ATOM 0 HA THR A 52 5.179 4.818 5.477 1.00 0.00 H new ATOM 0 HB THR A 52 5.343 5.252 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.269 7.512 8.583 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.366 6.655 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.312 5.441 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.907 7.139 6.154 1.00 0.00 H new ATOM 845 N LEU A 53 3.210 3.992 7.069 1.00 0.00 N ATOM 846 CA LEU A 53 1.951 3.378 7.468 1.00 0.00 C ATOM 847 C LEU A 53 1.266 4.198 8.564 1.00 0.00 C ATOM 848 O LEU A 53 0.099 3.979 8.877 1.00 0.00 O ATOM 849 CB LEU A 53 2.182 1.936 7.929 1.00 0.00 C ATOM 850 CG LEU A 53 0.925 1.173 8.364 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.140 1.215 7.276 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.275 -0.263 8.707 1.00 0.00 C ATOM 0 H LEU A 53 4.042 3.493 7.385 1.00 0.00 H new ATOM 0 HA LEU A 53 1.289 3.360 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.658 1.385 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.885 1.947 8.762 1.00 0.00 H new ATOM 0 HG LEU A 53 0.521 1.658 9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.022 0.667 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.412 2.251 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.250 0.757 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.374 -0.794 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.704 -0.752 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.999 -0.276 9.521 1.00 0.00 H new ATOM 864 N ALA A 54 1.991 5.143 9.139 1.00 0.00 N ATOM 865 CA ALA A 54 1.405 6.050 10.116 1.00 0.00 C ATOM 866 C ALA A 54 0.351 6.924 9.444 1.00 0.00 C ATOM 867 O ALA A 54 -0.794 6.998 9.890 1.00 0.00 O ATOM 868 CB ALA A 54 2.482 6.909 10.769 1.00 0.00 C ATOM 0 H ALA A 54 2.980 5.303 8.949 1.00 0.00 H new ATOM 0 HA ALA A 54 0.926 5.462 10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.022 7.579 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.203 6.266 11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.992 7.496 10.005 1.00 0.00 H new ATOM 874 N GLU A 55 0.741 7.561 8.347 1.00 0.00 N ATOM 875 CA GLU A 55 -0.175 8.392 7.578 1.00 0.00 C ATOM 876 C GLU A 55 -1.155 7.525 6.795 1.00 0.00 C ATOM 877 O GLU A 55 -2.344 7.831 6.708 1.00 0.00 O ATOM 878 CB GLU A 55 0.605 9.296 6.623 1.00 0.00 C ATOM 879 CG GLU A 55 1.308 10.456 7.307 1.00 0.00 C ATOM 880 CD GLU A 55 0.342 11.368 8.039 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.709 11.718 7.459 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.640 11.756 9.190 1.00 0.00 O ATOM 0 H GLU A 55 1.688 7.517 7.970 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.740 9.015 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.346 8.696 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.079 9.691 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.042 10.067 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.856 11.034 6.563 1.00 0.00 H new ATOM 889 N ALA A 56 -0.652 6.426 6.251 1.00 0.00 N ATOM 890 CA ALA A 56 -1.471 5.514 5.463 1.00 0.00 C ATOM 891 C ALA A 56 -2.529 4.832 6.312 1.00 0.00 C ATOM 892 O ALA A 56 -3.494 4.310 5.783 1.00 0.00 O ATOM 893 CB ALA A 56 -0.598 4.477 4.778 1.00 0.00 C ATOM 0 H ALA A 56 0.324 6.143 6.341 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.985 6.105 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.224 3.803 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.111 4.977 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.054 3.906 5.530 1.00 0.00 H new ATOM 899 N LYS A 57 -2.350 4.832 7.624 1.00 0.00 N ATOM 900 CA LYS A 57 -3.353 4.266 8.512 1.00 0.00 C ATOM 901 C LYS A 57 -4.367 5.334 8.923 1.00 0.00 C ATOM 902 O LYS A 57 -5.564 5.064 9.009 1.00 0.00 O ATOM 903 CB LYS A 57 -2.690 3.639 9.740 1.00 0.00 C ATOM 904 CG LYS A 57 -3.670 3.057 10.745 1.00 0.00 C ATOM 905 CD LYS A 57 -2.976 2.214 11.810 1.00 0.00 C ATOM 906 CE LYS A 57 -1.848 2.962 12.510 1.00 0.00 C ATOM 907 NZ LYS A 57 -0.544 2.807 11.804 1.00 0.00 N ATOM 0 H LYS A 57 -1.529 5.213 8.093 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.886 3.480 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.012 2.851 9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.082 4.395 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.217 3.867 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.403 2.444 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.710 1.896 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.576 1.311 11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.101 4.020 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.751 2.596 13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.180 2.489 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.642 2.104 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.259 3.720 11.396 1.00 0.00 H new ATOM 921 N GLN A 58 -3.891 6.548 9.153 1.00 0.00 N ATOM 922 CA GLN A 58 -4.773 7.645 9.537 1.00 0.00 C ATOM 923 C GLN A 58 -5.631 8.097 8.361 1.00 0.00 C ATOM 924 O GLN A 58 -6.790 8.470 8.537 1.00 0.00 O ATOM 925 CB GLN A 58 -3.966 8.820 10.081 1.00 0.00 C ATOM 926 CG GLN A 58 -3.256 8.511 11.383 1.00 0.00 C ATOM 927 CD GLN A 58 -2.438 9.676 11.885 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.930 10.516 12.640 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.188 9.729 11.471 1.00 0.00 N ATOM 0 H GLN A 58 -2.905 6.800 9.082 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.434 7.280 10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.229 9.121 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.632 9.670 10.232 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.992 8.236 12.138 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.605 7.648 11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.827 9.009 10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.582 10.490 11.776 1.00 0.00 H new ATOM 938 N THR A 59 -5.056 8.075 7.167 1.00 0.00 N ATOM 939 CA THR A 59 -5.792 8.441 5.970 1.00 0.00 C ATOM 940 