USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= 0.778 USER MOD Set 1.2: A 72 SER OG : rot 73:sc= 0.575 USER MOD Set 2.1: A 9 ASN : amide:sc= 1.08 K(o=2.3,f=-8!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -110:sc= 1.25 (180deg=-0.0024) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0697 (180deg=-0.518) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.32 (180deg=0.4) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.016) USER MOD Single : A 16 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.42) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -28:sc= 0.422 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -69:sc= 0.603 USER MOD Single : A 33 ASN : amide:sc= 0.634 K(o=0.63,f=-0.011) USER MOD Single : A 40 MET CE :methyl -165:sc= -0.0615 (180deg=-0.344) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 47 THR OG1 : rot 76:sc= 0.907 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 25:sc= 0.348 USER MOD Single : A 63 SER OG : rot 180:sc= -0.247 USER MOD Single : A 65 GLN : amide:sc=-0.00437 X(o=-0.0044,f=-0.0044) USER MOD Single : A 66 THR OG1 : rot -60:sc= 0.559 USER MOD Single : A 79 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.0036) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0.582 (180deg=0.375) USER MOD Single : A 82 SER OG : rot 87:sc= 0.524 USER MOD Single : A 83 HIS : no HE2:sc= -0.0636 K(o=-0.064,f=-2) USER MOD Single : A 84 PNS O33 : rot 180:sc= -0.0032 USER MOD Single : A 84 PNS S44 : rot 17:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.840 -8.525 -5.217 1.00 0.00 N ATOM 2 CA MET A 1 -6.384 -8.314 -5.235 1.00 0.00 C ATOM 3 C MET A 1 -5.651 -9.549 -4.728 1.00 0.00 C ATOM 4 O MET A 1 -6.205 -10.369 -3.995 1.00 0.00 O ATOM 5 CB MET A 1 -5.975 -7.076 -4.391 1.00 0.00 C ATOM 6 CG MET A 1 -6.541 -5.757 -4.916 1.00 0.00 C ATOM 7 SD MET A 1 -8.320 -5.601 -4.633 1.00 0.00 S ATOM 8 CE MET A 1 -8.385 -5.463 -2.841 1.00 0.00 C ATOM 0 H1 MET A 1 -8.319 -7.622 -5.028 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.149 -8.895 -6.139 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.083 -9.208 -4.471 1.00 0.00 H new ATOM 0 HA MET A 1 -6.098 -8.131 -6.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.310 -7.221 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.887 -7.009 -4.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.026 -4.927 -4.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.339 -5.679 -5.984 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.334 -5.016 -2.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.297 -6.454 -2.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.564 -4.835 -2.494 1.00 0.00 H new ATOM 18 N GLN A 2 -4.389 -9.659 -5.143 1.00 0.00 N ATOM 19 CA GLN A 2 -3.451 -10.659 -4.635 1.00 0.00 C ATOM 20 C GLN A 2 -2.639 -10.023 -3.521 1.00 0.00 C ATOM 21 O GLN A 2 -2.496 -10.576 -2.426 1.00 0.00 O ATOM 22 CB GLN A 2 -2.485 -11.118 -5.766 1.00 0.00 C ATOM 23 CG GLN A 2 -3.148 -11.374 -7.133 1.00 0.00 C ATOM 24 CD GLN A 2 -3.909 -12.713 -7.279 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.555 -13.221 -6.229 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -3.950 -13.282 -8.371 1.00 0.00 N flip ATOM 0 H GLN A 2 -3.984 -9.047 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.002 -11.526 -4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.712 -10.360 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.985 -12.032 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.844 -10.560 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.377 -11.332 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.454 -12.888 -9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.480 -14.147 -8.476 1.00 0.00 H new ATOM 35 N HIS A 3 -2.166 -8.806 -3.830 1.00 0.00 N ATOM 36 CA HIS A 3 -1.116 -8.130 -3.089 1.00 0.00 C ATOM 37 C HIS A 3 -1.585 -7.564 -1.740 1.00 0.00 C ATOM 38 O HIS A 3 -0.737 -7.293 -0.911 1.00 0.00 O ATOM 39 CB HIS A 3 -0.487 -7.005 -3.941 1.00 0.00 C ATOM 40 CG HIS A 3 0.269 -7.474 -5.165 1.00 0.00 C ATOM 41 ND1 HIS A 3 1.388 -8.265 -5.090 1.00 0.00 N ATOM 42 CD2 HIS A 3 0.070 -7.249 -6.486 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.840 -8.505 -6.303 1.00 0.00 C ATOM 44 NE2 HIS A 3 1.056 -7.900 -7.174 1.00 0.00 N ATOM 0 H HIS A 3 -2.516 -8.263 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.367 -8.891 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.278 -6.326 -4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.192 -6.430 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.726 -6.660 -6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.709 -9.099 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.166 -7.915 -8.188 1.00 0.00 H new ATOM 53 N LEU A 4 -2.925 -7.406 -1.530 1.00 0.00 N ATOM 54 CA LEU A 4 -3.514 -6.790 -0.294 1.00 0.00 C ATOM 55 C LEU A 4 -2.951 -7.410 0.999 1.00 0.00 C ATOM 56 O LEU A 4 -2.715 -6.716 1.997 1.00 0.00 O ATOM 57 CB LEU A 4 -5.082 -6.907 -0.267 1.00 0.00 C ATOM 58 CG LEU A 4 -5.701 -8.303 0.118 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.207 -8.195 0.407 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.416 -9.383 -0.950 1.00 0.00 C ATOM 0 H LEU A 4 -3.628 -7.700 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.230 -5.738 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.462 -6.165 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.457 -6.634 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.207 -8.620 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.599 -9.178 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.370 -7.507 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.722 -7.824 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.862 -10.328 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.845 -9.074 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.339 -9.510 -1.061 1.00 0.00 H new ATOM 72 N GLU A 5 -2.733 -8.733 0.948 1.00 0.00 N ATOM 73 CA GLU A 5 -2.317 -9.517 2.105 1.00 0.00 C ATOM 74 C GLU A 5 -0.831 -9.273 2.422 1.00 0.00 C ATOM 75 O GLU A 5 -0.444 -9.147 3.589 1.00 0.00 O ATOM 76 CB GLU A 5 -2.608 -11.012 1.868 1.00 0.00 C ATOM 77 CG GLU A 5 -2.216 -11.924 3.040 1.00 0.00 C ATOM 78 CD GLU A 5 -2.701 -13.365 2.858 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.024 -14.149 2.167 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.769 -13.711 3.398 1.00 0.00 O ATOM 0 H GLU A 5 -2.843 -9.284 0.097 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.893 -9.196 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.672 -11.136 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.074 -11.337 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.132 -11.922 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.631 -11.520 3.964 1.00 0.00 H new ATOM 87 N ALA A 6 -0.012 -9.203 1.366 1.00 0.00 N ATOM 88 CA ALA A 6 1.420 -8.866 1.471 1.00 0.00 C ATOM 89 C ALA A 6 1.623 -7.400 1.901 1.00 0.00 C ATOM 90 O ALA A 6 2.618 -7.077 2.543 1.00 0.00 O ATOM 91 CB ALA A 6 2.127 -9.168 0.141 1.00 0.00 C ATOM 0 H ALA A 6 -0.321 -9.378 0.410 1.00 0.00 H new ATOM 0 HA ALA A 6 1.867 -9.487 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.184 -8.917 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.023 -10.227 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.676 -8.574 -0.654 1.00 0.00 H new ATOM 97 N VAL A 7 0.648 -6.529 1.572 1.00 0.00 N ATOM 98 CA VAL A 7 0.670 -5.110 1.968 1.00 0.00 C ATOM 99 C VAL A 7 0.434 -4.995 3.487 1.00 0.00 C ATOM 100 O VAL A 7 1.233 -4.375 4.188 1.00 0.00 O ATOM 101 CB VAL A 7 -0.401 -4.240 1.191 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.458 -2.800 1.760 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.119 -4.199 -0.333 1.00 0.00 C ATOM 0 H VAL A 7 -0.173 -6.790 1.026 1.00 0.00 H new ATOM 0 HA VAL A 7 1.652 -4.716 1.705 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.369 -4.719 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.200 -2.221 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.733 -2.836 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.519 -2.329 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.877 -3.592 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.865 -3.765 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.146 -5.212 -0.735 1.00 0.00 H new ATOM 113 N ARG A 8 -0.637 -5.654 3.993 1.00 0.00 N ATOM 114 CA ARG A 8 -0.983 -5.616 5.439 1.00 0.00 C ATOM 115 C ARG A 8 0.091 -6.339 6.259 1.00 0.00 C ATOM 116 O ARG A 8 0.324 -5.998 7.415 1.00 0.00 O ATOM 117 CB ARG A 8 -2.387 -6.225 5.725 1.00 0.00 C ATOM 118 CG ARG A 8 -2.535 -7.728 5.421 1.00 0.00 C ATOM 119 CD ARG A 8 -3.956 -8.257 5.650 1.00 0.00 C ATOM 120 NE ARG A 8 -4.057 -9.708 5.385 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.203 -10.411 5.354 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.366 -9.829 5.618 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.175 -11.709 5.093 1.00 0.00 N ATOM 0 H ARG A 8 -1.274 -6.215 3.427 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.020 -4.568 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.628 -6.060 6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.126 -5.679 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.249 -7.912 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.841 -8.288 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.257 -8.055 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.651 -7.721 5.003 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.189 -10.216 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.399 -8.836 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.227 -10.375 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.285 -12.174 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.044 -12.243 5.069 1.00 0.00 H new ATOM 137 N ASN A 9 0.762 -7.309 5.612 1.00 0.00 N ATOM 138 CA ASN A 9 1.862 -8.073 6.198 1.00 0.00 C ATOM 139 C ASN A 9 3.034 -7.132 6.519 1.00 0.00 C ATOM 140 O ASN A 9 3.425 -6.980 7.688 1.00 0.00 O ATOM 141 CB ASN A 9 2.286 -9.182 5.200 1.00 0.00 C ATOM 142 CG ASN A 9 3.383 -10.120 5.692 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.510 -10.382 6.882 