USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 71 GLN : amide:sc= -0.349 K(o=-0.66,f=-7.3!) USER MOD Set 1.2: A 119 SER OG : rot 52:sc= -0.308 USER MOD Set 2.1: A 44 MET CE :methyl -126:sc= 0 (180deg=-0.0649) USER MOD Set 2.2: A 99 HIS : no HE2:sc= 0.91 K(o=0.91,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.398 (180deg=-0.44) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 92:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 82:sc= 1.21 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0342 (180deg=-0.245) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 85:sc= 1.08 USER MOD Single : A 43 THR OG1 : rot -35:sc= 0.0681 USER MOD Single : A 46 TYR OH : rot -110:sc= 0.295 USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.07) USER MOD Single : A 54 MET CE :methyl 163:sc= -1.09 (180deg=-1.61!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.959 K(o=0.96,f=-1.4) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.457 F(o=-1.5!,f=0.46) USER MOD Single : A 74 HIS : no HE2:sc= 0.0588 X(o=0.059,f=-0.27) USER MOD Single : A 83 THR OG1 : rot 82:sc= 0.663 USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0254 (180deg=-0.259) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00462 K(o=-0.0046,f=-2.1) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.1) USER MOD Single : A 96 ASN : amide:sc= 0.475 K(o=0.48,f=-9.4!) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.982) USER MOD Single : A 109 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.5!) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.053 (180deg=-0.325) USER MOD Single : A 111 ASN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.945 K(o=0.94,f=-0.47) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -135:sc= 0.646 (180deg=-0.144) USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -0.0908 (180deg=-0.339) USER MOD Single : A 122 LYS NZ :NH3+ -131:sc= 0.516 (180deg=0.00541) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.229 12.560 -13.833 1.00 0.00 N ATOM 2 CA MET A 1 17.404 13.207 -13.208 1.00 0.00 C ATOM 3 C MET A 1 17.294 13.203 -11.684 1.00 0.00 C ATOM 4 O MET A 1 18.263 13.499 -10.985 1.00 0.00 O ATOM 5 CB MET A 1 17.584 14.639 -13.743 1.00 0.00 C ATOM 6 CG MET A 1 16.297 15.454 -13.839 1.00 0.00 C ATOM 7 SD MET A 1 15.570 15.844 -12.236 1.00 0.00 S ATOM 8 CE MET A 1 14.116 16.761 -12.742 1.00 0.00 C ATOM 0 H1 MET A 1 16.299 12.638 -14.868 1.00 0.00 H new ATOM 0 H2 MET A 1 16.201 11.556 -13.562 1.00 0.00 H new ATOM 0 H3 MET A 1 15.360 13.031 -13.509 1.00 0.00 H new ATOM 0 HA MET A 1 18.288 12.628 -13.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.285 15.168 -13.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.039 14.588 -14.732 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.504 16.383 -14.371 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.570 14.901 -14.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.558 17.073 -11.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.420 17.641 -13.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.485 16.127 -13.365 1.00 0.00 H new ATOM 20 N GLU A 2 16.113 12.861 -11.176 1.00 0.00 N ATOM 21 CA GLU A 2 15.888 12.758 -9.743 1.00 0.00 C ATOM 22 C GLU A 2 14.580 12.036 -9.470 1.00 0.00 C ATOM 23 O GLU A 2 13.499 12.571 -9.731 1.00 0.00 O ATOM 24 CB GLU A 2 15.867 14.139 -9.093 1.00 0.00 C ATOM 25 CG GLU A 2 15.600 14.107 -7.600 1.00 0.00 C ATOM 26 CD GLU A 2 15.638 15.482 -6.976 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.745 15.969 -6.663 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.562 16.089 -6.794 1.00 0.00 O ATOM 0 H GLU A 2 15.293 12.649 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 2 16.710 12.188 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.824 14.629 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.102 14.747 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.625 13.656 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.341 13.471 -7.115 1.00 0.00 H new ATOM 35 N PHE A 3 14.691 10.817 -8.969 1.00 0.00 N ATOM 36 CA PHE A 3 13.523 10.025 -8.612 1.00 0.00 C ATOM 37 C PHE A 3 12.705 10.747 -7.553 1.00 0.00 C ATOM 38 O PHE A 3 13.197 11.046 -6.464 1.00 0.00 O ATOM 39 CB PHE A 3 13.940 8.640 -8.111 1.00 0.00 C ATOM 40 CG PHE A 3 12.785 7.780 -7.675 1.00 0.00 C ATOM 41 CD1 PHE A 3 12.473 7.645 -6.332 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.015 7.114 -8.610 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.410 6.862 -5.930 1.00 0.00 C ATOM 44 CE2 PHE A 3 10.950 6.326 -8.214 1.00 0.00 C ATOM 45 CZ PHE A 3 10.646 6.200 -6.872 1.00 0.00 C ATOM 0 H PHE A 3 15.582 10.351 -8.799 1.00 0.00 H new ATOM 0 HA PHE A 3 12.909 9.894 -9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.485 8.126 -8.903 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.629 8.758 -7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.068 8.158 -5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.248 7.210 -9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.175 6.767 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.356 5.809 -8.953 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.814 5.586 -6.560 1.00 0.00 H new ATOM 55 N THR A 4 11.463 11.036 -7.887 1.00 0.00 N ATOM 56 CA THR A 4 10.578 11.732 -6.977 1.00 0.00 C ATOM 57 C THR A 4 9.675 10.746 -6.259 1.00 0.00 C ATOM 58 O THR A 4 8.920 10.004 -6.886 1.00 0.00 O ATOM 59 CB THR A 4 9.715 12.764 -7.718 1.00 0.00 C ATOM 60 OG1 THR A 4 10.215 12.955 -9.049 1.00 0.00 O ATOM 61 CG2 THR A 4 9.720 14.087 -6.975 1.00 0.00 C ATOM 0 H THR A 4 11.043 10.798 -8.786 1.00 0.00 H new ATOM 0 HA THR A 4 11.200 12.255 -6.250 1.00 0.00 H new ATOM 0 HB THR A 4 8.692 12.391 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.659 13.613 -9.516 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.104 14.808 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.318 13.943 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.741 14.462 -6.906 1.00 0.00 H new ATOM 69 N VAL A 5 9.779 10.729 -4.944 1.00 0.00 N ATOM 70 CA VAL A 5 8.944 9.867 -4.124 1.00 0.00 C ATOM 71 C VAL A 5 7.574 10.511 -3.950 1.00 0.00 C ATOM 72 O VAL A 5 7.440 11.739 -3.976 1.00 0.00 O ATOM 73 CB VAL A 5 9.580 9.579 -2.732 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.091 9.453 -2.848 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.202 10.628 -1.694 1.00 0.00 C ATOM 0 H VAL A 5 10.436 11.304 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 5 8.847 8.909 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 5 9.175 8.629 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.516 9.252 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.337 8.634 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.505 10.383 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.670 10.382 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.546 11.608 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.119 10.646 -1.572 1.00 0.00 H new ATOM 85 N SER A 6 6.560 9.678 -3.810 1.00 0.00 N ATOM 86 CA SER A 6 5.197 10.154 -3.652 1.00 0.00 C ATOM 87 C SER A 6 4.973 10.622 -2.217 1.00 0.00 C ATOM 88 O SER A 6 4.784 9.809 -1.316 1.00 0.00 O ATOM 89 CB SER A 6 4.211 9.039 -4.008 1.00 0.00 C ATOM 90 OG SER A 6 4.523 8.466 -5.269 1.00 0.00 O ATOM 0 H SER A 6 6.655 8.662 -3.802 1.00 0.00 H new ATOM 0 HA SER A 6 5.031 10.996 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.236 8.268 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.197 9.438 -4.027 1.00 0.00 H new ATOM 0 HG SER A 6 3.880 7.755 -5.473 1.00 0.00 H new ATOM 96 N THR A 7 5.010 11.932 -2.007 1.00 0.00 N ATOM 97 CA THR A 7 4.872 12.491 -0.671 1.00 0.00 C ATOM 98 C THR A 7 3.417 12.505 -0.218 1.00 0.00 C ATOM 99 O THR A 7 2.521 12.147 -0.986 1.00 0.00 O ATOM 100 CB THR A 7 5.440 13.922 -0.593 1.00 0.00 C ATOM 101 OG1 THR A 7 4.755 14.784 -1.515 1.00 0.00 O ATOM 102 CG2 THR A 7 6.927 13.928 -0.900 1.00 0.00 C ATOM 0 H THR A 7 5.134 12.625 -2.745 1.00 0.00 H new ATOM 0 HA THR A 7 5.445 11.846 -0.005 1.00 0.00 H new ATOM 0 HB THR A 7 5.288 14.290 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.988 14.532 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.307 14.948 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.450 13.302 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.093 13.538 -1.904 1.00 0.00 H new ATOM 110 N THR A 8 3.182 12.920 1.021 1.00 0.00 N ATOM 111 CA THR A 8 1.835 13.009 1.563 1.00 0.00 C ATOM 112 C THR A 8 0.949 13.885 0.680 1.00 0.00 C ATOM 113 O THR A 8 -0.222 13.579 0.451 1.00 0.00 O ATOM 114 CB THR A 8 1.864 13.585 2.989 1.00 0.00 C ATOM 115 OG1 THR A 8 2.910 12.960 3.747 1.00 0.00 O ATOM 116 CG2 THR A 8 0.533 13.371 3.692 1.00 0.00 C ATOM 0 H THR A 8 3.914 13.202 1.672 1.00 0.00 H new ATOM 0 HA THR A 8 1.421 12.001 1.590 1.00 0.00 H new ATOM 0 HB THR A 8 2.050 14.657 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.924 13.332 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.582 13.788 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.259 13.868 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.320 12.304 3.751 1.00 0.00 H new ATOM 124 N GLU A 9 1.529 14.958 0.161 1.00 0.00 N ATOM 125 CA GLU A 9 0.802 15.897 -0.674 1.00 0.00 C ATOM 126 C GLU A 9 0.410 15.254 -2.004 1.00 0.00 C ATOM 127 O GLU A 9 -0.706 15.446 -2.488 1.00 0.00 O ATOM 128 CB GLU A 9 1.643 17.150 -0.889 1.00 0.00 C ATOM 129 CG GLU A 9 2.035 17.812 0.421 1.00 0.00 C ATOM 130 CD GLU A 9 2.818 19.091 0.232 1.00 0.00 C ATOM 131 OE1 GLU A 9 4.045 19.084 0.474 1.00 0.00 O ATOM 132 OE2 GLU A 9 2.209 20.110 -0.153 1.00 0.00 O ATOM 0 H GLU A 9 2.509 15.199 0.307 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.121 16.182 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.543 16.890 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.085 17.860 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.134 18.027 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.630 17.113 1.010 1.00 0.00 H new ATOM 139 N ASP A 10 1.321 14.468 -2.577 1.00 0.00 N ATOM 140 CA ASP A 10 1.014 13.708 -3.788 1.00 0.00 C ATOM 141 C ASP A 10 -0.068 12.686 -3.487 1.00 0.00 C ATOM 142 O ASP A 10 -0.985 12.473 -4.280 1.00 0.00 O ATOM 143 CB ASP A 10 2.239 12.965 -4.339 1.00 0.00 C ATOM 144 CG ASP A 10 3.391 13.874 -4.707 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.351 13.977 -3.910 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.356 14.468 -5.805 1.00 0.00 O ATOM 0 H ASP A 10 2.270 14.341 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 10 0.682 14.425 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.580 12.245 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.941 12.397 -5.220 1.00 0.00 H new ATOM 151 N LEU A 11 0.044 12.075 -2.317 1.00 0.00 N ATOM 152 CA LEU A 11 -0.856 11.011 -1.905 1.00 0.00 C ATOM 153 C LEU A 11 -2.291 11.519 -1.781 1.00 0.00 C ATOM 154 O LEU A 11 -3.242 10.806 -2.105 1.00 0.00 O ATOM 155 CB LEU A 11 -0.376 10.403 -0.587 1.00 0.00 C ATOM 156 CG LEU A 11 -1.207 9.235 -0.082 