C THR A 59 -6.430 7.213 5.316 1.00 0.00 C ATOM 941 O THR A 59 -7.645 7.148 5.159 1.00 0.00 O ATOM 942 CB THR A 59 -4.886 9.150 4.946 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.183 10.231 5.576 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.702 9.689 3.780 1.00 0.00 C ATOM 0 H THR A 59 -4.085 7.808 7.004 1.00 0.00 H new ATOM 0 HA THR A 59 -6.578 9.129 6.280 1.00 0.00 H new ATOM 0 HB THR A 59 -4.171 8.421 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.445 9.873 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.039 10.185 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.214 8.865 3.283 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.438 10.403 4.150 1.00 0.00 H new ATOM 952 N TYR A 60 -5.612 6.222 4.968 1.00 0.00 N ATOM 953 CA TYR A 60 -6.092 5.091 4.178 1.00 0.00 C ATOM 954 C TYR A 60 -6.258 3.833 5.030 1.00 0.00 C ATOM 955 O TYR A 60 -6.390 2.736 4.495 1.00 0.00 O ATOM 956 CB TYR A 60 -5.130 4.788 3.023 1.00 0.00 C ATOM 957 CG TYR A 60 -4.750 5.996 2.189 1.00 0.00 C ATOM 958 CD1 TYR A 60 -5.526 6.392 1.110 1.00 0.00 C ATOM 959 CD2 TYR A 60 -3.608 6.734 2.478 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.177 7.490 0.342 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.252 7.829 1.715 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.039 8.204 0.650 1.00 0.00 C ATOM 963 OH TYR A 60 -3.683 9.295 -0.111 1.00 0.00 O ATOM 0 H TYR A 60 -4.624 6.179 5.217 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.067 5.374 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.222 4.343 3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.587 4.042 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.418 5.834 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.988 6.446 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.793 7.785 -0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.360 8.389 1.953 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.856 9.685 0.242 1.00 0.00 H new ATOM 973 N GLY A 61 -6.263 3.998 6.350 1.00 0.00 N ATOM 974 CA GLY A 61 -6.230 2.849 7.240 1.00 0.00 C ATOM 975 C GLY A 61 -7.534 2.089 7.306 1.00 0.00 C ATOM 976 O GLY A 61 -7.537 0.927 7.701 1.00 0.00 O ATOM 0 H GLY A 61 -6.289 4.904 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.442 2.171 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.966 3.186 8.242 1.00 0.00 H new ATOM 980 N LEU A 62 -8.630 2.749 6.907 1.00 0.00 N ATOM 981 CA LEU A 62 -9.982 2.164 6.915 1.00 0.00 C ATOM 982 C LEU A 62 -10.204 1.247 8.120 1.00 0.00 C ATOM 983 O LEU A 62 -10.422 1.724 9.237 1.00 0.00 O ATOM 984 CB LEU A 62 -10.288 1.428 5.595 1.00 0.00 C ATOM 985 CG LEU A 62 -9.126 1.326 4.600 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.341 0.034 4.787 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.631 1.441 3.176 1.00 0.00 C ATOM 0 H LEU A 62 -8.605 3.710 6.567 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.683 2.994 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.626 0.420 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.119 1.934 5.103 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.448 2.157 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.525 -0.004 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.933 -0.001 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.002 -0.819 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.791 1.366 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.339 0.637 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.126 2.403 3.042 1.00 0.00 H new ATOM 999 N SER A 63 -10.149 -0.059 7.897 1.00 0.00 N ATOM 1000 CA SER A 63 -10.156 -1.013 8.986 1.00 0.00 C ATOM 1001 C SER A 63 -8.802 -1.716 9.032 1.00 0.00 C ATOM 1002 O SER A 63 -8.286 -2.135 7.996 1.00 0.00 O ATOM 1003 CB SER A 63 -11.296 -2.018 8.797 1.00 0.00 C ATOM 1004 OG SER A 63 -12.541 -1.347 8.641 1.00 0.00 O ATOM 0 H SER A 63 -10.099 -0.478 6.968 1.00 0.00 H new ATOM 0 HA SER A 63 -10.321 -0.500 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.099 -2.637 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.343 -2.687 9.656 1.00 0.00 H new ATOM 0 HG SER A 63 -13.255 -2.007 8.520 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.223 -1.833 10.222 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.861 -2.350 10.356 1.00 0.00 C ATOM 1012 C ASP A 64 -6.754 -3.777 9.824 1.00 0.00 C ATOM 1013 O ASP A 64 -5.783 -4.120 9.152 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.386 -2.286 11.812 1.00 0.00 C ATOM 1015 CG ASP A 64 -7.068 -3.296 12.715 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -8.286 -3.158 12.960 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -6.392 -4.235 13.190 1.00 0.00 O ATOM 0 H ASP A 64 -8.669 -1.580 11.103 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.211 -1.714 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.309 -2.452 11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.565 -1.284 12.201 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.763 -4.593 10.094 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.768 -5.968 9.621 1.00 0.00 C ATOM 1024 C GLU A 65 -7.966 -5.986 8.110 1.00 0.00 C ATOM 1025 O GLU A 65 -7.413 -6.830 7.409 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.875 -6.769 10.309 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.802 -8.265 10.044 1.00 0.00 C ATOM 1028 CD GLU A 65 -7.602 -8.916 10.700 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -6.492 -8.856 10.132 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -7.763 -9.499 11.792 1.00 0.00 O ATOM 0 H GLU A 65 -8.585 -4.327 10.636 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.811 -6.430 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.822 -6.596 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.843 -6.396 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.713 -8.740 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.762 -8.438 8.969 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.739 -5.025 