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.182 -10.640 4.770 1.00 0.00 N ATOM 0 H ASN A 9 0.547 -7.583 4.653 1.00 0.00 H new ATOM 0 HA ASN A 9 1.546 -8.541 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.408 -9.777 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.623 -8.708 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.929 -11.278 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.050 -10.401 3.787 1.00 0.00 H new ATOM 151 N ILE A 10 3.527 -6.454 5.467 1.00 0.00 N ATOM 152 CA ILE A 10 4.667 -5.524 5.553 1.00 0.00 C ATOM 153 C ILE A 10 4.353 -4.356 6.501 1.00 0.00 C ATOM 154 O ILE A 10 5.143 -4.060 7.397 1.00 0.00 O ATOM 155 CB ILE A 10 5.065 -4.976 4.128 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.516 -6.142 3.187 1.00 0.00 C ATOM 157 CG2 ILE A 10 6.160 -3.885 4.218 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.756 -5.732 1.743 1.00 0.00 C ATOM 0 H ILE A 10 3.142 -6.537 4.526 1.00 0.00 H new ATOM 0 HA ILE A 10 5.514 -6.080 5.955 1.00 0.00 H new ATOM 0 HB ILE A 10 4.177 -4.513 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.432 -6.578 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.756 -6.923 3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.406 -3.533 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.794 -3.050 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.052 -4.302 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.065 -6.602 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.836 -5.325 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.539 -4.975 1.705 1.00 0.00 H new ATOM 170 N LEU A 11 3.184 -3.720 6.297 1.00 0.00 N ATOM 171 CA LEU A 11 2.722 -2.588 7.124 1.00 0.00 C ATOM 172 C LEU A 11 2.601 -2.994 8.600 1.00 0.00 C ATOM 173 O LEU A 11 3.005 -2.246 9.473 1.00 0.00 O ATOM 174 CB LEU A 11 1.369 -1.997 6.597 1.00 0.00 C ATOM 175 CG LEU A 11 1.471 -0.887 5.498 1.00 0.00 C ATOM 176 CD1 LEU A 11 2.222 -1.361 4.241 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.076 -0.332 5.133 1.00 0.00 C ATOM 0 H LEU A 11 2.533 -3.976 5.555 1.00 0.00 H new ATOM 0 HA LEU A 11 3.475 -1.804 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.771 -2.817 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.822 -1.587 7.446 1.00 0.00 H new ATOM 0 HG LEU A 11 2.061 -0.078 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.262 -0.550 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.236 -1.655 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.701 -2.214 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.179 0.437 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.549 -1.140 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.388 0.099 6.020 1.00 0.00 H new ATOM 189 N GLY A 12 2.072 -4.193 8.871 1.00 0.00 N ATOM 190 CA GLY A 12 1.893 -4.655 10.240 1.00 0.00 C ATOM 191 C GLY A 12 3.191 -5.077 10.910 1.00 0.00 C ATOM 192 O GLY A 12 3.255 -5.163 12.137 1.00 0.00 O ATOM 0 H GLY A 12 1.763 -4.854 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.432 -3.860 10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.201 -5.497 10.244 1.00 0.00 H new ATOM 196 N ASP A 13 4.220 -5.373 10.098 1.00 0.00 N ATOM 197 CA ASP A 13 5.580 -5.641 10.594 1.00 0.00 C ATOM 198 C ASP A 13 6.272 -4.328 11.002 1.00 0.00 C ATOM 199 O ASP A 13 6.808 -4.228 12.106 1.00 0.00 O ATOM 200 CB ASP A 13 6.415 -6.415 9.523 1.00 0.00 C ATOM 201 CG ASP A 13 6.160 -7.938 9.558 1.00 0.00 C ATOM 202 OD1 ASP A 13 6.456 -8.565 10.598 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.662 -8.521 8.571 1.00 0.00 O ATOM 0 H ASP A 13 4.133 -5.433 9.083 1.00 0.00 H new ATOM 0 HA ASP A 13 5.510 -6.273 11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.172 -6.032 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.476 -6.224 9.687 1.00 0.00 H new ATOM 208 N VAL A 14 6.211 -3.319 10.108 1.00 0.00 N ATOM 209 CA VAL A 14 6.869 -2.001 10.311 1.00 0.00 C ATOM 210 C VAL A 14 6.196 -1.238 11.467 1.00 0.00 C ATOM 211 O VAL A 14 6.858 -0.750 12.390 1.00 0.00 O ATOM 212 CB VAL A 14 6.825 -1.121 9.000 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.523 0.256 9.199 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.440 -1.885 7.804 1.00 0.00 C ATOM 0 H VAL A 14 5.706 -3.390 9.225 1.00 0.00 H new ATOM 0 HA VAL A 14 7.913 -2.192 10.559 1.00 0.00 H new ATOM 0 HB VAL A 14 5.777 -0.921 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.469 0.828 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.022 0.806 9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.567 0.099 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.399 -1.259 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.478 -2.133 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.877 -2.802 7.630 1.00 0.00 H new ATOM 224 N LEU A 15 4.862 -1.188 11.409 1.00 0.00 N ATOM 225 CA LEU A 15 4.028 -0.459 12.378 1.00 0.00 C ATOM 226 C LEU A 15 3.745 -1.318 13.630 1.00 0.00 C ATOM 227 O LEU A 15 3.013 -0.879 14.524 1.00 0.00 O ATOM 228 CB LEU A 15 2.700 -0.026 11.701 1.00 0.00 C ATOM 229 CG LEU A 15 2.811 0.755 10.351 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.420 1.203 9.841 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.786 1.940 10.469 1.00 0.00 C ATOM 0 H LEU A 15 4.322 -1.656 10.681 1.00 0.00 H new ATOM 0 HA LEU A 15 4.570 0.428 12.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.102 -0.920 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.147 0.594 12.406 1.00 0.00 H new ATOM 0 HG LEU A 15 3.221 0.072 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.534 1.743 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.791 0.327 9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.954 1.855 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.841 2.462 9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.433 2.627 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.776 1.571 10.738 1.00 0.00 H new ATOM 243 N ASN A 16 4.284 -2.559 13.648 1.00 0.00 N ATOM 244 CA ASN A 16 4.304 -3.447 14.838 1.00 0.00 C ATOM 245 C ASN A 16 2.870 -3.901 15.235 1.00 0.00 C ATOM 246 O ASN A 16 2.621 -4.279 16.376 1.00 0.00 O ATOM 247 CB ASN A 16 5.079 -2.761 16.023 1.00 0.00 C ATOM 248 CG ASN A 16 5.419 -3.688 17.210 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.665 -3.792 18.183 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.547 -4.378 17.136 1.00 0.00 N ATOM 0 H ASN A 16 4.723 -2.978 12.828 1.00 0.00 H new ATOM 0 HA ASN A 16 4.847 -4.357 14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.006 -2.340 15.634 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.481 -1.928 16.393 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.808 -5.011 17.892 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.155 -4.276 16.323 1.00 0.00 H new ATOM 257 N LEU A 17 1.938 -3.905 14.253 1.00 0.00 N ATOM 258 CA LEU A 17 0.558 -4.420 14.443 1.00 0.00 C ATOM 259 C LEU A 17 0.582 -5.907 14.843 1.00 0.00 C ATOM 260 O LEU A 17 -0.163 -6.320 15.741 1.00 0.00 O ATOM 261 CB LEU A 17 -0.310 -4.204 13.158 1.00 0.00 C ATOM 262 CG LEU A 17 -1.045 -2.827 13.018 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.080 -1.638 13.138 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.856 -2.761 11.699 1.00 0.00 C ATOM 0 H LEU A 17 2.118 -3.554 13.312 1.00 0.00 H new ATOM 0 HA LEU A 17 0.099 -3.854 15.254 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.334 -4.334 12.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.060 -4.994 13.120 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.744 -2.751 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.636 -0.706 13.034 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.408 -1.663 14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.673 -1.700 12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.356 -1.795 11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.182 -2.885 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.601 -3.557 11.690 1.00 0.00 H new ATOM 276 N GLY A 18 1.478 -6.678 14.183 1.00 0.00 N ATOM 277 CA GLY A 18 1.669 -8.104 14.455 1.00 0.00 C ATOM 278 C GLY A 18 0.435 -8.959 14.189 1.00 0.00 C ATOM 279 O GLY A 18 0.314 -9.584 13.135 1.00 0.00 O ATOM 0 H GLY A 18 2.086 -6.318 13.447 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.492 -8.473 13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.966 -8.228 15.496 1.00 0.00 H new ATOM 283 N GLU A 19 -0.478 -8.976 15.160 1.00 0.00 N ATOM 284 CA GLU A 19 -1.745 -9.718 15.085 1.00 0.00 C ATOM 285 C GLU A 19 -2.836 -8.849 14.413 1.00 0.00 C ATOM 286 O GLU A 19 -3.669 -9.355 13.645 1.00 0.00 O ATOM 287 CB GLU A 19 -2.169 -10.122 16.521 1.00 0.00 C ATOM 288 CG GLU A 19 -3.436 -10.991 16.599 1.00 0.00 C ATOM 289 CD GLU A 19 -3.859 -11.303 18.040 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.404 -10.401 18.718 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.625 -12.435 18.519 1.00 0.00 O ATOM 0 H GLU A 19 -0.360 -8.468 16.036 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.615 -10.615 14.480 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.346 -10.662 16.989 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.330 -9.216 17.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.253 -10.480 16.089 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.262 -11.926 16.066 1.00 0.00 H new ATOM 298 N ARG A 20 -2.781 -7.525 14.697 1.00 0.00 N ATOM 299 CA ARG A 20 -3.787 -6.531 14.238 1.00 0.00 C ATOM 300 C ARG A 20 -3.805 -6.436 12.687 1.00 0.00 C ATOM 301 O ARG A 20 -4.850 -6.150 12.086 1.00 0.00 O ATOM 302 CB ARG A 20 -3.502 -5.142 14.919 1.00 0.00 C ATOM 303 CG ARG A 20 -4.713 -4.171 15.095 1.00 0.00 C ATOM 304 CD ARG A 20 -5.207 -3.511 13.794 1.00 0.00 C ATOM 305 NE ARG A 20 -6.309 -2.556 14.036 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.462 -2.487 13.342 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.709 -3.332 12.347 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.353 -1.551 13.646 1.00 0.00 N ATOM 0 H ARG A 20 -2.033 -7.112 15.255 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.783 -6.855 14.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.074 -5.330 15.904 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.740 -4.629 14.333 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.540 -4.722 15.