USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 164:sc= -0.974 (180deg=-2.47) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.1 (180deg=0.902) USER MOD Single : A 3 MET CE :methyl 177:sc= -1.06 (180deg=-1.15) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9) USER MOD Single : A 14 GLN : amide:sc= -5.1! C(o=-5.1!,f=-4.8!) USER MOD Single : A 19 TYR OH : rot 22:sc= 0.953 USER MOD Single : A 20 MET CE :methyl -120:sc= -8.88! (180deg=-12.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -6.03! C(o=-6!,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 22:sc= 0.546 USER MOD Single : A 30 GLN : amide:sc= 0.169 K(o=0.17,f=-11!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HE2:sc= 0.384 K(o=0.38,f=-8.5!) USER MOD Single : A 33 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.27) USER MOD Single : A 34 GLN : amide:sc= 1.11 K(o=1.1,f=-0.72) USER MOD Single : A 35 SER OG : rot 97:sc= 1.04 USER MOD Single : A 43 SER OG : rot 121:sc= 1.44 USER MOD Single : A 44 GLN : amide:sc= -2.78! C(o=-2.8!,f=-13!) USER MOD Single : A 58 ASN : amide:sc=-0.00951 X(o=-0.0095,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.107 1.824 -2.494 1.00 0.00 N ATOM 2 CA MET A 1 1.491 1.667 -3.032 1.00 0.00 C ATOM 3 C MET A 1 1.808 0.178 -3.100 1.00 0.00 C ATOM 4 O MET A 1 1.584 -0.548 -2.137 1.00 0.00 O ATOM 5 CB MET A 1 2.496 2.387 -2.116 1.00 0.00 C ATOM 6 CG MET A 1 2.815 3.774 -2.680 1.00 0.00 C ATOM 7 SD MET A 1 4.462 3.751 -3.430 1.00 0.00 S ATOM 8 CE MET A 1 4.034 2.821 -4.923 1.00 0.00 C ATOM 0 H1 MET A 1 -0.303 2.713 -2.845 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.480 1.024 -2.807 1.00 0.00 H new ATOM 0 H3 MET A 1 0.139 1.844 -1.455 1.00 0.00 H new ATOM 0 HA MET A 1 1.563 2.108 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.084 2.480 -1.111 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.410 1.800 -2.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.069 4.058 -3.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.775 4.520 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.828 2.932 -5.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.915 1.767 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.100 3.204 -5.335 1.00 0.00 H new ATOM 18 N LEU A 2 2.299 -0.281 -4.246 1.00 0.00 N ATOM 19 CA LEU A 2 2.597 -1.696 -4.414 1.00 0.00 C ATOM 20 C LEU A 2 3.981 -1.936 -4.989 1.00 0.00 C ATOM 21 O LEU A 2 4.466 -1.152 -5.801 1.00 0.00 O ATOM 22 CB LEU A 2 1.577 -2.294 -5.356 1.00 0.00 C ATOM 23 CG LEU A 2 1.424 -3.764 -5.054 1.00 0.00 C ATOM 24 CD1 LEU A 2 0.141 -3.959 -4.260 1.00 0.00 C ATOM 25 CD2 LEU A 2 1.374 -4.516 -6.380 1.00 0.00 C ATOM 0 H LEU A 2 2.497 0.298 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 2 2.561 -2.161 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.619 -1.786 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.893 -2.154 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 2 2.258 -4.144 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.012 -5.017 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.198 -3.391 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.707 -3.609 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.263 -5.583 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.526 -4.163 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.297 -4.340 -6.933 1.00 0.00 H new ATOM 37 N MET A 3 4.592 -3.051 -4.598 1.00 0.00 N ATOM 38 CA MET A 3 5.904 -3.406 -5.111 1.00 0.00 C ATOM 39 C MET A 3 5.735 -4.283 -6.348 1.00 0.00 C ATOM 40 O MET A 3 5.063 -5.320 -6.296 1.00 0.00 O ATOM 41 CB MET A 3 6.713 -4.150 -4.042 1.00 0.00 C ATOM 42 CG MET A 3 8.209 -3.951 -4.309 1.00 0.00 C ATOM 43 SD MET A 3 8.759 -5.117 -5.581 1.00 0.00 S ATOM 44 CE MET A 3 10.363 -4.348 -5.917 1.00 0.00 C ATOM 0 H MET A 3 4.200 -3.717 -3.933 1.00 0.00 H new ATOM 0 HA MET A 3 6.445 -2.498 -5.378 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.456 -3.777 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.467 -5.212 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.398 -2.928 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.776 -4.104 -3.391 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.907 -4.945 -6.649 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.209 -3.343 -6.311 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.940 -4.292 -4.994 1.00 0.00 H new ATOM 54 N ILE A 4 6.319 -3.856 -7.462 1.00 0.00 N ATOM 55 CA ILE A 4 6.201 -4.601 -8.708 1.00 0.00 C ATOM 56 C ILE A 4 7.458 -5.392 -8.994 1.00 0.00 C ATOM 57 O ILE A 4 7.417 -6.609 -9.164 1.00 0.00 O ATOM 58 CB ILE A 4 5.966 -3.628 -9.871 1.00 0.00 C ATOM 59 CG1 ILE A 4 4.570 -3.015 -9.751 1.00 0.00 C ATOM 60 CG2 ILE A 4 6.110 -4.354 -11.218 1.00 0.00 C ATOM 61 CD1 ILE A 4 3.503 -4.110 -9.825 1.00 0.00 C ATOM 0 H ILE A 4 6.875 -3.003 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 4 5.362 -5.289 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 4 6.713 -2.836 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.482 -2.475 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.413 -2.290 -10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.940 -3.649 -12.031 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.114 -4.770 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.378 -5.159 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.514 -3.661 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.582 -4.631 -10.779 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.652 -4.819 -9.011 1.00 0.00 H new ATOM 73 N THR A 5 8.566 -4.687 -9.093 1.00 0.00 N ATOM 74 CA THR A 5 9.818 -5.325 -9.417 1.00 0.00 C ATOM 75 C THR A 5 10.941 -4.333 -9.216 1.00 0.00 C ATOM 76 O THR A 5 10.748 -3.261 -8.641 1.00 0.00 O ATOM 77 CB THR A 5 9.794 -5.775 -10.898 1.00 0.00 C ATOM 78 OG1 THR A 5 10.743 -6.814 -11.099 1.00 0.00 O ATOM 79 CG2 THR A 5 10.151 -4.597 -11.793 1.00 0.00 C ATOM 0 H THR A 5 8.622 -3.678 -8.954 1.00 0.00 H new ATOM 0 HA THR A 5 9.969 -6.192 -8.774 1.00 0.00 H new ATOM 0 HB THR A 5 8.796 -6.138 -11.145 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.724 -7.098 -12.037 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.134 -4.914 -12.836 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.427 -3.796 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.148 -4.237 -11.540 1.00 0.00 H new ATOM 87 N SER A 6 12.090 -4.656 -9.756 1.00 0.00 N ATOM 88 CA SER A 6 13.198 -3.749 -9.688 1.00 0.00 C ATOM 89 C SER A 6 13.921 -3.781 -11.009 1.00 0.00 C ATOM 90 O SER A 6 13.976 -4.813 -11.673 1.00 0.00 O ATOM 91 CB SER A 6 14.121 -4.076 -8.535 1.00 0.00 C ATOM 92 OG SER A 6 14.412 -5.469 -8.515 1.00 0.00 O ATOM 0 H SER A 6 12.277 -5.533 -10.242 1.00 0.00 H new ATOM 0 HA SER A 6 12.830 -2.740 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.045 -3.506 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.657 -3.781 -7.594 1.00 0.00 H new ATOM 0 HG SER A 6 15.011 -5.667 -7.765 1.00 0.00 H new ATOM 98 N PHE A 7 14.408 -2.632 -11.405 1.00 0.00 N ATOM 99 CA PHE A 7 15.066 -2.497 -12.684 1.00 0.00 C ATOM 100 C PHE A 7 16.571 -2.388 -12.502 1.00 0.00 C ATOM 101 O PHE A 7 17.049 -1.626 -11.658 1.00 0.00 O ATOM 102 CB PHE A 7 14.502 -1.245 -13.343 1.00 0.00 C ATOM 103 CG PHE A 7 13.111 -1.522 -13.895 1.00 0.00 C ATOM 104 CD1 PHE A 7 12.153 -2.217 -13.135 1.00 0.00 C ATOM 105 CD2 PHE A 7 12.765 -1.066 -15.162 1.00 0.00 C ATOM 106 CE1 PHE A 7 10.876 -2.436 -13.649 1.00 0.00 C ATOM 107 CE2 PHE A 7 11.490 -1.299 -15.664 1.00 0.00 C ATOM 108 CZ PHE A 7 10.553 -1.981 -14.911 1.00 0.00 C ATOM 0 H