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.116 8.074 -1.056 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.745 8.817 1.306 1.00 0.00 C ATOM 0 H LEU A 11 0.761 12.303 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.849 10.236 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.655 10.070 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.370 11.182 0.175 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.250 9.545 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.714 7.241 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.491 8.386 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.077 7.760 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.350 7.980 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.302 8.517 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.856 9.655 1.994 1.00 0.00 H new ATOM 170 N GLN A 12 -2.438 12.764 -1.343 1.00 0.00 N ATOM 171 CA GLN A 12 -3.756 13.371 -1.203 1.00 0.00 C ATOM 172 C GLN A 12 -4.412 13.548 -2.565 1.00 0.00 C ATOM 173 O GLN A 12 -5.629 13.431 -2.699 1.00 0.00 O ATOM 174 CB GLN A 12 -3.663 14.721 -0.485 1.00 0.00 C ATOM 175 CG GLN A 12 -3.281 14.618 0.983 1.00 0.00 C ATOM 176 CD GLN A 12 -3.190 15.969 1.662 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.857 16.979 1.037 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.490 15.998 2.950 1.00 0.00 N ATOM 0 H GLN A 12 -1.662 13.372 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.371 12.702 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.929 15.343 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.624 15.230 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.016 14.004 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.322 14.108 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.761 15.140 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.450 16.879 3.463 1.00 0.00 H new ATOM 187 N ARG A 13 -3.594 13.805 -3.577 1.00 0.00 N ATOM 188 CA ARG A 13 -4.092 13.998 -4.927 1.00 0.00 C ATOM 189 C ARG A 13 -4.539 12.672 -5.537 1.00 0.00 C ATOM 190 O ARG A 13 -5.573 12.606 -6.203 1.00 0.00 O ATOM 191 CB ARG A 13 -3.022 14.647 -5.803 1.00 0.00 C ATOM 192 CG ARG A 13 -3.496 14.962 -7.216 1.00 0.00 C ATOM 193 CD ARG A 13 -4.441 16.155 -7.259 1.00 0.00 C ATOM 194 NE ARG A 13 -5.680 15.929 -6.512 1.00 0.00 N ATOM 195 CZ ARG A 13 -6.538 16.894 -6.183 1.00 0.00 C ATOM 196 NH1 ARG A 13 -6.351 18.133 -6.618 1.00 0.00 N ATOM 197 NH2 ARG A 13 -7.597 16.615 -5.437 1.00 0.00 N ATOM 0 H ARG A 13 -2.581 13.884 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.955 14.661 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.686 15.569 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.159 13.984 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.632 15.163 -7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.999 14.088 -7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.932 17.029 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.685 16.381 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.900 14.975 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.547 18.351 -7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.011 18.868 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.756 15.661 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.253 17.355 -5.186 1.00 0.00 H new ATOM 211 N TYR A 14 -3.760 11.618 -5.298 1.00 0.00 N ATOM 212 CA TYR A 14 -4.077 10.299 -5.832 1.00 0.00 C ATOM 213 C TYR A 14 -5.338 9.740 -5.191 1.00 0.00 C ATOM 214 O TYR A 14 -6.122 9.049 -5.845 1.00 0.00 O ATOM 215 CB TYR A 14 -2.920 9.322 -5.614 1.00 0.00 C ATOM 216 CG TYR A 14 -1.615 9.761 -6.250 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.412 9.648 -5.566 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.588 10.297 -7.533 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.778 10.052 -6.138 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.400 10.701 -8.112 1.00 0.00 C ATOM 221 CZ TYR A 14 0.779 10.577 -7.410 1.00 0.00 C ATOM 222 OH TYR A 14 1.963 10.982 -7.981 1.00 0.00 O ATOM 0 H TYR A 14 -2.907 11.654 -4.739 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.243 10.416 -6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.765 9.192 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.199 8.348 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.407 9.236 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.510 10.399 -8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.704 9.956 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.396 11.112 -9.111 1.00 0.00 H new ATOM 0 HH TYR A 14 1.790 11.328 -8.882 1.00 0.00 H new ATOM 232 N ARG A 15 -5.536 10.047 -3.914 1.00 0.00 N ATOM 233 CA ARG A 15 -6.710 9.581 -3.201 1.00 0.00 C ATOM 234 C ARG A 15 -7.981 10.104 -3.862 1.00 0.00 C ATOM 235 O ARG A 15 -8.952 9.369 -4.005 1.00 0.00 O ATOM 236 CB ARG A 15 -6.642 9.974 -1.717 1.00 0.00 C ATOM 237 CG ARG A 15 -7.883 10.680 -1.187 1.00 0.00 C ATOM 238 CD ARG A 15 -7.990 10.550 0.326 1.00 0.00 C ATOM 239 NE ARG A 15 -6.824 11.094 1.020 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.927 10.345 1.666 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.037 9.025 1.658 1.00 0.00 N ATOM 242 NH2 ARG A 15 -4.919 10.915 2.312 1.00 0.00 N ATOM 0 H ARG A 15 -4.898 10.615 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.734 8.492 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.472 9.075 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.779 10.623 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.850 11.734 -1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.772 10.257 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.886 11.067 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.108 9.499 0.589 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.688 12.105 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.807 8.580 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.352 8.453 2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.826 11.931 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.237 10.338 2.804 1.00 0.00 H new ATOM 256 N THR A 16 -7.957 11.364 -4.287 1.00 0.00 N ATOM 257 CA THR A 16 -9.105 11.972 -4.948 1.00 0.00 C ATOM 258 C THR A 16 -9.494 11.188 -6.199 1.00 0.00 C ATOM 259 O THR A 16 -10.669 10.874 -6.406 1.00 0.00 O ATOM 260 CB THR A 16 -8.806 13.423 -5.358 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.891 14.025 -4.430 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.086 14.234 -5.406 1.00 0.00 C ATOM 0 H THR A 16 -7.153 11.984 -4.185 1.00 0.00 H new ATOM 0 HA THR A 16 -9.927 11.957 -4.233 1.00 0.00 H new ATOM 0 HB THR A 16 -8.354 13.411 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.972 13.895 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.857 15.259 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.769 13.794 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.554 14.233 -4.422 1.00 0.00 H new ATOM 270 N GLU A 17 -8.492 10.864 -7.015 1.00 0.00 N ATOM 271 CA GLU A 17 -8.709 10.119 -8.252 1.00 0.00 C ATOM 272 C GLU A 17 -9.408 8.793 -7.977 1.00 0.00 C ATOM 273 O GLU A 17 -10.413 8.461 -8.607 1.00 0.00 O ATOM 274 CB GLU A 17 -7.379 9.869 -8.969 1.00 0.00 C ATOM 275 CG GLU A 17 -7.137 10.766 -10.169 1.00 0.00 C ATOM 276 CD GLU A 17 -5.804 10.493 -10.835 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.619 9.382 -11.377 1.00 0.00 O ATOM 278 OE2 GLU A 17 -4.936 11.392 -10.833 1.00 0.00 O ATOM 0 H GLU A 17 -7.517 11.108 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.351 10.721 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.565 10.007 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.345 8.829 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.938 10.622 -10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.176 11.809 -9.853 1.00 0.00 H new ATOM 285 N CYS A 18 -8.886 8.052 -7.014 1.00 0.00 N ATOM 286 CA CYS A 18 -9.422 6.742 -6.680 1.00 0.00 C ATOM 287 C CYS A 18 -10.776 6.849 -5.996 1.00 0.00 C ATOM 288 O CYS A 18 -11.642 5.996 -6.183 1.00 0.00 O ATOM 289 CB CYS A 18 -8.437 5.985 -5.801 1.00 0.00 C ATOM 290 SG CYS A 18 -6.867 5.637 -6.643 1.00 0.00 S ATOM 0 H CYS A 18 -8.087 8.337 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.568 6.190 -7.609 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.240 6.566 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.889 5.046 -5.482 1.00 0.00 H new ATOM 295 N VAL A 19 -10.966 7.911 -5.230 1.00 0.00 N ATOM 296 CA VAL A 19 -12.211 8.117 -4.520 1.00 0.00 C ATOM 297 C VAL A 19 -13.355 8.343 -5.494 1.00 0.00 C ATOM 298 O VAL A 19 -14.388 7.672 -5.426 1.00 0.00 O ATOM 299 CB VAL A 19 -12.115 9.293 -3.522 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.493 9.852 -3.206 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.426 8.835 -2.246 1.00 0.00 C ATOM 0 H VAL A 19 -10.271 8.643 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.410 7.211 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.526 10.087 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.398 10.678 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.960 10.210 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.111 9.069 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.362 9.669 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.999 8.026 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.422 8.481 -2.481 1.00 0.00 H new ATOM 311 N SER A 20 -13.153 9.268 -6.411 1.00 0.00 N ATOM 312 CA SER A 20 -14.166 9.602 -7.392 1.00 0.00 C ATOM 313 C SER A 20 -14.421 8.437 -8.354 1.00 0.00 C ATOM 314 O SER A 20 -15.562 8.182 -8.734 1.00 0.00 O ATOM 315 CB SER A 20 -13.737 10.852 -8.157 1.00 0.00 C ATOM 316 OG SER A 20 -14.721 11.250 -9.098 1.00 0.00 O ATOM 0 H SER A 20 -12.290 9.805 -6.497 1.00 0.00 H new ATOM 0 HA SER A 20 -15.103 9.800 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.555 11.665 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.796 10.659 -8.673 1.00 0.00 H new ATOM 0 HG SER A 20 -14.417 12.053 -9.570 1.00 0.00 H new ATOM 322 N SER A 21 -13.367 7.715 -8.723 1.00 0.00 N ATOM 323 CA SER A 21 -13.485 6.644 -9.707 1.00 0.00 C ATOM 324 C SER A 21 -14.148 5.403 -9.111 1.00 0.00 C ATOM 325 O SER A 21 -15.059 4.830 -9.706 1.00 0.00 O ATOM 326 CB SER A 21 -12.103 6.290 -10.254 1.00 0.00 C ATOM 327 OG SER A 21 -11.488 7.417 -10.860 1.00 0.00 O ATOM 0 H SER A 21 -12.425 7.851 -8.357 1.00 0.00 H new ATOM 0 HA SER A 21 -14.119 7.000 -10.519 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.473 5.919 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.193 5.485 -10.983 1.00 0.00 H new ATOM 0 HG SER A 21 -11.082 7.980 -10.168 1.00 0.00 H new ATOM 333 N LEU A 22 -13.704 4.995 -7.926 1.00 0.00 N ATOM 334 CA LEU A 22 -14.211 3.778 -7.305 1.00 0.00 C ATOM 335 C LEU A 22 -15.462 4.044 -6.470 1.00 0.00 C ATOM 336 O LEU A 22 -15.884 3.191 -5.686 1.00 0.00 O ATOM 337 CB LEU A 22 -13.123 3.145 -6.440 1.00 0.00 C ATOM 338 CG LEU A 22 -11.947 2.573 -7.223 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.820 2.200 -6.282 