7.621 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.991 -4.880 6.194 1.00 0.00 C ATOM 1039 C GLU A 66 -7.682 -4.608 5.460 1.00 0.00 C ATOM 1040 O GLU A 66 -7.366 -5.258 4.461 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.974 -3.729 5.961 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.409 -3.566 4.516 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.490 -2.520 4.356 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.534 -1.571 5.167 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -12.311 -2.652 3.423 1.00 0.00 O ATOM 0 H GLU A 66 -9.207 -4.327 8.200 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.424 -5.803 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.857 -3.890 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.514 -2.800 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.547 -3.290 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.773 -4.522 4.138 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.921 -3.658 5.987 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.628 -3.296 5.428 1.00 0.00 C ATOM 1054 C PHE A 67 -4.693 -4.503 5.448 1.00 0.00 C ATOM 1055 O PHE A 67 -3.969 -4.763 4.483 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.028 -2.139 6.234 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.883 -1.441 5.558 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.578 -1.866 5.750 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.112 -0.348 4.735 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.525 -1.217 5.135 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.063 0.305 4.118 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.768 -0.130 4.318 1.00 0.00 C ATOM 0 H PHE A 67 -7.183 -3.119 6.812 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.757 -2.977 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.812 -1.410 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.688 -2.521 7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.382 -2.715 6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.123 -0.003 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.513 -1.559 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.255 1.155 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.946 0.379 3.836 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.733 -5.250 6.549 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.919 -6.456 6.698 1.00 0.00 C ATOM 1074 C ASN A 68 -4.282 -7.495 5.648 1.00 0.00 C ATOM 1075 O ASN A 68 -3.409 -8.175 5.107 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.094 -7.072 8.091 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.466 -6.243 9.195 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.464 -5.563 8.988 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.055 -6.304 10.381 1.00 0.00 N ATOM 0 H ASN A 68 -5.323 -5.041 7.355 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.879 -6.158 6.565 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.158 -7.193 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.653 -8.069 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.677 -5.773 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.886 -6.882 10.509 1.00 0.00 H new ATOM 1086 N SER A 69 -5.572 -7.613 5.355 1.00 0.00 N ATOM 1087 CA SER A 69 -6.052 -8.595 4.394 1.00 0.00 C ATOM 1088 C SER A 69 -5.507 -8.320 2.992 1.00 0.00 C ATOM 1089 O SER A 69 -5.325 -9.247 2.197 1.00 0.00 O ATOM 1090 CB SER A 69 -7.580 -8.615 4.378 1.00 0.00 C ATOM 1091 OG SER A 69 -8.098 -8.955 5.656 1.00 0.00 O ATOM 0 H SER A 69 -6.305 -7.038 5.771 1.00 0.00 H new ATOM 0 HA SER A 69 -5.687 -9.574 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.957 -7.637 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.930 -9.333 3.637 1.00 0.00 H new ATOM 0 HG SER A 69 -7.882 -8.245 6.296 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.234 -7.055 2.693 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.650 -6.692 1.412 1.00 0.00 C ATOM 1099 C TRP A 70 -3.212 -7.180 1.350 1.00 0.00 C ATOM 1100 O TRP A 70 -2.792 -7.809 0.378 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.687 -5.178 1.204 1.00 0.00 C ATOM 1102 CG TRP A 70 -6.060 -4.574 1.278 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.258 -5.232 1.285 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.370 -3.179 1.345 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.291 -4.330 1.364 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.772 -3.064 1.399 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.599 -2.016 1.369 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.413 -1.832 1.472 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.238 -0.797 1.443 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.632 -0.712 1.493 1.00 0.00 C ATOM 0 H TRP A 70 -5.408 -6.268 3.319 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.234 -7.163 0.621 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -4.054 -4.705 1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.254 -4.947 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.375 -6.304 1.236 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.283 -4.565 1.392 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.521 -2.070 1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.490 -1.763 1.