PHE A 7 14.362 -1.772 -10.859 1.00 0.00 H new ATOM 0 HA PHE A 7 14.886 -3.371 -13.309 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.458 -0.432 -12.618 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.162 -0.920 -14.147 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.407 -2.582 -12.151 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.489 -0.529 -15.758 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.139 -2.962 -13.060 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.229 -0.944 -16.650 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.566 -2.158 -15.311 1.00 0.00 H new ATOM 118 N ALA A 8 17.316 -3.156 -13.300 1.00 0.00 N ATOM 119 CA ALA A 8 18.773 -3.136 -13.219 1.00 0.00 C ATOM 120 C ALA A 8 19.244 -1.702 -13.282 1.00 0.00 C ATOM 121 O ALA A 8 20.216 -1.310 -12.634 1.00 0.00 O ATOM 122 CB ALA A 8 19.384 -3.919 -14.379 1.00 0.00 C ATOM 0 H ALA A 8 16.937 -3.792 -14.002 1.00 0.00 H new ATOM 0 HA ALA A 8 19.086 -3.598 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.471 -3.893 -14.303 1.00 0.00 H new ATOM 0 HB2 ALA A 8 19.042 -4.953 -14.340 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.076 -3.470 -15.323 1.00 0.00 H new ATOM 128 N ASN A 9 18.520 -0.926 -14.066 1.00 0.00 N ATOM 129 CA ASN A 9 18.809 0.481 -14.232 1.00 0.00 C ATOM 130 C ASN A 9 17.600 1.283 -13.805 1.00 0.00 C ATOM 131 O ASN A 9 16.486 0.770 -13.777 1.00 0.00 O ATOM 132 CB ASN A 9 19.097 0.797 -15.700 1.00 0.00 C ATOM 133 CG ASN A 9 20.598 0.902 -15.942 1.00 0.00 C ATOM 134 OD1 ASN A 9 21.322 1.505 -15.147 1.00 0.00 O ATOM 135 ND2 ASN A 9 21.113 0.357 -17.007 1.00 0.00 N ATOM 0 H ASN A 9 17.718 -1.254 -14.603 1.00 0.00 H new ATOM 0 HA ASN A 9 19.680 0.735 -13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.675 0.018 -16.335 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.612 1.733 -15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 9 22.115 0.429 -17.183 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.514 -0.142 -17.665 1.00 0.00 H new ATOM 142 N PRO A 10 17.779 2.529 -13.518 1.00 0.00 N ATOM 143 CA PRO A 10 16.664 3.420 -13.138 1.00 0.00 C ATOM 144 C PRO A 10 15.961 3.902 -14.391 1.00 0.00 C ATOM 145 O PRO A 10 14.742 3.877 -14.483 1.00 0.00 O ATOM 146 CB PRO A 10 17.367 4.561 -12.420 1.00 0.00 C ATOM 147 CG PRO A 10 18.675 4.659 -13.116 1.00 0.00 C ATOM 148 CD PRO A 10 19.066 3.240 -13.516 1.00 0.00 C ATOM 0 HA PRO A 10 15.901 2.949 -12.518 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.802 5.490 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.493 4.349 -11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.599 5.301 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.429 5.099 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.543 3.214 -14.496 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.769 2.800 -12.808 1.00 0.00 H new ATOM 156 N ARG A 11 16.754 4.316 -15.374 1.00 0.00 N ATOM 157 CA ARG A 11 16.205 4.782 -16.639 1.00 0.00 C ATOM 158 C ARG A 11 15.140 3.806 -17.101 1.00 0.00 C ATOM 159 O ARG A 11 13.986 4.180 -17.307 1.00 0.00 O ATOM 160 CB ARG A 11 17.309 4.889 -17.694 1.00 0.00 C ATOM 161 CG ARG A 11 18.583 5.442 -17.059 1.00 0.00 C ATOM 162 CD ARG A 11 19.149 6.543 -17.951 1.00 0.00 C ATOM 163 NE ARG A 11 19.479 7.720 -17.152 1.00 0.00 N ATOM 164 CZ ARG A 11 19.401 8.948 -17.661 1.00 0.00 C ATOM 165 NH1 ARG A 11 18.999 9.126 -18.888 1.00 0.00 N ATOM 166 NH2 ARG A 11 19.697 9.979 -16.927 1.00 0.00 N ATOM 0 H ARG A 11 17.772 4.338 -15.319 1.00 0.00 H new ATOM 0 HA ARG A 11 15.767 5.770 -16.501 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.505 3.909 -18.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.986 5.539 -18.507 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.367 5.836 -16.066 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.317 4.646 -16.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.040 6.182 -18.465 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.423 6.808 -18.719 1.00 0.00 H new ATOM 0 HE ARG A 11 19.776 7.599 -16.184 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.743 8.323 -19.462 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.941 10.068 -19.274 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.990 9.848 -15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.636 10.919 -17.319 1.00 0.00 H new ATOM 180 N VAL A 12 15.525 2.543 -17.227 1.00 0.00 N ATOM 181 CA VAL A 12 14.578 1.523 -17.631 1.00 0.00 C ATOM 182 C VAL A 12 13.384 1.562 -16.695 1.00 0.00 C ATOM 183 O VAL A 12 12.252 1.295 -17.096 1.00 0.00 O ATOM 184 CB VAL A 12 15.223 0.129 -17.585 1.00 0.00 C ATOM 185 CG1 VAL A 12 16.439 0.082 -18.497 1.00 0.00 C ATOM 186 CG2 VAL A 12 15.664 -0.217 -16.161 1.00 0.00 C ATOM 0 H VAL A 12 16.473 2.207 -17.057 1.00 0.00 H new ATOM 0 HA VAL A 12 14.261 1.720 -18.655 1.00 0.00 H new ATOM 0 HB VAL A 12 14.480 -0.594 -17.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.887 -0.911 -18.455 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.135 0.300 -19.521 1.00 0.00 H new ATOM 0 HG13 VAL A 12 17.168 0.823 -18.170 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.118 -1.208 -16.151 1.00 0.00 H new ATOM 0 HG22 VAL A 12 16.391 0.518 -15.816 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.798 -0.208 -15.500 1.00 0.00 H new ATOM 196 N ALA A 13 13.660 1.895 -15.436 1.00 0.00 N ATOM 197 CA ALA A 13 12.623 1.966 -14.427 1.00 0.00 C ATOM 198 C ALA A 13 11.713 3.150 -14.705 1.00 0.00 C ATOM 199 O ALA A 13 10.537 2.986 -15.018 1.00 0.00 O ATOM 200 CB ALA A 13 13.256 2.151 -13.043 1.00 0.00 C ATOM 0 H ALA A 13 14.596 2.119 -15.097 1.00 0.00 H new ATOM 0 HA ALA A 13 12.047 1.041 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.471 2.204 -12.288 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.911 1.307 -12.827 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.836 3.074 -13.029 1.00 0.00 H new ATOM 206 N GLN A 14 12.282 4.348 -14.595 1.00 0.00 N ATOM 207 CA GLN A 14 11.519 5.563 -14.840 1.00 0.00 C ATOM 208 C GLN A 14 10.870 5.474 -16.220 1.00 0.00 C ATOM 209 O GLN A 14 9.696 5.797 -16.381 1.00 0.00 O ATOM 210 CB GLN A 14 12.387 6.840 -14.763 1.00 0.00 C ATOM 211 CG GLN A 14 13.677 6.623 -13.948 1.00 0.00 C ATOM 212 CD GLN A 14 13.517 7.110 -12.521 1.00 0.00 C ATOM 213 OE1 GLN A 14 12.867 8.125 -12.261 1.00 0.00 O ATOM 214 NE2 GLN A 14 14.083 6.429 -11.574 1.00 0.00 N ATOM 0 H GLN A 14 13.258 4.500 -14.341 1.00 0.00 H new ATOM 0 HA GLN A 14 10.764 5.640 -14.057 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.647 7.161 -15.772 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.806 7.645 -14.312 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.934 5.564 -13.