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.389 1.357 -8.015 1.00 0.00 C ATOM 0 H LEU A 22 -12.997 5.487 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.491 3.088 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.749 3.895 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.568 2.349 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.586 3.333 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.987 1.793 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.489 3.087 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.172 1.452 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.541 0.957 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.768 0.596 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.177 1.643 -8.712 1.00 0.00 H new ATOM 352 N ASN A 23 -16.048 5.230 -6.653 1.00 0.00 N ATOM 353 CA ASN A 23 -17.269 5.632 -5.943 1.00 0.00 C ATOM 354 C ASN A 23 -17.112 5.484 -4.430 1.00 0.00 C ATOM 355 O ASN A 23 -18.053 5.099 -3.736 1.00 0.00 O ATOM 356 CB ASN A 23 -18.471 4.813 -6.421 1.00 0.00 C ATOM 357 CG ASN A 23 -18.750 4.987 -7.901 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.473 6.034 -8.483 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.309 3.962 -8.522 1.00 0.00 N ATOM 0 H ASN A 23 -15.692 5.938 -7.295 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.442 6.684 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.293 3.758 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.354 5.106 -5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.525 4.024 -9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.525 3.109 -8.006 1.00 0.00 H new ATOM 366 N ILE A 24 -15.919 5.788 -3.931 1.00 0.00 N ATOM 367 CA ILE A 24 -15.628 5.693 -2.510 1.00 0.00 C ATOM 368 C ILE A 24 -16.419 6.736 -1.724 1.00 0.00 C ATOM 369 O ILE A 24 -16.282 7.937 -1.961 1.00 0.00 O ATOM 370 CB ILE A 24 -14.123 5.900 -2.233 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.268 5.007 -3.146 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.815 5.619 -0.769 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.476 3.521 -2.936 1.00 0.00 C ATOM 0 H ILE A 24 -15.133 6.105 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.919 4.693 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.874 6.939 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.491 5.250 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.216 5.242 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.751 5.768 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.390 6.298 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.083 4.589 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.835 2.964 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.224 3.260 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.519 3.269 -3.129 1.00 0.00 H new ATOM 385 N PRO A 25 -17.268 6.282 -0.792 1.00 0.00 N ATOM 386 CA PRO A 25 -18.053 7.166 0.073 1.00 0.00 C ATOM 387 C PRO A 25 -17.169 8.080 0.914 1.00 0.00 C ATOM 388 O PRO A 25 -16.100 7.679 1.387 1.00 0.00 O ATOM 389 CB PRO A 25 -18.825 6.205 0.977 1.00 0.00 C ATOM 390 CG PRO A 25 -18.800 4.893 0.282 1.00 0.00 C ATOM 391 CD PRO A 25 -17.527 4.863 -0.512 1.00 0.00 C ATOM 0 HA PRO A 25 -18.694 7.830 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.362 6.136 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.848 6.548 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.831 4.072 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.667 4.781 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.712 4.409 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.639 4.286 -1.430 1.00 0.00 H new ATOM 399 N ALA A 26 -17.642 9.312 1.092 1.00 0.00 N ATOM 400 CA ALA A 26 -16.928 10.338 1.850 1.00 0.00 C ATOM 401 C ALA A 26 -16.573 9.858 3.251 1.00 0.00 C ATOM 402 O ALA A 26 -15.544 10.245 3.798 1.00 0.00 O ATOM 403 CB ALA A 26 -17.775 11.594 1.932 1.00 0.00 C ATOM 0 H ALA A 26 -18.535 9.628 0.713 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.996 10.555 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.240 12.357 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.977 11.963 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.717 11.366 2.431 1.00 0.00 H new ATOM 409 N ASP A 27 -17.444 9.033 3.824 1.00 0.00 N ATOM 410 CA ASP A 27 -17.195 8.406 5.124 1.00 0.00 C ATOM 411 C ASP A 27 -15.812 7.758 5.180 1.00 0.00 C ATOM 412 O ASP A 27 -15.031 8.014 6.099 1.00 0.00 O ATOM 413 CB ASP A 27 -18.268 7.358 5.413 1.00 0.00 C ATOM 414 CG ASP A 27 -17.899 6.438 6.561 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.685 5.234 6.308 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.822 6.911 7.715 1.00 0.00 O ATOM 0 H ASP A 27 -18.339 8.779 3.405 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.232 9.188 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.207 7.861 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.438 6.762 4.516 1.00 0.00 H new ATOM 421 N TYR A 28 -15.513 6.924 4.190 1.00 0.00 N ATOM 422 CA TYR A 28 -14.224 6.256 4.113 1.00 0.00 C ATOM 423 C TYR A 28 -13.083 7.259 3.996 1.00 0.00 C ATOM 424 O TYR A 28 -12.014 7.063 4.567 1.00 0.00 O ATOM 425 CB TYR A 28 -14.206 5.290 2.930 1.00 0.00 C ATOM 426 CG TYR A 28 -14.926 3.992 3.215 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.305 3.901 3.091 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.226 2.859 3.613 1.00 0.00 C ATOM 429 CE1 TYR A 28 -16.968 2.720 3.357 1.00 0.00 C ATOM 430 CE2 TYR A 28 -14.883 1.675 3.879 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.252 1.610 3.751 1.00 0.00 C ATOM 432 OH TYR A 28 -16.908 0.433 4.023 1.00 0.00 O ATOM 0 H TYR A 28 -16.151 6.695 3.428 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.078 5.695 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.666 5.772 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.172 5.074 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.869 4.769 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.152 2.906 3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.042 2.666 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.325 0.803 4.186 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.257 -0.251 4.286 1.00 0.00 H new ATOM 442 N VAL A 29 -13.329 8.341 3.269 1.00 0.00 N ATOM 443 CA VAL A 29 -12.331 9.382 3.062 1.00 0.00 C ATOM 444 C VAL A 29 -11.921 10.025 4.388 1.00 0.00 C ATOM 445 O VAL A 29 -10.738 10.298 4.619 1.00 0.00 O ATOM 446 CB VAL A 29 -12.853 10.458 2.099 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.786 11.505 1.837 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.306 9.818 0.801 1.00 0.00 C ATOM 0 H VAL A 29 -14.221 8.521 2.808 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.453 8.911 2.619 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.707 10.955 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.176 12.258 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.504 11.980 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.911 11.030 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.675 10.589 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.466 9.300 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.104 9.104 1.006 1.00 0.00 H new ATOM 458 N GLU A 30 -12.903 10.259 5.260 1.00 0.00 N ATOM 459 CA GLU A 30 -12.636 10.806 6.591 1.00 0.00 C ATOM 460 C GLU A 30 -11.780 9.838 7.400 1.00 0.00 C ATOM 461 O GLU A 30 -10.932 10.249 8.194 1.00 0.00 O ATOM 462 CB GLU A 30 -13.937 11.071 7.346 1.00 0.00 C ATOM 463 CG GLU A 30 -15.037 11.643 6.478 1.00 0.00 C ATOM 464 CD GLU A 30 -16.285 11.981 7.266 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.533 13.181 7.509 1.00 0.00 O ATOM 466 OE2 GLU A 30 -17.020 11.053 7.660 1.00 0.00 O ATOM 0 H GLU A 30 -13.889 10.079 5.069 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.103 11.748 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.285 10.139 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.737 11.761 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.672 12.541 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.288 10.926 5.697 1.00 0.00 H new ATOM 473 N LYS A 31 -12.015 8.550 7.187 1.00 0.00 N ATOM 474 CA LYS A 31 -11.281 7.502 7.887 1.00 0.00 C ATOM 475 C LYS A 31 -9.822 7.461 7.443 1.00 0.00 C ATOM 476 O LYS A 31 -8.913 7.434 8.274 1.00 0.00 O ATOM 477 CB LYS A 31 -11.929 6.137 7.657 1.00 0.00 C ATOM 478 CG LYS A 31 -13.368 6.065 8.138 1.00 0.00 C ATOM 479 CD LYS A 31 -13.917 4.648 8.055 1.00 0.00 C ATOM 480 CE LYS A 31 -15.396 4.603 8.422 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.933 3.216 8.424 1.00 0.00 N ATOM 0 H LYS A 31 -12.714 8.203 6.530 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.315 7.735 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.897 5.902 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.343 5.374 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.426 6.418 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.987 6.731 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.779 4.261 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.354 3.998 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.538 5.047 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.963 5.209 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.941 3.234 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.823 2.800 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.411 2.643 9.117 1.00 0.00 H new ATOM 495 N PHE A 32 -9.605 7.464 6.131 1.00 0.00 N ATOM 496 CA PHE A 32 -8.259 7.413 5.563 1.00 0.00 C ATOM 497 C PHE A 32 -7.423 8.602 6.028 1.00 0.00 C ATOM 498 O PHE A 32 -6.210 8.495 6.197 1.00 0.00 O ATOM 499 CB PHE A 32 -8.320 7.385 4.034 1.00 0.00 C ATOM 500 CG PHE A 32 -9.157 6.263 3.477 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.912 6.447 2.329 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.188 5.025 4.100 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.682 5.419 1.816 1.00 0.00 C ATOM 504 CE2 PHE A 32 -9.955 3.996 3.592 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.703 4.192 2.449 1.00 0.00 C ATOM 0 H PHE A 32 -10.350 7.502 5.435 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.784 6.497 5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.720 8.335 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.307 7.299 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.899 7.404 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.605 4.864 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.266 5.576 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.970 3.037 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.303 3.388 2.050 1.00 0.00 H new ATOM 515 N LYS A 33 -8.091 9.726 6.259 1.00 0.00 N ATOM 516 CA LYS A 33 -7.439 10.933 6.749 1.00 0.00 C ATOM 517 C LYS A 33 -6.773 10.683 8.104 1.00 0.00 C ATOM 518 O LYS A 33 -5.829 11.379 8.480 1.00 0.00 O ATOM 519 CB LYS A 33 -8.462 12.059 6.881 1.00 0.00 C ATOM 520 CG LYS A 33 -7.826 13.434 6.977 1.00 0.00 C ATOM 521 CD LYS A 33 -8.876 14.527 7.086 1.00 