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.651 0.109 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.101 0.259 1.549 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.468 -6.907 2.416 1.00 0.00 N ATOM 1122 CA VAL A 71 -1.076 -7.325 2.507 1.00 0.00 C ATOM 1123 C VAL A 71 -0.973 -8.846 2.519 1.00 0.00 C ATOM 1124 O VAL A 71 -0.077 -9.420 1.907 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.394 -6.760 3.772 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.091 -7.098 3.780 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.600 -5.258 3.871 1.00 0.00 C ATOM 0 H VAL A 71 -2.808 -6.396 3.231 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.564 -6.930 1.630 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.856 -7.226 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.552 -6.691 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.218 -8.180 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.567 -6.665 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.111 -4.882 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.170 -4.773 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.667 -5.040 3.920 1.00 0.00 H new ATOM 1137 N SER A 72 -1.909 -9.491 3.206 1.00 0.00 N ATOM 1138 CA SER A 72 -1.939 -10.946 3.291 1.00 0.00 C ATOM 1139 C SER A 72 -2.124 -11.567 1.908 1.00 0.00 C ATOM 1140 O SER A 72 -1.549 -12.615 1.609 1.00 0.00 O ATOM 1141 CB SER A 72 -3.063 -11.399 4.231 1.00 0.00 C ATOM 1142 OG SER A 72 -3.041 -12.805 4.422 1.00 0.00 O ATOM 0 H SER A 72 -2.661 -9.026 3.715 1.00 0.00 H new ATOM 0 HA SER A 72 -0.984 -11.285 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.959 -10.898 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.027 -11.101 3.819 1.00 0.00 H new ATOM 0 HG SER A 72 -3.767 -13.064 5.027 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.909 -10.906 1.062 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.143 -11.384 -0.294 1.00 0.00 C ATOM 1150 C ALA A 73 -1.890 -11.203 -1.140 1.00 0.00 C ATOM 1151 O ALA A 73 -1.620 -11.981 -2.057 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.321 -10.652 -0.923 1.00 0.00 C ATOM 0 H ALA A 73 -3.393 -10.038 1.293 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.383 -12.446 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.481 -11.022 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.217 -10.826 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.109 -9.583 -0.957 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.121 -10.176 -0.809 1.00 0.00 N ATOM 1159 CA LEU A 74 0.124 -9.877 -1.504 1.00 0.00 C ATOM 1160 C LEU A 74 1.283 -10.697 -0.950 1.00 0.00 C ATOM 1161 O LEU A 74 2.363 -10.737 -1.539 1.00 0.00 O ATOM 1162 CB LEU A 74 0.440 -8.390 -1.369 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.510 -7.460 -2.117 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.232 -6.015 -1.745 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.373 -7.664 -3.618 1.00 0.00 C ATOM 0 H LEU A 74 -1.341 -9.527 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.004 -10.138 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.426 -8.125 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.454 -8.215 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.534 -7.698 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.917 -5.362 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.374 -5.882 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.795 -5.762 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.056 -6.994 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.651 -7.447 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.615 -8.697 -3.868 1.00 0.00 H new ATOM 1177 N ALA A 75 1.054 -11.341 0.182 1.00 0.00 N ATOM 1178 CA ALA A 75 2.092 -12.115 0.841 1.00 0.00 C ATOM 1179 C ALA A 75 2.296 -13.453 0.150 1.00 0.00 C ATOM 1180 O ALA A 75 3.408 -13.763 -0.280 1.00 0.00 O ATOM 1181 CB ALA A 75 1.748 -12.321 2.308 1.00 0.00 C ATOM 0 H ALA A 75 0.156 -11.343 0.665 1.00 0.00 H new ATOM 0 HA ALA A 75 3.025 -11.556 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.535 -12.903 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.660 -11.353 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.802 -12.856 2.388 1.00 0.00 H new ATOM 1187 N GLU A 76 1.213 -14.232 0.048 1.00 0.00 N ATOM 1188 CA GLU A 76 1.239 -15.584 -0.530 1.00 0.00 C ATOM 1189 C GLU A 76 2.034 -16.541 0.358 1.00 0.00 C ATOM 1190 O GLU A 76 1.503 -17.534 0.859 1.00 0.00 O ATOM 1191 CB GLU A 76 1.834 -15.585 -1.943 1.00 0.00 C ATOM 1192 CG GLU A 76 1.703 -16.924 -2.649 1.00 0.00 C ATOM 1193 CD GLU A 76 2.861 -17.216 -3.577 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.040 -16.482 -4.567 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.606 -18.184 -3.313 1.00 0.00 O ATOM 0 H GLU A 76 0.288 -13.942 0.365 1.00 0.00 H new ATOM 0 HA GLU A 76 0.205 -15.924 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.339 -14.818 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.888 -15.314 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.632 -17.716 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.774 -16.939 -3.219 1.00 0.00 H new ATOM 1202 N HIS A 77 3.307 -16.238 0.541 1.00 0.00 N ATOM 1203 CA HIS A 77 4.189 -17.039 1.369 1.00 0.00 C ATOM 1204 C HIS A 77 4.376 -16.373 2.729 1.00 0.00 C ATOM 1205 O HIS A 77 4.970 -15.299 2.834 1.00 0.00 O ATOM 1206 CB HIS A 77 5.542 -17.262 0.668 1.00 0.00 C ATOM 1207 CG HIS A 77 6.280 -16.004 0.295 1.00 0.00 C ATOM 1208 ND1 HIS A 77 7.318 -15.492 1.042 1.00 0.00 N ATOM 1209 CD2 HIS A 77 6.129 -15.161 -0.757 1.00 0.00 C ATOM 1210 CE1 HIS A 77 7.769 -14.393 0.469 1.00 0.00 C ATOM 1211 NE2 HIS A 77 7.066 -14.166 -0.622 1.00 0.00 N ATOM 0 H HIS A 77 3.759 -15.427 0.118 1.00 0.00 H new ATOM 0 HA HIS A 77 3.733 -18.017 1.525 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.179 -17.859 1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.374 -17.848 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.406 -15.255 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.580 -13.780 0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 77 7.196 -13.381 -1.261 1.00 0.00 H new ATOM 1220 N GLY A 78 3.855 -17.005 3.766 1.00 0.00 N ATOM 1221 CA GLY A 78 3.883 -16.402 5.080 1.00 0.00 C ATOM 1222 C GLY A 78 4.613 -17.244 6.100 1.00 0.00 C ATOM 1223 O GLY A 78 4.062 -17.563 7.153 1.00 0.00 O ATOM 0 H GLY A 78 3.414 -17.924 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.361 -15.424 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.861 -16.235 5.419 1.00 0.00 H new ATOM 1227 N LYS A 79 5.850 -17.614 5.797 1.00 0.00 N ATOM 1228 CA LYS A 79 6.673 -18.345 6.751 1.00 0.00 C ATOM 1229 