USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 8 ASN :FLIP amide:sc= -0.261 F(o=-0.32,f=0.21) USER MOD Set 1.2: A 10 SER OG : rot 180:sc= 0.473 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.00535) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.756 (180deg=0.0415) USER MOD Single : A 9 SER OG : rot -42:sc= 0.639 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.69 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0893 K(o=-0.089,f=-0.75) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.0971 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.0211 X(o=0.021,f=0.47) USER MOD Single : A 40 GLN : amide:sc= -0.423 K(o=-0.42,f=-9.5!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00493 (180deg=-0.109) USER MOD Single : A 52 ASN : amide:sc= -0.0247 K(o=-0.025,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -58:sc= 0.0706 USER MOD Single : A 57 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.4) USER MOD Single : A 58 ASN : amide:sc= 0.282 K(o=0.28,f=-4.4!) USER MOD Single : A 59 CYS SG : rot 76:sc= 0.714 USER MOD Single : A 63 GLN : amide:sc= -0.0816 K(o=-0.082,f=-0.68) USER MOD Single : A 64 GLN : amide:sc= -1.41 K(o=-1.4,f=-6.4!) USER MOD Single : A 68 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.77) USER MOD Single : A 71 GLN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.713) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.249 -0.401 0.206 1.00 0.00 N ATOM 2 CA MET A 1 3.018 -0.439 -1.058 1.00 0.00 C ATOM 3 C MET A 1 2.497 -1.541 -1.963 1.00 0.00 C ATOM 4 O MET A 1 1.812 -2.459 -1.503 1.00 0.00 O ATOM 5 CB MET A 1 4.520 -0.629 -0.789 1.00 0.00 C ATOM 6 CG MET A 1 4.888 -1.943 -0.118 1.00 0.00 C ATOM 7 SD MET A 1 6.668 -2.088 0.166 1.00 0.00 S ATOM 8 CE MET A 1 6.770 -3.719 0.897 1.00 0.00 C ATOM 0 H1 MET A 1 1.612 0.421 0.200 1.00 0.00 H new ATOM 0 H2 MET A 1 1.689 -1.273 0.298 1.00 0.00 H new ATOM 0 H3 MET A 1 2.905 -0.325 1.009 1.00 0.00 H new ATOM 0 HA MET A 1 2.885 0.519 -1.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.056 -0.558 -1.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.869 0.192 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.362 -2.023 0.833 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.552 -2.773 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.739 -3.840 1.382 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.977 -3.837 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.656 -4.474 0.119 1.00 0.00 H new ATOM 20 N ILE A 2 2.812 -1.451 -3.243 1.00 0.00 N ATOM 21 CA ILE A 2 2.367 -2.442 -4.208 1.00 0.00 C ATOM 22 C ILE A 2 3.542 -3.271 -4.695 1.00 0.00 C ATOM 23 O ILE A 2 4.413 -2.775 -5.408 1.00 0.00 O ATOM 24 CB ILE A 2 1.665 -1.781 -5.421 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.476 -0.934 -4.953 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.209 -2.845 -6.417 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.233 -0.199 -6.073 1.00 0.00 C ATOM 0 H ILE A 2 3.376 -0.699 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 2 1.648 -3.087 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 2 2.378 -1.126 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.240 -1.580 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.826 -0.208 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.718 -2.365 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.074 -3.407 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.510 -3.524 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.062 0.378 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.468 0.474 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.615 -0.919 -6.796 1.00 0.00 H new ATOM 39 N VAL A 3 3.563 -4.527 -4.307 1.00 0.00 N ATOM 40 CA VAL A 3 4.630 -5.423 -4.704 1.00 0.00 C ATOM 41 C VAL A 3 4.153 -6.344 -5.810 1.00 0.00 C ATOM 42 O VAL A 3 2.955 -6.482 -6.036 1.00 0.00 O ATOM 43 CB VAL A 3 5.143 -6.272 -3.512 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.690 -5.373 -2.415 1.00 0.00 C ATOM 45 CG2 VAL A 3 4.040 -7.174 -2.965 1.00 0.00 C ATOM 0 H VAL A 3 2.851 -4.954 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 3 5.455 -4.808 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 3 5.950 -6.909 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.046 -5.985 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.516 -4.780 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.901 -4.708 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.428 -7.758 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.205 -6.562 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.698 -7.848 -3.751 1.00 0.00 H new ATOM 55 N PHE A 4 5.078 -6.955 -6.504 1.00 0.00 N ATOM 56 CA PHE A 4 4.734 -7.874 -7.565 1.00 0.00 C ATOM 57 C PHE A 4 4.964 -9.300 -7.110 1.00 0.00 C ATOM 58 O PHE A 4 5.919 -9.578 -6.375 1.00 0.00 O ATOM 59 CB PHE A 4 5.534 -7.564 -8.829 1.00 0.00 C ATOM 60 CG PHE A 4 5.088 -6.309 -9.529 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.382 -5.060 -9.004 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.375 -6.384 -10.711 1.00 0.00 C ATOM 63 CE1 PHE A 4 4.970 -3.911 -9.647 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.960 -5.237 -11.357 1.00 0.00 C ATOM 65 CZ PHE A 4 4.259 -4.000 -10.824 1.00 0.00 C ATOM 0 H PHE A 4 6.080 -6.834 -6.355 1.00 0.00 H new ATOM 0 HA PHE A 4 3.677 -7.755 -7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.588 -7.470 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.450 -8.404 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.939 -4.986 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.140 -7.350 -11.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.204 -2.943 -9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.402 -5.308 -12.279 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.936 -3.102 -11.329 1.00 0.00 H new ATOM 75 N VAL A 5 4.101 -10.204 -7.532 1.00 0.00 N ATOM 76 CA VAL A 5 4.194 -11.582 -7.099 1.00 0.00 C ATOM 77 C VAL A 5 3.902 -12.564 -8.254 1.00 0.00 C ATOM 78 O VAL A 5 3.019 -12.327 -9.076 1.00 0.00 O ATOM 79 CB VAL A 5 3.221 -11.830 -5.917 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.775 -11.808 -6.366 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.546 -13.109 -5.192 1.00 0.00 C ATOM 0 H VAL A 5 3.331 -10.009 -8.172 1.00 0.00 H new ATOM 0 HA VAL A 5 5.217 -11.763 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 5 3.357 -11.008 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.125 -11.986 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.544 -10.836 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.614 -12.587 -7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.844 -13.250 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.469 -13.949 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.561 -13.056 -4.797 1.00 0.00 H new ATOM 91 N ARG A 6 4.672 -13.647 -8.315 1.00 0.00 N ATOM 92 CA ARG A 6 4.489 -14.676 -9.336 1.00 0.00 C ATOM 93 C ARG A 6 3.937 -15.951 -8.726 1.00 0.00 C ATOM 94 O ARG A 6 4.689 -16.754 -8.170 1.00 0.00 O ATOM 95 CB ARG A 6 5.815 -14.999 -10.048 1.00 0.00 C ATOM 96 CG ARG A 6 6.365 -13.875 -10.892 1.00 0.00 C ATOM 97 CD ARG A 6 7.640 -14.290 -11.615 1.00 0.00 C ATOM 98 NE ARG A 6 7.415 -15.402 -12.546 1.00 0.00 N ATOM 99 CZ ARG A 6 8.385 -16.029 -13.225 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.646 -15.626 -13.115 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.094 -17.049 -14.019 1.00 0.00 N ATOM 0 H ARG A 6 5.434 -13.836 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 6 3.779 -14.282 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.558 -15.270 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.668 -15.874 -10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.616 -13.567 -11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.569 -13.011 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.039 -13.436 -12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.393 -14.579 -10.882 1.00 0.00 H new ATOM 0 HE ARG A 6 6.456 -15.719 -12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.878 -14.837 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.382 -16.106 -13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.128 -17.360 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.836 -17.523 -14.534 1.00 0.00 H new ATOM 115 N PHE A 7 2.636 -16.136 -8.812 1.00 0.00 N ATOM 116 CA PHE A 7 2.019 -17.346 -8.302 1.00 0.00 C ATOM 117 C PHE A 7 2.120 -18.450 -9.342 1.00 0.00 C ATOM 118 O PHE A 7 2.025 -18.182 -10.543 1.00 0.00 O ATOM 119 CB PHE A 7 0.551 -17.106 -7.926 1.00 0.00 C ATOM 120 CG PHE A 7 -0.121 -18.327 -7.360 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.026 -18.652 -6.024 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.885 -19.158 -8.167 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.573 -19.778 -5.502 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.489 -20.285 -7.648 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.330 -20.597 -6.314 1.00 0.00 C ATOM 0 H PHE A 7 1.987 -15.468 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 7 2.550 -17.648 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.497 -16.298 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.005 -16.775 -8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.617 -18.016 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.008 -18.920 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.450 -20.019 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.085 -20.921 -8.285 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.797 -21.481 -5.906 1.00 0.00 H new ATOM 135 N ASN A 8 2.361 -19.687 -8.880 1.00 0.00 N ATOM 136 CA ASN A 8 2.458 -20.860 -9.770 1.00 0.00 C ATOM 137 C ASN A 8 3.672 -20.709 -10.696 1.00 0.00 C ATOM 138 O ASN A 8 3.821 -21.427 -11.685 1.00 0.00 O ATOM 139 CB ASN A 8 1.136 -21.022 -10.577 1.00 0.00 C ATOM 140 CG ASN A 8 1.079 -22.274 -11.445 1.00 0.00 C ATOM 141 OD1 ASN A 8 0.648 -23.376 -10.871 1.00 0.00 O flip ATOM 142 ND2 ASN A 8 1.417 -22.240 -12.628 1.00 0.00 N flip ATOM 0 H ASN A 8 2.493 -19.903 -7.892 1.00 0.00 H new ATOM 0 HA ASN A 8 2.599 -21.763 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.298 -21.039 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.003 -20.147 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.746 -21.367 -13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.368 -23.085 -13.197 1.00 0.00 H new ATOM 149 N SER A 9 4.550 -19.767 -10.336 1.00 0.00 N ATOM 150 CA SER A 9 5.737 -19.448 -11.118 1.00 0.00 C ATOM 151 C SER A 9 5.335 -18.889 -12.491 1.00 0.00 C ATOM 152 O SER A 9 6.133 -18.859 -13.426 1.00 0.00 O ATOM 153 CB SER A 9 6.640 -20.688 -11.259 1.00 0.00 C ATOM 154 OG SER A 9 7.859 -20.375 -11.911 1.00 0.00 O ATOM 0 H SER A 9 4.452 -19.205 -9.490 1.00 0.00 H new ATOM 0 HA SER A 9 6.308 -18.680 -10.596 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.850 -21.100 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.114 -21.460 -11.821 1.00 0.00 H new ATOM 0 HG SER A 9 7.681 -19.779 -12.669 1.00 0.00 H new ATOM 160 N SER A 10 4.097 -18.428 -12.588 1.00 0.00 N ATOM 161 CA SER A 10 3.577 -17.869 -13.818 1.00 0.00 C ATOM 162 C SER A 10 3.860 -16.365 -13.885 1.00 0.00 C ATOM 163 O SER A 10 4.771 -15.869 -13.206 1.00 0.00 O ATOM 164 CB SER A 10 2.079 -18.142 -13.904 1.00 0.00 C ATOM 165 OG SER A 10 1.814 -19.536 -13.861 1.00 0.00 O ATOM 0 H SER A 10 3.430 -18.433 -11.817 1.00 0.00 H new ATOM 0 HA SER A 10 4.073 -18.341 -14.666 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.567 -17.645 -13.080 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.681 -17.721 -14.827 1.00 0.00 H new ATOM 0 HG SER A 10 0.847 -19.687 -13.916 1.00 0.00 H new ATOM 171 N HIS A 11 3.094 -15.646 -14.704 1.00 0.00 N ATOM 172 CA HIS A 11 3.272 -14.207 -14.862 1.00 0.00 C ATOM 173 C HIS A 11 3.035 -13.487 -13.537 1.00 0.00 C ATOM 174 O HIS A 11 2.103 -13.816 -12.795 1.00 0.00 O ATOM 175 CB HIS A 11 2.330 -13.660 -15.947 1.00 0.00 C ATOM 176 CG HIS A 11 2.553 -12.210 -16.271 1.00 0.00 C ATOM 177 ND1 HIS A 11 1.599 -11.259 -16.004 1.00 0.00 N ATOM 178 CD2 HIS A 11 3.628 -11.612 -16.836 1.00 0.00 C ATOM 179 CE1 HIS A 11 2.115 -10.108 -16.407 1.00 0.00 C ATOM 180 NE2 HIS A 11 3.339 -10.272 -16.916 1.00 0.00 N ATOM 0 H HIS A 11 2.342 -16.040 -15.269 1.00 0.00 H new ATOM 0 HA HIS A 11 4.300 -14.023 -15.175 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.457 -14.249 -16.855 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.299 -13.795 -15.621 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.537 -12.095 -17.161 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.610 -9.156 -16.333 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.943 -9.542 -17.292 1.00 0.00 H new ATOM 188 N GLY A 12 3.882 -12.520 -13.247 1.00 0.00 N ATOM 189 CA GLY A 12 3.770 -11.786 -12.015 1.00 0.00 C ATOM 190 C GLY A 12 2.693 -10.729 -12.055 1.00 0.00 C ATOM 191 O GLY A 12 2.552 -10.014 -13.046 1.00 0.00 O ATOM 0 H GLY A 12 4.652 -12.229 -13.850 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.560 -12.481 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.727 -11.314 -11.791 1.00 0.00 H new ATOM 195 N PHE A 13 1.939 -10.628 -10.981 1.00 0.00 N ATOM 196 CA PHE A 13 0.885 -9.642 -10.879 1.00 0.00 C ATOM 197 C PHE A 13 1.091 -8.769 -9.640 1.00 0.00 C ATOM 198 O PHE A 13 1.635 -9.230 -8.633 1.00 0.00 O ATOM 199 CB PHE A 13 -0.503 -10.315 -10.865 1.00 0.00 C ATOM 200 CG PHE A 13 -0.748 -11.279 -9.725 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.420 -10.868 -8.587 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.333 -12.600 -9.808 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.672 -11.750 -7.556 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.580 -13.485 -8.774 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.253 -13.058 -7.647 1.00 0.00 C ATOM 0 H PHE A 13 2.038 -11.223 -10.159 1.00 0.00 H new ATOM 0 HA PHE A 13 0.928 -8.999 -11.758 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.265 -9.536 -10.829 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.638 -10.850 -11.805 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.752 -9.843 -8.505 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.189 -12.941 -10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.199 -11.413 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.246 -14.510 -8.848 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.450 -13.748 -6.840 1.00 0.00 H new ATOM 215 N PRO A 14 0.688 -7.489 -9.711 1.00 0.00 N ATOM 216 CA PRO A 14 0.850 -6.546 -8.602 1.00 0.00 C ATOM 217 C PRO A 14 -0.167 -6.759 -7.476 1.00 0.00 C ATOM 218 O PRO A 14 -1.378 -6.875 -7.714 1.00 0.00 O ATOM 219 CB PRO A 14 0.630 -5.188 -9.269 1.00 0.00 C ATOM 220 CG PRO A 14 -0.288 -5.472 -10.407 1.00 0.00 C ATOM 221 CD PRO A 14 0.052 -6.858 -10.886 1.00 0.00 C ATOM 0 HA PRO A 14 1.820 -6.657 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.191 -4.472 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.570 -4.760 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.329 -5.414 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.156 -4.741 -11.205 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.838 -7.403 -11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.728 -6.832 -11.741 1.00 0.00 H new ATOM 229 N VAL A 15 0.333 -6.809 -6.254 1.00 0.00 N ATOM 230 CA VAL A 15 -0.494 -6.980 -5.076 1.00 0.00 C ATOM 231 C VAL A 15 -0.244 -5.847 -4.087 1.00 0.00 C ATOM 232 O VAL A 15 0.883 -5.646 -3.620 1.00 0.00 O ATOM 233 CB VAL A 15 -0.235 -8.349 -4.380 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.991 -8.442 -3.061 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.649 -9.485 -5.290 1.00 0.00 C ATOM 0 H VAL A 15 1.330 -6.732 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.534 -6.959 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 15 0.832 -8.426 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.793 -9.407 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.661 -7.644 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.060 -8.341 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.463 -10.437 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.711 -9.398 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.072 -9.440 -6.214 1.00 0.00 H new ATOM 245 N GLU A 16 -1.287 -5.095 -3.796 1.00 0.00 N ATOM 246 CA GLU A 16 -1.198 -4.001 -2.855 1.00 0.00 C ATOM 247 C GLU A 16 -1.293 -4.534 -1.435 1.00 0.00 C ATOM 248 O GLU A 16 -2.232 -5.259 -1.095 1.00 0.00 O ATOM 249 CB GLU A 16 -2.317 -2.991 -3.107 1.00 0.00 C ATOM 250 CG GLU A 16 -2.267 -1.777 -2.194 1.00 0.00 C ATOM 251 CD GLU A 16 -3.485 -0.901 -2.334 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.437 0.072 -3.111 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.503 -1.184 -1.666 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.213 -5.225 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.239 -3.501 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.265 -2.657 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.278 -3.489 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.178 -2.108 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.375 -1.193 -2.420 1.00 0.00 H new ATOM 260 N VAL A 17 -0.317 -4.192 -0.621 1.00 0.00 N ATOM 261 CA VAL A 17 -0.290 -4.632 0.759 1.00 0.00 C ATOM 262 C VAL A 17 -0.078 -3.453 1.686 1.00 0.00 C ATOM 263 O VAL A 17 0.424 -2.397 1.266 1.00 0.00 O ATOM 264 CB VAL A 17 0.828 -5.676 1.013 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.650 -6.886 0.118 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.208 -5.061 0.815 1.00 0.00 C ATOM 0 H VAL A 17 0.473 -3.607 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.254 -5.100 0.961 1.00 0.00 H new ATOM 0 HB VAL A 17 0.749 -6.003 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.446 -7.604 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.315 -7.350 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.691 -6.576 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.973 -5.816 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.300 -4.694 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.340 -4.233 1.511 1.00 0.00 H new ATOM 276 N ASP A 18 -0.452 -3.623 2.934 1.00 0.00 N ATOM 277 CA ASP A 18 -0.258 -2.595 3.927 1.00 0.00 C ATOM 278 C ASP A 18 1.116 -2.744 4.529 1.00 0.00 C ATOM 279 O ASP A 18 1.723 -3.809 4.442 1.00 0.00 O ATOM 280 CB ASP A 18 -1.319 -2.682 5.032 1.00 0.00 C ATOM 281 CG ASP A 18 -2.708 -2.343 4.547 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.090 -1.156 4.610 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.428 -3.261 4.105 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.896 -4.471 3.286 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.354 -1.622 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.321 -3.690 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.048 -2.005 5.842 1.00 0.00 H new ATOM 288 N SER A 19 1.607 -1.699 5.139 1.00 0.00 N ATOM 289 CA SER A 19 2.916 -1.740 5.750 1.00 0.00 C ATOM 290 C SER A 19 2.914 -2.649 6.980 1.00 0.00 C ATOM 291 O SER A 19 3.945 -3.211 7.357 1.00 0.00 O ATOM 292 CB SER A 19 3.358 -0.324 6.105 1.00 0.00 C ATOM 293 OG SER A 19 2.295 0.404 6.699 1.00 0.00 O ATOM 0 H SER A 19 1.123 -0.806 5.228 1.00 0.00 H new ATOM 0 HA SER A 19 3.629 -2.159 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.204 -0.364 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.699 0.191 5.207 