0.00 C ATOM 522 CE LYS A 33 -8.242 15.905 7.189 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.416 16.228 5.996 1.00 0.00 N ATOM 0 H LYS A 33 -9.095 9.826 6.113 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.670 11.220 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.133 12.035 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.072 11.885 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.168 13.472 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.205 13.611 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.531 14.491 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.500 14.347 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.024 16.656 7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.621 15.953 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.170 17.238 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.545 15.660 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.954 16.012 5.133 1.00 0.00 H new ATOM 537 N LYS A 34 -7.265 9.689 8.835 1.00 0.00 N ATOM 538 CA LYS A 34 -6.723 9.366 10.148 1.00 0.00 C ATOM 539 C LYS A 34 -6.131 7.960 10.171 1.00 0.00 C ATOM 540 O LYS A 34 -6.080 7.315 11.221 1.00 0.00 O ATOM 541 CB LYS A 34 -7.805 9.506 11.223 1.00 0.00 C ATOM 542 CG LYS A 34 -8.111 10.949 11.588 1.00 0.00 C ATOM 543 CD LYS A 34 -9.219 11.037 12.623 1.00 0.00 C ATOM 544 CE LYS A 34 -9.577 12.481 12.930 1.00 0.00 C ATOM 545 NZ LYS A 34 -10.715 12.583 13.878 1.00 0.00 N ATOM 0 H LYS A 34 -8.038 9.093 8.540 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.921 10.073 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.719 9.026 10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.488 8.972 12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.211 11.426 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.403 11.498 10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.102 10.511 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.904 10.536 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.709 12.988 13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.830 12.997 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.926 13.585 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.552 12.122 13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.465 12.114 14.772 1.00 0.00 H new ATOM 559 N TRP A 35 -5.683 7.501 9.003 1.00 0.00 N ATOM 560 CA TRP A 35 -5.072 6.178 8.850 1.00 0.00 C ATOM 561 C TRP A 35 -5.980 5.060 9.370 1.00 0.00 C ATOM 562 O TRP A 35 -5.532 4.165 10.089 1.00 0.00 O ATOM 563 CB TRP A 35 -3.719 6.125 9.565 1.00 0.00 C ATOM 564 CG TRP A 35 -2.686 7.030 8.965 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.452 8.330 9.300 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.749 6.707 7.930 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.430 8.838 8.539 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.983 7.862 7.690 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.480 5.556 7.179 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.030 7.903 6.740 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.474 5.598 6.233 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.272 6.762 6.020 1.00 0.00 C ATOM 0 H TRP A 35 -5.733 8.035 8.135 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.924 6.016 7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.860 6.393 10.612 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.347 5.100 9.546 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.993 8.881 10.055 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.063 9.788 8.596 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.049 4.652 7.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.606 8.802 6.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.260 4.716 5.647 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.053 6.762 5.274 1.00 0.00 H new ATOM 583 N GLU A 36 -7.252 5.114 9.008 1.00 0.00 N ATOM 584 CA GLU A 36 -8.196 4.082 9.394 1.00 0.00 C ATOM 585 C GLU A 36 -8.721 3.375 8.154 1.00 0.00 C ATOM 586 O GLU A 36 -9.470 3.949 7.364 1.00 0.00 O ATOM 587 CB GLU A 36 -9.343 4.687 10.203 1.00 0.00 C ATOM 588 CG GLU A 36 -10.325 3.662 10.737 1.00 0.00 C ATOM 589 CD GLU A 36 -11.428 4.288 11.566 1.00 0.00 C ATOM 590 OE1 GLU A 36 -12.545 4.475 11.046 1.00 0.00 O ATOM 591 OE2 GLU A 36 -11.189 4.596 12.754 1.00 0.00 O ATOM 0 H GLU A 36 -7.653 5.864 8.446 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.689 3.350 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.928 5.249 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.880 5.399 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.767 3.119 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.789 2.933 11.344 1.00 0.00 H new ATOM 598 N PHE A 37 -8.306 2.131 7.987 1.00 0.00 N ATOM 599 CA PHE A 37 -8.663 1.351 6.806 1.00 0.00 C ATOM 600 C PHE A 37 -9.553 0.173 7.184 1.00 0.00 C ATOM 601 O PHE A 37 -9.059 -0.867 7.627 1.00 0.00 O ATOM 602 CB PHE A 37 -7.398 0.835 6.104 1.00 0.00 C ATOM 603 CG PHE A 37 -6.417 1.919 5.752 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.526 2.396 6.701 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.382 2.459 4.475 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.625 3.392 6.387 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.482 3.457 4.156 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.603 3.924 5.113 1.00 0.00 C ATOM 0 H PHE A 37 -7.718 1.634 8.656 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.212 2.002 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.906 0.108 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.687 0.309 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.538 1.983 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.066 2.095 3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.938 3.755 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.466 3.872 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.899 4.705 4.865 1.00 0.00 H new ATOM 618 N PRO A 38 -10.880 0.321 7.041 1.00 0.00 N ATOM 619 CA PRO A 38 -11.820 -0.777 7.275 1.00 0.00 C ATOM 620 C PRO A 38 -11.555 -1.966 6.367 1.00 0.00 C ATOM 621 O PRO A 38 -11.195 -1.805 5.198 1.00 0.00 O ATOM 622 CB PRO A 38 -13.181 -0.164 6.957 1.00 0.00 C ATOM 623 CG PRO A 38 -12.983 1.297 7.135 1.00 0.00 C ATOM 624 CD PRO A 38 -11.577 1.563 6.667 1.00 0.00 C ATOM 0 HA PRO A 38 -11.741 -1.165 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.495 -0.401 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.953 -0.544 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.707 1.867 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.113 1.588 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.534 1.746 5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.144 2.435 7.156 1.00 0.00 H new ATOM 632 N GLU A 39 -11.737 -3.153 6.910 1.00 0.00 N ATOM 633 CA GLU A 39 -11.541 -4.372 6.154 1.00 0.00 C ATOM 634 C GLU A 39 -12.780 -4.652 5.312 1.00 0.00 C ATOM 635 O GLU A 39 -13.664 -5.417 5.699 1.00 0.00 O ATOM 636 CB GLU A 39 -11.220 -5.534 7.097 1.00 0.00 C ATOM 637 CG GLU A 39 -10.881 -6.832 6.382 1.00 0.00 C ATOM 638 CD GLU A 39 -10.276 -7.868 7.305 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.032 -7.966 7.357 1.00 0.00 O ATOM 640 OE2 GLU A 39 -11.038 -8.594 7.980 1.00 0.00 O ATOM 0 H GLU A 39 -12.022 -3.299 7.878 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.692 -4.256 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.381 -5.252 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.074 -5.704 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.785 -7.239 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.184 -6.623 5.570 1.00 0.00 H new ATOM 647 N ASP A 40 -12.831 -4.005 4.159 1.00 0.00 N ATOM 648 CA ASP A 40 -13.985 -4.081 3.270 1.00 0.00 C ATOM 649 C ASP A 40 -13.541 -3.918 1.824 1.00 0.00 C ATOM 650 O ASP A 40 -12.543 -3.242 1.569 1.00 0.00 O ATOM 651 CB ASP A 40 -15.027 -3.002 3.624 1.00 0.00 C ATOM 652 CG ASP A 40 -16.203 -2.977 2.665 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.123 -2.284 1.628 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.216 -3.649 2.941 1.00 0.00 O ATOM 0 H ASP A 40 -12.077 -3.413 3.811 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.448 -5.059 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.394 -3.177 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.544 -2.025 3.624 1.00 0.00 H new ATOM 659 N ASP A 41 -14.262 -4.539 0.895 1.00 0.00 N ATOM 660 CA ASP A 41 -13.900 -4.510 -0.530 1.00 0.00 C ATOM 661 C ASP A 41 -13.608 -3.088 -1.003 1.00 0.00 C ATOM 662 O ASP A 41 -12.630 -2.849 -1.718 1.00 0.00 O ATOM 663 CB ASP A 41 -15.021 -5.107 -1.385 1.00 0.00 C ATOM 664 CG ASP A 41 -15.361 -6.525 -0.983 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.125 -6.702 -0.011 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.867 -7.469 -1.631 1.00 0.00 O ATOM 0 H ASP A 41 -15.107 -5.073 1.099 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.997 -5.109 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.911 -4.484 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.722 -5.091 -2.433 1.00 0.00 H new ATOM 671 N THR A 42 -14.448 -2.153 -0.570 1.00 0.00 N ATOM 672 CA THR A 42 -14.321 -0.750 -0.933 1.00 0.00 C ATOM 673 C THR A 42 -12.908 -0.228 -0.661 1.00 0.00 C ATOM 674 O THR A 42 -12.223 0.248 -1.570 1.00 0.00 O ATOM 675 CB THR A 42 -15.336 0.086 -0.138 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.654 -0.459 -0.303 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.319 1.533 -0.584 1.00 0.00 C ATOM 0 H THR A 42 -15.238 -2.350 0.045 1.00 0.00 H new ATOM 0 HA THR A 42 -14.519 -0.660 -2.001 1.00 0.00 H new ATOM 0 HB THR A 42 -15.056 0.050 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.795 -1.177 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.047 2.101 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.325 1.951 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.573 1.591 -1.642 1.00 0.00 H new ATOM 685 N THR A 43 -12.479 -0.339 0.591 1.00 0.00 N ATOM 686 CA THR A 43 -11.149 0.089 1.002 1.00 0.00 C ATOM 687 C THR A 43 -10.061 -0.666 0.238 1.00 0.00 C ATOM 688 O THR A 43 -9.013 -0.110 -0.092 1.00 0.00 O ATOM 689 CB THR A 43 -10.947 -0.150 2.509 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.033 0.427 3.245 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.633 0.450 2.988 1.00 0.00 C ATOM 0 H THR A 43 -13.042 -0.727 1.347 1.00 0.00 H new ATOM 0 HA THR A 43 -11.070 1.153 0.779 1.00 0.00 H new ATOM 0 HB THR A 43 -10.918 -1.226 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.328 1.250 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.517 0.266 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.805 -0.010 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.635 1.524 2.803 1.00 0.00 H new ATOM 699 N MET A 44 -10.329 -1.928 -0.059 1.00 0.00 N ATOM 700 CA MET A 44 -9.339 -2.792 -0.683 1.00 0.00 C ATOM 701 C MET A 44 -9.066 -2.367 -2.121 1.00 0.00 C ATOM 702 O MET A 44 -7.912 -2.223 -2.529 1.00 0.00 O ATOM 703 CB MET A 44 -9.803 -4.246 -0.641 1.00 0.00 C ATOM 704 CG MET A 44 -10.050 -4.759 0.766 1.00 0.00 C ATOM 705 SD MET A 44 -10.601 -6.471 0.803 1.00 0.00 S ATOM 706 CE MET A 44 -10.821 -6.690 2.565 1.00 0.00 C ATOM 0 H MET A 44 -11.226 -2.378 0.123 1.00 0.00 H new ATOM 0 HA MET A 44 -8.410 -2.700 -0.121 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.720 -4.344 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.053 -4.873 -1.122 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.133 -4.666 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.799 -4.132 1.249 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.251 -7.558 2.898 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.468 -5.802 3.089 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.878 -6.844 2.783 1.00 0.00 H new ATOM 716 N CYS A 45 -10.128 -2.159 -2.887 1.00 0.00 N ATOM 717 CA CYS A 45 -9.990 -1.714 -4.267 1.00 0.00 C ATOM 718 C CYS A 45 -9.416 -0.301 -4.309 1.00 0.00 C ATOM 719 O CYS A 45 -8.717 0.071 -5.253 1.00 0.00 O ATOM 720 CB CYS A 45 -11.336 -1.777 -4.993 1.00 0.00 C ATOM 721 SG CYS A 45 -12.081 -3.447 -5.027 1.00 0.00 S ATOM 0 H CYS A 45 -11.091 -2.291 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.300 -2.383 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.031 -1.090 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.202 -1.428 -6.017 1.00 0.00 H new ATOM 726 N TYR A 46 -9.694 0.467 -3.263 1.00 0.00 N ATOM 727 CA TYR A 46 -9.142 1.804 -3.115 1.00 0.00 C ATOM 728 C TYR A 46 -7.621 1.744 -3.045 1.00 0.00 C ATOM 729 O TYR A 46 -6.928 2.503 -3.724 1.00 0.00 O ATOM 730 CB TYR A 46 -9.727 2.452 -1.857 1.00 0.00 C ATOM 731 CG TYR A 46 -8.968 3.665 -1.361 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.055 4.887 -2.016 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.173 3.585 -0.223 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.373 5.995 -1.549 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.486 4.687 0.247 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.590 5.890 -0.419 1.00 0.00 C ATOM 737 OH TYR A 46 -6.918 6.993 0.052 1.00 0.00 O ATOM 0 H TYR A 46 -10.305 0.181 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.409 2.410 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.758 2.743 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.756 1.708 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.665 4.973 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.091 2.645 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.453 6.939 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.871 4.607 1.131 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.956 6.876 -0.092 1.00 0.00 H new ATOM 747 N ILE A 47 -7.117 0.817 -2.239 1.00 0.00 N ATOM 748 CA ILE A 47 -5.685 0.660 -2.039 1.00 0.00 C ATOM 749 C ILE A 47 -4.956 0.334 -3.342 1.00 0.00 C ATOM 750 O ILE A 47 -3.918 0.925 -3.628 1.00 0.00 O ATOM 751 CB ILE A 47 -5.375 -0.421 -0.976 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.838 0.044 0.416 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.887 -0.768 -0.962 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.188 1.332 0.890 1.00 0.00 C ATOM 0 H ILE A 47 -7.687 0.158 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.318 1.620 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.926 -1.323 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.919 0.180 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.627 -0.744 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.698 -1.530 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.593 -1.147 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.307 0.125 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.569 1.589 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.108 1.197 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.420 2.135 0.191 1.00 0.00 H new ATOM 766 N LYS A 48 -5.502 -0.578 -4.149 1.00 0.00 N ATOM 767 CA LYS A 48 -4.809 -0.978 -5.371 1.00 0.00 C ATOM 768 C LYS A 48 -4.745 0.177 -6.354 1.00 0.00 C ATOM 769 O LYS A 48 -3.726 0.395 -7.004 1.00 0.00 O ATOM 770 CB LYS A 48 -5.450 -2.195 -6.048 1.00 0.00 C ATOM 771 CG LYS A 48 -6.953 -2.305 -5.902 1.00 0.00 C ATOM 772 CD LYS A 48 -7.497 -3.507 -6.656 1.00 0.00 C ATOM 773 CE LYS A 48 -7.195 -3.442 -8.148 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.902 -2.320 -8.822 1.00 0.00 N ATOM 0 H LYS A 48 -6.396 -1.041 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.801 -1.264 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.207 -2.168 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.996 -3.098 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.212 -2.388 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.424 -1.396 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.067 -4.418 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.575 -3.567 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.121 -3.330 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.484 -4.383 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.719 -2.359 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.925 -2.401 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.558 -1.415 -8.443 1.00 0.00 H new ATOM 788 N CYS A 49 -5.850 0.912 -6.460 1.00 0.00 N ATOM 789 CA CYS A 49 -5.907 2.078 -7.328 1.00 0.00 C ATOM 790 C CYS A 49 -4.853 3.107 -6.926 1.00 0.00 C ATOM 791 O CYS A 49 -4.074 3.562 -7.760 1.00 0.00 O ATOM 792 CB CYS A 49 -7.304 2.699 -7.297 1.00 0.00 C ATOM 793 SG CYS A 49 -7.407 4.332 -8.101 1.00 0.00 S ATOM 0 H CYS A 49 -6.715 0.718 -5.955 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.694 1.756 -8.347 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.003 2.020 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.625 2.795 -6.260 1.00 0.00 H new ATOM 798 N VAL A 50 -4.818 3.449 -5.638 1.00 0.00 N ATOM 799 CA VAL A 50 -3.869 4.422 -5.124 1.00 0.00 C ATOM 800 C VAL A 50 -2.441 3.961 -5.372 1.00 0.00 C ATOM 801 O VAL A 50 -1.601 4.716 -5.864 1.00 0.00 O ATOM 802 CB VAL A 50 -4.089 4.656 -3.616 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.960 5.469 -3.013 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.413 5.353 -3.388 1.00 0.00 C ATOM 0 H VAL A 50 -5.443 3.060 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.033 5.361 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.103 3.685 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.146 5.616 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.017 4.938 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.904 6.438 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.560 5.514 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.412 6.314 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.222 4.734 -3.776 1.00 0.00 H new ATOM 814 N PHE A 51 -2.193 2.699 -5.062 1.00 0.00 N ATOM 815 CA PHE A 51 -0.885 2.094 -5.240 1.00 0.00 C ATOM 816 C PHE A 51 -0.490 2.069 -6.715 1.00 0.00 C ATOM 817 O PHE A 51 0.687 2.023 -7.057 1.00 0.00 O ATOM 818 CB PHE A 51 -0.898 0.678 -4.665 1.00 0.00 C ATOM 819 CG PHE A 51 -0.524 0.598 -3.211 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.817 1.638 -2.340 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.109 -0.528 -2.712 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.483 1.552 -1.002 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.445 -0.618 -1.376 1.00 0.00 C ATOM 824 CZ PHE A 51 0.148 0.424 -0.520 1.00 0.00 C ATOM 0 H PHE A 51 -2.895 2.065 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.145 2.693 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.894 0.254 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.210 0.058 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.311 2.523 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.343 -1.346 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.716 2.368 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.939 -1.502 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.409 0.356 0.526 1.00 0.00 H new ATOM 834 N ASN A 52 -1.486 2.106 -7.585 1.00 0.00 N ATOM 835 CA ASN A 52 -1.249 2.089 -9.020 1.00 0.00 C ATOM 836 C ASN A 52 -0.957 3.494 -9.539 1.00 0.00 C ATOM 837 O ASN A 52 -0.090 3.680 -10.394 1.00 0.00 O ATOM 838 CB ASN A 52 -2.449 1.484 -9.751 1.00 0.00 C ATOM 839 CG ASN A 52 -2.240 1.431 -11.251 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.714 2.294 -11.988 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.501 0.435 -11.708 1.00 0.00 N ATOM 0 H ASN A 52 -2.470 2.148 -7.321 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.375 1.468 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.631 0.477 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.340 2.072 -9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.305 0.362 -12.706 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.127 -0.260 -11.062 1.00 0.00 H new ATOM 848 N LYS A 53 -1.671 4.481 -9.004 1.00 0.00 N ATOM 849 CA LYS A 53 -1.436 5.880 -9.355 1.00 0.00 C ATOM 850 C LYS A 53 -0.068 6.333 -8.856 1.00 0.00 C ATOM 851 O LYS A 53 0.515 7.283 -9.378 1.00 0.00 O ATOM 852 CB LYS A 53 -2.521 6.786 -8.756 1.00 0.00 C ATOM 853 CG LYS A 53 -3.762 6.985 -9.628 1.00 0.00 C ATOM 854 CD LYS A 53 -4.451 5.676 -9.966 1.00 0.00 C ATOM 855 CE LYS A 53 -5.804 5.909 -10.626 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.694 6.693 -11.883 1.00 0.00 N ATOM 0 H LYS A 53 -2.418 4.338 -8.325 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.469 5.960 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.833 6.367 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.082 7.762 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.464 7.639 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.477 7.490 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.816 5.091 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.585 5.089 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.271 4.948 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.459 6.433 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.620 6.724 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.385 7.661 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.999 6.243 -12.513 1.00 0.00 H new ATOM 870 N MET A 54 0.431 5.646 -7.837 1.00 0.00 N ATOM 871 CA MET A 54 1.733 5.949 -7.260 1.00 0.00 C ATOM 872 C MET A 54 2.835 5.123 -7.916 1.00 0.00 C ATOM 873 O MET A 54 4.010 5.253 -7.580 1.00 0.00 O ATOM 874 CB MET A 54 1.706 5.682 -5.757 1.00 0.00 C ATOM 875 CG MET A 54 0.836 6.659 -4.993 1.00 0.00 C ATOM 876 SD MET A 54 0.451 6.108 -3.322 1.00 0.00 S ATOM 877 CE MET A 54 1.986 6.443 -2.473 1.00 0.00 C ATOM 0 H MET A 54 -0.053 4.867 -7.389 1.00 0.00 H new ATOM 0 HA MET A 54 1.949 7.002 -7.440 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.344 4.669 -5.581 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.723 5.730 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.341 7.624 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.093 6.814 