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.433 -3.388 15.799 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.377 -2.992 13.314 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.543 -4.283 13.102 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.185 -1.889 14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.022 -4.044 12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.586 -3.269 11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.162 -0.891 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.228 -1.492 13.126 1.00 0.00 H new ATOM 322 N LYS A 21 -2.655 -6.722 12.049 1.00 0.00 N ATOM 323 CA LYS A 21 -2.525 -6.685 10.575 1.00 0.00 C ATOM 324 C LYS A 21 -3.297 -7.841 9.900 1.00 0.00 C ATOM 325 O LYS A 21 -3.808 -7.690 8.794 1.00 0.00 O ATOM 326 CB LYS A 21 -1.043 -6.722 10.152 1.00 0.00 C ATOM 327 CG LYS A 21 -0.323 -8.042 10.455 1.00 0.00 C ATOM 328 CD LYS A 21 1.113 -8.100 9.911 1.00 0.00 C ATOM 329 CE LYS A 21 1.661 -9.522 9.887 1.00 0.00 C ATOM 330 NZ LYS A 21 3.091 -9.564 9.478 1.00 0.00 N ATOM 0 H LYS A 21 -1.796 -6.983 12.532 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.965 -5.746 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.980 -6.527 9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.515 -5.912 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.300 -8.194 11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.897 -8.865 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.135 -7.687 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.759 -7.474 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.554 -9.968 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.070 -10.126 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.169 -9.991 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.474 -8.597 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.631 -10.133 10.161 1.00 0.00 H new ATOM 344 N HIS A 22 -3.377 -8.989 10.592 1.00 0.00 N ATOM 345 CA HIS A 22 -3.994 -10.214 10.051 1.00 0.00 C ATOM 346 C HIS A 22 -5.531 -10.145 10.160 1.00 0.00 C ATOM 347 O HIS A 22 -6.250 -10.681 9.309 1.00 0.00 O ATOM 348 CB HIS A 22 -3.433 -11.452 10.803 1.00 0.00 C ATOM 349 CG HIS A 22 -3.945 -12.780 10.299 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.762 -13.610 11.030 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.738 -13.416 9.121 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.042 -14.685 10.326 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.433 -14.591 9.162 1.00 0.00 N ATOM 0 H HIS A 22 -3.017 -9.096 11.540 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.745 -10.304 8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.346 -11.444 10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.680 -11.360 11.861 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.134 -13.059 8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.666 -15.506 10.648 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.474 -15.283 8.413 1.00 0.00 H new ATOM 362 N THR A 23 -6.019 -9.452 11.206 1.00 0.00 N ATOM 363 CA THR A 23 -7.464 -9.369 11.521 1.00 0.00 C ATOM 364 C THR A 23 -8.174 -8.240 10.741 1.00 0.00 C ATOM 365 O THR A 23 -9.403 -8.129 10.805 1.00 0.00 O ATOM 366 CB THR A 23 -7.696 -9.193 13.062 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.095 -9.271 13.383 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.141 -7.864 13.588 1.00 0.00 C ATOM 0 H THR A 23 -5.428 -8.934 11.856 1.00 0.00 H new ATOM 0 HA THR A 23 -7.906 -10.313 11.203 1.00 0.00 H new ATOM 0 HB THR A 23 -7.157 -10.007 13.546 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.624 -8.979 12.612 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.327 -7.791 14.660 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.068 -7.819 13.402 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.633 -7.036 13.077 1.00 0.00 H new ATOM 376 N LEU A 24 -7.421 -7.412 9.992 1.00 0.00 N ATOM 377 CA LEU A 24 -8.019 -6.344 9.153 1.00 0.00 C ATOM 378 C LEU A 24 -8.136 -6.822 7.691 1.00 0.00 C ATOM 379 O LEU A 24 -7.393 -7.720 7.265 1.00 0.00 O ATOM 380 CB LEU A 24 -7.240 -4.995 9.310 1.00 0.00 C ATOM 381 CG LEU A 24 -5.705 -4.953 8.991 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.404 -4.989 7.479 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.035 -3.720 9.651 1.00 0.00 C ATOM 0 H LEU A 24 -6.403 -7.458 9.947 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.032 -6.138 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.728 -4.259 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.370 -4.660 10.339 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.277 -5.860 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.326 -4.957 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.807 -5.906 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.866 -4.129 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.971 -3.714 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.496 -2.808 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.166 -3.770 10.732 1.00 0.00 H new ATOM 395 N THR A 25 -9.070 -6.220 6.929 1.00 0.00 N ATOM 396 CA THR A 25 -9.397 -6.641 5.548 1.00 0.00 C ATOM 397 C THR A 25 -8.983 -5.558 4.529 1.00 0.00 C ATOM 398 O THR A 25 -8.393 -4.546 4.905 1.00 0.00 O ATOM 399 CB THR A 25 -10.936 -6.924 5.409 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.693 -5.705 5.566 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.446 -7.953 6.432 1.00 0.00 C ATOM 0 H THR A 25 -9.622 -5.426 7.253 1.00 0.00 H new ATOM 0 HA THR A 25 -8.841 -7.555 5.339 1.00 0.00 H new ATOM 0 HB THR A 25 -11.079 -7.336 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.649 -5.900 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.515 -8.109 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.920 -8.897 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.265 -7.583 7.441 1.00 0.00 H new ATOM 409 N ALA A 26 -9.307 -5.775 3.237 1.00 0.00 N ATOM 410 CA ALA A 26 -9.101 -4.772 2.169 1.00 0.00 C ATOM 411 C ALA A 26 -9.903 -3.486 2.458 1.00 0.00 C ATOM 412 O ALA A 26 -9.444 -2.374 2.189 1.00 0.00 O ATOM 413 CB ALA A 26 -9.506 -5.351 0.806 1.00 0.00 C ATOM 0 H ALA A 26 -9.718 -6.648 2.905 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.041 -4.518 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.349 -4.601 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.899 -6.230 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.558 -5.634 0.829 1.00 0.00 H new ATOM 419 N SER A 27 -11.097 -3.672 3.041 1.00 0.00 N ATOM 420 CA SER A 27 -12.026 -2.577 3.351 1.00 0.00 C ATOM 421 C SER A 27 -11.583 -1.767 4.592 1.00 0.00 C ATOM 422 O SER A 27 -12.078 -0.652 4.799 1.00 0.00 O ATOM 423 CB SER A 27 -13.449 -3.148 3.547 1.00 0.00 C ATOM 424 OG SER A 27 -13.877 -3.872 2.399 1.00 0.00 O ATOM 0 H SER A 27 -11.446 -4.591 3.312 1.00 0.00 H new ATOM 0 HA SER A 27 -12.024 -1.884 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.464 -3.802 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.146 -2.334 3.747 1.00 0.00 H new ATOM 0 HG SER A 27 -14.779 -4.223 2.551 1.00 0.00 H new ATOM 430 N SER A 28 -10.649 -2.318 5.409 1.00 0.00 N ATOM 431 CA SER A 28 -10.191 -1.647 6.646 1.00 0.00 C ATOM 432 C SER A 28 -9.396 -0.375 6.315 1.00 0.00 C ATOM 433 O SER A 28 -8.599 -0.364 5.364 1.00 0.00 O ATOM 434 CB SER A 28 -9.327 -2.585 7.514 1.00 0.00 C ATOM 435 OG SER A 28 -8.055 -2.835 6.931 1.00 0.00 O ATOM 0 H SER A 28 -10.203 -3.218 5.233 1.00 0.00 H new ATOM 0 HA SER A 28 -11.082 -1.376 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.192 -2.142 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.851 -3.530 7.658 1.00 0.00 H new ATOM 0 HG SER A 28 -8.166 -3.385 6.128 1.00 0.00 H new ATOM 441 N VAL A 29 -9.615 0.670 7.114 1.00 0.00 N ATOM 442 CA VAL A 29 -8.961 1.972 6.951 1.00 0.00 C ATOM 443 C VAL A 29 -7.581 1.941 7.642 1.00 0.00 C ATOM 444 O VAL A 29 -7.420 1.286 8.677 1.00 0.00 O ATOM 445 CB VAL A 29 -9.876 3.111 7.546 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.249 4.519 7.393 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.290 3.052 6.914 1.00 0.00 C ATOM 0 H VAL A 29 -10.260 0.637 7.904 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.812 2.183 5.892 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.964 2.930 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.920 5.265 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.293 4.550 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.092 4.734 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.910 3.844 7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.212 3.186 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.744 2.084 7.127 1.00 0.00 H new ATOM 457 N LEU A 30 -6.582 2.606 7.043 1.00 0.00 N ATOM 458 CA LEU A 30 -5.217 2.686 7.611 1.00 0.00 C ATOM 459 C LEU A 30 -4.935 4.115 8.091 1.00 0.00 C ATOM 460 O LEU A 30 -4.842 4.374 9.296 1.00 0.00 O ATOM 461 CB LEU A 30 -4.174 2.245 6.556 1.00 0.00 C ATOM 462 CG LEU A 30 -4.443 0.860 5.885 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.421 0.587 4.776 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.471 -0.292 6.924 1.00 0.00 C ATOM 0 H LEU A 30 -6.690 3.102 6.158 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.144 2.013 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.128 3.005 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.193 2.215 7.030 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.434 0.901 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.627 -0.382 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.492 1.366 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.417 0.583 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.661 -1.237 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.511 -0.343 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.261 -0.107 7.651 1.00 0.00 H new ATOM 476 N LEU A 31 -4.791 5.025 7.114 1.00 0.00 N ATOM 477 CA LEU A 31 -4.614 6.464 7.341 1.00 0.00 C ATOM 478 C LEU A 31 -5.777 7.031 8.191 1.00 0.00 C ATOM 479 O LEU A 31 -6.930 7.038 7.746 1.00 0.00 O ATOM 480 CB LEU A 31 -4.532 