1.00 0.00 H new ATOM 0 HG SER A 19 2.601 1.308 6.920 1.00 0.00 H new ATOM 299 N ASP A 20 1.746 -2.820 7.575 1.00 0.00 N ATOM 300 CA ASP A 20 1.612 -3.648 8.761 1.00 0.00 C ATOM 301 C ASP A 20 1.261 -5.091 8.384 1.00 0.00 C ATOM 302 O ASP A 20 1.127 -5.956 9.249 1.00 0.00 O ATOM 303 CB ASP A 20 0.550 -3.067 9.695 1.00 0.00 C ATOM 304 CG ASP A 20 0.557 -3.710 11.066 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.432 -3.351 11.890 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.320 -4.556 11.340 1.00 0.00 O1- ATOM 0 H ASP A 20 0.875 -2.396 7.255 1.00 0.00 H new ATOM 0 HA ASP A 20 2.570 -3.657 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.714 -1.995 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.434 -3.196 9.244 1.00 0.00 H new ATOM 311 N THR A 21 1.129 -5.347 7.090 1.00 0.00 N ATOM 312 CA THR A 21 0.800 -6.671 6.611 1.00 0.00 C ATOM 313 C THR A 21 1.982 -7.612 6.807 1.00 0.00 C ATOM 314 O THR A 21 3.073 -7.357 6.315 1.00 0.00 O ATOM 315 CB THR A 21 0.405 -6.634 5.114 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.741 -5.795 4.942 1.00 0.00 O ATOM 317 CG2 THR A 21 0.095 -8.030 4.586 1.00 0.00 C ATOM 0 H THR A 21 1.246 -4.649 6.355 1.00 0.00 H new ATOM 0 HA THR A 21 -0.050 -7.037 7.187 1.00 0.00 H new ATOM 0 HB THR A 21 1.249 -6.236 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.348 -6.200 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.179 -7.968 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.975 -8.664 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.733 -8.457 5.151 1.00 0.00 H new ATOM 325 N SER A 22 1.773 -8.670 7.557 1.00 0.00 N ATOM 326 CA SER A 22 2.816 -9.643 7.782 1.00 0.00 C ATOM 327 C SER A 22 2.909 -10.592 6.591 1.00 0.00 C ATOM 328 O SER A 22 1.940 -10.754 5.844 1.00 0.00 O ATOM 329 CB SER A 22 2.543 -10.417 9.072 1.00 0.00 C ATOM 330 OG SER A 22 2.379 -9.526 10.166 1.00 0.00 O ATOM 0 H SER A 22 0.889 -8.878 8.022 1.00 0.00 H new ATOM 0 HA SER A 22 3.770 -9.127 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.646 -11.025 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.368 -11.101 9.274 1.00 0.00 H new ATOM 0 HG SER A 22 2.203 -10.039 10.982 1.00 0.00 H new ATOM 336 N ILE A 23 4.073 -11.204 6.407 1.00 0.00 N ATOM 337 CA ILE A 23 4.296 -12.140 5.304 1.00 0.00 C ATOM 338 C ILE A 23 3.270 -13.275 5.343 1.00 0.00 C ATOM 339 O ILE A 23 2.774 -13.709 4.306 1.00 0.00 O ATOM 340 CB ILE A 23 5.733 -12.727 5.338 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.777 -11.598 5.313 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.962 -13.692 4.175 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.696 -10.707 4.088 1.00 0.00 C ATOM 0 H ILE A 23 4.884 -11.069 7.011 1.00 0.00 H new ATOM 0 HA ILE A 23 4.177 -11.583 4.375 1.00 0.00 H new ATOM 0 HB ILE A 23 5.846 -13.286 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.653 -10.984 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.773 -12.038 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.977 -14.087 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.249 -14.514 4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.824 -13.164 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.465 -9.937 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.851 -11.307 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.714 -10.236 4.045 1.00 0.00 H new ATOM 355 N PHE A 24 2.948 -13.730 6.551 1.00 0.00 N ATOM 356 CA PHE A 24 1.947 -14.773 6.751 1.00 0.00 C ATOM 357 C PHE A 24 0.606 -14.325 6.190 1.00 0.00 C ATOM 358 O PHE A 24 -0.078 -15.080 5.501 1.00 0.00 O ATOM 359 CB PHE A 24 1.801 -15.081 8.244 1.00 0.00 C ATOM 360 CG PHE A 24 0.886 -16.234 8.547 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.257 -17.530 8.230 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.341 -16.023 9.155 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.424 -18.592 8.512 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.180 -17.081 9.439 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.797 -18.369 9.118 1.00 0.00 C ATOM 0 H PHE A 24 3.371 -13.388 7.414 1.00 0.00 H new ATOM 0 HA PHE A 24 2.271 -15.673 6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.786 -15.295 8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.428 -14.192 8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.210 -17.711 7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.644 -15.018 9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.726 -19.598 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.135 -16.903 9.911 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.451 -19.199 9.340 1.00 0.00 H new ATOM 375 N GLN A 25 0.250 -13.080 6.477 1.00 0.00 N ATOM 376 CA GLN A 25 -1.001 -12.519 6.007 1.00 0.00 C ATOM 377 C GLN A 25 -0.982 -12.388 4.503 1.00 0.00 C ATOM 378 O GLN A 25 -1.910 -12.803 3.842 1.00 0.00 O ATOM 379 CB GLN A 25 -1.262 -11.157 6.648 1.00 0.00 C ATOM 380 CG GLN A 25 -1.278 -11.190 8.163 1.00 0.00 C ATOM 381 CD GLN A 25 -2.296 -12.162 8.722 1.00 0.00 C ATOM 382 OE1 GLN A 25 -3.344 -12.409 8.117 1.00 0.00 O ATOM 383 NE2 GLN A 25 -1.997 -12.718 9.875 1.00 0.00 N ATOM 0 H GLN A 25 0.815 -12.440 7.036 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.806 -13.195 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.495 -10.456 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.219 -10.775 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.287 -11.462 8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.493 -10.190 8.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.120 -12.486 10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.642 -13.382 10.304 1.00 0.00 H new ATOM 392 N LEU A 26 0.099 -11.823 3.967 1.00 0.00 N ATOM 393 CA LEU A 26 0.255 -11.670 2.520 1.00 0.00 C ATOM 394 C LEU A 26 0.133 -13.024 1.827 1.00 0.00 C ATOM 395 O LEU A 26 -0.540 -13.154 0.800 1.00 0.00 O ATOM 396 CB LEU A 26 1.609 -11.016 2.196 1.00 0.00 C ATOM 397 CG LEU A 26 2.009 -10.980 0.714 1.00 0.00 C ATOM 398 CD1 LEU A 26 0.919 -10.341 -0.130 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.322 -10.234 0.542 1.00 0.00 C ATOM 0 H LEU A 26 0.881 -11.463 4.514 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.539 -11.022 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.593 -9.993 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.386 -11.546 2.747 1.00 0.00 H new ATOM 0 HG LEU A 26 2.141 -12.006 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.228 -10.328 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.002 -10.916 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.747 -9.320 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.594 -10.216 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.211 -9.213 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.104 -10.738 1.110 1.00 0.00 H new ATOM 411 N LYS A 27 0.775 -14.024 2.410 1.00 0.00 N ATOM 412 CA LYS A 27 0.714 -15.385 1.908 1.00 0.00 C ATOM 413 C LYS A 27 -0.733 -15.857 1.855 1.00 0.00 C ATOM 414 O LYS A 27 -1.189 -16.400 0.843 1.00 0.00 O ATOM 415 CB LYS A 27 1.524 -16.300 2.828 1.00 0.00 C ATOM 416 CG LYS A 27 1.537 -17.758 2.413 1.00 0.00 C ATOM 417 CD LYS A 27 2.282 -18.607 3.428 1.00 0.00 C ATOM 418 CE LYS A 27 2.262 -20.069 3.043 1.00 0.00 C ATOM 419 NZ LYS A 27 2.912 -20.925 4.064 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.352 -13.914 3.244 1.00 0.00 H new ATOM 0 HA LYS A 27 1.132 -15.417 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.551 -15.937 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.121 -16.227 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.514 -18.120 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.008 -17.857 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.314 -18.263 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.830 -18.482 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.230 -20.392 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.769 -20.198 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.345 -21.749 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.647 -20.379 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.200 -21.248 4.750 1.00 0.00 H new ATOM 433 N GLU A 28 -1.452 -15.630 2.943 1.00 0.00 N ATOM 434 CA GLU A 28 -2.836 -16.024 3.035 1.00 0.00 C ATOM 435 C GLU A 28 -3.723 -15.190 2.116 1.00 0.00 C ATOM 436 O GLU A 28 -4.651 -15.708 1.540 1.00 0.00 O ATOM 437 CB GLU A 28 -3.332 -15.940 4.471 1.00 0.00 C ATOM 438 CG GLU A 28 -2.743 -16.993 5.390 1.00 0.00 C ATOM 439 CD GLU A 28 -3.585 -17.215 6.628 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.768 -18.385 7.025 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.097 -16.227 7.192 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.089 -15.170 3.778 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.898 -17.061 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.097 -14.953 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.418 -16.035 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.646 -17.933 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.738 -16.692 5.687 1.00 0.00 H new ATOM 448 N VAL A 29 -3.427 -13.901 1.987 1.00 0.00 N ATOM 449 CA VAL A 29 -4.210 -13.011 1.121 1.00 0.00 C ATOM 450 C VAL A 29 -4.192 -13.504 -0.322 1.00 0.00 C ATOM 451 O VAL A 29 -5.243 -13.640 -0.951 1.00 0.00 O ATOM 452 CB VAL A 29 -3.701 -11.543 1.176 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.411 -10.681 0.135 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.909 -10.957 2.563 1.00 0.00 C ATOM 0 H VAL A 29 -2.652 -13.445 2.468 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.233 -13.028 1.497 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.634 -11.550 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.038 -9.659 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.219 -11.081 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.484 -10.687 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.547 -9.929 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.971 -10.972 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.359 -11.549 3.294 1.00 0.00 H new ATOM 464 N VAL A 30 -3.001 -13.789 -0.835 1.00 0.00 N ATOM 465 CA VAL A 30 -2.858 -14.283 -2.199 1.00 0.00 C ATOM 466 C VAL A 30 -3.566 -15.629 -2.349 1.00 0.00 C ATOM 467 O VAL A 30 -4.322 -15.850 -3.303 1.00 0.00 O ATOM 468 CB VAL A 30 -1.367 -14.431 -2.596 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.231 -14.986 -4.008 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.648 -13.096 -2.480 1.00 0.00 C ATOM 0 H VAL A 30 -2.122 -13.687 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.317 -13.553 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.904 -15.137 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.175 -15.080 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.706 -15.966 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.715 -14.310 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.397 -13.220 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.119 -12.370 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.706 -12.740 -1.451 1.00 0.00 H new ATOM 480 N ALA A 31 -3.341 -16.506 -1.379 1.00 0.00 N ATOM 481 CA ALA A 31 -3.941 -17.830 -1.381 1.00 0.00 C ATOM 482 C ALA A 31 -5.462 -17.750 -1.298 1.00 0.00 C ATOM 483 O ALA A 31 -6.168 -18.435 -2.024 1.00 0.00 O ATOM 484 CB ALA A 31 -3.399 -18.651 -0.224 1.00 0.00 C ATOM 0 H ALA A 31 -2.742 -16.320 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.679 -18.316 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.855 -19.641 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.318 -18.749 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.634 -18.154 0.717 1.00 0.00 H new ATOM 490 N LYS A 32 -5.945 -16.900 -0.418 1.00 0.00 N ATOM 491 CA LYS A 32 -7.363 -16.715 -0.187 1.00 0.00 C ATOM 492 C LYS A 32 -8.038 -16.122 -1.417 1.00 0.00 C ATOM 493 O LYS A 32 -9.133 -16.539 -1.796 1.00 0.00 O ATOM 494 CB LYS A 32 -7.532 -15.780 0.999 1.00 0.00 C ATOM 495 CG LYS A 32 -8.941 -15.615 1.508 1.00 0.00 C ATOM 496 CD LYS A 32 -8.991 -14.513 2.551 1.00 0.00 C ATOM 497 CE LYS A 32 -8.049 -14.798 3.723 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.001 -13.675 4.692 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.355 -16.308 0.167 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.830 -17.679 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.911 -16.145 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.149 -14.798 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.609 -15.375 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.292 -16.552 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.721 -13.563 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.011 -14.409 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.374 -15.704 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.046 -14.989 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.351 -13.913 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.666 -12.816 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.953 -13.508 5.077 1.00 0.00 H new ATOM 512 N ARG A 33 -7.366 -15.162 -2.039 1.00 0.00 N ATOM 513 CA ARG A 33 -7.895 -14.471 -3.209 1.00 0.00 C ATOM 514 C ARG A 33 -8.114 -15.447 -4.359 1.00 0.00 C ATOM 515 O ARG A 33 -9.149 -15.421 -5.023 1.00 0.00 O ATOM 516 CB ARG A 33 -6.928 -13.375 -3.653 1.00 0.00 C ATOM 517 CG ARG A 33 -7.558 -12.321 -4.542 1.00 0.00 C ATOM 518 CD ARG A 33 -6.509 -11.443 -5.201 1.00 0.00 C ATOM 519 NE ARG A 33 -5.998 -12.032 -6.438 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.260 -11.369 -7.334 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.925 -10.098 -7.112 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.865 -11.975 -8.451 1.00 0.00 N ATOM 0 H ARG A 33 -6.442 -14.841 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.852 -14.026 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.514 -12.890 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.094 -13.834 -4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.162 -12.806 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.232 -11.701 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.939 -10.465 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.683 -11.283 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.218 -13.009 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.232 -9.631 -6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.362 -9.592 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.125 -12.946 -8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.302 -11.469 -9.134 1.00 0.00 H new ATOM 536 N GLN A 34 -7.132 -16.305 -4.586 1.00 0.00 N ATOM 537 CA GLN A 34 -7.199 -17.269 -5.672 1.00 0.00 C ATOM 538 C GLN A 34 -7.942 -18.533 -5.256 1.00 0.00 C ATOM 539 O GLN A 34 -8.441 -19.277 -6.099 1.00 0.00 O ATOM 540 CB GLN A 34 -5.798 -17.602 -6.164 1.00 0.00 C ATOM 541 CG GLN A 34 -5.064 -16.401 -6.733 1.00 0.00 C ATOM 542 CD GLN A 34 -3.700 -16.755 -7.260 1.00 0.00 C ATOM 543 OE1 GLN A 34 -2.711 -16.693 -6.545 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.640 -17.134 -8.516 1.00 0.00 N ATOM 0 H GLN A 34 -6.277 -16.353 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.761 -16.817 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.219 -18.016 -5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.863 -18.376 -6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.658 -15.963 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.965 -15.640 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.490 -17.172 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.743 -17.390 -8.929 1.00 0.00 H new ATOM 553 N GLY A 35 -8.010 -18.769 -3.961 1.00 0.00 N ATOM 554 CA GLY A 35 -8.721 -19.919 -3.454 1.00 0.00 C ATOM 555 C GLY A 35 -7.864 -21.164 -3.396 1.00 0.00 C ATOM 556 O GLY A 35 -8.313 -22.247 -3.765 1.00 0.00 O ATOM 0 H GLY A 35 -7.583 -18.181 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.097 -19.696 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.589 -20.111 -4.085 1.00 0.00 H new ATOM 560 N VAL A 36 -6.637 -21.012 -2.932 1.00 0.00 N ATOM 561 CA VAL A 36 -5.717 -22.134 -2.821 1.00 0.00 C ATOM 562 C VAL A 36 -5.288 -22.333 -1.367 1.00 0.00 C ATOM 563 O VAL A 36 -5.320 -21.392 -0.573 1.00 0.00 O ATOM 564 CB VAL A 36 -4.457 -21.946 -3.711 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.836 -21.916 -5.180 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.704 -20.682 -3.331 1.00 0.00 C ATOM 0 H VAL A 36 -6.251 -20.119 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.250 -23.018 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.798 -22.798 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.939 -21.784 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.320 -22.854 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.522 -21.088 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.827 -20.575 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.355 -19.818 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.389 -20.745 -2.289 1.00 0.00 H new ATOM 576 N PRO A 37 -4.894 -23.565 -0.996 1.00 0.00 N ATOM 577 CA PRO A 37 -4.450 -23.872 0.365 1.00 0.00 C ATOM 578 C PRO A 37 -3.145 -23.162 0.713 1.00 0.00 C ATOM 579 O PRO A 37 -2.106 -23.397 0.089 1.00 0.00 O ATOM 580 CB PRO A 37 -4.235 -25.396 0.349 1.00 0.00 C ATOM 581 CG PRO A 37 -4.924 -25.879 -0.882 1.00 0.00 C ATOM 582 CD PRO A 37 -4.859 -24.750 -1.862 1.00 0.00 C ATOM 0 HA PRO A 37 -5.174 -23.542 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.174 -25.643 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.653 -25.861 1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.435 -26.769 -1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.958 -26.152 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.949 -24.786 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.699 -24.768 -2.556 1.00 0.00 H new ATOM 590 N ALA A 38 -3.201 -22.296 1.708 1.00 0.00 N ATOM 591 CA ALA A 38 -2.029 -21.552 2.140 1.00 0.00 C ATOM 592 C ALA A 38 -1.096 -22.437 2.957 1.00 0.00 C ATOM 593 O ALA A 38 0.107 -22.207 3.004 1.00 0.00 O ATOM 594 CB ALA A 38 -2.443 -20.327 2.939 1.00 0.00 C ATOM 0 H ALA A 38 -4.049 -22.089 2.235 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.489 -21.220 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.554 -19.781 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.064 -19.681 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.008 -20.639 3.817 1.00 0.00 H new ATOM 600 N ASP A 39 -1.657 -23.467 3.575 1.00 0.00 N ATOM 601 CA ASP A 39 -0.874 -24.394 4.403 1.00 0.00 C ATOM 602 C ASP A 39 0.044 -25.251 3.545 1.00 0.00 C ATOM 603 O ASP A 39 0.968 -25.885 4.047 1.00 0.00 O ATOM 604 CB ASP A 39 -1.795 -25.295 5.225 1.00 0.00 C ATOM 605 CG ASP A 39 -2.728 -24.513 6.114 1.00 0.00 C ATOM 606 OD1 ASP A 39 -2.317 -24.124 7.226 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.884 -24.278 5.701 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.651 -23.688 3.523 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.264 -23.795 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.380 -25.921 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.191 -25.964 5.838 1.00 0.00 H new ATOM 612 N GLN A 40 -0.224 -25.272 2.255 1.00 0.00 N ATOM 613 CA GLN A 40 0.579 -26.026 1.307 1.00 0.00 C ATOM 614 C GLN A 40 1.225 -25.074 0.313 1.00 0.00 C ATOM 615 O GLN A 40 1.702 -25.477 -0.751 1.00 0.00 O ATOM 616 CB