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.814 6.442 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.716 5.674 -2.724 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.366 7.418 -2.779 1.00 0.00 H new ATOM 887 N GLN A 55 2.425 4.278 -8.867 1.00 0.00 N ATOM 888 CA GLN A 55 3.327 3.370 -9.570 1.00 0.00 C ATOM 889 C GLN A 55 4.066 2.457 -8.598 1.00 0.00 C ATOM 890 O GLN A 55 5.291 2.349 -8.628 1.00 0.00 O ATOM 891 CB GLN A 55 4.299 4.156 -10.446 1.00 0.00 C ATOM 892 CG GLN A 55 3.644 4.687 -11.705 1.00 0.00 C ATOM 893 CD GLN A 55 4.579 5.534 -12.547 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.500 6.171 -12.032 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.337 5.560 -13.847 1.00 0.00 N ATOM 0 H GLN A 55 1.454 4.207 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 55 2.728 2.730 -10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.707 4.989 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.137 3.515 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.285 3.849 -12.302 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.772 5.281 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.564 5.018 -14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.923 6.122 -14.464 1.00 0.00 H new ATOM 904 N LEU A 56 3.301 1.789 -7.747 1.00 0.00 N ATOM 905 CA LEU A 56 3.858 0.963 -6.689 1.00 0.00 C ATOM 906 C LEU A 56 3.308 -0.464 -6.738 1.00 0.00 C ATOM 907 O LEU A 56 3.907 -1.392 -6.192 1.00 0.00 O ATOM 908 CB LEU A 56 3.549 1.609 -5.331 1.00 0.00 C ATOM 909 CG LEU A 56 4.687 2.438 -4.736 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.243 3.099 -3.440 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.908 1.572 -4.489 1.00 0.00 C ATOM 0 H LEU A 56 2.281 1.805 -7.771 1.00 0.00 H new ATOM 0 HA LEU A 56 4.937 0.898 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.673 2.248 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.284 0.823 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 56 4.952 3.215 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.066 3.685 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.394 3.754 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.951 2.333 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.706 2.181 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.653 0.773 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.243 1.139 -5.431 1.00 0.00 H new ATOM 923 N PHE A 57 2.168 -0.638 -7.399 1.00 0.00 N ATOM 924 CA PHE A 57 1.525 -1.943 -7.485 1.00 0.00 C ATOM 925 C PHE A 57 1.028 -2.191 -8.901 1.00 0.00 C ATOM 926 O PHE A 57 0.498 -1.289 -9.556 1.00 0.00 O ATOM 927 CB PHE A 57 0.356 -2.045 -6.487 1.00 0.00 C ATOM 928 CG PHE A 57 -0.454 -3.312 -6.596 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.030 -4.482 -5.986 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.649 -3.327 -7.303 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.777 -5.642 -6.082 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.398 -4.483 -7.403 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.963 -5.642 -6.793 1.00 0.00 C ATOM 0 H PHE A 57 1.671 0.109 -7.883 1.00 0.00 H new ATOM 0 HA PHE A 57 2.262 -2.705 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.752 -1.969 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.306 -1.192 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.895 -4.488 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.997 -2.423 -7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.434 -6.547 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.324 -4.480 -7.959 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.547 -6.547 -6.871 1.00 0.00 H new ATOM 943 N ASP A 58 1.214 -3.412 -9.362 1.00 0.00 N ATOM 944 CA ASP A 58 0.739 -3.825 -10.670 1.00 0.00 C ATOM 945 C ASP A 58 -0.271 -4.949 -10.486 1.00 0.00 C ATOM 946 O ASP A 58 -0.066 -5.842 -9.670 1.00 0.00 O ATOM 947 CB ASP A 58 1.923 -4.285 -11.533 1.00 0.00 C ATOM 948 CG ASP A 58 1.523 -4.673 -12.941 1.00 0.00 C ATOM 949 OD1 ASP A 58 0.977 -5.774 -13.132 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.768 -3.879 -13.871 1.00 0.00 O ATOM 0 H ASP A 58 1.697 -4.145 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 58 0.257 -2.990 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.662 -3.485 -11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.405 -5.136 -11.052 1.00 0.00 H new ATOM 955 N ASP A 59 -1.368 -4.892 -11.230 1.00 0.00 N ATOM 956 CA ASP A 59 -2.475 -5.834 -11.047 1.00 0.00 C ATOM 957 C ASP A 59 -2.077 -7.242 -11.468 1.00 0.00 C ATOM 958 O ASP A 59 -2.732 -8.217 -11.107 1.00 0.00 O ATOM 959 CB ASP A 59 -3.699 -5.391 -11.848 1.00 0.00 C ATOM 960 CG ASP A 59 -4.224 -4.035 -11.421 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.732 -3.012 -11.939 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.142 -3.985 -10.576 1.00 0.00 O ATOM 0 H ASP A 59 -1.519 -4.204 -11.968 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.723 -5.843 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.442 -5.358 -12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.489 -6.133 -11.735 1.00 0.00 H new ATOM 967 N THR A 60 -1.013 -7.333 -12.242 1.00 0.00 N ATOM 968 CA THR A 60 -0.513 -8.607 -12.716 1.00 0.00 C ATOM 969 C THR A 60 0.678 -9.090 -11.877 1.00 0.00 C ATOM 970 O THR A 60 0.612 -10.142 -11.238 1.00 0.00 O ATOM 971 CB THR A 60 -0.102 -8.493 -14.193 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.265 -8.280 -15.005 1.00 0.00 O ATOM 973 CG2 THR A 60 0.637 -9.732 -14.660 1.00 0.00 C ATOM 0 H THR A 60 -0.473 -6.528 -12.559 1.00 0.00 H new ATOM 0 HA THR A 60 -1.314 -9.340 -12.616 1.00 0.00 H new ATOM 0 HB THR A 60 0.574 -7.644 -14.292 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.998 -8.206 -15.945 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.913 -9.618 -15.708 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.537 -9.866 -14.061 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.007 -10.604 -14.547 1.00 0.00 H new ATOM 981 N GLU A 61 1.757 -8.310 -11.879 1.00 0.00 N ATOM 982 CA GLU A 61 2.992 -8.696 -11.200 1.00 0.00 C ATOM 983 C GLU A 61 2.917 -8.451 -9.694 1.00 0.00 C ATOM 984 O GLU A 61 3.820 -8.843 -8.953 1.00 0.00 O ATOM 985 CB GLU A 61 4.178 -7.933 -11.779 1.00 0.00 C ATOM 986 CG GLU A 61 4.200 -7.910 -13.292 1.00 0.00 C ATOM 987 CD GLU A 61 5.337 -7.076 -13.841 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.509 -7.488 -13.707 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.066 -6.010 -14.425 1.00 0.00 O ATOM 0 H GLU A 61 1.801 -7.404 -12.345 1.00 0.00 H new ATOM 0 HA GLU A 61 3.126 -9.765 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.157 -6.908 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.102 -8.384 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.288 -8.930 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.253 -7.515 -13.660 1.00 0.00 H new ATOM 996 N GLY A 62 1.859 -7.795 -9.245 1.00 0.00 N ATOM 997 CA GLY A 62 1.694 -7.550 -7.826 1.00 0.00 C ATOM 998 C GLY A 62 2.523 -6.383 -7.328 1.00 0.00 C ATOM 999 O GLY A 62 2.826 -5.464 -8.092 1.00 0.00 O ATOM 0 H GLY A 62 1.112 -7.428 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.642 -7.358 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.971 -8.448 -7.273 1.00 0.00 H new ATOM 1003 N PRO A 63 2.887 -6.392 -6.036 1.00 0.00 N ATOM 1004 CA PRO A 63 3.720 -5.350 -5.430 1.00 0.00 C ATOM 1005 C PRO A 63 5.069 -5.223 -6.130 1.00 0.00 C ATOM 1006 O PRO A 63 5.818 -6.197 -6.235 1.00 0.00 O ATOM 1007 CB PRO A 63 3.913 -5.824 -3.982 1.00 0.00 C ATOM 1008 CG PRO A 63 2.825 -6.811 -3.735 1.00 0.00 C ATOM 1009 CD PRO A 63 2.502 -7.430 -5.069 1.00 0.00 C ATOM 0 HA PRO A 63 3.256 -4.366 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.894 -6.280 -3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.850 -4.989 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.144 -7.571 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.947 -6.324 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.060 -8.353 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.444 -7.680 -5.149 1.00 0.00 H new ATOM 1017 N LEU A 64 5.367 -4.025 -6.609 1.00 0.00 N ATOM 1018 CA LEU A 64 6.619 -3.769 -7.308 1.00 0.00 C ATOM 1019 C LEU A 64 7.713 -3.451 -6.303 1.00 0.00 C ATOM 1020 O LEU A 64 7.894 -2.302 -5.902 1.00 0.00 O ATOM 1021 CB LEU A 64 6.456 -2.619 -8.303 1.00 0.00 C ATOM 1022 CG LEU A 64 5.280 -2.784 -9.269 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.123 -1.556 -10.153 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.474 -4.029 -10.118 1.00 0.00 C ATOM 0 H LEU A 64 4.757 -3.212 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 64 6.899 -4.662 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.328 -1.689 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.375 -2.521 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 64 4.367 -2.894 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.281 -1.700 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.943 -0.680 -9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.033 -1.407 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.632 -4.138 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.397 -3.939 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.532 -4.905 -9.472 1.00 0.00 H new ATOM 1036 N VAL A 65 8.433 -4.496 -5.914 1.00 0.00 N ATOM 1037 CA VAL A 65 9.432 -4.429 -4.854 1.00 0.00 C ATOM 1038 C VAL A 65 10.444 -3.304 -5.066 1.00 0.00 C ATOM 1039 O VAL A 65 10.761 -2.573 -4.130 1.00 0.00 O ATOM 1040 CB VAL A 65 10.179 -5.766 -4.722 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.298 -5.665 -3.697 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.210 -6.871 -4.343 1.00 0.00 C ATOM 0 H VAL A 65 8.339 -5.423 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 65 8.886 -4.217 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 65 10.626 -6.006 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.811 -6.624 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.007 -4.897 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.879 -5.401 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.750 -7.813 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.738 -6.630 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.445 -6.964 -5.114 1.00 0.00 H new ATOM 1052 N ASP A 66 10.937 -3.159 -6.290 1.00 0.00 N ATOM 1053 CA ASP A 66 11.959 -2.156 -6.588 1.00 0.00 C ATOM 1054 C ASP A 66 11.477 -0.752 -6.229 1.00 0.00 C ATOM 1055 O ASP A 66 12.128 -0.038 -5.463 1.00 0.00 O ATOM 1056 CB ASP A 66 12.349 -2.214 -8.061 1.00 0.00 C ATOM 1057 CG ASP A 66 13.484 -1.264 -8.406 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.661 -1.650 -8.238 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.208 -0.132 -8.859 1.00 0.00 O ATOM 0 H ASP A 66 10.649 -3.720 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 66 12.835 -2.382 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.643 -3.232 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.480 -1.972 -8.672 1.00 0.00 H new