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.503 7.151 -14.424 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.619 5.591 -11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.993 6.732 -10.604 1.00 0.00 H new ATOM 223 N ALA A 15 11.639 5.020 -17.208 1.00 0.00 N ATOM 224 CA ALA A 15 11.126 4.885 -18.571 1.00 0.00 C ATOM 225 C ALA A 15 9.966 3.893 -18.612 1.00 0.00 C ATOM 226 O ALA A 15 8.982 4.099 -19.329 1.00 0.00 O ATOM 227 CB ALA A 15 12.237 4.406 -19.510 1.00 0.00 C ATOM 0 H ALA A 15 12.613 4.741 -17.092 1.00 0.00 H new ATOM 0 HA ALA A 15 10.771 5.862 -18.899 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.842 4.310 -20.521 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.053 5.129 -19.506 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.608 3.438 -19.171 1.00 0.00 H new ATOM 233 N PHE A 16 10.092 2.818 -17.845 1.00 0.00 N ATOM 234 CA PHE A 16 9.051 1.796 -17.793 1.00 0.00 C ATOM 235 C PHE A 16 7.839 2.332 -17.082 1.00 0.00 C ATOM 236 O PHE A 16 6.753 2.398 -17.649 1.00 0.00 O ATOM 237 CB PHE A 16 9.556 0.572 -17.050 1.00 0.00 C ATOM 238 CG PHE A 16 8.421 -0.378 -16.740 1.00 0.00 C ATOM 239 CD1 PHE A 16 7.820 -1.113 -17.765 1.00 0.00 C ATOM 240 CD2 PHE A 16 8.019 -0.570 -15.416 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.817 -2.043 -17.464 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.010 -1.496 -15.118 1.00 0.00 C ATOM 243 CZ PHE A 16 6.415 -2.238 -16.142 1.00 0.00 C ATOM 0 H PHE A 16 10.900 2.630 -17.252 1.00 0.00 H new ATOM 0 HA PHE A 16 8.787 1.520 -18.814 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.309 0.062 -17.651 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.042 0.879 -16.124 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.129 -0.964 -18.789 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.485 -0.005 -14.622 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.353 -2.611 -18.257 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.692 -1.636 -14.096 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.646 -2.960 -15.911 1.00 0.00 H new ATOM 253 N VAL A 17 8.024 2.723 -15.836 1.00 0.00 N ATOM 254 CA VAL A 17 6.919 3.257 -15.078 1.00 0.00 C ATOM 255 C VAL A 17 6.315 4.402 -15.865 1.00 0.00 C ATOM 256 O VAL A 17 5.101 4.518 -15.966 1.00 0.00 O ATOM 257 CB VAL A 17 7.401 3.730 -13.714 1.00 0.00 C ATOM 258 CG1 VAL A 17 8.216 2.613 -13.067 1.00 0.00 C ATOM 259 CG2 VAL A 17 8.285 4.953 -13.887 1.00 0.00 C ATOM 0 H VAL A 17 8.913 2.681 -15.338 1.00 0.00 H new ATOM 0 HA VAL A 17 6.164 2.488 -14.914 1.00 0.00 H new ATOM 0 HB VAL A 17 6.546 3.984 -13.087 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.568 2.939 -12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.592 1.727 -12.951 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.072 2.374 -13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.631 5.293 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.144 4.696 -14.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.715 5.749 -14.367 1.00 0.00 H new ATOM 269 N ASP A 18 7.180 5.223 -16.463 1.00 0.00 N ATOM 270 CA ASP A 18 6.703 6.322 -17.283 1.00 0.00 C ATOM 271 C ASP A 18 5.875 5.722 -18.401 1.00 0.00 C ATOM 272 O ASP A 18 4.765 6.169 -18.697 1.00 0.00 O ATOM 273 CB ASP A 18 7.870 7.120 -17.879 1.00 0.00 C ATOM 274 CG ASP A 18 7.346 8.092 -18.924 1.00 0.00 C ATOM 275 OD1 ASP A 18 7.236 7.700 -20.070 1.00 0.00 O ATOM 276 OD2 ASP A 18 7.059 9.218 -18.565 1.00 0.00 O ATOM 0 H ASP A 18 8.195 5.146 -16.394 1.00 0.00 H new ATOM 0 HA ASP A 18 6.115 7.008 -16.674 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.391 7.664 -17.091 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.594 6.442 -18.330 1.00 0.00 H new ATOM 281 N TYR A 19 6.421 4.668 -18.990 1.00 0.00 N ATOM 282 CA TYR A 19 5.733 3.954 -20.046 1.00 0.00 C ATOM 283 C TYR A 19 4.419 3.417 -19.487 1.00 0.00 C ATOM 284 O TYR A 19 3.337 3.756 -19.961 1.00 0.00 O ATOM 285 CB TYR A 19 6.601 2.791 -20.547 1.00 0.00 C ATOM 286 CG TYR A 19 5.725 1.592 -20.786 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.747 1.649 -21.777 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.869 0.444 -20.004 1.00 0.00 C ATOM 289 CE1 TYR A 19 3.907 0.560 -21.995 1.00 0.00 C ATOM 290 CE2 TYR A 19 5.029 -0.649 -20.224 1.00 0.00 C ATOM 291 CZ TYR A 19 4.047 -0.592 -21.218 1.00 0.00 C ATOM 292 OH TYR A 19 3.221 -1.673 -21.430 1.00 0.00 O ATOM 0 H TYR A 19 7.339 4.291 -18.752 1.00 0.00 H new ATOM 0 HA TYR A 19 5.538 4.625 -20.883 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.113 3.073 -21.467 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.372 2.554 -19.814 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.640 2.540 -22.378 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.625 0.402 -19.234 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.149 0.606 -22.763 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.138 -1.541 -19.625 1.00 0.00 H new ATOM 0 HH TYR A 19 2.858 -1.634 -22.339 1.00 0.00 H new ATOM 302 N MET A 20 4.525 2.590 -18.460 1.00 0.00 N ATOM 303 CA MET A 20 3.350 2.028 -17.826 1.00 0.00 C ATOM 304 C MET A 20 2.404 3.162 -17.474 1.00 0.00 C ATOM 305 O MET A 20 1.198 3.095 -17.719 1.00 0.00 O ATOM 306 CB MET A 20 3.753 1.261 -16.579 1.00 0.00 C ATOM 307 CG MET A 20 4.625 0.074 -16.992 1.00 0.00 C ATOM 308 SD MET A 20 3.608 -1.143 -17.860 1.00 0.00 S ATOM 309 CE MET A 20 2.592 -1.637 -16.454 1.00 0.00 C ATOM 0 H MET A 20 5.411 2.295 -18.050 1.00 0.00 H new ATOM 0 HA MET A 20 2.851 1.335 -18.503 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.299 1.911 -15.896 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.868 0.912 -16.048 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.437 0.412 -17.636 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.083 -0.379 -16.113 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.722 -2.703 -16.268 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.896 -1.075 -15.571 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.544 -1.431 -16.672 1.00 0.00 H new ATOM 319 N ALA A 21 2.981 4.222 -16.930 1.00 0.00 N ATOM 320 CA ALA A 21 2.221 5.401 -16.575 1.00 0.00 C ATOM 321 C ALA A 21 1.553 5.938 -17.829 1.00 0.00 C ATOM 322 O ALA A 21 0.427 6.438 -17.787 1.00 0.00 O ATOM 323 CB ALA A 21 3.152 6.453 -15.981 1.00 0.00 C ATOM 0 H ALA A 21 3.978 4.286 -16.726 1.00 0.00 H new ATOM 0 HA ALA A 21 1.463 5.152 -15.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.576 7.340 -15.715 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.633 6.051 -15.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.913 6.721 -16.714 1.00 0.00 H new ATOM 329 N THR A 22 2.243 5.780 -18.958 1.00 0.00 N ATOM 330 CA THR A 22 1.709 6.195 -20.232 1.00 0.00 C ATOM 331 C THR A 22 0.513 5.296 -20.520 1.00 0.00 C ATOM 332 O THR A 22 -0.497 5.726 -21.077 1.00 0.00 O ATOM 333 CB THR A 22 2.814 6.053 -21.297 1.00 0.00 C ATOM 334 OG1 THR A 22 3.047 7.310 -21.927 1.00 0.00 O ATOM 335 CG2 THR A 22 2.421 5.020 -22.346 1.00 0.00 C ATOM 0 H THR A 22 3.174 5.366 -19.005 1.00 0.00 H new ATOM 0 HA THR A 22 1.385 7.236 -20.235 1.00 0.00 H new ATOM 0 HB THR A 22 3.727 5.720 -20.803 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.751 7.212 -22.601 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.215 4.935 -23.