C LYS A 79 7.425 -17.360 7.631 1.00 0.00 C ATOM 1230 O LYS A 79 7.432 -17.471 8.856 1.00 0.00 O ATOM 1231 CB LYS A 79 7.672 -19.272 6.044 1.00 0.00 C ATOM 1232 CG LYS A 79 7.038 -20.456 5.327 1.00 0.00 C ATOM 1233 CD LYS A 79 6.462 -20.068 3.975 1.00 0.00 C ATOM 1234 CE LYS A 79 5.818 -21.259 3.281 1.00 0.00 C ATOM 1235 NZ LYS A 79 4.581 -21.702 3.977 1.00 0.00 N ATOM 0 H LYS A 79 6.303 -17.422 4.904 1.00 0.00 H new ATOM 0 HA LYS A 79 6.014 -18.965 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.241 -18.688 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.383 -19.648 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.785 -21.238 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.248 -20.875 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.722 -19.278 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.253 -19.662 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.580 -20.994 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.529 -22.085 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.090 -22.411 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.831 -22.121 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.956 -20.885 4.127 1.00 0.00 H new ATOM 1249 N ASP A 80 8.051 -16.391 6.986 1.00 0.00 N ATOM 1250 CA ASP A 80 8.816 -15.368 7.684 1.00 0.00 C ATOM 1251 C ASP A 80 7.910 -14.217 8.086 1.00 0.00 C ATOM 1252 O ASP A 80 8.112 -13.584 9.122 1.00 0.00 O ATOM 1253 CB ASP A 80 9.932 -14.829 6.785 1.00 0.00 C ATOM 1254 CG ASP A 80 10.605 -15.914 5.971 1.00 0.00 C ATOM 1255 OD1 ASP A 80 10.049 -16.298 4.921 1.00 0.00 O ATOM 1256 OD2 ASP A 80 11.693 -16.377 6.369 1.00 0.00 O ATOM 0 H ASP A 80 8.045 -16.290 5.971 1.00 0.00 H new ATOM 0 HA ASP A 80 9.253 -15.820 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.519 -14.079 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.678 -14.327 7.401 1.00 0.00 H new ATOM 1261 N ALA A 81 6.927 -13.936 7.220 1.00 0.00 N ATOM 1262 CA ALA A 81 5.979 -12.825 7.399 1.00 0.00 C ATOM 1263 C ALA A 81 6.660 -11.462 7.240 1.00 0.00 C ATOM 1264 O ALA A 81 5.999 -10.433 7.118 1.00 0.00 O ATOM 1265 CB ALA A 81 5.265 -12.922 8.743 1.00 0.00 C ATOM 0 H ALA A 81 6.765 -14.476 6.370 1.00 0.00 H new ATOM 0 HA ALA A 81 5.232 -12.911 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.571 -12.088 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.714 -13.861 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.999 -12.886 9.548 1.00 0.00 H new ATOM 1271 N LEU A 82 7.983 -11.468 7.241 1.00 0.00 N ATOM 1272 CA LEU A 82 8.761 -10.260 7.022 1.00 0.00 C ATOM 1273 C LEU A 82 9.345 -10.270 5.612 1.00 0.00 C ATOM 1274 O LEU A 82 9.870 -9.271 5.133 1.00 0.00 O ATOM 1275 CB LEU A 82 9.880 -10.163 8.067 1.00 0.00 C ATOM 1276 CG LEU A 82 10.712 -8.878 8.026 1.00 0.00 C ATOM 1277 CD1 LEU A 82 9.841 -7.669 8.331 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.873 -8.969 9.005 1.00 0.00 C ATOM 0 H LEU A 82 8.545 -12.305 7.393 1.00 0.00 H new ATOM 0 HA LEU A 82 8.113 -9.390 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.436 -10.256 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.550 -11.013 7.936 1.00 0.00 H new ATOM 0 HG LEU A 82 11.119 -8.758 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.449 -6.765 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.044 -7.598 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.405 -7.776 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.456 -8.049 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.487 -9.111 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.509 -9.813 8.738 1.00 0.00 H new ATOM 1290 N LYS A 83 9.222 -11.413 4.940 1.00 0.00 N ATOM 1291 CA LYS A 83 9.768 -11.582 3.598 1.00 0.00 C ATOM 1292 C LYS A 83 8.759 -11.109 2.548 1.00 0.00 C ATOM 1293 O LYS A 83 8.958 -11.283 1.344 1.00 0.00 O ATOM 1294 CB LYS A 83 10.146 -13.052 3.367 1.00 0.00 C ATOM 1295 CG LYS A 83 10.988 -13.291 2.118 1.00 0.00 C ATOM 1296 CD LYS A 83 11.402 -14.750 1.982 1.00 0.00 C ATOM 1297 CE LYS A 83 12.308 -15.181 3.123 1.00 0.00 C ATOM 1298 NZ LYS A 83 12.715 -16.605 3.005 1.00 0.00 N ATOM 0 H LYS A 83 8.747 -12.238 5.306 1.00 0.00 H new ATOM 0 HA LYS A 83 10.667 -10.973 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.694 -13.416 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.233 -13.643 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.422 -12.991 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.878 -12.663 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.513 -15.381 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.917 -14.896 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.197 -14.550 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.793 -15.029 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.332 -16.857 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.869 -17.210 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.229 -16.746 2.112 1.00 0.00 H new ATOM 1312 N VAL A 84 7.671 -10.510 3.016 1.00 0.00 N ATOM 1313 CA VAL A 84 6.669 -9.944 2.126 1.00 0.00 C ATOM 1314 C VAL A 84 7.243 -8.707 1.441 1.00 0.00 C ATOM 1315 O VAL A 84 7.675 -7.780 2.115 1.00 0.00 O ATOM 1316 CB VAL A 84 5.381 -9.576 2.896 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.332 -8.986 1.963 1.00 0.00 C ATOM 1318 CG2 VAL A 84 4.831 -10.793 3.620 1.00 0.00 C ATOM 0 H VAL A 84 7.461 -10.404 4.009 1.00 0.00 H new ATOM 0 HA VAL A 84 6.407 -10.691 1.377 1.00 0.00 H new ATOM 0 HB VAL A 84 5.634 -8.816 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.437 -8.737 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.727 -8.084 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.080 -9.714 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.924 -10.517 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.600 -11.574 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.574 -11.162 4.327 1.00 0.00 H new ATOM 1328 N THR A 85 7.240 -8.709 0.111 1.00 0.00 N ATOM 1329 CA THR A 85 7.940 -7.700 -0.693 