ATOM 1064 N ASN A 67 10.323 -0.369 -6.764 1.00 0.00 N ATOM 1065 CA ASN A 67 9.736 0.934 -6.468 1.00 0.00 C ATOM 1066 C ASN A 67 9.390 1.039 -4.989 1.00 0.00 C ATOM 1067 O ASN A 67 9.512 2.103 -4.386 1.00 0.00 O ATOM 1068 CB ASN A 67 8.484 1.172 -7.316 1.00 0.00 C ATOM 1069 CG ASN A 67 8.798 1.432 -8.778 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.805 0.963 -9.309 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.930 2.176 -9.442 1.00 0.00 N ATOM 0 H ASN A 67 9.775 -0.942 -7.405 1.00 0.00 H new ATOM 0 HA ASN A 67 10.472 1.699 -6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.830 0.304 -7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.934 2.022 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.083 2.379 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.107 2.547 -8.967 1.00 0.00 H new ATOM 1078 N LEU A 68 8.980 -0.083 -4.411 1.00 0.00 N ATOM 1079 CA LEU A 68 8.614 -0.145 -3.000 1.00 0.00 C ATOM 1080 C LEU A 68 9.793 0.208 -2.102 1.00 0.00 C ATOM 1081 O LEU A 68 9.640 0.943 -1.131 1.00 0.00 O ATOM 1082 CB LEU A 68 8.070 -1.531 -2.659 1.00 0.00 C ATOM 1083 CG LEU A 68 6.596 -1.732 -3.001 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.243 -3.208 -3.025 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.724 -1.003 -1.997 1.00 0.00 C ATOM 0 H LEU A 68 8.892 -0.972 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 68 7.833 0.594 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.659 -2.280 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.211 -1.711 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 68 6.416 -1.321 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.188 -3.326 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.849 -3.715 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.438 -3.645 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.674 -1.153 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.916 -1.393 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.954 0.062 -2.021 1.00 0.00 H new ATOM 1097 N VAL A 69 10.966 -0.308 -2.435 1.00 0.00 N ATOM 1098 CA VAL A 69 12.176 0.000 -1.690 1.00 0.00 C ATOM 1099 C VAL A 69 12.589 1.452 -1.911 1.00 0.00 C ATOM 1100 O VAL A 69 12.910 2.158 -0.964 1.00 0.00 O ATOM 1101 CB VAL A 69 13.327 -0.934 -2.093 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.584 -0.597 -1.318 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.938 -2.381 -1.866 1.00 0.00 C ATOM 0 H VAL A 69 11.105 -0.945 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 69 11.960 -0.152 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 69 13.529 -0.791 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.388 -1.270 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.875 0.432 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.395 -0.711 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.764 -3.030 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.709 -2.535 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.060 -2.620 -2.467 1.00 0.00 H new ATOM 1113 N HIS A 70 12.543 1.903 -3.159 1.00 0.00 N ATOM 1114 CA HIS A 70 12.921 3.281 -3.487 1.00 0.00 C ATOM 1115 C HIS A 70 11.991 4.287 -2.811 1.00 0.00 C ATOM 1116 O HIS A 70 12.353 5.441 -2.595 1.00 0.00 O ATOM 1117 CB HIS A 70 12.915 3.504 -5.000 1.00 0.00 C ATOM 1118 CG HIS A 70 14.130 2.963 -5.692 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.415 1.723 -6.154 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.236 3.735 -5.976 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.670 1.770 -6.701 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 16.144 2.994 -6.581 1.00 0.00 N flip ATOM 0 H HIS A 70 12.250 1.342 -3.959 1.00 0.00 H new ATOM 0 HA HIS A 70 13.932 3.439 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.027 3.036 -5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.838 4.573 -5.201 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.808 0.905 -6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.343 4.783 -5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.187 0.939 -7.157 1.00 0.00 H new ATOM 1131 N GLN A 71 10.795 3.834 -2.488 1.00 0.00 N ATOM 1132 CA GLN A 71 9.801 4.667 -1.826 1.00 0.00 C ATOM 1133 C GLN A 71 9.936 4.567 -0.307 1.00 0.00 C ATOM 1134 O GLN A 71 10.187 5.562 0.373 1.00 0.00 O ATOM 1135 CB GLN A 71 8.402 4.222 -2.268 1.00 0.00 C ATOM 1136 CG GLN A 71 7.247 5.052 -1.712 1.00 0.00 C ATOM 1137 CD GLN A 71 7.376 6.537 -1.986 1.00 0.00 C ATOM 1138 OE1 GLN A 71 6.988 7.025 -3.047 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.870 7.269 -1.005 1.00 0.00 N ATOM 0 H GLN A 71 10.482 2.881 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 71 9.960 5.708 -2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.357 4.250 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.258 3.184 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.313 4.692 -2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.183 4.894 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.180 6.823 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.942 8.281 -1.110 1.00 0.00 H new ATOM 1148 N LEU A 72 9.774 3.359 0.212 1.00 0.00 N ATOM 1149 CA LEU A 72 9.748 3.128 1.655 1.00 0.00 C ATOM 1150 C LEU A 72 11.095 3.381 2.322 1.00 0.00 C ATOM 1151 O LEU A 72 11.147 3.971 3.399 1.00 0.00 O ATOM 1152 CB LEU A 72 9.275 1.708 1.966 1.00 0.00 C ATOM 1153 CG LEU A 72 7.805 1.437 1.652 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.486 -0.037 1.845 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.900 2.289 2.532 1.00 0.00 C ATOM 0 H LEU A 72 9.657 2.514 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 72 9.042 3.849 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.888 1.005 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.449 1.506 3.023 1.00 0.00 H new ATOM 0 HG LEU A 72 7.624 1.703 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.435 -0.215 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.108 -0.634 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.686 -0.320 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.858 2.080 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.085 2.053 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.109 3.344 2.355 1.00 0.00 H new ATOM 1167 N ALA A 73 12.183 2.949 1.688 1.00 0.00 N ATOM 1168 CA ALA A 73 13.523 3.102 2.255 1.00 0.00 C ATOM 1169 C ALA A 73 14.018 4.551 2.208 1.00 0.00 C ATOM 1170 O ALA A 73 15.215 4.805 2.052 1.00 0.00 O ATOM 1171 CB ALA A 73 14.499 2.183 1.543 1.00 0.00 C ATOM 0 H ALA A 73 12.163 2.488 0.778 1.00 0.00 H new ATOM 0 HA ALA A 73 13.463 2.822 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.493 2.305 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.177 1.148 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.529 2.435 0.483 1.00 0.00 H new ATOM 1177 N HIS A 74 13.094 5.492 2.344 1.00 0.00 N ATOM 1178 CA HIS A 74 13.422 6.911 2.375 1.00 0.00 C ATOM 1179 C HIS A 74 14.097 7.253 3.703 1.00 0.00 C ATOM 1180 O HIS A 74 13.452 7.723 4.641 1.00 0.00 O ATOM 1181 CB HIS A 74 12.149 7.757 2.175 1.00 0.00 C ATOM 1182 CG HIS A 74 12.381 9.238 2.121 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.917 10.106 3.088 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.007 10.011 1.199 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.245 11.341 2.763 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.907 11.313 1.622 1.00 0.00 N ATOM 0 H HIS A 74 12.098 5.294 2.436 1.00 0.00 H new ATOM 0 HA HIS A 74 14.112 7.139 1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.664 7.445 1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.455 7.541 2.987 1.00 0.00 H new ATOM 0 HD1 HIS A 74 11.400 9.834 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.494 9.666 0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.011 12.227 3.335 1.00 0.00 H new ATOM 1195 N GLY A 75 15.395 6.990 3.780 1.00 0.00 N ATOM 1196 CA GLY A 75 16.141 7.257 4.993 1.00 0.00 C ATOM 1197 C GLY A 75 16.373 6.007 5.819 1.00 0.00 C ATOM 1198 O GLY A 75 16.508 6.081 7.041 1.00 0.00 O ATOM 0 H GLY A 75 15.947 6.594 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.102 7.701 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.602 7.990 5.593 1.00 0.00 H new ATOM 1202 N ARG A 76 16.418 4.856 5.155 1.00 0.00 N ATOM 1203 CA ARG A 76 16.696 3.587 5.826 1.00 0.00 C ATOM 1204 C ARG A 76 17.436 2.635 4.897 1.00 0.00 C ATOM 1205 O ARG A 76 17.454 2.833 3.680 1.00 0.00 O ATOM 1206 CB ARG A 76 15.409 2.920 6.319 1.00 0.00 C ATOM 1207 CG ARG A 76 15.024 3.287 7.742 1.00 0.00 C ATOM 1208 CD ARG A 76 14.053 2.280 8.333 1.00 0.00 C ATOM 1209 NE ARG A 76 13.472 2.750 9.588 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.598 2.059 10.319 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.244 0.833 9.958 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.095 2.592 11.425 1.00 0.00 N ATOM 0 H ARG A 76 16.265 4.774 4.150 1.00 0.00 H new ATOM 0 HA ARG A 76 17.324 3.810 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.592 3.194 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.525 1.838 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.920 3.337 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.573 4.279 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.256 2.082 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.570 1.336 8.504 1.00 0.00 H new ATOM 0 HE ARG A 76 13.754 3.669 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.641 0.414 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.575 0.309 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.377 3.529 11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.426 2.065 11.986 1.00 0.00 H new ATOM 1226 N ASP A 77 18.043 1.609 5.487 1.00 0.00 N ATOM 1227 CA ASP A 77 18.753 0.576 4.740 1.00 0.00 C ATOM 1228 C ASP A 77 17.810 -0.164 3.806 1.00 0.00 C ATOM 1229 O ASP A 77 16.925 -0.903 4.243 1.00 0.00 O ATOM 1230 CB ASP A 77 19.421 -0.413 5.697 1.00 0.00 C ATOM 1231 CG ASP A 77 20.506 0.235 6.533 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.184 0.807 7.595 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.690 0.180 6.134 1.00 0.00 O ATOM 0 H ASP A 77 18.056 1.471 6.497 1.00 0.00 H new ATOM 0 HA ASP A 77 19.522 1.064 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.666 -0.843 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.850 -1.235 5.124 1.00 0.00 H new ATOM 1238 N ALA A 78 18.028 0.047 2.517 1.00 0.00 N ATOM 1239 CA ALA A 78 17.188 -0.508 1.467 1.00 0.00 C ATOM 1240 C ALA A 78 17.123 -2.032 1.528 1.00 0.00 C ATOM 1241 O ALA A 78 16.073 -2.622 1.277 1.00 0.00 O ATOM 1242 CB ALA A 78 17.714 -0.060 0.119 1.00 0.00 C ATOM 0 H ALA A 78 18.800 0.614 2.167 1.00 0.00 H new ATOM 0 HA ALA A 78 16.173 -0.139 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.088 -0.473 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.696 1.028 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.738 -0.412 -0.007 1.00 0.00 H new ATOM 1248 N GLU A 79 18.246 -2.657 1.866 1.00 0.00 N ATOM 1249 