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.269 4.053 -21.866 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.498 5.331 -22.835 1.00 0.00 H new ATOM 343 N GLN A 23 0.634 4.049 -20.071 1.00 0.00 N ATOM 344 CA GLN A 23 -0.442 3.076 -20.210 1.00 0.00 C ATOM 345 C GLN A 23 -1.496 3.368 -19.158 1.00 0.00 C ATOM 346 O GLN A 23 -2.498 2.656 -19.035 1.00 0.00 O ATOM 347 CB GLN A 23 0.086 1.656 -20.010 1.00 0.00 C ATOM 348 CG GLN A 23 1.176 1.349 -21.042 1.00 0.00 C ATOM 349 CD GLN A 23 0.595 1.420 -22.450 1.00 0.00 C ATOM 350 OE1 GLN A 23 0.083 0.430 -22.960 1.00 0.00 O ATOM 351 NE2 GLN A 23 0.647 2.534 -23.116 1.00 0.00 N ATOM 0 H GLN A 23 1.469 3.690 -19.607 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.866 3.151 -21.211 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.487 1.548 -19.002 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.730 0.939 -20.107 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.995 2.061 -20.941 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.591 0.358 -20.861 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.072 3.360 -22.695 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.263 2.582 -24.060 1.00 0.00 H new ATOM 360 N GLY A 24 -1.232 4.410 -18.378 1.00 0.00 N ATOM 361 CA GLY A 24 -2.113 4.805 -17.299 1.00 0.00 C ATOM 362 C GLY A 24 -1.833 3.936 -16.095 1.00 0.00 C ATOM 363 O GLY A 24 -2.443 4.084 -15.033 1.00 0.00 O ATOM 0 H GLY A 24 -0.405 4.998 -18.479 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.957 5.855 -17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.154 4.701 -17.605 1.00 0.00 H new ATOM 367 N VAL A 25 -0.872 3.051 -16.279 1.00 0.00 N ATOM 368 CA VAL A 25 -0.432 2.153 -15.237 1.00 0.00 C ATOM 369 C VAL A 25 0.676 2.842 -14.484 1.00 0.00 C ATOM 370 O VAL A 25 1.808 2.942 -14.952 1.00 0.00 O ATOM 371 CB VAL A 25 0.049 0.858 -15.886 1.00 0.00 C ATOM 372 CG1 VAL A 25 0.225 -0.212 -14.829 1.00 0.00 C ATOM 373 CG2 VAL A 25 -0.985 0.389 -16.917 1.00 0.00 C ATOM 0 H VAL A 25 -0.374 2.937 -17.162 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.234 1.905 -14.542 1.00 0.00 H new ATOM 0 HB VAL A 25 1.004 1.037 -16.379 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.568 -1.134 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.961 0.118 -14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.728 -0.391 -14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.642 -0.536 -17.381 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.940 0.214 -16.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.109 1.155 -17.683 1.00 0.00 H new ATOM 383 N ILE A 26 0.316 3.377 -13.344 1.00 0.00 N ATOM 384 CA ILE A 26 1.242 4.141 -12.557 1.00 0.00 C ATOM 385 C ILE A 26 2.202 3.286 -11.753 1.00 0.00 C ATOM 386 O ILE A 26 1.826 2.643 -10.776 1.00 0.00 O ATOM 387 CB ILE A 26 0.474 5.042 -11.603 1.00 0.00 C ATOM 388 CG1 ILE A 26 -0.766 5.626 -12.303 1.00 0.00 C ATOM 389 CG2 ILE A 26 1.403 6.157 -11.165 1.00 0.00 C ATOM 390 CD1 ILE A 26 -1.965 4.712 -12.036 1.00 0.00 C ATOM 0 H ILE A 26 -0.618 3.295 -12.942 1.00 0.00 H new ATOM 0 HA ILE A 26 1.839 4.722 -13.260 1.00 0.00 H new ATOM 0 HB ILE A 26 0.134 4.473 -10.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.969 6.631 -11.933 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.588 5.711 -13.375 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.877 6.820 -10.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.272 5.731 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.729 6.723 -12.038 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.849 5.118 -12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.757 3.716 -12.427 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.144 4.651 -10.963 1.00 0.00 H new ATOM 402 N LEU A 27 3.460 3.363 -12.140 1.00 0.00 N ATOM 403 CA LEU A 27 4.520 2.685 -11.430 1.00 0.00 C ATOM 404 C LEU A 27 5.312 3.757 -10.721 1.00 0.00 C ATOM 405 O LEU A 27 4.849 4.893 -10.614 1.00 0.00 O ATOM 406 CB LEU A 27 5.437 1.927 -12.371 1.00 0.00 C ATOM 407 CG LEU A 27 4.965 0.493 -12.504 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.693 0.213 -13.974 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.061 -0.437 -11.982 1.00 0.00 C ATOM 0 H LEU A 27 3.773 3.895 -12.952 1.00 0.00 H new ATOM 0 HA LEU A 27 4.095 1.955 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.448 2.408 -13.349 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.459 1.949 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 27 4.055 0.328 -11.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.352 -0.816 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.924 0.894 -14.338 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.608 0.359 -14.548 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.733 -1.473 -12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.970 -0.292 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.262 -0.210 -10.935 1.00 0.00 H new ATOM 421 N THR A 28 6.501 3.422 -10.277 1.00 0.00 N ATOM 422 CA THR A 28 7.352 4.390 -9.611 1.00 0.00 C ATOM 423 C THR A 28 8.651 3.719 -9.207 1.00 0.00 C ATOM 424 O THR A 28 8.719 2.496 -9.107 1.00 0.00 O ATOM 425 CB THR A 28 6.651 4.965 -8.364 1.00 0.00 C ATOM 426 OG1 THR A 28 5.687 5.931 -8.756 1.00 0.00 O ATOM 427 CG2 THR A 28 7.664 5.632 -7.425 1.00 0.00 C ATOM 0 H THR A 28 6.904 2.489 -10.363 1.00 0.00 H new ATOM 0 HA THR A 28 7.558 5.211 -10.298 1.00 0.00 H new ATOM 0 HB THR A 28 6.167 4.141 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.435 5.781 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.145 6.030 -6.553 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.402 4.897 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.166 6.444 -7.950 1.00 0.00 H new ATOM 435 N ILE A 29 9.666 4.527 -8.974 1.00 0.00 N ATOM 436 CA ILE A 29 10.968 4.025 -8.571 1.00 0.00 C ATOM 437 C ILE A 29 11.141 4.268 -7.078 1.00 0.00 C ATOM 438 O ILE A 29 11.106 5.409 -6.625 1.00 0.00 O ATOM 439 CB ILE A 29 12.047 4.748 -9.390 1.00 0.00 C ATOM 440 CG1 ILE A 29 11.412 5.224 -10.701 1.00 0.00 C ATOM 441 CG2 ILE A 29 13.201 3.797 -9.725 1.00 0.00 C ATOM 442 CD1 ILE A 29 11.009 4.003 -11.537 1.00 0.00 C ATOM 0 H ILE A 29 9.615 5.542 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 29 11.056 2.955 -8.757 1.00 0.00 H new ATOM 0 HB ILE A 29 12.437 5.585 -8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.538 5.842 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.116 5.844 -11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.954 4.329 -10.306 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.648 3.428 -8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.822 2.956 -10.306 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.556 4.335 -12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.893 3.403 -11.755 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.291 3.401 -10.980 1.00 0.00 H new ATOM 454 N GLN A 30 11.279 3.189 -6.316 1.00 0.00 N ATOM 455 CA GLN A 30 11.410 3.289 -4.867 1.00 0.00 C ATOM 456 C GLN A 30 12.870 3.276 -4.448 1.00 0.00 C ATOM 457 O GLN A 30 13.731 2.777 -5.174 1.00 0.00 O ATOM 458 CB GLN A 30 10.668 2.128 -4.192 1.00 0.00 C ATOM 459 CG GLN A 30 9.341 2.625 -3.624 1.00 0.00 C ATOM 460 CD GLN A 30 9.583 3.545 -2.430 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.726 3.916 -2.144 1.00 0.00 O ATOM 462 NE2 GLN A 30 8.575 3.941 -1.713 1.00 0.00 N ATOM 0 H GLN A 30 11.303 2.235 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 30 10.970 4.235 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.490 1.330 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.281 1.707 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.785 3.158 -4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.728 1.777 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.631 3.635 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.728 4.558 -0.915 1.00 0.00 H new ATOM 471 N GLN A 31 13.142 3.846 -3.281 1.00 0.00 N ATOM 472 CA GLN A 31 14.506 3.912 -2.768 1.00 0.00 C ATOM 473 C GLN A 31 14.929 2.571 -2.177 1.00 0.00 C ATOM 474 O GLN A 31 14.364 2.106 -1.184 1.00 0.00 O ATOM 475 CB GLN A 31 14.613 5.005 -1.702 1.00 0.00 C ATOM 476 CG GLN A 31 16.057 5.107 -1.206 1.00 0.00 C ATOM 477 CD GLN A 31 16.227 6.372 -0.380 1.00 0.00 C ATOM 478 OE1 GLN A 31 16.351 6.308 0.845 1.00 0.00 O ATOM 479 NE2 GLN A 31 16.227 7.525 -0.975 1.00 0.00 N ATOM 0 H GLN A 31 12.440 4.268 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 31 15.172 4.150 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.293 5.961 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.948 4.779 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.308 