7.172 5.960 1.00 0.00 C ATOM 481 CG LEU A 31 -4.386 8.719 5.972 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.972 9.180 6.390 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.807 9.340 4.631 1.00 0.00 C ATOM 0 H LEU A 31 -4.795 4.773 6.126 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.693 6.642 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.685 6.755 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.430 6.920 5.396 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.072 9.086 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.927 10.269 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.753 8.816 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.238 8.781 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.691 10.423 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.180 8.943 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.850 9.096 4.428 1.00 0.00 H new ATOM 495 N GLY A 32 -5.455 7.451 9.428 1.00 0.00 N ATOM 496 CA GLY A 32 -6.434 8.012 10.363 1.00 0.00 C ATOM 497 C GLY A 32 -6.938 6.987 11.375 1.00 0.00 C ATOM 498 O GLY A 32 -7.106 7.309 12.557 1.00 0.00 O ATOM 0 H GLY A 32 -4.507 7.409 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.983 8.850 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.280 8.409 9.802 1.00 0.00 H new ATOM 502 N ASN A 33 -7.179 5.746 10.908 1.00 0.00 N ATOM 503 CA ASN A 33 -7.735 4.656 11.745 1.00 0.00 C ATOM 504 C ASN A 33 -6.641 4.055 12.641 1.00 0.00 C ATOM 505 O ASN A 33 -6.754 4.057 13.874 1.00 0.00 O ATOM 506 CB ASN A 33 -8.347 3.548 10.854 1.00 0.00 C ATOM 507 CG ASN A 33 -9.009 2.403 11.633 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.768 2.634 12.564 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.694 1.162 11.289 1.00 0.00 N ATOM 0 H ASN A 33 -6.996 5.468 9.944 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.518 5.077 12.376 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.088 3.998 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.563 3.134 10.220 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.087 0.375 11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.059 0.995 10.509 1.00 0.00 H new ATOM 516 N ILE A 34 -5.580 3.536 11.998 1.00 0.00 N ATOM 517 CA ILE A 34 -4.443 2.927 12.698 1.00 0.00 C ATOM 518 C ILE A 34 -3.568 4.051 13.285 1.00 0.00 C ATOM 519 O ILE A 34 -3.055 4.875 12.515 1.00 0.00 O ATOM 520 CB ILE A 34 -3.564 2.024 11.746 1.00 0.00 C ATOM 521 CG1 ILE A 34 -4.448 1.012 10.934 1.00 0.00 C ATOM 522 CG2 ILE A 34 -2.462 1.287 12.547 1.00 0.00 C ATOM 523 CD1 ILE A 34 -5.254 0.024 11.770 1.00 0.00 C ATOM 0 H ILE A 34 -5.490 3.528 10.982 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.836 2.283 13.484 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.076 2.680 11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.138 1.580 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.800 0.449 10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.870 0.672 11.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.815 2.018 13.033 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.924 0.653 13.303 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.828 -0.627 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.576 -0.578 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.935 0.570 12.423 1.00 0.00 H new ATOM 535 N PRO A 35 -3.363 4.099 14.639 1.00 0.00 N ATOM 536 CA PRO A 35 -2.589 5.181 15.295 1.00 0.00 C ATOM 537 C PRO A 35 -1.084 5.113 14.963 1.00 0.00 C ATOM 538 O PRO A 35 -0.353 6.072 15.211 1.00 0.00 O ATOM 539 CB PRO A 35 -2.858 4.941 16.804 1.00 0.00 C ATOM 540 CG PRO A 35 -3.128 3.472 16.909 1.00 0.00 C ATOM 541 CD PRO A 35 -3.853 3.102 15.634 1.00 0.00 C ATOM 0 HA PRO A 35 -2.889 6.173 14.958 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.000 5.231 17.411 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.708 5.527 17.153 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.200 2.909 17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.735 3.246 17.785 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.622 2.083 15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.934 3.160 15.758 1.00 0.00 H new ATOM 549 N GLU A 36 -0.641 3.973 14.388 1.00 0.00 N ATOM 550 CA GLU A 36 0.771 3.726 14.055 1.00 0.00 C ATOM 551 C GLU A 36 1.121 4.279 12.663 1.00 0.00 C ATOM 552 O GLU A 36 2.303 4.396 12.321 1.00 0.00 O ATOM 553 CB GLU A 36 1.060 2.205 14.124 1.00 0.00 C ATOM 554 CG GLU A 36 0.564 1.502 15.405 1.00 0.00 C ATOM 555 CD GLU A 36 1.055 2.166 16.701 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.262 2.094 16.994 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.242 2.772 17.424 1.00 0.00 O ATOM 0 H GLU A 36 -1.258 3.199 14.143 1.00 0.00 H new ATOM 0 HA GLU A 36 1.396 4.246 14.781 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.598 1.724 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.136 2.051 14.037 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.526 1.489 15.404 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.895 0.464 15.391 1.00 0.00 H new ATOM 564 N LEU A 37 0.084 4.617 11.868 1.00 0.00 N ATOM 565 CA LEU A 37 0.252 5.173 10.517 1.00 0.00 C ATOM 566 C LEU A 37 0.588 6.678 10.664 1.00 0.00 C ATOM 567 O LEU A 37 -0.291 7.540 10.633 1.00 0.00 O ATOM 568 CB LEU A 37 -1.039 4.892 9.662 1.00 0.00 C ATOM 569 CG LEU A 37 -0.928 4.943 8.089 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.780 6.377 7.550 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.208 4.027 7.574 1.00 0.00 C ATOM 0 H LEU A 37 -0.891 4.511 12.148 1.00 0.00 H new ATOM 0 HA LEU A 37 1.073 4.698 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.409 3.904 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.799 5.612 9.964 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.872 4.561 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.708 6.351 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.649 6.967 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.122 6.830 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.258 4.085 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.158 4.352 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.010 2.998 7.874 1.00 0.00 H new ATOM 583 N ASP A 38 1.871 6.943 10.928 1.00 0.00 N ATOM 584 CA ASP A 38 2.456 8.290 11.093 1.00 0.00 C ATOM 585 C ASP A 38 3.084 8.760 9.757 1.00 0.00 C ATOM 586 O ASP A 38 3.175 7.978 8.808 1.00 0.00 O ATOM 587 CB ASP A 38 3.525 8.191 12.237 1.00 0.00 C ATOM 588 CG ASP A 38 4.352 9.468 12.481 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.883 10.366 13.210 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.463 9.589 11.914 1.00 0.00 O ATOM 0 H ASP A 38 2.562 6.201 11.038 1.00 0.00 H new ATOM 0 HA ASP A 38 1.698 9.026 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.017 7.925 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.209 7.375 12.003 1.00 0.00 H new ATOM 595 N SER A 39 3.487 10.044 9.702 1.00 0.00 N ATOM 596 CA SER A 39 4.286 10.629 8.605 1.00 0.00 C ATOM 597 C SER A 39 5.497 9.747 8.199 1.00 0.00 C ATOM 598 O SER A 39 5.535 9.167 7.111 1.00 0.00 O ATOM 599 CB SER A 39 4.790 12.031 9.038 1.00 0.00 C ATOM 600 OG SER A 39 3.784 13.045 8.905 1.00 0.00 O ATOM 0 H SER A 39 3.262 10.718 10.433 1.00 0.00 H new ATOM 0 HA SER A 39 3.637 10.698 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.123 11.989 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.657 12.303 8.436 1.00 0.00 H new ATOM 605 N MET A 40 6.477 9.629 9.091 1.00 0.00 N ATOM 606 CA MET A 40 7.704 8.868 8.806 1.00 0.00 C ATOM 607 C MET A 40 7.412 7.371 8.643 1.00 0.00 C ATOM 608 O MET A 40 8.158 6.657 7.970 1.00 0.00 O ATOM 609 CB MET A 40 8.760 9.117 9.891 1.00 0.00 C ATOM 610 CG MET A 40 9.298 10.553 9.892 1.00 0.00 C ATOM 611 SD MET A 40 10.072 11.007 8.320 1.00 0.00 S ATOM 612 CE MET A 40 11.381 9.786 8.159 1.00 0.00 C ATOM 0 H MET A 40 6.451 10.049 10.020 1.00 0.00 H new ATOM 0 HA MET A 40 8.105 9.222 7.857 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.328 8.897 10.867 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.590 8.425 9.747 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.481 11.243 10.103 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.025 10.664 10.696 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.086 10.107 7.392 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.902 9.684 9.111 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.950 8.826 7.876 1.00 0.00 H new ATOM 622 N ALA A 41 6.302 6.934 9.249 1.00 0.00 N ATOM 623 CA ALA A 41 5.794 5.570 9.112 1.00 0.00 C ATOM 624 C ALA A 41 5.341 5.258 7.673 1.00 0.00 C ATOM 625 O ALA A 41 5.543 4.133 7.214 1.00 0.00 O ATOM 626 CB ALA A 41 4.661 5.341 10.101 1.00 0.00 C ATOM 0 H ALA A 41 5.729 7.524 9.852 1.00 0.00 H new ATOM 0 HA ALA A 41 6.611 4.885 9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.286 4.323 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.029 5.488 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.855 6.047 9.901 1.00 0.00 H new ATOM 632 N VAL A 42 4.727 6.246 6.955 1.00 0.00 N ATOM 633 CA VAL A 42 4.344 6.043 5.535 1.00 0.00 C ATOM 634 C VAL A 42 5.603 5.948 4.667 1.00 0.00 C ATOM 635 O VAL A 42 5.647 5.153 3.736 1.00 0.00 O ATOM 636 CB VAL A 42 3.368 7.133 4.917 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.135 7.365 5.799 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.072 8.471 4.589 1.00 0.00 C ATOM 0 H VAL A 42 4.494 7.166 7.330 1.00 0.00 H new ATOM 0 HA VAL A 42 3.776 5.113 5.534 1.00 0.00 H new ATOM 0 HB VAL A 42 3.033 6.716 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.495 8.118 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.581 6.432 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.451 7.710 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.348 9.170 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.497 8.891 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.868 8.296 3.865 1.00 0.00 H new ATOM 648 N VAL A 43 6.628 6.759 5.004 1.00 0.00 N ATOM 649 CA VAL A 43 7.911 6.772 4.254 1.00 0.00 C ATOM 650 C VAL A 43 8.566 5.379 4.337 1.00 0.00 C ATOM 651 O VAL A 43 8.998 4.805 3.330 