1.00 0.00 C ATOM 1330 C THR A 85 7.738 -6.262 -0.191 1.00 0.00 C ATOM 1331 O THR A 85 8.708 -5.551 0.080 1.00 0.00 O ATOM 1332 CB THR A 85 7.492 -7.793 -2.165 1.00 0.00 C ATOM 1333 OG1 THR A 85 7.568 -9.160 -2.602 1.00 0.00 O ATOM 1334 CG2 THR A 85 8.357 -6.916 -3.064 1.00 0.00 C ATOM 0 H THR A 85 6.752 -9.411 -0.445 1.00 0.00 H new ATOM 0 HA THR A 85 9.003 -7.922 -0.598 1.00 0.00 H new ATOM 0 HB THR A 85 6.464 -7.437 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.282 -9.221 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.016 -7.004 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.279 -5.877 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.396 -7.239 -2.997 1.00 0.00 H new ATOM 1342 N ALA A 86 6.484 -5.844 -0.048 1.00 0.00 N ATOM 1343 CA ALA A 86 6.175 -4.465 0.335 1.00 0.00 C ATOM 1344 C ALA A 86 6.608 -4.164 1.772 1.00 0.00 C ATOM 1345 O ALA A 86 6.981 -3.039 2.099 1.00 0.00 O ATOM 1346 CB ALA A 86 4.686 -4.193 0.165 1.00 0.00 C ATOM 0 H ALA A 86 5.666 -6.436 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 86 6.739 -3.805 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.469 -3.164 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.405 -4.345 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.117 -4.875 0.797 1.00 0.00 H new ATOM 1352 N LEU A 87 6.603 -5.186 2.608 1.00 0.00 N ATOM 1353 CA LEU A 87 6.839 -5.008 4.032 1.00 0.00 C ATOM 1354 C LEU A 87 8.329 -5.114 4.309 1.00 0.00 C ATOM 1355 O LEU A 87 8.881 -4.356 5.101 1.00 0.00 O ATOM 1356 CB LEU A 87 6.055 -6.066 4.824 1.00 0.00 C ATOM 1357 CG LEU A 87 5.655 -5.686 6.260 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.866 -5.593 7.176 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.885 -4.374 6.264 1.00 0.00 C ATOM 0 H LEU A 87 6.438 -6.152 2.326 1.00 0.00 H new ATOM 0 HA LEU A 87 6.494 -4.023 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.148 -6.306 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.654 -6.976 4.865 1.00 0.00 H new ATOM 0 HG LEU A 87 5.012 -6.477 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.542 -5.323 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.375 -6.557 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.550 -4.833 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.608 -4.118 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.510 -3.584 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.984 -4.479 5.660 1.00 0.00 H new ATOM 1371 N LYS A 88 8.970 -6.049 3.621 1.00 0.00 N ATOM 1372 CA LYS A 88 10.402 -6.255 3.737 1.00 0.00 C ATOM 1373 C LYS A 88 11.141 -4.995 3.324 1.00 0.00 C ATOM 1374 O LYS A 88 12.127 -4.612 3.945 1.00 0.00 O ATOM 1375 CB LYS A 88 10.834 -7.433 2.858 1.00 0.00 C ATOM 1376 CG LYS A 88 12.293 -7.820 3.027 1.00 0.00 C ATOM 1377 CD LYS A 88 12.673 -8.966 2.104 1.00 0.00 C ATOM 1378 CE LYS A 88 14.129 -9.358 2.269 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.042 -8.203 2.066 1.00 0.00 N ATOM 0 H LYS A 88 8.510 -6.684 2.968 1.00 0.00 H new ATOM 0 HA LYS A 88 10.646 -6.483 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.210 -8.296 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.653 -7.180 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.926 -6.958 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.477 -8.108 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.038 -9.827 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.489 -8.677 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.283 -9.771 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.376 -10.145 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.014 -8.548 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.746 -7.671 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.005 -7.581 2.899 1.00 0.00 H new ATOM 1393 N LYS A 89 10.641 -4.335 2.287 1.00 0.00 N ATOM 1394 CA LYS A 89 11.264 -3.107 1.813 1.00 0.00 C ATOM 1395 C LYS A 89 11.008 -1.966 2.787 1.00 0.00 C ATOM 1396 O LYS A 89 11.911 -1.195 3.099 1.00 0.00 O ATOM 1397 CB LYS A 89 10.776 -2.746 0.408 1.00 0.00 C ATOM 1398 CG LYS A 89 11.453 -3.556 -0.690 1.00 0.00 C ATOM 1399 CD LYS A 89 12.955 -3.292 -0.722 1.00 0.00 C ATOM 1400 CE LYS A 89 13.678 -4.184 -1.722 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.261 -3.920 -3.124 1.00 0.00 N ATOM 0 H LYS A 89 9.815 -4.625 1.763 1.00 0.00 H new ATOM 0 HA LYS A 89 12.340 -3.274 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.699 -2.902 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.954 -1.685 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.271 -4.618 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.016 -3.302 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.132 -2.247 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.371 -3.453 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.753 -4.030 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.484 -5.229 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.817 -4.516 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.251 -4.141 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.423 -2.918 -3.352 1.00 0.00 H new ATOM 1415 N TYR A 90 9.783 -1.886 3.293 1.00 0.00 N ATOM 1416 CA TYR A 90 9.416 -0.852 4.258 1.00 0.00 C ATOM 1417 C TYR A 90 10.104 -1.085 5.601 1.00 0.00 C ATOM 1418 O TYR A 90 10.148 -0.199 6.448 1.00 0.00 O ATOM 1419 CB TYR A 90 7.889 -0.835 4.426 1.00 0.00 C ATOM 1420 CG TYR A 90 7.348 0.213 5.381 1.00 0.00 C ATOM 1421 CD1 TYR A 90 7.279 1.549 5.012 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.888 -0.143 6.644 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.769 2.503 5.874 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.378 0.805 7.512 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.320 2.124 7.124 1.00 0.00 C ATOM 1426 OH TYR A 90 5.809 3.072 7.986 1.00 0.00 O ATOM 0 H TYR A 90 9.025 -2.525 3.052 1.00 0.00 H new ATOM 0 HA TYR A 90 9.749 0.116 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.435 -0.678 