4.233 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.743 5.119 -2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.124 7.576 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.330 8.381 -0.429 1.00 0.00 H new ATOM 488 N HIS A 32 15.937 1.968 -2.786 1.00 0.00 N ATOM 489 CA HIS A 32 16.465 0.688 -2.328 1.00 0.00 C ATOM 490 C HIS A 32 17.857 0.487 -2.906 1.00 0.00 C ATOM 491 O HIS A 32 18.420 1.396 -3.512 1.00 0.00 O ATOM 492 CB HIS A 32 15.547 -0.462 -2.770 1.00 0.00 C ATOM 493 CG HIS A 32 14.818 -1.020 -1.576 1.00 0.00 C ATOM 494 ND1 HIS A 32 14.236 -0.201 -0.620 1.00 0.00 N ATOM 495 CD2 HIS A 32 14.575 -2.308 -1.165 1.00 0.00 C ATOM 496 CE1 HIS A 32 13.679 -0.996 0.313 1.00 0.00 C ATOM 497 NE2 HIS A 32 13.854 -2.293 0.027 1.00 0.00 N ATOM 0 H HIS A 32 16.411 2.346 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 32 16.514 0.691 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.831 -0.104 -3.510 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.135 -1.246 -3.248 1.00 0.00 H new ATOM 0 HD1 HIS A 32 14.231 0.819 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.895 -3.198 -1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.155 -0.633 1.185 1.00 0.00 H new ATOM 505 N ASN A 33 18.411 -0.703 -2.725 1.00 0.00 N ATOM 506 CA ASN A 33 19.744 -0.995 -3.243 1.00 0.00 C ATOM 507 C ASN A 33 19.746 -0.990 -4.770 1.00 0.00 C ATOM 508 O ASN A 33 20.802 -1.082 -5.400 1.00 0.00 O ATOM 509 CB ASN A 33 20.227 -2.351 -2.726 1.00 0.00 C ATOM 510 CG ASN A 33 21.737 -2.321 -2.527 1.00 0.00 C ATOM 511 OD1 ASN A 33 22.255 -1.451 -1.831 1.00 0.00 O ATOM 512 ND2 ASN A 33 22.479 -3.223 -3.100 1.00 0.00 N ATOM 0 H ASN A 33 17.966 -1.476 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 33 20.423 -0.217 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.732 -2.589 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.960 -3.136 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 33 23.491 -3.208 -2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 33 22.049 -3.945 -3.678 1.00 0.00 H new ATOM 519 N GLN A 34 18.559 -0.880 -5.354 1.00 0.00 N ATOM 520 CA GLN A 34 18.415 -0.856 -6.803 1.00 0.00 C ATOM 521 C GLN A 34 17.131 -0.121 -7.184 1.00 0.00 C ATOM 522 O GLN A 34 16.395 0.354 -6.315 1.00 0.00 O ATOM 523 CB GLN A 34 18.382 -2.291 -7.351 1.00 0.00 C ATOM 524 CG GLN A 34 19.598 -2.541 -8.256 1.00 0.00 C ATOM 525 CD GLN A 34 20.511 -3.590 -7.631 1.00 0.00 C ATOM 526 OE1 GLN A 34 20.584 -4.724 -8.117 1.00 0.00 O ATOM 527 NE2 GLN A 34 21.212 -3.286 -6.577 1.00 0.00 N ATOM 0 H GLN A 34 17.679 -0.806 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 34 19.267 -0.332 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 34 18.381 -3.003 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 34 17.462 -2.453 -7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.267 -2.876 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 34 20.148 -1.611 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.151 -2.350 -6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 34 21.822 -3.984 -6.152 1.00 0.00 H new ATOM 536 N SER A 35 16.867 -0.031 -8.478 1.00 0.00 N ATOM 537 CA SER A 35 15.678 0.645 -8.974 1.00 0.00 C ATOM 538 C SER A 35 14.424 -0.162 -8.662 1.00 0.00 C ATOM 539 O SER A 35 13.893 -0.852 -9.533 1.00 0.00 O ATOM 540 CB SER A 35 15.806 0.854 -10.485 1.00 0.00 C ATOM 541 OG SER A 35 17.166 0.670 -10.870 1.00 0.00 O ATOM 0 H SER A 35 17.464 -0.420 -9.208 1.00 0.00 H new ATOM 0 HA SER A 35 15.590 1.611 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.166 0.150 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.471 1.856 -10.755 1.00 0.00 H new ATOM 0 HG SER A 35 17.291 -0.243 -11.204 1.00 0.00 H new ATOM 547 N ASP A 36 13.932 -0.059 -7.426 1.00 0.00 N ATOM 548 CA ASP A 36 12.711 -0.770 -7.067 1.00 0.00 C ATOM 549 C ASP A 36 11.574 -0.086 -7.765 1.00 0.00 C ATOM 550 O ASP A 36 11.289 1.083 -7.512 1.00 0.00 O ATOM 551 CB ASP A 36 12.433 -0.746 -5.565 1.00 0.00 C ATOM 552 CG ASP A 36 12.701 -2.105 -4.933 1.00 0.00 C ATOM 553 OD1 ASP A 36 13.500 -2.852 -5.467 1.00 0.00 O ATOM 554 OD2 ASP A 36 12.098 -2.381 -3.912 1.00 0.00 O ATOM 0 H ASP A 36 14.349 0.495 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 36 12.823 -1.813 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.059 0.009 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.396 -0.458 -5.389 1.00 0.00 H new ATOM 559 N VAL A 37 10.944 -0.804 -8.649 1.00 0.00 N ATOM 560 CA VAL A 37 9.854 -0.254 -9.402 1.00 0.00 C ATOM 561 C VAL A 37 8.540 -0.708 -8.792 1.00 0.00 C ATOM 562 O VAL A 37 8.194 -1.888 -8.817 1.00 0.00 O ATOM 563 CB VAL A 37 10.043 -0.684 -10.852 1.00 0.00 C ATOM 564 CG1 VAL A 37 9.272 0.236 -11.785 1.00 0.00 C ATOM 565 CG2 VAL A 37 11.539 -0.554 -11.157 1.00 0.00 C ATOM 0 H VAL A 37 11.167 -1.775 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 37 9.833 0.835 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 37 9.682 -1.702 -10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.418 -0.086 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.211 0.197 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.633 1.258 -11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.727 -0.852 -12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.851 0.481 -11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.105 -1.199 -10.484 1.00 0.00 H new ATOM 575 N TRP A 38 7.847 0.249 -8.189 1.00 0.00 N ATOM 576 CA TRP A 38 6.589 -0.025 -7.509 1.00 0.00 C ATOM 577 C TRP A 38 5.409 0.400 -8.364 1.00 0.00 C ATOM 578 O TRP A 38 5.552 1.220 -9.269 1.00 0.00 O ATOM 579 CB TRP A 38 6.545 0.738 -6.186 1.00 0.00 C ATOM 580 CG TRP A 38 7.406 0.067 -5.172 1.00 0.00 C ATOM 581 CD1 TRP A 38 8.672 -0.375 -5.355 1.00 0.00 C ATOM 582 CD2 TRP A 38 7.063 -0.230 -3.808 1.00 0.00 C ATOM 583 NE1 TRP A 38 9.123 -0.922 -4.165 1.00 0.00 N ATOM 584 CE2 TRP A 38 8.160 -0.857 -3.180 1.00 0.00 C ATOM 585 CE3 TRP A 38 5.905 -0.005 -3.066 1.00 0.00 C ATOM 586 CZ2 TRP A 38 8.096 -1.259 -1.845 1.00 0.00 C ATOM 587 CZ3 TRP A 38 5.831 -0.396 -1.734 1.00 0.00 C ATOM 588 CH2 TRP A 38 6.924 -1.023 -1.114 1.00 0.00 C ATOM 0 H TRP A 38 8.137 1.226 -8.157 1.00 0.00 H new ATOM 0 HA TRP A 38 6.525 -1.098 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.883 1.763 -6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.519 0.791 -5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.236 -0.312 -6.274 1.00 0.00 H new ATOM 0 HE1 TRP A 38 10.052 -1.323 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.057 0.477 -3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.940 -1.747 -1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.926 -0.216 -1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.862 -1.322 -0.078 1.00 0.00 H new ATOM 599 N LEU A 39 4.242 -0.147 -8.054 1.00 0.00 N ATOM 600 CA LEU A 39 3.031 0.189 -8.782 1.00 0.00 C ATOM 601 C LEU A 39 2.102 1.003 -7.904 1.00 0.00 C ATOM 602 O LEU A 39 1.974 0.749 -6.701 1.00 0.00 O ATOM 603 CB LEU A 39 2.310 -1.075 -9.241 1.00 0.00 C ATOM 604 CG LEU A 39 0.937 -0.718 -9.804 1.00 0.00 C ATOM 605 CD1 LEU A 39 1.082 -0.027 -11.160 1.00 0.00 C ATOM 606 CD2 LEU A 39 0.158 -1.997 -9.999 1.00 0.00 C ATOM 0 H LEU A 39 4.110 -0.825 -7.303 1.00 0.00 H new ATOM 0 HA LEU A 39 3.313 0.775 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.902 -1.586 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.201 -1.765 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 39 0.426 -0.047 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.095 