1.00 0.00 O ATOM 652 CB VAL A 43 8.891 7.869 4.821 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.159 8.037 3.951 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.149 9.208 5.002 1.00 0.00 C ATOM 0 H VAL A 43 6.597 7.412 5.787 1.00 0.00 H new ATOM 0 HA VAL A 43 7.703 7.018 3.213 1.00 0.00 H new ATOM 0 HB VAL A 43 9.235 7.528 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.800 8.804 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.701 7.092 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.871 8.333 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.838 9.956 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.761 9.542 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.323 9.075 5.700 1.00 0.00 H new ATOM 664 N ASN A 44 8.554 4.854 5.567 1.00 0.00 N ATOM 665 CA ASN A 44 9.113 3.545 5.929 1.00 0.00 C ATOM 666 C ASN A 44 8.431 2.370 5.192 1.00 0.00 C ATOM 667 O ASN A 44 9.112 1.514 4.607 1.00 0.00 O ATOM 668 CB ASN A 44 9.010 3.376 7.471 1.00 0.00 C ATOM 669 CG ASN A 44 10.062 4.183 8.245 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.173 4.417 7.760 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.727 4.612 9.454 1.00 0.00 N ATOM 0 H ASN A 44 8.143 5.342 6.363 1.00 0.00 H new ATOM 0 HA ASN A 44 10.156 3.519 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.016 3.682 7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.116 2.320 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.394 5.150 10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.802 4.404 9.831 1.00 0.00 H new ATOM 678 N VAL A 45 7.087 2.335 5.226 1.00 0.00 N ATOM 679 CA VAL A 45 6.307 1.233 4.619 1.00 0.00 C ATOM 680 C VAL A 45 6.340 1.295 3.078 1.00 0.00 C ATOM 681 O VAL A 45 6.276 0.252 2.434 1.00 0.00 O ATOM 682 CB VAL A 45 4.819 1.199 5.124 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.741 0.921 6.644 1.00 0.00 C ATOM 684 CG2 VAL A 45 4.071 2.493 4.761 1.00 0.00 C ATOM 0 H VAL A 45 6.515 3.056 5.667 1.00 0.00 H new ATOM 0 HA VAL A 45 6.789 0.310 4.943 1.00 0.00 H new ATOM 0 HB VAL A 45 4.324 0.374 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.697 0.905 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.200 -0.043 6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.270 1.705 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.045 2.435 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.572 3.344 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.065 2.618 3.678 1.00 0.00 H new ATOM 694 N ILE A 46 6.450 2.516 2.500 1.00 0.00 N ATOM 695 CA ILE A 46 6.608 2.691 1.034 1.00 0.00 C ATOM 696 C ILE A 46 7.929 2.055 0.599 1.00 0.00 C ATOM 697 O ILE A 46 7.940 1.216 -0.304 1.00 0.00 O ATOM 698 CB ILE A 46 6.550 4.214 0.594 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.096 4.762 0.734 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.084 4.449 -0.853 1.00 0.00 C ATOM 701 CD1 ILE A 46 4.945 6.256 0.485 1.00 0.00 C ATOM 0 H ILE A 46 6.432 3.391 3.024 1.00 0.00 H new ATOM 0 HA ILE A 46 5.772 2.196 0.540 1.00 0.00 H new ATOM 0 HB ILE A 46 7.212 4.762 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.453 4.226 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.734 4.538 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.019 5.509 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.123 4.125 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.483 3.877 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.900 6.541 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.556 6.808 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.271 6.491 -0.528 1.00 0.00 H new ATOM 713 N THR A 47 9.016 2.425 1.311 1.00 0.00 N ATOM 714 CA THR A 47 10.369 1.902 1.064 1.00 0.00 C ATOM 715 C THR A 47 10.374 0.363 1.075 1.00 0.00 C ATOM 716 O THR A 47 10.860 -0.269 0.138 1.00 0.00 O ATOM 717 CB THR A 47 11.388 2.454 2.114 1.00 0.00 C ATOM 718 OG1 THR A 47 11.384 3.888 2.065 1.00 0.00 O ATOM 719 CG2 THR A 47 12.830 1.948 1.881 1.00 0.00 C ATOM 0 H THR A 47 8.975 3.098 2.076 1.00 0.00 H new ATOM 0 HA THR A 47 10.678 2.242 0.076 1.00 0.00 H new ATOM 0 HB THR A 47 11.070 2.090 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.578 4.228 2.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.490 2.366 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.848 0.860 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.170 2.261 0.894 1.00 0.00 H new ATOM 727 N ALA A 48 9.754 -0.211 2.122 1.00 0.00 N ATOM 728 CA ALA A 48 9.655 -1.666 2.308 1.00 0.00 C ATOM 729 C ALA A 48 8.858 -2.350 1.161 1.00 0.00 C ATOM 730 O ALA A 48 9.296 -3.379 0.639 1.00 0.00 O ATOM 731 CB ALA A 48 9.046 -1.966 3.683 1.00 0.00 C ATOM 0 H ALA A 48 9.306 0.326 2.865 1.00 0.00 H new ATOM 0 HA ALA A 48 10.659 -2.088 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.973 -3.045 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.680 -1.543 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.052 -1.524 3.745 1.00 0.00 H new ATOM 737 N LEU A 49 7.717 -1.747 0.753 1.00 0.00 N ATOM 738 CA LEU A 49 6.891 -2.236 -0.390 1.00 0.00 C ATOM 739 C LEU A 49 7.737 -2.306 -1.681 1.00 0.00 C ATOM 740 O LEU A 49 7.716 -3.316 -2.397 1.00 0.00 O ATOM 741 CB LEU A 49 5.625 -1.323 -0.603 1.00 0.00 C ATOM 742 CG LEU A 49 4.269 -1.829 -0.001 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.749 -3.068 -0.753 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.389 -2.112 1.503 1.00 0.00 C ATOM 0 H LEU A 49 7.339 -0.912 1.200 1.00 0.00 H new ATOM 0 HA LEU A 49 6.544 -3.241 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.839 -0.343 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.487 -1.181 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 49 3.541 -1.028 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.807 -3.394 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.590 -2.817 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.481 -3.872 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.430 -2.461 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.146 -2.878 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.676 -1.198 2.023 1.00 0.00 H new ATOM 756 N GLU A 50 8.492 -1.224 -1.931 1.00 0.00 N ATOM 757 CA GLU A 50 9.400 -1.101 -3.084 1.00 0.00 C ATOM 758 C GLU A 50 10.463 -2.218 -3.079 1.00 0.00 C ATOM 759 O GLU A 50 10.714 -2.840 -4.116 1.00 0.00 O ATOM 760 CB GLU A 50 10.088 0.289 -3.076 1.00 0.00 C ATOM 761 CG GLU A 50 9.122 1.489 -3.195 1.00 0.00 C ATOM 762 CD GLU A 50 9.815 2.858 -3.050 1.00 0.00 C ATOM 763 OE1 GLU A 50 10.597 3.033 -2.104 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.556 3.774 -3.858 1.00 0.00 O ATOM 0 H GLU A 50 8.489 -0.399 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 50 8.807 -1.202 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.660 0.391 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.801 0.331 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.620 1.446 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.350 1.400 -2.431 1.00 0.00 H new ATOM 771 N GLU A 51 11.050 -2.471 -1.887 1.00 0.00 N ATOM 772 CA GLU A 51 12.105 -3.486 -1.694 1.00 0.00 C ATOM 773 C GLU A 51 11.612 -4.887 -2.087 1.00 0.00 C ATOM 774 O GLU A 51 12.139 -5.499 -3.025 1.00 0.00 O ATOM 775 CB GLU A 51 12.603 -3.499 -0.214 1.00 0.00 C ATOM 776 CG GLU A 51 13.325 -2.220 0.246 1.00 0.00 C ATOM 777 CD GLU A 51 14.571 -1.902 -0.594 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.611 -2.569 -0.403 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.512 -1.017 -1.474 1.00 0.00 O ATOM 0 H GLU A 51 10.803 -1.974 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 51 12.936 -3.216 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.747 -3.669 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.277 -4.345 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.633 -1.379 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.615 -2.329 1.291 1.00 0.00 H new ATOM 786 N TYR A 52 10.570 -5.355 -1.379 1.00 0.00 N ATOM 787 CA TYR A 52 10.072 -6.735 -1.494 1.00 0.00 C ATOM 788 C TYR A 52 9.447 -7.005 -2.871 1.00 0.00 C ATOM 789 O TYR A 52 9.833 -7.961 -3.555 1.00 0.00 O ATOM 790 CB TYR A 52 9.075 -7.047 -0.348 1.00 0.00 C ATOM 791 CG TYR A 52 9.722 -6.978 1.046 1.00 0.00 C ATOM 792 CD1 TYR A 52 10.762 -7.846 1.401 1.00 0.00 C ATOM 793 CD2 TYR A 52 9.317 -6.038 1.995 1.00 0.00 C ATOM 794 CE1 TYR A 52 11.366 -7.770 2.639 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.915 -5.963 3.233 1.00 0.00 C ATOM 796 CZ TYR A 52 10.939 -6.829 3.550 1.00 0.00 C ATOM 797 OH TYR A 52 11.546 -6.748 4.782 1.00 0.00 O ATOM 0 H TYR A 52 10.050 -4.786 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 52 10.925 -7.407 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.246 -6.341 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.656 -8.042 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.097 -8.589 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.517 -5.354 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.170 -8.445 2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.583 -5.229 3.952 1.00 0.00 H new ATOM 0 HH TYR A 52 11.129 -6.032 5.306 1.00 0.00 H new ATOM 807 N PHE A 53 8.513 -6.136 -3.295 1.00 0.00 N ATOM 808 CA PHE A 53 7.785 -6.311 -4.569 1.00 0.00 C ATOM 809 C PHE A 53 8.676 -5.955 -5.788 1.00 0.00 C ATOM 810 O PHE A 53 8.325 -6.303 -6.922 1.00 0.00 O ATOM 811 CB PHE A 53 6.497 -5.453 -4.598 1.00 0.00 C ATOM 812 CG PHE A 53 5.367 -5.833 -3.633 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.618 -6.357 -2.364 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.032 -5.646 -4.004 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.581 -6.679 -1.510 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.002 -5.963 -3.147 1.00 0.00 C ATOM 817 CZ PHE A 53 3.273 -6.480 -1.904 1.00 0.00 C ATOM 0 H PHE A 53 8.242 -5.302 -2.774 1.00 0.00 H new ATOM 0 HA PHE A 53 7.511 -7.364 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.778 -4.419 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.097 -5.482 -5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.638 -6.513 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.804 -5.246 