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.568 -1.817 4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.629 1.849 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.930 -1.177 6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.722 3.539 5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.027 0.511 8.490 1.00 0.00 H new ATOM 0 HH TYR A 90 5.537 2.640 8.823 1.00 0.00 H new ATOM 1436 N ARG A 91 10.642 -2.276 5.800 1.00 0.00 N ATOM 1437 CA ARG A 91 11.319 -2.594 7.045 1.00 0.00 C ATOM 1438 C ARG A 91 12.833 -2.484 6.886 1.00 0.00 C ATOM 1439 O ARG A 91 13.511 -1.906 7.737 1.00 0.00 O ATOM 1440 CB ARG A 91 10.931 -3.998 7.515 1.00 0.00 C ATOM 1441 CG ARG A 91 11.308 -4.286 8.959 1.00 0.00 C ATOM 1442 CD ARG A 91 10.716 -3.247 9.899 1.00 0.00 C ATOM 1443 NE ARG A 91 10.940 -3.579 11.302 1.00 0.00 N ATOM 1444 CZ ARG A 91 11.759 -2.904 12.109 1.00 0.00 C ATOM 1445 NH1 ARG A 91 12.476 -1.891 11.638 1.00 0.00 N ATOM 1446 NH2 ARG A 91 11.870 -3.254 13.383 1.00 0.00 N ATOM 0 H ARG A 91 10.624 -3.035 5.119 1.00 0.00 H new ATOM 0 HA ARG A 91 11.005 -1.872 7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.855 -4.126 7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.412 -4.733 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.954 -5.278 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.393 -4.295 9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.155 -2.273 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.645 -3.161 9.715 1.00 0.00 H new ATOM 0 HE ARG A 91 10.438 -4.378 11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.401 -1.627 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.101 -1.377 12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.329 -4.039 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.496 -2.738 14.001 1.00 0.00 H new ATOM 1460 N GLN A 92 13.355 -3.025 5.794 1.00 0.00 N ATOM 1461 CA GLN A 92 14.796 -3.048 5.554 1.00 0.00 C ATOM 1462 C GLN A 92 15.331 -1.651 5.246 1.00 0.00 C ATOM 1463 O GLN A 92 16.432 -1.298 5.663 1.00 0.00 O ATOM 1464 CB GLN A 92 15.130 -3.992 4.396 1.00 0.00 C ATOM 1465 CG GLN A 92 16.618 -4.257 4.231 1.00 0.00 C ATOM 1466 CD GLN A 92 16.933 -5.155 3.050 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.248 -5.133 2.025 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.954 -5.984 3.200 1.00 0.00 N ATOM 0 H GLN A 92 12.801 -3.457 5.055 1.00 0.00 H new ATOM 0 HA GLN A 92 15.275 -3.408 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.617 -4.941 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.741 -3.568 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.139 -3.308 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.003 -4.716 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.498 -5.973 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.197 -6.634 2.453 1.00 0.00 H new ATOM 1477 N LEU A 93 14.533 -0.859 4.533 1.00 0.00 N ATOM 1478 CA LEU A 93 14.955 0.469 4.082 1.00 0.00 C ATOM 1479 C LEU A 93 15.322 1.377 5.259 1.00 0.00 C ATOM 1480 O LEU A 93 16.138 2.290 5.120 1.00 0.00 O ATOM 1481 CB LEU A 93 13.843 1.117 3.253 1.00 0.00 C ATOM 1482 CG LEU A 93 14.188 2.469 2.631 1.00 0.00 C ATOM 1483 CD1 LEU A 93 15.273 2.310 1.579 1.00 0.00 C ATOM 1484 CD2 LEU A 93 12.945 3.107 2.029 1.00 0.00 C ATOM 0 H LEU A 93 13.586 -1.114 4.253 1.00 0.00 H new ATOM 0 HA LEU A 93 15.846 0.343 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.562 0.430 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.966 1.242 3.888 1.00 0.00 H new ATOM 0 HG LEU A 93 14.567 3.125 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.506 3.283 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.169 1.894 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.924 1.639 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.207 4.070 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.539 2.454 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.198 3.255 2.809 1.00 0.00 H new ATOM 1496 N LEU A 94 14.717 1.127 6.413 1.00 0.00 N ATOM 1497 CA LEU A 94 14.971 1.938 7.600 1.00 0.00 C ATOM 1498 C LEU A 94 16.384 1.712 8.138 1.00 0.00 C ATOM 1499 O LEU A 94 16.952 2.581 8.806 1.00 0.00 O ATOM 1500 CB LEU A 94 13.930 1.645 8.691 1.00 0.00 C ATOM 1501 CG LEU A 94 12.600 2.407 8.561 1.00 0.00 C ATOM 1502 CD1 LEU A 94 11.904 2.095 7.242 1.00 0.00 C ATOM 1503 CD2 LEU A 94 11.685 2.079 9.731 1.00 0.00 C ATOM 0 H LEU A 94 14.048 0.370 6.554 1.00 0.00 H new ATOM 0 HA LEU A 94 14.886 2.985 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.718 0.576 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.370 1.880 9.660 1.00 0.00 H new ATOM 0 HG LEU A 94 12.826 3.473 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.968 2.650 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.549 2.384 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.696 1.027 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.748 2.626 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 94 11.481 1.008 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.170 2.367 10.664 1.00 0.00 H new ATOM 1515 N GLU A 95 16.960 0.559 7.827 1.00 0.00 N ATOM 1516 CA GLU A 95 18.315 0.240 8.251 1.00 0.00 C ATOM 1517 C GLU A 95 19.297 0.482 7.110 1.00 0.00 C ATOM 1518 O GLU A 95 19.613 -0.434 6.353 1.00 0.00 O ATOM 1519 CB GLU A 95 18.411 -1.214 8.735 1.00 0.00 C ATOM 1520 CG GLU A 95 18.307 -1.374 10.248 1.00 0.00 C ATOM 1521 CD GLU A 95 17.029 -0.804 10.830 1.00 0.00 C ATOM 1522 OE1 GLU A 95 16.011 -1.524 10.875 1.00 0.00 O ATOM 1523 OE2 GLU A 95 17.042 0.363 11.265 1.00 0.00 O ATOM 0 H GLU A 95 16.507 -0.173 7.280 1.00 0.00 H new ATOM 0 HA GLU A 95 18.573 0.894 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.619 -1.796 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.359 -1.635 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.370 -2.433 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.160 -0.884 10.717 1.00 0.00 H new ATOM 1530 N HIS A 96 19.767 1.727 7.007 1.00 0.00 N ATOM 1531 CA HIS A 96 