0.222 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.666 0.886 -11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.589 -0.695 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.828 -1.765 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.691 -2.645 -10.695 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.048 -2.506 -9.041 1.00 0.00 H new ATOM 618 N ALA A 40 1.437 1.954 -8.526 1.00 0.00 N ATOM 619 CA ALA A 40 0.477 2.792 -7.839 1.00 0.00 C ATOM 620 C ALA A 40 -0.900 2.287 -8.206 1.00 0.00 C ATOM 621 O ALA A 40 -1.756 2.065 -7.351 1.00 0.00 O ATOM 622 CB ALA A 40 0.638 4.245 -8.273 1.00 0.00 C ATOM 0 H ALA A 40 1.546 2.167 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 40 0.630 2.749 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.090 4.864 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.645 4.587 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.474 4.324 -9.348 1.00 0.00 H new ATOM 628 N ASP A 41 -1.082 2.061 -9.499 1.00 0.00 N ATOM 629 CA ASP A 41 -2.331 1.529 -10.010 1.00 0.00 C ATOM 630 C ASP A 41 -2.463 0.082 -9.589 1.00 0.00 C ATOM 631 O ASP A 41 -2.581 -0.781 -10.434 1.00 0.00 O ATOM 632 CB ASP A 41 -2.337 1.580 -11.542 1.00 0.00 C ATOM 633 CG ASP A 41 -3.768 1.688 -12.057 1.00 0.00 C ATOM 634 OD1 ASP A 41 -4.640 1.052 -11.488 1.00 0.00 O ATOM 635 OD2 ASP A 41 -3.978 2.403 -13.017 1.00 0.00 O ATOM 0 H ASP A 41 -0.376 2.239 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.154 2.124 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.753 2.433 -11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.864 0.685 -11.945 1.00 0.00 H new ATOM 640 N GLU A 42 -2.399 -0.187 -8.296 1.00 0.00 N ATOM 641 CA GLU A 42 -2.478 -1.557 -7.809 1.00 0.00 C ATOM 642 C GLU A 42 -3.406 -2.415 -8.655 1.00 0.00 C ATOM 643 O GLU A 42 -3.131 -3.590 -8.875 1.00 0.00 O ATOM 644 CB GLU A 42 -2.885 -1.560 -6.345 1.00 0.00 C ATOM 645 CG GLU A 42 -1.613 -1.343 -5.525 1.00 0.00 C ATOM 646 CD GLU A 42 -1.935 -0.833 -4.125 1.00 0.00 C ATOM 647 OE1 GLU A 42 -2.993 -1.154 -3.621 1.00 0.00 O ATOM 648 OE2 GLU A 42 -1.114 -0.121 -3.573 1.00 0.00 O ATOM 0 H GLU A 42 -2.293 0.519 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.489 -2.007 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.611 -0.772 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.359 -2.505 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.059 -2.279 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.967 -0.628 -6.035 1.00 0.00 H new ATOM 655 N SER A 43 -4.463 -1.826 -9.179 1.00 0.00 N ATOM 656 CA SER A 43 -5.360 -2.565 -10.055 1.00 0.00 C ATOM 657 C SER A 43 -4.536 -3.246 -11.145 1.00 0.00 C ATOM 658 O SER A 43 -4.894 -4.298 -11.683 1.00 0.00 O ATOM 659 CB SER A 43 -6.312 -1.581 -10.710 1.00 0.00 C ATOM 660 OG SER A 43 -6.217 -0.328 -10.035 1.00 0.00 O ATOM 0 H SER A 43 -4.722 -0.853 -9.019 1.00 0.00 H new ATOM 0 HA SER A 43 -5.915 -3.310 -9.485 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.064 -1.461 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.334 -1.957 -10.664 1.00 0.00 H new ATOM 0 HG SER A 43 -5.947 0.367 -10.671 1.00 0.00 H new ATOM 666 N GLN A 44 -3.436 -2.588 -11.451 1.00 0.00 N ATOM 667 CA GLN A 44 -2.490 -3.010 -12.463 1.00 0.00 C ATOM 668 C GLN A 44 -1.378 -3.868 -11.858 1.00 0.00 C ATOM 669 O GLN A 44 -0.543 -4.400 -12.582 1.00 0.00 O ATOM 670 CB GLN A 44 -1.868 -1.754 -13.076 1.00 0.00 C ATOM 671 CG GLN A 44 -2.913 -0.962 -13.871 1.00 0.00 C ATOM 672 CD GLN A 44 -3.601 -1.839 -14.916 1.00 0.00 C ATOM 673 OE1 GLN A 44 -3.058 -2.861 -15.329 1.00 0.00 O ATOM 674 NE2 GLN A 44 -4.765 -1.493 -15.376 1.00 0.00 N ATOM 0 H GLN A 44 -3.168 -1.719 -10.988 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.010 -3.606 -13.213 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.452 -1.127 -12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.042 -2.034 -13.730 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.659 -0.554 -13.189 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.433 -0.116 -14.363 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.217 -0.645 -15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.227 -2.069 -16.079 1.00 0.00 H new ATOM 683 N ALA A 45 -1.354 -3.972 -10.533 1.00 0.00 N ATOM 684 CA ALA A 45 -0.316 -4.746 -9.838 1.00 0.00 C ATOM 685 C ALA A 45 0.024 -5.997 -10.595 1.00 0.00 C ATOM 686 O ALA A 45 1.109 -6.131 -11.156 1.00 0.00 O ATOM 687 CB ALA A 45 -0.832 -5.149 -8.471 1.00 0.00 C ATOM 0 H ALA A 45 -2.037 -3.533 -9.915 1.00 0.00 H new ATOM 0 HA ALA A 45 0.575 -4.124 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.067 -5.724 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.071 -4.255 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.729 -5.758 -8.586 1.00 0.00 H new ATOM 693 N GLU A 46 -0.933 -6.892 -10.610 1.00 0.00 N ATOM 694 CA GLU A 46 -0.795 -8.145 -11.306 1.00 0.00 C ATOM 695 C GLU A 46 -0.309 -7.871 -12.711 1.00 0.00 C ATOM 696 O GLU A 46 0.603 -8.521 -13.210 1.00 0.00 O ATOM 697 CB GLU A 46 -2.165 -8.805 -11.339 1.00 0.00 C ATOM 698 CG GLU A 46 -3.155 -7.864 -12.042 1.00 0.00 C ATOM 699 CD GLU A 46 -4.572 -8.370 -11.850 1.00 0.00 C ATOM 700 OE1 GLU A 46 -4.891 -9.400 -12.413 1.00 0.00 O ATOM 701 OE2 GLU A 46 -5.318 -7.729 -11.137 1.00 0.00 O ATOM 0 H GLU A 46 -1.830 -6.771 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.079 -8.800 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.112 -9.758 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.504 -9.020 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.062 -6.856 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.922 -7.804 -13.105 1.00 0.00 H new ATOM 708 N ARG A 47 -0.923 -6.874 -13.317 1.00 0.00 N ATOM 709 CA ARG A 47 -0.572 -6.464 -14.653 1.00 0.00 C ATOM 710 C ARG A 47 0.884 -6.104 -14.700 1.00 0.00 C ATOM 711 O ARG A 47 1.706 -6.826 -15.239 1.00 0.00 O ATOM 712 CB ARG A 47 -1.406 -5.249 -15.033 1.00 0.00 C ATOM 713 CG ARG A 47 -1.711 -5.287 -16.515 1.00 0.00 C ATOM 714 CD ARG A 47 -1.094 -4.056 -17.153 1.00 0.00 C ATOM 715 NE ARG A 47 -1.365 -4.062 -18.584 1.00 0.00 N ATOM 716 CZ ARG A 47 -2.608 -3.956 -19.046 1.00 0.00 C ATOM 717 NH1 ARG A 47 -3.593 -3.720 -18.220 1.00 0.00 N ATOM 718 NH2 ARG A 47 -2.842 -4.087 -20.320 1.00 0.00 N ATOM 0 H ARG A 47 -1.676 -6.330 -12.895 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.765 -7.278 -15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.334 -5.238 -14.461 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.868 -4.334 -14.785 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.305 -6.193 -16.964 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.788 -5.303 -16.682 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.504 -3.154 -16.698 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.019 -4.042 -16.976 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.590 -4.149 -19.242 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.408 -3.617 -17.222 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.546 -3.639 -18.573 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.072 -4.271 -20.964 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.795 -4.006 -20.674 1.00 0.00 H new ATOM 732 N VAL A 48 1.181 -4.986 -14.100 1.00 0.00 N ATOM 733 CA VAL A 48 2.530 -4.500 -14.027 1.00 0.00 C ATOM 734 C VAL A 48 3.468 -5.617 -13.641 1.00 0.00 C ATOM 735 O VAL A 48 4.367 -5.975 -14.404 1.00 0.00 O ATOM 736 CB VAL A 48 2.547 -3.389 -13.004 1.00 0.00 C ATOM 737 CG1 VAL A 48 3.889 -2.712 -13.024 1.00 0.00 C ATOM 738 CG2 VAL A 48 1.456 -2.404 -13.378 1.00 0.00 C ATOM 0 H VAL A 48 0.493 -4.385 -13.647 1.00 0.00 H new ATOM 0 HA VAL A 48 2.866 -4.124 -14.993 1.00 0.00 H new ATOM 0 HB VAL A 48 2.373 -3.779 -12.001 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.903 -1.910 -12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.666 -3.438 -12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.072 -2.297 -14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.441 -1.587 -12.657 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.651 -2.006 -14.374 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.491 -2.911 -13.372 1.00 0.00 H new ATOM 748 N ARG A 49 3.246 -6.169 -12.463 1.00 0.00 N ATOM 749 CA ARG A 49 4.079 -7.263 -11.993 1.00 0.00 C ATOM 750 C ARG A 49 4.263 -8.277 -13.120 1.00 0.00 C ATOM 751 O ARG A 49 5.312 -8.917 -13.237 1.00 0.00 O ATOM 752 CB ARG A 49 3.449 -7.958 -10.778 1.00 0.00 C ATOM 753 CG ARG A 49 4.065 -7.449 -9.487 1.00 0.00 C ATOM 754 CD ARG A 49 3.736 -8.456 -8.392 1.00 0.00 C ATOM 755 NE ARG A 49 4.703 -9.553 -8.407 1.00 0.00 N ATOM 756 CZ ARG A 49 5.927 -9.423 -7.890 1.00 0.00 C ATOM 757 NH1 ARG A 49 6.287 -8.292 -7.334 1.00 0.00 N ATOM 758 NH2 ARG A 49 6.754 -10.425 -7.943 1.00 0.00 N ATOM 0 H ARG A 49 2.507 -5.884 -11.821 1.00 0.00 H new ATOM 0 HA ARG A 49 5.044 -6.856 -11.691 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.374 -7.780 -10.768 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.593 -9.036 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.144 -7.339 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.668 -6.466 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.749 -7.964 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.729 -8.847 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 49 4.434 -10.444 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.632 -7.511 -7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.222 -8.193 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.466 -11.302 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.691 -10.334 -7.550 1.00 0.00 H new ATOM 772 N ALA A 50 3.231 -8.390 -13.954 1.00 0.00 N ATOM 773 CA ALA A 50 3.250 -9.296 -15.095 1.00 0.00 C ATOM 774 C ALA A 50 3.982 -8.638 -16.249 1.00 0.00 C ATOM 775 O ALA A 50 4.952 -9.176 -16.786 1.00 0.00 O ATOM 776 CB ALA A 50 1.812 -9.608 -15.533 1.00 0.00 C ATOM 0 H ALA A 50 2.365 -7.859 -13.857 1.00 0.00 H new ATOM 0 HA ALA A 50 3.756 -10.219 -14.810 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.831 -10.286 -16.386 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.274 -10.077 -14.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.309 -8.683 -15.815 1.00 0.00 H new ATOM 782 N GLU A 51 3.494 -7.462 -16.612 1.00 0.00 N ATOM 783 CA GLU A 51 4.066 -6.686 -17.691 1.00 0.00 C ATOM 784 C GLU A 51 5.564 -6.813 -17.713 1.00 0.00 C ATOM 785 O GLU A 51 6.126 -7.060 -18.754 1.00 0.00 O ATOM 786 CB GLU A 51 3.666 -5.217 -17.538 1.00 0.00 C ATOM 787 CG GLU A 51 2.146 -5.084 -17.715 1.00 0.00 C ATOM 788 CD GLU A 51 1.647 -6.016 -18.814 1.00 0.00 C ATOM 789 OE1 GLU A 51 1.846 -5.697 -19.970 1.00 0.00 O ATOM 790 OE2 GLU A 51 1.074 -7.040 -18.488 1.00 0.00 O ATOM 0 H GLU A 51 2.690 -7.022 -16.164 1.00 0.00 H new ATOM 0 HA GLU A 51 3.680 -7.071 -18.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.963 -4.848 -16.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.185 -4.608 -18.278 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.644 -5.319 -16.777 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.893 -4.053 -17.963 1.00 0.00 H new ATOM 797 N LEU A 52 6.218 -6.650 -16.577 1.00 0.00 N ATOM 798 CA LEU A 52 7.668 -6.755 -16.551 1.00 0.00 C ATOM 799 C LEU A 52 8.164 -7.796 -17.556 1.00 0.00 C ATOM 800 O LEU A 52 8.751 -7.441 -18.580 1.00 0.00 O ATOM 801 CB LEU A 52 8.147 -7.085 -15.150 1.00 0.00 C ATOM 802 CG LEU A 52 8.253 -5.819 -14.280 1.00 0.00 C ATOM 803 CD1 LEU A 52 9.466 -5.000 -14.705 1.00 0.00 C ATOM 804 CD2 LEU A 52 7.000 -4.941 -14.381 1.00 0.00 C ATOM 0 H LEU A 52 5.781 -6.449 -15.678 1.00 0.00 H new ATOM 0 HA LEU A 52 8.085 -5.791 -16.841 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.459 -7.791 -14.685 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.119 -7.575 -15.202 1.00 0.00 H new ATOM 0 HG LEU A 52 8.355 -6.146 -13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.536 -4.105 -14.086 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.369 -5.597 -14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.361 -4.710 -15.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.121 -4.060 -13.750 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.856 -4.630 -15.416 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.131 -5.508 -14.049 1.00 0.00 H new ATOM 816 N ALA A 53 7.914 -9.070 -17.284 1.00 0.00 N ATOM 817 CA ALA A 53 8.345 -10.132 -18.197 1.00 0.00 C ATOM 818 C ALA A 53 7.914 -9.844 -19.620 1.00 0.00 C ATOM 819 O ALA A 53 8.529 -10.332 -20.558 1.00 0.00 O ATOM 820 CB ALA A 53 7.744 -11.470 -17.795 1.00 0.00 C ATOM 0 H ALA A 53 7.422 -9.395 -16.452 1.00 0.00 H new ATOM 0 HA ALA A 53 9.433 -10.171 -18.139 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.079 -12.242 -18.488 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.065 -11.725 -16.785 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.656 -11.404 -17.824 1.00 0.00 H new ATOM 826 N ARG A 54 6.864 -9.061 -19.774 1.00 0.00 N ATOM 827 CA ARG A 54 6.367 -8.721 -21.102 1.00 0.00 C ATOM 828 C ARG A 54 7.040 -7.442 -21.556 1.00 0.00 C ATOM 829 O ARG A 54 7.708 -7.407 -22.586 1.00 0.00 O ATOM 830 CB ARG A 54 4.845 -8.543 -21.071 1.00 0.00 C ATOM 831 CG ARG A 54 4.230 -9.545 -20.079 1.00 0.00 C ATOM 832 CD ARG A 54 2.768 -9.187 -19.818 1.00 0.00 C ATOM 833 NE ARG A 54 1.903 -9.844 -20.791 1.00 0.00 N ATOM 834 CZ ARG A 54 0.604 -9.568 -20.859 1.00 0.00 C ATOM 835 NH1 ARG A 54 0.077 -8.676 -20.060 1.00 0.00 N ATOM 836 NH2 ARG A 54 -0.139 -10.179 -21.738 1.00 0.00 N ATOM 0 H ARG A 54 6.338 -8.648 -19.004 1.00 0.00 H new ATOM 0 HA ARG A 54 6.597 -9.526 -21.800 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.594 -7.524 -20.777 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.430 -8.700 -22.067 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.300 -10.556 -20.480 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.789 -9.533 -19.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.487 -9.490 -18.809 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.636 -8.107 -19.875 1.00 0.00 H new ATOM 0 HE ARG A 54 2.302 -10.529 -21.432 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.663 -8.189 -19.382 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.920 -8.467 -20.115 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.276 -10.864 -22.369 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.136 -9.972 -21.795 1.00 0.00 H new ATOM 850 N PHE A 55 6.894 -6.413 -20.742 1.00 0.00 N ATOM 851 CA PHE A 55 7.510 -5.136 -21.004 1.00 0.00 C ATOM 852 C PHE A 55 8.969 -5.359 -21.357 1.00 0.00 C ATOM 853 O PHE A 55 9.533 -4.655 -22.172 1.00 0.00 O ATOM 854 CB PHE A 55 7.346 -4.242 -19.764 1.00 0.00 C ATOM 855 CG PHE A 55 8.657 -3.675 -19.285 1.00 0.00 C ATOM 856 CD1 PHE A 55 9.495 -3.024 -20.170 1.00 0.00 C ATOM 857 CD2 PHE A 55 9.030 -3.826 -17.954 1.00 0.00 C ATOM 858 CE1 PHE A 55 10.726 -2.524 -19.738 1.00 0.00 C ATOM 859 CE2 PHE A 55 10.251 -3.327 -17.510 1.00 0.00 C ATOM 860 CZ PHE A 55 11.109 -2.681 -18.405 1.00 0.00 C ATOM 0 H PHE A 55 6.345 -6.444 -19.883 1.00 0.00 H new ATOM 0 HA PHE A 55 7.034 -4.633 -21.846 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.664 -3.425 -19.997 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.889 -4.820 -18.961 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.197 -2.901 -21.201 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.371 -4.331 -17.264 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.379 -2.018 -20.433 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.536 -3.439 -16.474 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.063 -2.305 -18.067 1.00 0.00 H new ATOM 870 N LEU A 56 9.569 -6.360 -20.744 1.00 0.00 N ATOM 871 CA LEU A 56 10.962 -6.671 -21.010 1.00 0.00 C ATOM 872 C LEU A 56 11.134 -7.135 -22.444 1.00 0.00 C ATOM 873 O LEU A 56 12.030 -6.669 -23.155 1.00 0.00 O ATOM 874 CB LEU A 56 11.421 -7.767 -20.055 1.00 0.00 C ATOM 875 CG LEU A 56 11.787 -7.177 -18.688 1.00 0.00 C ATOM 876 CD1 LEU A 56 11.244 -5.752 -18.555 1.00 0.00 C ATOM 877 CD2 LEU A 56 11.174 -8.055 -17.599 1.00 0.00 C ATOM 0 H LEU A 56 9.118 -6.970 -20.062 1.00 0.00 H new ATOM 0 HA LEU A 56 11.564 -5.775 -20.