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.794 -7.087 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.978 -5.805 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.463 -6.731 -1.235 1.00 0.00 H new ATOM 827 N ASP A 54 9.803 -5.239 -5.540 1.00 0.00 N ATOM 828 CA ASP A 54 10.811 -4.888 -6.567 1.00 0.00 C ATOM 829 C ASP A 54 10.226 -3.879 -7.582 1.00 0.00 C ATOM 830 O ASP A 54 9.940 -4.211 -8.735 1.00 0.00 O ATOM 831 CB ASP A 54 11.416 -6.165 -7.247 1.00 0.00 C ATOM 832 CG ASP A 54 12.437 -5.869 -8.370 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.551 -5.423 -8.054 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.124 -6.066 -9.572 1.00 0.00 O ATOM 0 H ASP A 54 10.037 -4.887 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 54 11.647 -4.393 -6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.901 -6.773 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.603 -6.761 -7.660 1.00 0.00 H new ATOM 839 N PHE A 55 9.947 -2.666 -7.084 1.00 0.00 N ATOM 840 CA PHE A 55 9.537 -1.509 -7.912 1.00 0.00 C ATOM 841 C PHE A 55 9.857 -0.206 -7.149 1.00 0.00 C ATOM 842 O PHE A 55 10.574 -0.237 -6.147 1.00 0.00 O ATOM 843 CB PHE A 55 8.017 -1.608 -8.262 1.00 0.00 C ATOM 844 CG PHE A 55 7.056 -1.374 -7.089 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.969 -2.273 -6.032 1.00 0.00 C ATOM 846 CD2 PHE A 55 6.250 -0.243 -7.043 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.106 -2.045 -4.976 1.00 0.00 C ATOM 848 CE2 PHE A 55 5.395 -0.023 -5.990 1.00 0.00 C ATOM 849 CZ PHE A 55 5.321 -0.921 -4.954 1.00 0.00 C ATOM 0 H PHE A 55 9.998 -2.452 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 55 10.090 -1.508 -8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.793 -0.882 -9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.821 -2.596 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.584 -3.161 -6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.296 0.475 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.050 -2.756 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.777 0.863 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.649 -0.743 -4.127 1.00 0.00 H new ATOM 859 N SER A 56 9.371 0.939 -7.660 1.00 0.00 N ATOM 860 CA SER A 56 9.369 2.216 -6.925 1.00 0.00 C ATOM 861 C SER A 56 7.985 2.884 -7.069 1.00 0.00 C ATOM 862 O SER A 56 7.381 2.822 -8.145 1.00 0.00 O ATOM 863 CB SER A 56 10.498 3.137 -7.451 1.00 0.00 C ATOM 864 OG SER A 56 10.632 4.312 -6.667 1.00 0.00 O ATOM 0 H SER A 56 8.968 1.005 -8.595 1.00 0.00 H new ATOM 0 HA SER A 56 9.558 2.034 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.441 2.591 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.290 3.412 -8.485 1.00 0.00 H new ATOM 0 HG SER A 56 10.287 4.145 -5.765 1.00 0.00 H new ATOM 870 N VAL A 57 7.466 3.466 -5.966 1.00 0.00 N ATOM 871 CA VAL A 57 6.191 4.213 -5.968 1.00 0.00 C ATOM 872 C VAL A 57 6.495 5.695 -6.288 1.00 0.00 C ATOM 873 O VAL A 57 7.288 6.326 -5.580 1.00 0.00 O ATOM 874 CB VAL A 57 5.418 4.114 -4.582 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.924 4.494 -4.747 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.556 2.718 -3.935 1.00 0.00 C ATOM 0 H VAL A 57 7.918 3.431 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 57 5.541 3.770 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 57 5.886 4.832 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.420 4.417 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.847 5.517 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.452 3.815 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.012 2.699 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.145 1.964 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.609 2.505 -3.751 1.00 0.00 H new ATOM 886 N ASP A 58 5.879 6.236 -7.353 1.00 0.00 N ATOM 887 CA ASP A 58 6.172 7.595 -7.870 1.00 0.00 C ATOM 888 C ASP A 58 5.305 8.663 -7.164 1.00 0.00 C ATOM 889 O ASP A 58 4.197 8.370 -6.724 1.00 0.00 O ATOM 890 CB ASP A 58 5.935 7.633 -9.407 1.00 0.00 C ATOM 891 CG ASP A 58 6.443 8.931 -10.065 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.634 8.993 -10.435 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.671 9.905 -10.187 1.00 0.00 O ATOM 0 H ASP A 58 5.160 5.746 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 58 7.216 7.826 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.434 6.780 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.869 7.524 -9.607 1.00 0.00 H new ATOM 898 N ASP A 59 5.816 9.911 -7.118 1.00 0.00 N ATOM 899 CA ASP A 59 5.147 11.073 -6.475 1.00 0.00 C ATOM 900 C ASP A 59 3.726 11.318 -7.035 1.00 0.00 C ATOM 901 O ASP A 59 2.810 11.674 -6.285 1.00 0.00 O ATOM 902 CB ASP A 59 6.023 12.339 -6.682 1.00 0.00 C ATOM 903 CG ASP A 59 5.393 13.634 -6.122 1.00 0.00 C ATOM 904 OD1 ASP A 59 5.516 13.892 -4.907 1.00 0.00 O ATOM 905 OD2 ASP A 59 4.766 14.397 -6.892 1.00 0.00 O ATOM 0 H ASP A 59 6.718 10.148 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 59 5.038 10.853 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.990 12.181 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.210 12.469 -7.748 1.00 0.00 H new ATOM 910 N ASP A 60 3.562 11.098 -8.351 1.00 0.00 N ATOM 911 CA ASP A 60 2.319 11.396 -9.096 1.00 0.00 C ATOM 912 C ASP A 60 1.145 10.515 -8.628 1.00 0.00 C ATOM 913 O ASP A 60 -0.009 10.958 -8.619 1.00 0.00 O ATOM 914 CB ASP A 60 2.561 11.205 -10.620 1.00 0.00 C ATOM 915 CG ASP A 60 1.322 11.511 -11.488 1.00 0.00 C ATOM 916 OD1 ASP A 60 0.943 12.697 -11.594 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.708 10.572 -12.047 1.00 0.00 O ATOM 0 H ASP A 60 4.297 10.703 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 60 2.049 12.433 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.381 11.851 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.877 10.178 -10.803 1.00 0.00 H new ATOM 922 N GLU A 61 1.454 9.272 -8.236 1.00 0.00 N ATOM 923 CA GLU A 61 0.438 8.293 -7.790 1.00 0.00 C ATOM 924 C GLU A 61 0.331 8.273 -6.256 1.00 0.00 C ATOM 925 O GLU A 61 -0.677 7.810 -5.709 1.00 0.00 O ATOM 926 CB GLU A 61 0.764 6.886 -8.338 1.00 0.00 C ATOM 927 CG GLU A 61 2.100 6.302 -7.842 1.00 0.00 C ATOM 928 CD GLU A 61 2.468 4.937 -8.430 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.670 4.345 -9.185 1.00 0.00 O ATOM 930 OE2 GLU A 61 3.582 4.462 -8.154 1.00 0.00 O ATOM 0 H GLU A 61 2.408 8.912 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.529 8.599 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.041 6.206 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.783 6.929 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.897 7.008 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.060 6.214 -6.756 1.00 0.00 H new ATOM 937 N ILE A 62 1.385 8.755 -5.566 1.00 0.00 N ATOM 938 CA ILE A 62 1.363 8.907 -4.107 1.00 0.00 C ATOM 939 C ILE A 62 0.501 10.122 -3.706 1.00 0.00 C ATOM 940 O ILE A 62 0.728 11.239 -4.183 1.00 0.00 O ATOM 941 CB ILE A 62 2.804 9.081 -3.484 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.687 7.812 -3.676 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.711 9.425 -1.987 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.077 7.898 -3.048 1.00 0.00 C ATOM 0 H ILE A 62 2.261 9.044 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 62 0.935 7.985 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 62 3.280 9.903 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.164 6.955 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.797 7.621 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.714 9.541 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.158 10.356 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.194 8.622 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.618 6.970 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.625 8.731 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.982 8.054 -1.974 1.00 0.00 H new ATOM 956 N SER A 63 -0.490 9.875 -2.852 1.00 0.00 N ATOM 957 CA SER A 63 -1.220 10.907 -2.110 1.00 0.00 C ATOM 958 C SER A 63 -1.606 10.336 -0.730 1.00 0.00 C ATOM 959 O SER A 63 -1.260 9.194 -0.401 1.00 0.00 O ATOM 960 CB SER A 63 -2.474 11.342 -2.907 1.00 0.00 C ATOM 961 OG SER A 63 -3.198 12.361 -2.241 1.00 0.00 O ATOM 0 H SER A 63 -0.817 8.930 -2.650 1.00 0.00 H new ATOM 0 HA SER A 63 -0.595 11.789 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.172 11.696 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.122 10.479 -3.063 1.00 0.00 H new ATOM 0 HG SER A 63 -3.981 12.609 -2.776 1.00 0.00 H new ATOM 967 N ALA A 64 -2.308 11.140 0.079 1.00 0.00 N ATOM 968 CA ALA A 64 -2.946 10.660 1.314 1.00 0.00 C ATOM 969 C ALA A 64 -4.050 9.640 0.963 1.00 0.00 C ATOM 970 O ALA A 64 -4.265 8.656 1.674 1.00 0.00 O ATOM 971 CB ALA A 64 -3.511 11.840 2.108 1.00 0.00 C ATOM 0 H ALA A 64 -2.450 12.134 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.204 10.162 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.981 11.473 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.703 12.525 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.252 12.364 1.504 1.00 0.00 H new ATOM 977 N GLN A 65 -4.684 9.862 -0.206 1.00 0.00 N ATOM 978 CA GLN A 65 -5.749 8.992 -0.744 1.00 0.00 C ATOM 979 C GLN A 65 -5.214 7.587 -1.111 1.00 0.00 C ATOM 980 O GLN A 65 -5.996 6.673 -1.368 1.00 0.00 O ATOM 981 CB GLN A 65 -6.413 9.659 -1.979 1.00 0.00 C ATOM 982 CG GLN A 65 -6.913 11.102 -1.747 1.00 0.00 C ATOM 983 CD GLN A 65 -7.907 11.227 -0.592 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.116 11.098 -0.781 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.406 11.494 0.613 1.00 0.00 N ATOM 0 H GLN A 65 -4.469 10.657 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.497 8.862 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.696 9.666 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.255 9.045 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.057 11.747 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.383 11.466 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.398 11.595 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.030 11.598 1.413 1.00 0.00 H new ATOM 994 N THR A 66 -3.876 7.428 -1.144 1.00 0.00 N ATOM 995 CA THR A 66 -3.231 6.130 -1.367 1.00 0.00 C ATOM 996 C THR A 66 -3.369 5.236 -0.116 1.00 0.00 C ATOM 997 O THR A 66 -3.597 4.032 -0.243 1.00 0.00 O ATOM 998 CB THR A 66 -1.720 6.326 -1.745 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.634 7.155 -2.912 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.976 5.004 -2.018 1.00 0.00 C ATOM 0 H THR A 66 -3.218 8.197 -1.017 1.00 0.00 H new ATOM 0 HA THR A 66 -3.730 5.633 -2.199 1.00 0.00 H new ATOM 0 HB THR A 66 -1.238 6.790 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.110 6.726 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.062 5.217 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.010 4.377 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.454 4.482 -2.847 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.261 5.838 1.096 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.243 5.083 2.368 1.00 0.00 C ATOM 1010 C PHE A 67 -4.607 5.032 3.061 1.00 0.00 C ATOM 1011 O PHE A 67 -4.687 4.509 4.176 1.00 0.00 O ATOM 1012 CB PHE A 67 -2.158 5.664 3.319 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.744 5.236 2.945 1.00 0.00 C ATOM 1014 CD1 PHE A 67 -0.075 5.813 1.867 1.00 0.00 C ATOM 1015 CD2 PHE A 67 -0.096 4.231 3.659 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.195 5.399 1.520 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.168 3.818 3.309 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.817 4.404 2.244 1.00 0.00 C ATOM 0 H PHE A 67 -3.185 6.848 1.215 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.994 4.051 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.217 6.752 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.370 5.345 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.556 6.593 1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.593 3.770 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.701 5.854 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.653 3.033 3.870 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.813 4.084 1.976 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.671 5.529 2.396 1.00 0.00 N ATOM 1029 CA GLU A 68 -7.025 5.603 2.997 1.00 0.00 C ATOM 1030 C GLU A 68 -7.502 4.208 3.481 1.00 0.00 C ATOM 1031 O GLU A 68 -7.940 4.069 4.617 1.00 0.00 O ATOM 1032 CB GLU A 68 -8.052 6.255 2.023 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.180 5.556 0.664 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.259 6.161 -0.249 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.020 7.233 -0.846 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.353 5.567 -0.375 1.00 0.00 O ATOM 0 H GLU A 68 -5.621 5.886 1.442 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.960 6.249 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.030 6.267 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.766 7.293 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.219 5.600 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.406 4.502 0.828 1.00 0.00 H new ATOM 1043 N THR A 69 -7.365 3.172 2.629 1.00 0.00 N ATOM 1044 CA THR A 69 -7.647 1.771 3.013 1.00 0.00 C ATOM 1045 C THR A 69 -6.548 0.830 2.496 1.00 0.00 C ATOM 1046 O THR A 69 -5.734 1.204 1.634 1.00 0.00 O ATOM 1047 CB THR A 69 -9.035 1.269 2.475 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.118 1.473 1.060 1.00 0.00 O ATOM 1049 CG2 THR A 69 -10.227 1.954 3.163 1.00 0.00 C ATOM 0 H THR A 69 -7.058 3.280 1.662 1.00 0.00 H new ATOM 0 HA THR A 69 -7.673 1.754 4.103 1.00 0.00 H new ATOM 0 HB THR A 69 -9.094 0.206 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.986 1.156 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.158 1.566 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.194 1.753 4.234 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.175 3.030 2.994 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.555 -0.411 3.030 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.654 -1.491 2.589 1.00 0.00 C ATOM 1059 C LEU A 70 -5.855 -1.804 1.097 1.00 0.00 C ATOM 1060 O LEU A 70 -4.895 -2.088 0.369 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.908 -2.774 3.423 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.968 -3.977 3.095 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.516 -3.643 3.481 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.456 -5.291 3.753 1.00 0.00 C ATOM 0 H LEU A 70 -7.188 -0.689 3.780 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.629 -1.154 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.802 -2.528 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.941 -3.088 3.271 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.000 -4.146 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.873 -4.491 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.183 -2.769 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.463 -3.432 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.773 -6.101 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.484 -5.167 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.455 -5.531 3.389 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.131 -1.748 0.681 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.533 -1.992 -0.695 1.00 0.00 C ATOM 1078 C GLY A 71 -6.923 -0.980 -1.651 1.00 0.00 C ATOM 1079 O GLY A 71 -6.571 -1.325 -2.774 1.00 0.00 O ATOM 0 H GLY A 71 -7.910 -1.530 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.231 -2.997 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.620 -1.952 -0.768 1.00 0.00 H new ATOM 1083 N SER A 72 -6.781 0.273 -1.179 1.00 0.00 N ATOM 1084 CA SER A 72 -6.183 1.362 -1.965 1.00 0.00 C ATOM 1085 C SER A 72 -4.715 1.038 -2.311 1.00 0.00 C ATOM 1086 O SER A 72 -4.355 1.025 -3.499 1.00 0.00 O ATOM 1087 CB SER A 72 -6.299 2.687 -1.195 1.00 0.00 C ATOM 1088 OG SER A 72 -7.638 2.927 -0.808 1.00 0.00 O ATOM 0 H SER A 72 -7.077 0.555 -0.245 1.00 0.00 H new ATOM 0 HA SER A 72 -6.726 1.465 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.660 2.657 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.943 3.507 -1.818 1.00 0.00 H new ATOM 0 HG SER A 72 -7.883 2.317 -0.081 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.897 0.707 -1.274 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.483 0.290 -1.470 1.00 0.00 C ATOM 1096 C LEU A 73 -2.416 -0.915 -2.416 1.00 0.00 C ATOM 1097 O LEU A 73 -1.568 -0.964 -3.309 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.785 -0.120 -0.134 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.365 0.999 0.861 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.453 2.040 0.190 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.583 1.637 1.528 1.00 0.00 C ATOM 0 H LEU A 73 -4.193 0.721 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.965 1.154 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.455 -0.798 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.891 -0.689 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.778 0.535 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.180 2.806 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.449 1.551 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.981 2.502 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.255 2.415 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.227 2.076 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.137 0.876 2.077 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.336 -1.869 -2.183 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.403 -3.125 -2.925 1.00 0.00 C ATOM 1115 C ALA A 74 -3.593 -2.886 -4.424 1.00 0.00 C ATOM 1116 O ALA A 74 -2.846 -3.442 -5.213 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.511 -4.015 -2.371 1.00 0.00 C ATOM 0 H ALA A 74 -4.057 -1.781 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.450 -3.638 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.546 -4.946 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.311 -4.234 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.468 -3.501 -2.458 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.556 -2.016 -4.798 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.846 -1.713 -6.220 1.00 0.00 C ATOM 1125 C LEU A 75 -3.667 -0.969 -6.876 1.00 0.00 C ATOM 1126 O LEU A 75 -3.332 -1.254 -8.032 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.180 -0.913 -6.421 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.496 -1.748 -6.611 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.313 -2.858 -7.669 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.025 -2.306 -5.279 1.00 0.00 C ATOM 0 H LEU A 75 -5.146 -1.511 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.981 -2.675 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.316 -0.260 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.060 -0.269 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.258 -1.065 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.243 -3.416 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.048 -2.408 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.518 -3.534 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.936 -2.876 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.273 -2.956 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.242 -1.482 -4.600 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.026 -0.037 -6.130 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.829 0.680 -6.624 1.00 0.00 C ATOM 1144 C PHE A 76 -0.720 -0.325 -6.995 1.00 0.00 C ATOM 1145 O PHE A 76 -0.272 -0.353 -8.143 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.316 1.729 -5.588 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.035 3.081 -5.667 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.758 3.964 -6.714 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.978 3.469 -4.717 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.403 5.180 -6.809 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.621 4.691 -4.813 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.335 5.544 -5.856 1.00 0.00 C ATOM 0 H PHE A 76 -3.317 0.233 -5.190 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.113 1.230 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.436 1.323 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.249 