GLN A 40 -0.292 -27.048 0.580 1.00 0.00 C ATOM 617 CG GLN A 40 -0.831 -28.145 1.486 1.00 0.00 C ATOM 618 CD GLN A 40 0.257 -29.083 1.979 1.00 0.00 C ATOM 619 OE1 GLN A 40 0.535 -30.107 1.359 1.00 0.00 O ATOM 620 NE2 GLN A 40 0.888 -28.732 3.084 1.00 0.00 N ATOM 0 H GLN A 40 -1.003 -24.768 1.832 1.00 0.00 H new ATOM 0 HA GLN A 40 1.363 -26.560 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.130 -26.531 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.290 -27.504 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.330 -27.691 2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.584 -28.720 0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.627 -27.874 3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.636 -29.319 3.452 1.00 0.00 H new ATOM 629 N LEU A 41 1.259 -23.813 0.678 1.00 0.00 N ATOM 630 CA LEU A 41 1.804 -22.781 -0.171 1.00 0.00 C ATOM 631 C LEU A 41 3.212 -22.409 0.285 1.00 0.00 C ATOM 632 O LEU A 41 3.503 -22.414 1.479 1.00 0.00 O ATOM 633 CB LEU A 41 0.891 -21.554 -0.132 1.00 0.00 C ATOM 634 CG LEU A 41 1.180 -20.474 -1.159 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.982 -21.021 -2.559 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.286 -19.270 -0.927 1.00 0.00 C ATOM 0 H LEU A 41 0.909 -23.474 1.574 1.00 0.00 H new ATOM 0 HA LEU A 41 1.862 -23.152 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.138 -21.888 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.956 -21.109 0.861 1.00 0.00 H new ATOM 0 HG LEU A 41 2.217 -20.156 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.192 -20.239 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.659 -21.859 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.048 -21.359 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.506 -18.505 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.758 -19.570 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.468 -18.869 0.070 1.00 0.00 H new ATOM 648 N ARG A 42 4.079 -22.100 -0.660 1.00 0.00 N ATOM 649 CA ARG A 42 5.452 -21.737 -0.347 1.00 0.00 C ATOM 650 C ARG A 42 5.856 -20.459 -1.066 1.00 0.00 C ATOM 651 O ARG A 42 5.626 -20.316 -2.268 1.00 0.00 O ATOM 652 CB ARG A 42 6.397 -22.889 -0.724 1.00 0.00 C ATOM 653 CG ARG A 42 7.874 -22.571 -0.575 1.00 0.00 C ATOM 654 CD ARG A 42 8.527 -22.335 -1.926 1.00 0.00 C ATOM 655 NE ARG A 42 8.437 -23.507 -2.801 1.00 0.00 N ATOM 656 CZ ARG A 42 8.961 -23.575 -4.031 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.602 -22.533 -4.544 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.838 -24.685 -4.747 1.00 0.00 N ATOM 0 H ARG A 42 3.858 -22.093 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 42 5.525 -21.554 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.161 -23.753 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.203 -23.177 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.996 -21.686 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.376 -23.393 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.051 -21.484 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.575 -22.074 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 42 7.942 -24.326 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.697 -21.675 -4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.999 -22.590 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.343 -25.489 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.238 -24.734 -5.684 1.00 0.00 H new ATOM 672 N VAL A 43 6.449 -19.531 -0.327 1.00 0.00 N ATOM 673 CA VAL A 43 6.905 -18.278 -0.905 1.00 0.00 C ATOM 674 C VAL A 43 8.434 -18.262 -1.004 1.00 0.00 C ATOM 675 O VAL A 43 9.118 -18.810 -0.142 1.00 0.00 O ATOM 676 CB VAL A 43 6.418 -17.042 -0.087 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.908 -17.083 0.106 1.00 0.00 C ATOM 678 CG2 VAL A 43 7.127 -16.951 1.262 1.00 0.00 C ATOM 0 H VAL A 43 6.625 -19.624 0.673 1.00 0.00 H new ATOM 0 HA VAL A 43 6.472 -18.209 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 43 6.671 -16.149 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.591 -16.212 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.417 -17.076 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.635 -17.990 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.764 -16.079 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.923 -17.851 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.201 -16.858 1.103 1.00 0.00 H new ATOM 688 N ILE A 44 8.954 -17.659 -2.061 1.00 0.00 N ATOM 689 CA ILE A 44 10.395 -17.580 -2.273 1.00 0.00 C ATOM 690 C ILE A 44 10.811 -16.181 -2.697 1.00 0.00 C ATOM 691 O ILE A 44 10.198 -15.573 -3.578 1.00 0.00 O ATOM 692 CB ILE A 44 10.883 -18.604 -3.345 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.791 -20.033 -2.817 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.308 -18.301 -3.800 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.653 -20.302 -1.597 1.00 0.00 C ATOM 0 H ILE A 44 8.398 -17.214 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 44 10.862 -17.824 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 44 10.224 -18.508 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.752 -20.251 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.080 -20.721 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.615 -19.034 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.347 -17.302 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.981 -18.350 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.530 -21.339 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.699 -20.119 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.350 -19.641 -0.785 1.00 0.00 H new ATOM 707 N PHE A 45 11.838 -15.676 -2.053 1.00 0.00 N ATOM 708 CA PHE A 45 12.405 -14.395 -2.382 1.00 0.00 C ATOM 709 C PHE A 45 13.920 -14.496 -2.342 1.00 0.00 C ATOM 710 O PHE A 45 14.501 -14.781 -1.292 1.00 0.00 O ATOM 711 CB PHE A 45 11.912 -13.321 -1.412 1.00 0.00 C ATOM 712 CG PHE A 45 12.518 -11.964 -1.649 1.00 0.00 C ATOM 713 CD1 PHE A 45 12.201 -11.235 -2.784 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.404 -11.417 -0.732 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.757 -9.989 -3.001 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.960 -10.174 -0.943 1.00 0.00 C ATOM 717 CZ PHE A 45 13.638 -9.459 -2.077 1.00 0.00 C ATOM 0 H PHE A 45 12.305 -16.150 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 45 12.088 -14.108 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.828 -13.243 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 45 12.135 -13.635 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.512 -11.645 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.661 -11.972 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.504 -9.431 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.648 -9.760 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.074 -8.485 -2.243 1.00 0.00 H new ATOM 727 N ALA A 46 14.546 -14.316 -3.502 1.00 0.00 N ATOM 728 CA ALA A 46 16.006 -14.373 -3.639 1.00 0.00 C ATOM 729 C ALA A 46 16.536 -15.786 -3.373 1.00 0.00 C ATOM 730 O ALA A 46 17.731 -15.980 -3.141 1.00 0.00 O ATOM 731 CB ALA A 46 16.684 -13.353 -2.725 1.00 0.00 C ATOM 0 H ALA A 46 14.058 -14.126 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 46 16.251 -14.116 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.765 -13.417 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.348 -12.350 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.423 -13.564 -1.688 1.00 0.00 H new ATOM 737 N GLY A 47 15.645 -16.765 -3.426 1.00 0.00 N ATOM 738 CA GLY A 47 16.041 -18.143 -3.219 1.00 0.00 C ATOM 739 C GLY A 47 15.632 -18.691 -1.865 1.00 0.00 C ATOM 740 O GLY A 47 15.649 -19.902 -1.654 1.00 0.00 O ATOM 0 H GLY A 47 14.651 -16.629 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.600 -18.761 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.123 -18.222 -3.323 1.00 0.00 H new ATOM 744 N LYS A 48 15.259 -17.815 -0.949 1.00 0.00 N ATOM 745 CA LYS A 48 14.873 -18.249 0.386 1.00 0.00 C ATOM 746 C LYS A 48 13.440 -17.853 0.715 1.00 0.00 C ATOM 747 O LYS A 48 12.897 -16.911 0.134 1.00 0.00 O ATOM 748 CB LYS A 48 15.864 -17.709 1.451 1.00 0.00 C ATOM 749 CG LYS A 48 16.119 -16.191 1.408 1.00 0.00 C ATOM 750 CD LYS A 48 14.965 -15.387 1.998 1.00 0.00 C ATOM 751 CE LYS A 48 15.242 -13.889 1.950 1.00 0.00 C ATOM 752 NZ LYS A 48 16.389 -13.500 2.811 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.215 -16.807 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 48 14.918 -19.338 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.485 -17.969 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.817 -18.224 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.033 -15.964 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.282 -15.882 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.050 -15.606 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.798 -15.694 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.446 -13.592 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.352 -13.347 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.445 -12.463 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.255 -13.892 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.271 -13.873 2.404 1.00 0.00 H new ATOM 766 N GLU A 49 12.825 -18.591 1.620 1.00 0.00 N ATOM 767 CA GLU A 49 11.482 -18.282 2.072 1.00 0.00 C ATOM 768 C GLU A 49 11.528 -17.210 3.153 1.00 0.00 C ATOM 769 O GLU A 49 12.476 -17.147 3.942 1.00 0.00 O ATOM 770 CB GLU A 49 10.770 -19.542 2.584 1.00 0.00 C ATOM 771 CG GLU A 49 11.552 -20.321 3.631 1.00 0.00 C ATOM 772 CD GLU A 49 10.752 -21.458 4.222 1.00 0.00 C ATOM 773 OE1 GLU A 49 10.597 -22.505 3.554 1.00 0.00 O ATOM 774 OE2 GLU A 49 10.275 -21.315 5.364 1.00 0.00 O1- ATOM 0 H GLU A 49 13.238 -19.414 2.059 1.00 0.00 H new ATOM 0 HA GLU A 49 10.912 -17.900 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.807 -19.255 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.565 -20.198 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.462 -20.717 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.860 -19.644 4.428 1.00 0.00 H new ATOM 781 N LEU A 50 10.517 -16.367 3.187 1.00 0.00 N ATOM 782 CA LEU A 50 10.465 -15.276 4.147 1.00 0.00 C ATOM 783 C LEU A 50 9.834 -15.727 5.451 1.00 0.00 C ATOM 784 O LEU A 50 9.020 -16.659 5.470 1.00 0.00 O ATOM 785 CB LEU A 50 9.659 -14.107 3.579 1.00 0.00 C ATOM 786 CG LEU A 50 10.130 -13.556 2.238 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.245 -12.405 1.798 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.585 -13.121 2.313 1.00 0.00 C ATOM 0 H LEU A 50 9.715 -16.414 2.559 1.00 0.00 H new ATOM 0 HA LEU A 50 11.489 -14.956 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.622 -14.425 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.672 -13.296 4.307 1.00 0.00 H new ATOM 0 HG LEU A 50 10.055 -14.350 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.595 -12.023 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.217 -12.754 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.286 -11.610 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.899 -12.731 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.694 -12.344 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.207 -13.976 2.579 1.00 0.00 H new ATOM 800 N ARG A 51 10.224 -15.084 6.544 1.00 0.00 N ATOM 801 CA ARG A 51 9.626 -15.362 7.836 1.00 0.00 C ATOM 802 C ARG A 51 8.174 -14.897 7.835 1.00 0.00 C ATOM 803 O ARG A 51 7.886 -13.729 7.585 1.00 0.00 O ATOM 804 CB ARG A 51 10.415 -14.713 8.996 1.00 0.00 C ATOM 805 CG ARG A 51 10.722 -13.227 8.827 1.00 0.00 C ATOM 806 CD ARG A 51 12.089 -13.005 8.192 1.00 0.00 C ATOM 807 NE ARG A 51 13.167 -13.577 9.002 1.00 0.00 N ATOM 808 CZ ARG A 51 14.454 -13.587 8.653 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.836 -13.077 7.490 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.356 -14.119 9.467 1.00 0.00 N ATOM 0 H ARG A 51 10.951 -14.368 6.558 1.00 0.00 H new ATOM 0 HA ARG A 51 9.661 -16.439 8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.849 -14.847 9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.356 -15.250 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.953 -12.764 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.688 -12.735 9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.105 -13.453 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.260 -11.936 8.063 1.00 0.00 H new ATOM 0 HE ARG A 51 12.915 -13.998 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.144 -12.675 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.822 -13.087 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.065 -14.520 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.341 -14.127 9.201 1.00 0.00 H new ATOM 824 N ASN A 52 7.275 -15.822 8.105 1.00 0.00 N ATOM 825 CA ASN A 52 5.842 -15.561 8.031 1.00 0.00 C ATOM 826 C ASN A 52 5.368 -14.493 9.026 1.00 0.00 C ATOM 827 O ASN A 52 4.645 -13.567 8.652 1.00 0.00 O ATOM 828 CB ASN A 52 5.036 -16.870 8.199 1.00 0.00 C ATOM 829 CG ASN A 52 5.216 -17.537 9.561 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.266 -17.421 10.196 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.196 -18.246 10.008 1.00 0.00 N ATOM 0 H ASN A 52 7.511 -16.775 8.382 1.00 0.00 H new ATOM 0 HA ASN A 52 5.654 -15.155 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.978 -16.656 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.334 -17.571 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.261 -18.721 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.343 -18.318 9.453 1.00 0.00 H new ATOM 838 N ASP A 53 5.792 -14.591 10.269 1.00 0.00 N ATOM 839 CA ASP A 53 5.328 -13.665 11.294 1.00 0.00 C ATOM 840 C ASP A 53 6.178 -12.415 11.357 1.00 0.00 C ATOM 841 O ASP A 53 6.755 -12.093 12.396 1.00 0.00 O ATOM 842 CB ASP A 53 5.257 -14.335 12.669 1.00 0.00 C ATOM 843 CG ASP A 53 4.111 -15.313 12.781 1.00 0.00 C ATOM 844 OD1 ASP A 53 2.944 -14.885 12.649 1.00 0.00 O ATOM 845 OD2 ASP A 53 4.365 -16.516 13.015 1.00 0.00 O1- ATOM 0 H ASP A 53 6.452 -15.296 10.597 1.00 0.00 H new ATOM 0 HA ASP A 53 4.319 -13.366 11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.194 -14.856 12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.152 -13.569 13.437 1.00 0.00 H new ATOM 850 N TRP A 54 6.265 -11.718 10.245 1.00 0.00 N ATOM 851 CA TRP A 54 7.001 -10.473 10.184 1.00 0.00 C ATOM 852 C TRP A 54 6.390 -9.531 9.146 1.00 0.00 C ATOM 853 O TRP A 54 5.810 -9.978 8.158 1.00 0.00 O ATOM 854 CB TRP A 54 8.487 -10.723 9.897 1.00 0.00 C ATOM 855 CG TRP A 54 9.316 -9.473 9.919 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.180 -9.046 8.956 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.335 -8.473 10.952 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.743 -7.851 9.330 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.235 -7.478 10.548 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.676 -8.328 12.178 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.495 -6.351 11.324 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.935 -7.209 12.944 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.835 -6.234 12.514 1.00 0.00 C ATOM 0 H TRP A 54 5.832 -11.995 9.364 1.00 0.00 H new ATOM 0 HA TRP A 54 6.929 -9.991 11.159 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.879 -11.423 10.634 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.586 -11.199 8.921 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.391 -9.570 8.035 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.429 -7.325 8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.977 -9.078 12.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.194 -5.596 10.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.432 -7.087 13.892 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.014 -5.369 13.135 1.00 0.00 H new ATOM 874 N THR A 55 6.522 -8.230 9.395 1.00 0.00 N ATOM 875 CA THR A 55 5.969 -7.188 8.536 1.00 0.00 C ATOM 876 C THR A 55 6.560 -7.241 7.127 1.00 0.00 C ATOM 877 O THR A 55 7.749 -7.529 6.950 1.00 0.00 O ATOM 878 CB THR A 55 6.269 -5.791 9.122 1.00 0.00 C ATOM 879 OG1 THR A 55 7.681 -5.547 9.064 1.00 0.00 O ATOM 880 CG2 THR A 55 5.818 -5.701 10.570 1.00 0.00 C ATOM 0 H THR A 55 7.021 -7.867 10.207 1.00 0.00 H new ATOM 0 HA THR A 55 4.894 -7.363 8.484 1.00 0.00 H new ATOM 0 HB THR A 55 5.727 -5.049 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.155 -6.251 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.041 -4.708 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.745 -5.882 10.629 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.345 -6.449 11.162 1.00 0.00 H new ATOM 888 N VAL A 56 5.738 -6.945 6.131 1.00 0.00 N ATOM 889 CA VAL A 56 6.199 -6.896 4.755 1.00 0.00 C ATOM 890 C VAL A 56 6.904 -5.560 4.482 1.00 0.00 C ATOM 891 O VAL A 56 7.687 -5.439 3.549 1.00 0.00 O ATOM 892 CB VAL A 56 5.028 -7.094 3.749 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.055 -5.931 3.793 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.551 -7.303 2.339 1.00 0.00 C ATOM 0 H VAL A 56 4.747 -6.735 6.252 1.00 0.00 H new ATOM 0 HA VAL A 56 6.904 -7.715 4.612 1.00 0.00 H new ATOM 0 HB VAL A 56 4.487 -7.992 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.250 -6.103 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.637 -5.844 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.578 -5.009 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.712 -7.439 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.131 -6.432 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.186 -8.188 2.314 1.00 0.00 H new ATOM 904 N GLN A 57 6.629 -4.571 5.331 1.00 0.00 N ATOM 905 CA GLN A 57 7.234 -3.247 5.202 1.00 0.00 C ATOM 906 C GLN A 57 8.743 -3.324 5.390 1.00 0.00 C ATOM 907 O GLN A 57 9.501 -2.613 4.734 1.00 0.00 O ATOM 908 CB GLN A 57 6.627 -2.291 6.231 1.00 0.00 C ATOM 909 CG GLN A 57 7.231 -0.896 6.227 1.00 0.00 C ATOM 910 CD GLN A 57 6.602 0.011 7.267 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.137 -0.446 8.316 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.582 1.296 6.990 1.00 0.00 N ATOM 0 H GLN A 57 5.988 -4.663 6.119 1.00 0.00 H new ATOM 0 HA GLN A 57 7.030 -2.871 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.556 -2.210 6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.747 -2.723 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.303 -0.967 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.106 -0.452 5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.976 1.635 6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.172 1.954 7.653 1.00 0.00 H new ATOM 921 N ASN A 58 9.169 -4.203 6.281 1.00 0.00 N ATOM 922 CA ASN A 58 10.588 -4.385 6.575 1.00 0.00 C ATOM 923 C ASN A 58 11.209 -5.399 5.599 1.00 0.00 C ATOM 924 O ASN A 58 12.322 -5.876 5.787 1.00 0.00 O ATOM 925 CB ASN A 58 10.748 -4.834 8.041 1.00 0.00 C ATOM 926 CG ASN A 58 12.194 -4.937 8.504 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.794 -6.010 8.462 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.751 -3.834 8.958 1.00 0.00 N ATOM 0 H ASN A 58 8.550 -4.809 6.820 1.00 0.00 H new ATOM 0 HA ASN A 58 11.118 -3.442 6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.221 -4.130 8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.267 -5.804 8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.715 -3.849 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.219 -2.964 8.976 1.00 0.00 H new ATOM 935 N