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.630 -8.508 -19.937 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.283 -8.285 -20.476 1.00 0.00 H new ATOM 0 HG LEU A 56 12.872 -7.146 -18.588 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.513 -5.350 -17.578 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.673 -5.125 -19.337 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.159 -5.765 -18.655 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.425 -7.648 -16.619 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.090 -8.076 -17.716 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.568 -9.068 -17.683 1.00 0.00 H new ATOM 889 N GLU A 57 10.279 -8.050 -22.870 1.00 0.00 N ATOM 890 CA GLU A 57 10.361 -8.560 -24.228 1.00 0.00 C ATOM 891 C GLU A 57 9.584 -7.664 -25.175 1.00 0.00 C ATOM 892 O GLU A 57 9.685 -7.806 -26.395 1.00 0.00 O ATOM 893 CB GLU A 57 9.801 -9.987 -24.329 1.00 0.00 C ATOM 894 CG GLU A 57 9.529 -10.581 -22.941 1.00 0.00 C ATOM 895 CD GLU A 57 9.816 -12.073 -22.967 1.00 0.00 C ATOM 896 OE1 GLU A 57 9.018 -12.799 -23.527 1.00 0.00 O ATOM 897 OE2 GLU A 57 10.834 -12.469 -22.432 1.00 0.00 O ATOM 0 H GLU A 57 9.530 -8.450 -22.304 1.00 0.00 H new ATOM 0 HA GLU A 57 11.415 -8.574 -24.505 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.878 -9.977 -24.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.508 -10.620 -24.865 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.155 -10.092 -22.195 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.493 -10.404 -22.654 1.00 0.00 H new ATOM 904 N ASN A 58 8.794 -6.751 -24.622 1.00 0.00 N ATOM 905 CA ASN A 58 8.008 -5.874 -25.475 1.00 0.00 C ATOM 906 C ASN A 58 7.581 -4.598 -24.774 1.00 0.00 C ATOM 907 O ASN A 58 6.388 -4.343 -24.606 1.00 0.00 O ATOM 908 CB ASN A 58 6.765 -6.607 -25.981 1.00 0.00 C ATOM 909 CG ASN A 58 6.899 -6.873 -27.473 1.00 0.00 C ATOM 910 OD1 ASN A 58 7.141 -5.946 -28.251 1.00 0.00 O ATOM 911 ND2 ASN A 58 6.763 -8.084 -27.926 1.00 0.00 N ATOM 0 H ASN A 58 8.683 -6.602 -23.619 1.00 0.00 H new ATOM 0 HA ASN A 58 8.651 -5.593 -26.309 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.641 -7.547 -25.444 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.874 -6.010 -25.787 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.856 -8.268 -28.925 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.563 -8.850 -27.283 1.00 0.00 H new ATOM 918 N PRO A 59 8.508 -3.765 -24.410 1.00 0.00 N ATOM 919 CA PRO A 59 8.166 -2.472 -23.793 1.00 0.00 C ATOM 920 C PRO A 59 7.386 -1.645 -24.799 1.00 0.00 C ATOM 921 O PRO A 59 7.014 -2.152 -25.863 1.00 0.00 O ATOM 922 CB PRO A 59 9.509 -1.799 -23.473 1.00 0.00 C ATOM 923 CG PRO A 59 10.591 -2.773 -23.830 1.00 0.00 C ATOM 924 CD PRO A 59 9.950 -3.973 -24.538 1.00 0.00 C ATOM 0 HA PRO A 59 7.557 -2.580 -22.896 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.621 -0.875 -24.040 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.564 -1.533 -22.417 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.328 -2.300 -24.479 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.118 -3.099 -22.933 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.250 -4.020 -25.585 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.255 -4.912 -24.077 1.00 0.00 H new ATOM 932 N ALA A 60 7.168 -0.377 -24.501 1.00 0.00 N ATOM 933 CA ALA A 60 6.461 0.482 -25.439 1.00 0.00 C ATOM 934 C ALA A 60 5.008 0.041 -25.596 1.00 0.00 C ATOM 935 O ALA A 60 4.080 0.801 -25.301 1.00 0.00 O ATOM 936 CB ALA A 60 7.171 0.411 -26.798 1.00 0.00 C ATOM 0 H ALA A 60 7.462 0.076 -23.636 1.00 0.00 H new ATOM 0 HA ALA A 60 6.465 1.504 -25.060 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.653 1.050 -27.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.201 0.750 -26.688 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.164 -0.617 -27.159 1.00 0.00 H new ATOM 942 N ASP A 61 4.824 -1.187 -26.065 1.00 0.00 N ATOM 943 CA ASP A 61 3.489 -1.734 -26.271 1.00 0.00 C ATOM 944 C ASP A 61 2.883 -2.197 -24.952 1.00 0.00 C ATOM 945 O ASP A 61 3.313 -1.781 -23.876 1.00 0.00 O ATOM 946 CB ASP A 61 3.549 -2.907 -27.255 1.00 0.00 C ATOM 947 CG ASP A 61 2.246 -3.008 -28.039 1.00 0.00 C ATOM 948 OD1 ASP A 61 1.231 -3.303 -27.435 1.00 0.00 O ATOM 949 OD2 ASP A 61 2.278 -2.793 -29.234 1.00 0.00 O ATOM 0 H ASP A 61 5.583 -1.823 -26.310 1.00 0.00 H new ATOM 0 HA ASP A 61 2.857 -0.948 -26.684 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.385 -2.772 -27.942 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.728 -3.836 -26.713 1.00 0.00 H new ATOM 954 N LEU A 62 1.870 -3.040 -25.054 1.00 0.00 N ATOM 955 CA LEU A 62 1.176 -3.549 -23.890 1.00 0.00 C ATOM 956 C LEU A 62 0.677 -4.966 -24.149 1.00 0.00 C ATOM 957 O LEU A 62 0.091 -5.233 -25.202 1.00 0.00 O ATOM 958 CB LEU A 62 -0.014 -2.636 -23.609 1.00 0.00 C ATOM 959 CG LEU A 62 -0.619 -2.949 -22.243 1.00 0.00 C ATOM 960 CD1 LEU A 62 0.402 -2.673 -21.141 1.00 0.00 C ATOM 961 CD2 LEU A 62 -1.848 -2.066 -22.033 1.00 0.00 C ATOM 0 H LEU A 62 1.509 -3.388 -25.942 1.00 0.00 H new ATOM 0 HA LEU A 62 1.854 -3.571 -23.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.304 -1.594 -23.642 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.769 -2.764 -24.385 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.903 -4.001 -22.204 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.040 -2.900 -20.171 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.281 -3.299 -21.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.694 -1.623 -21.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.289 -2.281 -21.060 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.554 -1.017 -22.074 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.580 -2.269 -22.815 1.00 0.00 H new ATOM 973 N ASP A 63 0.896 -5.856 -23.181 1.00 0.00 N ATOM 974 CA ASP A 63 0.453 -7.249 -23.286 1.00 0.00 C ATOM 975 C ASP A 63 1.334 -8.047 -24.247 1.00 0.00 C ATOM 976 O ASP A 63 1.609 -7.553 -25.322 1.00 0.00 O ATOM 977 CB ASP A 63 -1.009 -7.304 -23.755 1.00 0.00 C ATOM 978 CG ASP A 63 -1.790 -8.329 -22.947 1.00 0.00 C ATOM 979 OD1 ASP A 63 -1.977 -8.103 -21.767 1.00 0.00 O ATOM 980 OD2 ASP A 63 -2.189 -9.329 -23.515 1.00 0.00 O ATOM 0 H ASP A 63 1.380 -5.637 -22.310 1.00 0.00 H new ATOM 0 HA ASP A 63 0.537 -7.699 -22.297 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.468 -6.321 -23.648 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.048 -7.561 -24.814 1.00 0.00 H new TER 985 ASP A 63