1.886 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.027 3.690 -7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.210 2.808 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.179 5.847 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.349 4.976 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.839 6.497 -5.929 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.350 -1.198 -6.037 1.00 0.00 N ATOM 1163 CA VAL A 77 0.725 -2.195 -6.225 1.00 0.00 C ATOM 1164 C VAL A 77 0.329 -3.293 -7.248 1.00 0.00 C ATOM 1165 O VAL A 77 1.217 -3.920 -7.833 1.00 0.00 O ATOM 1166 CB VAL A 77 1.229 -2.821 -4.873 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.811 -1.732 -3.942 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.124 -3.614 -4.165 1.00 0.00 C ATOM 0 H VAL A 77 -0.785 -1.233 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 77 1.569 -1.646 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 77 2.026 -3.523 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.152 -2.191 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.651 -1.243 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.041 -0.994 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.513 -4.030 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.714 -2.953 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.214 -4.424 -4.811 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.000 -3.545 -7.452 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.470 -4.400 -8.576 1.00 0.00 C ATOM 1180 C GLU A 78 -0.951 -3.783 -9.881 1.00 0.00 C ATOM 1181 O GLU A 78 -0.176 -4.400 -10.599 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.030 -4.511 -8.672 1.00 0.00 C ATOM 1183 CG GLU A 78 -3.756 -5.225 -7.515 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.416 -6.714 -7.346 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.534 -7.478 -8.325 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.077 -7.143 -6.221 1.00 0.00 O ATOM 0 H GLU A 78 -1.746 -3.175 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.090 -5.407 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.436 -3.503 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.276 -5.031 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.520 -4.707 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.831 -5.130 -7.669 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.302 -2.497 -10.079 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.011 -1.741 -11.320 1.00 0.00 C ATOM 1195 C HIS A 79 0.502 -1.657 -11.589 1.00 0.00 C ATOM 1196 O HIS A 79 0.942 -1.695 -12.745 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.618 -0.316 -11.233 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.104 -0.289 -10.966 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.765 0.823 -10.501 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.052 -1.251 -11.087 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.043 0.547 -10.356 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.245 -0.704 -10.707 1.00 0.00 N ATOM 0 H HIS A 79 -1.799 -1.947 -9.379 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.469 -2.277 -12.152 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.109 0.236 -10.443 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.419 0.209 -12.167 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.893 -2.265 -11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.800 1.233 -10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.144 -1.186 -10.697 1.00 0.00 H new ATOM 1211 N LYS A 80 1.282 -1.560 -10.498 1.00 0.00 N ATOM 1212 CA LYS A 80 2.747 -1.482 -10.564 1.00 0.00 C ATOM 1213 C LYS A 80 3.347 -2.761 -11.153 1.00 0.00 C ATOM 1214 O LYS A 80 4.051 -2.721 -12.153 1.00 0.00 O ATOM 1215 CB LYS A 80 3.359 -1.217 -9.159 1.00 0.00 C ATOM 1216 CG LYS A 80 2.833 0.043 -8.445 1.00 0.00 C ATOM 1217 CD LYS A 80 2.951 1.312 -9.297 1.00 0.00 C ATOM 1218 CE LYS A 80 4.401 1.670 -9.659 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.456 2.911 -10.464 1.00 0.00 N ATOM 0 H LYS A 80 0.912 -1.534 -9.548 1.00 0.00 H new ATOM 0 HA LYS A 80 2.994 -0.647 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.164 -2.083 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.441 -1.133 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.788 -0.110 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.385 0.184 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.377 1.180 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.502 2.146 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.986 1.797 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.853 0.850 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.409 3.022 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.760 2.856 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.238 3.728 -9.858 1.00 0.00 H new ATOM 1233 N LEU A 81 3.043 -3.903 -10.536 1.00 0.00 N ATOM 1234 CA LEU A 81 3.669 -5.187 -10.904 1.00 0.00 C ATOM 1235 C LEU A 81 2.958 -5.869 -12.100 1.00 0.00 C ATOM 1236 O LEU A 81 3.514 -6.803 -12.687 1.00 0.00 O ATOM 1237 CB LEU A 81 3.758 -6.137 -9.666 1.00 0.00 C ATOM 1238 CG LEU A 81 4.774 -5.735 -8.531 1.00 0.00 C ATOM 1239 CD1 LEU A 81 6.162 -5.383 -9.110 1.00 0.00 C ATOM 1240 CD2 LEU A 81 4.241 -4.600 -7.633 1.00 0.00 C ATOM 0 H LEU A 81 2.366 -3.972 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 81 4.684 -4.969 -11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.765 -6.210 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.023 -7.133 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 81 4.888 -6.613 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.836 -5.111 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.564 -6.245 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.067 -4.544 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.981 -4.363 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.050 -3.715 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.315 -4.919 -7.155 1.00 0.00 H new ATOM 1252 N SER A 82 1.749 -5.396 -12.471 1.00 0.00 N ATOM 1253 CA SER A 82 0.929 -6.034 -13.531 1.00 0.00 C ATOM 1254 C SER A 82 0.980 -5.280 -14.877 1.00 0.00 C ATOM 1255 O SER A 82 0.565 -5.851 -15.894 1.00 0.00 O ATOM 1256 CB SER A 82 -0.537 -6.173 -13.060 1.00 0.00 C ATOM 1257 OG SER A 82 -0.612 -6.920 -11.852 1.00 0.00 O ATOM 0 H SER A 82 1.316 -4.573 -12.053 1.00 0.00 H new ATOM 0 HA SER A 82 1.361 -7.020 -13.706 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.970 -5.184 -12.909 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.127 -6.664 -13.834 1.00 0.00 H new ATOM 0 HG SER A 82 -0.490 -6.319 -11.088 1.00 0.00 H new ATOM 1263 N HIS A 83 1.467 -4.010 -14.904 1.00 0.00 N ATOM 1264 CA HIS A 83 1.478 -3.217 -16.169 1.00 0.00 C ATOM 1265 C HIS A 83 2.518 -3.800 -17.173 1.00 0.00 C ATOM 1266 O HIS A 83 2.183 -3.974 -18.365 1.00 0.00 O ATOM 1267 CB HIS A 83 1.688 -1.686 -15.926 1.00 0.00 C ATOM 1268 CG HIS A 83 3.095 -1.233 -15.616 1.00 0.00 C ATOM 1269 ND1 HIS A 83 3.609 -1.185 -14.348 1.00 0.00 N ATOM 1270 CD2 HIS A 83 4.093 -0.803 -16.432 1.00 0.00 C ATOM 1271 CE1 HIS A 83 4.851 -0.744 -14.391 1.00 0.00 C ATOM 1272 NE2 HIS A 83 5.170 -0.505 -15.641 1.00 0.00 N ATOM 1273 OXT HIS A 83 3.645 -4.139 -16.746 1.00 0.00 O ATOM 0 H HIS A 83 1.847 -3.523 -14.092 1.00 0.00 H new ATOM 0 HA HIS A 83 0.488 -3.309 -16.616 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.346 -1.151 -16.812 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.043 -1.381 -15.102 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.108 -1.450 -13.500 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.045 -0.713 -17.507 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.499 -0.603 -13.538 1.00 0.00 H new TER 1282 HIS A 83 HETATM 1283 P24 PNS A 84 3.395 13.727 7.478 1.00 0.00 P HETATM 1284 O25 PNS A 84 2.491 14.705 8.107 1.00 0.00 O HETATM 1285 O26 PNS A 84 2.786 12.730 6.582 1.00 0.00 O HETATM 1286 O27 PNS A 84 4.712 14.490 6.853 1.00 0.00 O HETATM 1287 C28 PNS A 84 5.981 13.893 6.472 1.00 0.00 C HETATM 1288 C29 PNS A 84 6.011 13.156 5.077 1.00 0.00 C HETATM 1289 C30 PNS A 84 5.254 11.799 5.145 1.00 0.00 C HETATM 1290 C31 PNS A 84 7.501 12.835 4.731 1.00 0.00 C HETATM 1291 C32 PNS A 84 5.375 14.090 3.965 1.00 0.00 C HETATM 1292 O33 PNS A 84 6.256 15.177 3.670 1.00 0.00 O HETATM 1293 C34 PNS A 84 5.085 13.313 2.666 1.00 0.00 C HETATM 1294 O35 PNS A 84 3.913 13.151 2.311 1.00 0.00 O HETATM 1295 N36 PNS A 84 6.156 12.881 1.958 1.00 0.00 N HETATM 1296 C37 PNS A 84 6.076 12.103 0.700 1.00 0.00 C HETATM 1297 C38 PNS A 84 5.624 10.626 0.925 1.00 0.00 C HETATM 1298 C39 PNS A 84 4.109 10.415 0.939 1.00 0.00 C HETATM 1299 O40 PNS A 84 3.357 11.262 0.448 1.00 0.00 O HETATM 1300 N41 PNS A 84 3.678 9.240 1.437 1.00 0.00 N HETATM 1301 C42 PNS A 84 2.251 8.849 1.535 1.00 0.00 C HETATM 1302 C43 PNS A 84 1.421 9.790 2.405 1.00 0.00 C HETATM 1303 S44 PNS A 84 -0.225 9.150 2.776 1.00 0.00 S HETATM 0 H432 PNS A 84 1.952 9.973 3.339 1.00 0.00 H new HETATM 0 H431 PNS A 84 1.325 10.751 1.900 1.00 0.00 H new HETATM 0 H422 PNS A 84 2.186 7.839 1.941 1.00 0.00 H new HETATM 0 H421 PNS A 84 1.821 8.818 0.534 1.00 0.00 H new HETATM 0 H382 PNS A 84 6.035 10.275 1.872 1.00 0.00 H new HETATM 0 H381 PNS A 84 6.056 10.005 0.140 1.00 0.00 H new HETATM 0 H372 PNS A 84 7.051 12.109 0.213 1.00 0.00 H new HETATM 0 H371 PNS A 84 5.377 12.592 0.021 1.00 0.00 H new HETATM 0 H313 PNS A 84 7.549 12.324 3.769 1.00 0.00 H new HETATM 0 H312 PNS A 84 7.924 12.193 5.504 1.00 0.00 H new HETATM 0 H311 PNS A 84 8.070 13.763 4.678 1.00 0.00 H new HETATM 0 H303 PNS A 84 5.291 11.313 4.170 1.00 0.00 H new HETATM 0 H302 PNS A 84 4.215 11.975 5.424 1.00 0.00 H new HETATM 0 H301 PNS A 84 5.725 11.156 5.889 1.00 0.00 H new HETATM 0 H282 PNS A 84 6.270 13.179 7.243 1.00 0.00 H new HETATM 0 H281 PNS A 84 6.739 14.676 6.463 1.00 0.00 H new HETATM 0 H44 PNS A 84 -0.261 7.875 2.526 1.00 0.00 H new HETATM 0 H41 PNS A 84 4.378 8.576 1.768 1.00 0.00 H new HETATM 0 H36 PNS A 84 7.084 13.108 2.317 1.00 0.00 H new HETATM 0 H33 PNS A 84 5.854 15.746 2.981 1.00 0.00 H new HETATM 0 H32 PNS A 84 4.432 14.469 4.360 1.00 0.00 H new