CYS A 59 10.485 -5.684 4.538 1.00 0.00 N ATOM 936 CA CYS A 59 10.915 -6.600 3.533 1.00 0.00 C ATOM 937 C CYS A 59 10.985 -5.865 2.212 1.00 0.00 C ATOM 938 O CYS A 59 9.972 -5.383 1.698 1.00 0.00 O ATOM 939 CB CYS A 59 9.955 -7.790 3.441 1.00 0.00 C ATOM 940 SG CYS A 59 9.773 -8.717 4.989 1.00 0.00 S ATOM 0 H CYS A 59 9.569 -5.273 4.357 1.00 0.00 H new ATOM 0 HA CYS A 59 11.900 -6.992 3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.975 -7.429 3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.307 -8.468 2.664 1.00 0.00 H new ATOM 0 HG CYS A 59 9.011 -8.052 5.806 1.00 0.00 H new ATOM 946 N ASP A 60 12.179 -5.757 1.694 1.00 0.00 N ATOM 947 CA ASP A 60 12.453 -5.037 0.436 1.00 0.00 C ATOM 948 C ASP A 60 11.887 -5.752 -0.795 1.00 0.00 C ATOM 949 O ASP A 60 12.584 -5.936 -1.788 1.00 0.00 O ATOM 950 CB ASP A 60 13.963 -4.821 0.253 1.00 0.00 C ATOM 951 CG ASP A 60 14.541 -3.822 1.228 1.00 0.00 C ATOM 952 OD1 ASP A 60 14.132 -2.648 1.195 1.00 0.00 O ATOM 953 OD2 ASP A 60 15.421 -4.202 2.030 1.00 0.00 O1- ATOM 0 H ASP A 60 13.011 -6.163 2.122 1.00 0.00 H new ATOM 0 HA ASP A 60 11.948 -4.075 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.477 -5.775 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.155 -4.480 -0.764 1.00 0.00 H new ATOM 958 N LEU A 61 10.619 -6.118 -0.740 1.00 0.00 N ATOM 959 CA LEU A 61 9.970 -6.787 -1.857 1.00 0.00 C ATOM 960 C LEU A 61 9.639 -5.784 -2.953 1.00 0.00 C ATOM 961 O LEU A 61 9.537 -6.135 -4.119 1.00 0.00 O ATOM 962 CB LEU A 61 8.695 -7.504 -1.394 1.00 0.00 C ATOM 963 CG LEU A 61 8.869 -8.515 -0.254 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.546 -9.184 0.075 1.00 0.00 C ATOM 965 CD2 LEU A 61 9.921 -9.551 -0.604 1.00 0.00 C ATOM 0 H LEU A 61 10.016 -5.963 0.068 1.00 0.00 H new ATOM 0 HA LEU A 61 10.658 -7.532 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.973 -6.751 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.262 -8.022 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 61 9.209 -7.974 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.691 -9.898 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.822 -8.428 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.174 -9.707 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.026 -10.256 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.619 -10.087 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.875 -9.055 -0.780 1.00 0.00 H new ATOM 977 N ASP A 62 9.471 -4.532 -2.563 1.00 0.00 N ATOM 978 CA ASP A 62 9.172 -3.466 -3.516 1.00 0.00 C ATOM 979 C ASP A 62 10.454 -2.880 -4.084 1.00 0.00 C ATOM 980 O ASP A 62 10.490 -2.411 -5.218 1.00 0.00 O ATOM 981 CB ASP A 62 8.352 -2.362 -2.840 1.00 0.00 C ATOM 982 CG ASP A 62 8.070 -1.186 -3.760 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.231 -1.324 -4.663 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.674 -0.109 -3.565 1.00 0.00 O1- ATOM 0 H ASP A 62 9.536 -4.224 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 62 8.590 -3.893 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.407 -2.780 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.887 -2.007 -1.959 1.00 0.00 H new ATOM 989 N GLN A 63 11.511 -2.926 -3.292 1.00 0.00 N ATOM 990 CA GLN A 63 12.792 -2.356 -3.696 1.00 0.00 C ATOM 991 C GLN A 63 13.579 -3.316 -4.580 1.00 0.00 C ATOM 992 O GLN A 63 14.361 -2.892 -5.426 1.00 0.00 O ATOM 993 CB GLN A 63 13.621 -1.978 -2.467 1.00 0.00 C ATOM 994 CG GLN A 63 13.004 -0.869 -1.624 1.00 0.00 C ATOM 995 CD GLN A 63 12.929 0.457 -2.361 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.763 0.755 -3.222 1.00 0.00 O ATOM 997 NE2 GLN A 63 11.931 1.257 -2.032 1.00 0.00 N ATOM 0 H GLN A 63 11.511 -3.351 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 63 12.583 -1.458 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.754 -2.863 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.613 -1.665 -2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.001 -1.167 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.590 -0.741 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.264 0.972 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.827 2.160 -2.495 1.00 0.00 H new ATOM 1006 N GLN A 64 13.365 -4.602 -4.384 1.00 0.00 N ATOM 1007 CA GLN A 64 14.070 -5.614 -5.151 1.00 0.00 C ATOM 1008 C GLN A 64 13.176 -6.196 -6.249 1.00 0.00 C ATOM 1009 O GLN A 64 12.229 -5.544 -6.704 1.00 0.00 O ATOM 1010 CB GLN A 64 14.581 -6.721 -4.220 1.00 0.00 C ATOM 1011 CG GLN A 64 15.591 -6.240 -3.179 1.00 0.00 C ATOM 1012 CD GLN A 64 16.910 -5.787 -3.790 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.961 -5.315 -4.925 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.984 -5.926 -3.043 1.00 0.00 N ATOM 0 H GLN A 64 12.707 -4.973 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 64 14.925 -5.144 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.731 -7.171 -3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.041 -7.505 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.157 -5.415 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.784 -7.045 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.906 -6.321 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.895 -5.638 -3.401 1.00 0.00 H new HETATM 1023 N SEP A 65 13.495 -7.414 -6.673 1.00 0.00 N HETATM 1024 CA SEP A 65 12.769 -8.096 -7.735 1.00 0.00 C HETATM 1025 CB SEP A 65 13.590 -9.287 -8.239 1.00 0.00 C HETATM 1026 OG SEP A 65 14.767 -8.843 -8.905 1.00 0.00 O HETATM 1027 C SEP A 65 11.371 -8.554 -7.298 1.00 0.00 C HETATM 1028 O SEP A 65 10.829 -8.100 -6.284 1.00 0.00 O HETATM 1029 P SEP A 65 14.903 -9.032 -10.473 1.00 0.00 P HETATM 1030 O1P SEP A 65 16.269 -8.922 -10.964 1.00 0.00 O HETATM 1031 O2P SEP A 65 14.183 -10.181 -11.001 1.00 0.00 O HETATM 1032 O3P SEP A 65 14.163 -7.779 -11.100 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.861 -9.929 -7.401 1.00 0.00 H new HETATM 0 HB2 SEP A 65 12.987 -9.889 -8.919 1.00 0.00 H new HETATM 0 HA SEP A 65 12.623 -7.379 -8.543 1.00 0.00 H new HETATM 0 H SEP A 65 14.410 -7.756 -6.379 1.00 0.00 H new ATOM 1037 N ILE A 66 10.802 -9.456 -8.070 1.00 0.00 N ATOM 1038 CA ILE A 66 9.463 -9.939 -7.842 1.00 0.00 C ATOM 1039 C ILE A 66 9.475 -11.163 -6.920 1.00 0.00 C ATOM 1040 O ILE A 66 10.424 -11.953 -6.926 1.00 0.00 O ATOM 1041 CB ILE A 66 8.790 -10.284 -9.198 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.312 -10.550 -9.025 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.462 -11.483 -9.848 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.554 -10.566 -10.326 1.00 0.00 C ATOM 0 H ILE A 66 11.262 -9.875 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 66 8.888 -9.155 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 66 8.909 -9.419 -9.851 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.179 -11.508 -8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.886 -9.787 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.972 -11.705 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.514 -11.258 -10.026 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.382 -12.347 -9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.500 -10.762 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.658 -9.600 -10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.955 -11.348 -10.971 1.00 0.00 H new ATOM 1056 N VAL A 67 8.430 -11.302 -6.122 1.00 0.00 N ATOM 1057 CA VAL A 67 8.324 -12.400 -5.175 1.00 0.00 C ATOM 1058 C VAL A 67 7.689 -13.613 -5.854 1.00 0.00 C ATOM 1059 O VAL A 67 6.717 -13.477 -6.591 1.00 0.00 O ATOM 1060 CB VAL A 67 7.471 -11.991 -3.949 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.691 -12.945 -2.784 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.772 -10.558 -3.538 1.00 0.00 C ATOM 0 H VAL A 67 7.636 -10.662 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 67 9.328 -12.653 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 67 6.421 -12.051 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.079 -12.633 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.409 -13.955 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.742 -12.932 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.162 -10.291 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.827 -10.468 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.543 -9.886 -4.366 1.00 0.00 H new ATOM 1072 N HIS A 68 8.244 -14.786 -5.617 1.00 0.00 N ATOM 1073 CA HIS A 68 7.734 -16.010 -6.232 1.00 0.00 C ATOM 1074 C HIS A 68 6.929 -16.828 -5.227 1.00 0.00 C ATOM 1075 O HIS A 68 7.299 -16.931 -4.059 1.00 0.00 O ATOM 1076 CB HIS A 68 8.889 -16.859 -6.790 1.00 0.00 C ATOM 1077 CG HIS A 68 9.572 -16.277 -8.003 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.000 -17.081 -9.031 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.899 -14.990 -8.285 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.577 -16.278 -9.906 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.543 -15.002 -9.501 1.00 0.00 N ATOM 0 H HIS A 68 9.048 -14.924 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 68 7.078 -15.723 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.631 -16.999 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.505 -17.847 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.693 -14.124 -7.673 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.021 -16.609 -10.833 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.921 -14.195 -9.998 1.00 0.00 H new ATOM 1089 N ILE A 69 5.824 -17.401 -5.684 1.00 0.00 N ATOM 1090 CA ILE A 69 4.971 -18.225 -4.837 1.00 0.00 C ATOM 1091 C ILE A 69 4.556 -19.503 -5.575 1.00 0.00 C ATOM 1092 O ILE A 69 4.082 -19.445 -6.711 1.00 0.00 O ATOM 1093 CB ILE A 69 3.700 -17.456 -4.383 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.070 -16.257 -3.502 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.752 -18.379 -3.648 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.874 -15.569 -2.868 1.00 0.00 C ATOM 0 H ILE A 69 5.495 -17.309 -6.645 1.00 0.00 H new ATOM 0 HA ILE A 69 5.550 -18.486 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 69 3.197 -17.081 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.744 -16.592 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.618 -15.532 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.868 -17.821 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.454 -19.194 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.250 -18.787 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.216 -14.731 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.209 -15.202 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.337 -16.279 -2.238 1.00 0.00 H new ATOM 1108 N VAL A 70 4.737 -20.651 -4.929 1.00 0.00 N ATOM 1109 CA VAL A 70 4.404 -21.939 -5.540 1.00 0.00 C ATOM 1110 C VAL A 70 3.497 -22.770 -4.617 1.00 0.00 C ATOM 1111 O VAL A 70 3.692 -22.797 -3.398 1.00 0.00 O ATOM 1112 CB VAL A 70 5.687 -22.756 -5.871 1.00 0.00 C ATOM 1113 CG1 VAL A 70 5.340 -24.073 -6.555 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.639 -21.942 -6.740 1.00 0.00 C ATOM 0 H VAL A 70 5.112 -20.718 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 70 3.872 -21.725 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 70 6.186 -22.983 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.256 -24.622 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.708 -24.669 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.807 -23.871 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.528 -22.533 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.142 -21.676 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.928 -21.034 -6.211 1.00 0.00 H new ATOM 1124 N GLN A 71 2.501 -23.428 -5.207 1.00 0.00 N ATOM 1125 CA GLN A 71 1.583 -24.289 -4.468 1.00 0.00 C ATOM 1126 C GLN A 71 2.048 -25.747 -4.552 1.00 0.00 C ATOM 1127 O GLN A 71 2.343 -26.252 -5.638 1.00 0.00 O ATOM 1128 CB GLN A 71 0.161 -24.152 -5.047 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.861 -25.128 -4.466 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.203 -24.855 -3.012 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -1.484 -25.772 -2.251 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.212 -23.594 -2.627 1.00 0.00 N ATOM 0 H GLN A 71 2.309 -23.379 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 71 1.572 -23.985 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.190 -23.134 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.207 -24.295 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.774 -25.082 -5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.473 -26.143 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.972 -22.857 -3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.459 -23.356 -1.666 1.00 0.00 H new ATOM 1141 N ARG A 72 2.120 -26.415 -3.411 1.00 0.00 N ATOM 1142 CA ARG A 72 2.536 -27.812 -3.365 1.00 0.00 C ATOM 1143 C ARG A 72 1.756 -28.566 -2.289 1.00 0.00 C ATOM 1144 O ARG A 72 2.188 -28.653 -1.139 1.00 0.00 O ATOM 1145 CB ARG A 72 4.048 -27.914 -3.114 1.00 0.00 C ATOM 1146 CG ARG A 72 4.587 -29.338 -3.042 1.00 0.00 C ATOM 1147 CD ARG A 72 4.317 -30.103 -4.324 1.00 0.00 C ATOM 1148 NE ARG A 72 4.871 -31.456 -4.282 1.00 0.00 N ATOM 1149 CZ ARG A 72 4.196 -32.556 -4.630 1.00 0.00 C ATOM 1150 NH1 ARG A 72 2.938 -32.466 -5.050 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 4.788 -33.743 -4.572 1.00 0.00 N ATOM 0 H ARG A 72 1.895 -26.013 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 72 2.318 -28.271 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.571 -27.382 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.283 -27.403 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.660 -29.312 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.127 -29.860 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.242 -30.157 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.747 -29.561 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 72 5.835 -31.567 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.484 -31.555 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.427 -33.308 -5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.757 -33.815 -4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.274 -34.583 -4.837 1.00 0.00 H new ATOM 1165 N PRO A 73 0.574 -29.083 -2.646 1.00 0.00 N ATOM 1166 CA PRO A 73 -0.285 -29.795 -1.732 1.00 0.00 C ATOM 1167 C PRO A 73 -0.179 -31.323 -1.847 1.00 0.00 C ATOM 1168 O PRO A 73 -0.332 -31.897 -2.935 1.00 0.00 O ATOM 1169 CB PRO A 73 -1.669 -29.330 -2.180 1.00 0.00 C ATOM 1170 CG PRO A 73 -1.527 -28.995 -3.651 1.00 0.00 C ATOM 1171 CD PRO A 73 -0.042 -28.982 -3.966 1.00 0.00 C ATOM 0 HA PRO A 73 -0.034 -29.591 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.414 -30.110 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.995 -28.460 -1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.044 -29.732 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.975 -28.026 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.242 -29.815 -4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.254 -28.068 -4.481 1.00 0.00 H new ATOM 1179 N TRP A 74 0.079 -31.973 -0.726 1.00 0.00 N ATOM 1180 CA TRP A 74 0.126 -33.425 -0.678 1.00 0.00 C ATOM 1181 C TRP A 74 -1.267 -33.978 -0.388 1.00 0.00 C ATOM 1182 O TRP A 74 -1.763 -33.864 0.730 1.00 0.00 O ATOM 1183 CB TRP A 74 1.111 -33.915 0.389 1.00 0.00 C ATOM 1184 CG TRP A 74 2.554 -33.691 0.043 1.00 0.00 C ATOM 1185 CD1 TRP A 74 3.282 -34.356 -0.903 1.00 0.00 C ATOM 1186 CD2 TRP A 74 3.451 -32.756 0.655 1.00 0.00 C ATOM 1187 NE1 TRP A 74 4.574 -33.890 -0.918 1.00 0.00 N ATOM 1188 CE2 TRP A 74 4.703 -32.906 0.026 1.00 0.00 C ATOM 1189 CE3 TRP A 74 3.316 -31.805 1.671 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 5.811 -32.141 0.381 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 4.417 -31.047 2.021 1.00 0.00 C ATOM 1192 CH2 TRP A 74 5.650 -31.218 1.378 1.00 0.00 C ATOM 0 H TRP A 74 0.260 -31.516 0.168 1.00 0.00 H new ATOM 0 HA TRP A 74 0.469 -33.785 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 74 0.892 -33.409 1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 74 0.950 -34.980 0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 74 2.898 -35.135 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 74 5.317 -34.223 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 74 2.370 -31.666 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 6.763 -32.271 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.325 -30.309 2.804 1.00 0.00 H new ATOM 0 HH2 TRP A 74 6.491 -30.609 1.675 1.00 0.00 H new ATOM 1203 N ARG A 75 -1.885 -34.572 -1.409 1.00 0.00 N ATOM 1204 CA ARG A 75 -3.246 -35.116 -1.313 1.00 0.00 C ATOM 1205 C ARG A 75 -4.239 -34.044 -0.875 1.00 0.00 C ATOM 1206 O ARG A 75 -4.658 -33.995 0.284 1.00 0.00 O ATOM 1207 CB ARG A 75 -3.328 -36.344 -0.377 1.00 0.00 C ATOM 1208 CG ARG A 75 -2.601 -37.584 -0.891 1.00 0.00 C ATOM 1209 CD ARG A 75 -1.115 -37.549 -0.570 1.00 0.00 C ATOM 1210 NE ARG A 75 -0.863 -37.690 0.868 1.00 0.00 N ATOM 1211 CZ ARG A 75 0.342 -37.584 1.437 1.00 0.00 C ATOM 1212 NH1 ARG A 75 1.409 -37.308 0.697 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 0.477 -37.764 2.747 1.00 0.00 N ATOM 0 H ARG A 75 -1.459 -34.691 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.515 -35.453 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.914 -36.073 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.377 -36.594 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.046 -38.475 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.737 -37.663 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.608 -38.350 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.689 -36.610 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.660 -37.882 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.311 -37.176 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.327 -37.228 1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.339 -37.983 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.397 -37.683 3.181 1.00 0.00 H new ATOM 1227 N LYS A 76 -4.594 -33.177 -1.798 1.00 0.00 N ATOM 1228 CA LYS A 76 -5.514 -32.097 -1.523 1.00 0.00 C ATOM 1229 C LYS A 76 -6.600 -32.043 -2.580 1.00 0.00 C ATOM 1230 O LYS A 76 -7.783 -31.955 -2.205 1.00 0.00 O ATOM 1231 CB LYS A 76 -4.772 -30.758 -1.456 1.00 0.00 C ATOM 1232 CG LYS A 76 -5.665 -29.545 -1.175 1.00 0.00 C ATOM 1233 CD LYS A 76 -5.896 -29.304 0.326 1.00 0.00 C ATOM 1234 CE LYS A 76 -6.706 -30.414 0.990 1.00 0.00 C ATOM 1235 NZ LYS A 76 -8.011 -30.644 0.312 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -6.262 -32.102 -3.781 1.00 0.00 O ATOM 0 H LYS A 76 -4.253 -33.201 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.979 -32.283 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.010 -30.819 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.252 -30.598 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.211 -28.657 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.627 -29.687 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.932 -29.216 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.413 -28.354 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.127 -31.338 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.882 -30.157 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.615 -31.239 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.481 -29.731 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.850 -31.122 -0.597 1.00 0.00 H new TER 1250 LYS A 76