20.658 2.162 5.925 1.00 0.00 C ATOM 1532 C HIS A 96 19.921 2.190 4.592 1.00 0.00 C ATOM 1533 O HIS A 96 19.686 1.154 3.978 1.00 0.00 O ATOM 1534 CB HIS A 96 21.907 1.278 5.814 1.00 0.00 C ATOM 1535 CG HIS A 96 22.857 1.408 6.964 1.00 0.00 C ATOM 1536 ND1 HIS A 96 23.908 2.296 6.973 1.00 0.00 N ATOM 1537 CD2 HIS A 96 22.912 0.750 8.144 1.00 0.00 C ATOM 1538 CE1 HIS A 96 24.572 2.180 8.108 1.00 0.00 C ATOM 1539 NE2 HIS A 96 23.988 1.246 8.839 1.00 0.00 N ATOM 0 H HIS A 96 19.541 2.466 7.673 1.00 0.00 H new ATOM 0 HA HIS A 96 20.985 3.172 6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 96 21.595 0.237 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 96 22.434 1.527 4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 96 22.235 -0.022 8.478 1.00 0.00 H new ATOM 0 HE1 HIS A 96 25.444 2.751 8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 96 24.287 0.944 9.766 1.00 0.00 H new ATOM 1548 N HIS A 97 19.560 3.391 4.153 1.00 0.00 N ATOM 1549 CA HIS A 97 18.848 3.557 2.890 1.00 0.00 C ATOM 1550 C HIS A 97 19.738 3.116 1.738 1.00 0.00 C ATOM 1551 O HIS A 97 19.469 2.118 1.072 1.00 0.00 O ATOM 1552 CB HIS A 97 18.427 5.018 2.683 1.00 0.00 C ATOM 1553 CG HIS A 97 17.593 5.585 3.791 1.00 0.00 C ATOM 1554 ND1 HIS A 97 17.901 6.760 4.441 1.00 0.00 N ATOM 1555 CD2 HIS A 97 16.445 5.139 4.354 1.00 0.00 C ATOM 1556 CE1 HIS A 97 16.982 7.010 5.355 1.00 0.00 C ATOM 1557 NE2 HIS A 97 16.085 6.042 5.323 1.00 0.00 N ATOM 0 H HIS A 97 19.748 4.261 4.651 1.00 0.00 H new ATOM 0 HA HIS A 97 17.950 2.940 2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 97 19.323 5.629 2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.869 5.094 1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 97 15.911 4.238 4.089 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.967 7.863 6.017 1.00 0.00 H new ATOM 0 HE2 HIS A 97 15.260 5.976 5.920 1.00 0.00 H new ATOM 1566 N HIS A 98 20.800 3.878 1.518 1.00 0.00 N ATOM 1567 CA HIS A 98 21.813 3.574 0.509 1.00 0.00 C ATOM 1568 C HIS A 98 23.069 4.368 0.828 1.00 0.00 C ATOM 1569 O HIS A 98 23.253 4.812 1.962 1.00 0.00 O ATOM 1570 CB HIS A 98 21.337 3.937 -0.912 1.00 0.00 C ATOM 1571 CG HIS A 98 20.422 2.934 -1.554 1.00 0.00 C ATOM 1572 ND1 HIS A 98 20.728 1.595 -1.666 1.00 0.00 N ATOM 1573 CD2 HIS A 98 19.205 3.086 -2.129 1.00 0.00 C ATOM 1574 CE1 HIS A 98 19.743 0.972 -2.284 1.00 0.00 C ATOM 1575 NE2 HIS A 98 18.805 1.853 -2.577 1.00 0.00 N ATOM 0 H HIS A 98 20.987 4.735 2.039 1.00 0.00 H new ATOM 0 HA HIS A 98 22.008 2.502 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 98 20.826 4.899 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 98 22.212 4.067 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 98 18.651 4.009 -2.218 1.00 0.00 H new ATOM 0 HE1 HIS A 98 19.710 -0.083 -2.512 1.00 0.00 H new ATOM 0 HE2 HIS A 98 17.928 1.650 -3.057 1.00 0.00 H new ATOM 1584 N HIS A 99 23.936 4.536 -0.157 1.00 0.00 N ATOM 1585 CA HIS A 99 25.072 5.433 -0.019 1.00 0.00 C ATOM 1586 C HIS A 99 25.519 5.919 -1.392 1.00 0.00 C ATOM 1587 O HIS A 99 26.083 5.161 -2.185 1.00 0.00 O ATOM 1588 CB HIS A 99 26.229 4.757 0.719 1.00 0.00 C ATOM 1589 CG HIS A 99 27.257 5.728 1.216 1.00 0.00 C ATOM 1590 ND1 HIS A 99 28.481 5.908 0.611 1.00 0.00 N ATOM 1591 CD2 HIS A 99 27.234 6.575 2.273 1.00 0.00 C ATOM 1592 CE1 HIS A 99 29.166 6.824 1.272 1.00 0.00 C ATOM 1593 NE2 HIS A 99 28.432 7.243 2.283 1.00 0.00 N ATOM 0 H HIS A 99 23.875 4.064 -1.059 1.00 0.00 H new ATOM 0 HA HIS A 99 24.761 6.291 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 99 25.833 4.192 1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 99 26.708 4.040 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 99 26.424 6.701 2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 99 30.159 7.171 1.026 1.00 0.00 H new ATOM 0 HE2 HIS A 99 28.710 7.950 2.963 1.00 0.00 H new ATOM 1602 N HIS A 100 25.247 7.184 -1.662 1.00 0.00 N ATOM 1603 CA HIS A 100 25.543 7.789 -2.952 1.00 0.00 C ATOM 1604 C HIS A 100 27.040 8.040 -3.103 1.00 0.00 C ATOM 1605 O HIS A 100 27.659 8.707 -2.274 1.00 0.00 O ATOM 1606 CB HIS A 100 24.752 9.096 -3.108 1.00 0.00 C ATOM 1607 CG HIS A 100 25.028 9.838 -4.382 1.00 0.00 C ATOM 1608 ND1 HIS A 100 25.280 11.191 -4.417 1.00 0.00 N ATOM 1609 CD2 HIS A 100 25.075 9.415 -5.667 1.00 0.00 C ATOM 1610 CE1 HIS A 100 25.471 11.569 -5.667 1.00 0.00 C ATOM 1611 NE2 HIS A 100 25.352 10.509 -6.444 1.00 0.00 N ATOM 0 H HIS A 100 24.815 7.822 -0.994 1.00 0.00 H new ATOM 0 HA HIS A 100 25.241 7.100 -3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 100 23.687 8.870 -3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 100 24.981 9.748 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 100 24.923 8.404 -6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 100 25.688 12.574 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 100 25.450 10.505 -7.459 1.00 0.00 H new ATOM 1620 N HIS A 101 27.608 7.488 -4.161 1.00 0.00 N ATOM 1621 CA HIS A 101 29.018 7.656 -4.466 1.00 0.00 C ATOM 1622 C HIS A 101 29.186 7.955 -5.949 1.00 0.00 C ATOM 1623 O HIS A 101 28.555 7.254 -6.770 1.00 0.00 O ATOM 1624 CB HIS A 101 29.825 6.409 -4.059 1.00 0.00 C ATOM 1625 CG HIS A 101 29.391 5.132 -4.719 1.00 0.00 C ATOM 1626 ND1 HIS A 101 28.407 4.313 -4.204 1.00 0.00 N ATOM 1627 CD2 HIS A 101 29.826 4.524 -5.851 1.00 0.00 C ATOM 1628 CE1 HIS A 101 28.259 3.261 -4.988 1.00 0.00 C ATOM 1629 NE2 HIS A 101 29.105 3.365 -5.995 1.00 0.00 N ATOM 1630 OXT HIS A 101 29.938 8.892 -6.287 1.00 0.00 O ATOM 0 H HIS A 101 27.104 6.910 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 101 29.406 8.496 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 101 30.876 6.582 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 101 29.754 6.285 -2.978 1.00 0.00 H new ATOM 0 HD1 HIS A 101 27.877 4.492 -3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 101 30.597 4.885 -6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 101 27.562 2.451 -4.831 1.00 0.00 H new TER 1639 HIS A 101