CA GLU A 79 18.326 -4.116 1.957 1.00 0.00 C ATOM 1250 C GLU A 79 17.311 -4.661 2.958 1.00 0.00 C ATOM 1251 O GLU A 79 16.616 -5.645 2.687 1.00 0.00 O ATOM 1252 CB GLU A 79 19.737 -4.555 2.351 1.00 0.00 C ATOM 1253 CG GLU A 79 20.770 -4.352 1.254 1.00 0.00 C ATOM 1254 CD GLU A 79 22.134 -4.886 1.633 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.979 -4.101 2.110 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.368 -6.100 1.467 1.00 0.00 O ATOM 0 H GLU A 79 19.119 -2.176 2.083 1.00 0.00 H new ATOM 0 HA GLU A 79 18.092 -4.523 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.047 -4.000 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.716 -5.609 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.430 -4.847 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.850 -3.289 1.028 1.00 0.00 H new ATOM 1263 N GLU A 80 17.222 -4.009 4.110 1.00 0.00 N ATOM 1264 CA GLU A 80 16.276 -4.405 5.138 1.00 0.00 C ATOM 1265 C GLU A 80 14.847 -4.161 4.660 1.00 0.00 C ATOM 1266 O GLU A 80 13.980 -5.024 4.792 1.00 0.00 O ATOM 1267 CB GLU A 80 16.550 -3.636 6.428 1.00 0.00 C ATOM 1268 CG GLU A 80 15.590 -3.977 7.551 1.00 0.00 C ATOM 1269 CD GLU A 80 15.965 -3.330 8.865 1.00 0.00 C ATOM 1270 OE1 GLU A 80 15.305 -2.345 9.262 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.924 -3.802 9.511 1.00 0.00 O ATOM 0 H GLU A 80 17.796 -3.202 4.354 1.00 0.00 H new ATOM 0 HA GLU A 80 16.396 -5.470 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.569 -3.843 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.492 -2.567 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.585 -3.662 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.560 -5.059 7.680 1.00 0.00 H new ATOM 1278 N VAL A 81 14.630 -2.985 4.080 1.00 0.00 N ATOM 1279 CA VAL A 81 13.321 -2.599 3.563 1.00 0.00 C ATOM 1280 C VAL A 81 12.816 -3.588 2.512 1.00 0.00 C ATOM 1281 O VAL A 81 11.674 -4.044 2.580 1.00 0.00 O ATOM 1282 CB VAL A 81 13.371 -1.183 2.965 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.039 -0.792 2.347 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.772 -0.196 4.036 1.00 0.00 C ATOM 0 H VAL A 81 15.352 -2.276 3.955 1.00 0.00 H new ATOM 0 HA VAL A 81 12.625 -2.610 4.402 1.00 0.00 H new ATOM 0 HB VAL A 81 14.114 -1.171 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.111 0.214 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.787 -1.493 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.262 -0.816 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.807 0.807 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.043 -0.222 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.756 -0.460 4.424 1.00 0.00 H new ATOM 1294 N ARG A 82 13.675 -3.914 1.546 1.00 0.00 N ATOM 1295 CA ARG A 82 13.356 -4.893 0.513 1.00 0.00 C ATOM 1296 C ARG A 82 12.908 -6.204 1.141 1.00 0.00 C ATOM 1297 O ARG A 82 11.929 -6.812 0.712 1.00 0.00 O ATOM 1298 CB ARG A 82 14.582 -5.143 -0.358 1.00 0.00 C ATOM 1299 CG ARG A 82 14.283 -5.975 -1.587 1.00 0.00 C ATOM 1300 CD ARG A 82 15.561 -6.419 -2.271 1.00 0.00 C ATOM 1301 NE ARG A 82 15.302 -7.138 -3.516 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.125 -8.044 -4.040 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.245 -8.377 -3.409 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.822 -8.630 -5.190 1.00 0.00 N ATOM 0 H ARG A 82 14.607 -3.508 1.460 1.00 0.00 H new ATOM 0 HA ARG A 82 12.545 -4.498 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.000 -4.185 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.345 -5.646 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.696 -6.849 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.677 -5.396 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.181 -5.547 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.129 -7.059 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 82 14.436 -6.933 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.478 -7.938 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.872 -9.072 -3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.958 -8.387 -5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.453 -9.324 -5.591 1.00 0.00 H new ATOM 1318 N THR A 83 13.627 -6.612 2.173 1.00 0.00 N ATOM 1319 CA THR A 83 13.360 -7.860 2.862 1.00 0.00 C ATOM 1320 C THR A 83 11.973 -7.849 3.508 1.00 0.00 C ATOM 1321 O THR A 83 11.161 -8.750 3.281 1.00 0.00 O ATOM 1322 CB THR A 83 14.439 -8.099 3.931 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.699 -8.348 3.293 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.078 -9.254 4.849 1.00 0.00 C ATOM 0 H THR A 83 14.413 -6.086 2.556 1.00 0.00 H new ATOM 0 HA THR A 83 13.383 -8.669 2.132 1.00 0.00 H new ATOM 0 HB THR A 83 14.509 -7.203 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.117 -7.495 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.866 -9.390 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.138 -9.036 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.971 -10.166 4.262 1.00 0.00 H new ATOM 1332 N GLU A 84 11.710 -6.816 4.305 1.00 0.00 N ATOM 1333 CA GLU A 84 10.429 -6.668 4.986 1.00 0.00 C ATOM 1334 C GLU A 84 9.266 -6.639 3.995 1.00 0.00 C ATOM 1335 O GLU A 84 8.212 -7.227 4.252 1.00 0.00 O ATOM 1336 CB GLU A 84 10.421 -5.399 5.837 1.00 0.00 C ATOM 1337 CG GLU A 84 11.584 -5.315 6.807 1.00 0.00 C ATOM 1338 CD GLU A 84 11.316 -4.376 7.960 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.719 -3.196 7.891 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.707 -4.823 8.957 1.00 0.00 O ATOM 0 H GLU A 84 12.373 -6.065 4.495 1.00 0.00 H new ATOM 0 HA GLU A 84 10.299 -7.535 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.443 -4.530 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.487 -5.352 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.799 -6.310 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.474 -4.983 6.273 1.00 0.00 H new ATOM 1347 N VAL A 85 9.453 -5.948 2.873 1.00 0.00 N ATOM 1348 CA VAL A 85 8.451 -5.918 1.818 1.00 0.00 C ATOM 1349 C VAL A 85 8.171 -7.322 1.287 1.00 0.00 C ATOM 1350 O VAL A 85 7.020 -7.752 1.229 1.00 0.00 O ATOM 1351 CB VAL A 85 8.898 -5.012 0.653 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.044 -5.253 -0.579 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.830 -3.554 1.066 1.00 0.00 C ATOM 0 H VAL A 85 10.291 -5.402 2.674 1.00 0.00 H new ATOM 0 HA VAL A 85 7.537 -5.513 2.253 1.00 0.00 H new ATOM 0 HB VAL A 85 9.930 -5.259 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.379 -4.602 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.138 -6.294 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.001 -5.036 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.148 -2.925 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.806 -3.301 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.487 -3.387 1.920 1.00 0.00 H new ATOM 1363 N LEU A 86 9.236 -8.034 0.922 1.00 0.00 N ATOM 1364 CA LEU A 86 9.128 -9.374 0.352 1.00 0.00 C ATOM 1365 C LEU A 86 8.369 -10.323 1.273 1.00 0.00 C ATOM 1366 O LEU A 86 7.670 -11.221 0.809 1.00 0.00 O ATOM 1367 CB LEU A 86 10.518 -9.936 0.065 1.00 0.00 C ATOM 1368 CG LEU A 86 11.259 -9.257 -1.079 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.730 -9.630 -1.046 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.640 -9.643 -2.409 1.00 0.00 C ATOM 0 H LEU A 86 10.195 -7.699 1.013 1.00 0.00 H new ATOM 0 HA LEU A 86 8.566 -9.290 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.121 -9.854 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.425 -10.998 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 86 11.174 -8.177 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.249 -9.138 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.165 -9.310 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.834 -10.710 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.179 -9.151 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.700 -10.724 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.595 -9.333 -2.428 1.00 0.00 H new ATOM 1382 N LYS A 87 8.497 -10.102 2.577 1.00 0.00 N ATOM 1383 CA LYS A 87 7.827 -10.940 3.568 1.00 0.00 C ATOM 1384 C LYS A 87 6.323 -10.693 3.568 1.00 0.00 C ATOM 1385 O LYS A 87 5.551 -11.486 4.106 1.00 0.00 O ATOM 1386 CB LYS A 87 8.402 -10.684 4.961 1.00 0.00 C ATOM 1387 CG LYS A 87 9.815 -11.213 5.138 1.00 0.00 C ATOM 1388 CD LYS A 87 10.378 -10.876 6.507 1.00 0.00 C ATOM 1389 CE LYS A 87 11.758 -11.480 6.705 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.725 -12.966 6.674 1.00 0.00 N ATOM 0 H LYS A 87 9.059 -9.349 2.974 1.00 0.00 H new ATOM 0 HA LYS A 87 8.002 -11.982 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.396 -9.612 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.753 -11.147 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.818 -12.294 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.460 -10.792 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.433 -9.794 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.704 -11.245 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.428 -11.116 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.166 -11.146 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.608 -13.341 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.918 -13.307 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.625 -13.291 5.691 1.00 0.00 H new ATOM 1404 N CYS A 88 5.915 -9.600 2.947 1.00 0.00 N ATOM 1405 CA CYS A 88 4.507 -9.245 2.856 1.00 0.00 C ATOM 1406 C CYS A 88 3.999 -9.434 1.430 1.00 0.00 C ATOM 1407 O CYS A 88 2.807 -9.287 1.155 1.00 0.00 O ATOM 1408 CB CYS A 88 4.294 -7.805 3.320 1.00 0.00 C ATOM 1409 SG CYS A 88 4.243 -7.617 5.135 1.00 0.00 S ATOM 0 H CYS A 88 6.544 -8.937 2.494 1.00 0.00 H new ATOM 0 HA CYS A 88 3.937 -9.906 3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.095 -7.182 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.361 -7.431 2.899 1.00 0.00 H new ATOM 1414 N VAL A 89 4.916 -9.749 0.521 1.00 0.00 N ATOM 1415 CA VAL A 89 4.560 -10.020 -0.859 1.00 0.00 C ATOM 1416 C VAL A 89 4.033 -11.442 -1.003 1.00 0.00 C ATOM 1417 O VAL A 89 4.802 -12.405 -1.062 1.00 0.00 O ATOM 1418 CB VAL A 89 5.759 -9.814 -1.806 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.382 -10.179 -3.230 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.258 -8.382 -1.750 1.00 0.00 C ATOM 0 H VAL A 89 5.914 -9.822 0.721 1.00 0.00 H new ATOM 0 HA VAL A 89 3.779 -9.313 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 89 6.563 -10.471 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.241 -10.027 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.077 -11.225 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.558 -9.548 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.104 -8.265 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.457 -7.706 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.572 -8.146 -0.733 1.00 0.00 H new ATOM 1430 N ASP A 90 2.721 -11.558 -1.060 1.00 0.00 N ATOM 1431 CA ASP A 90 2.070 -12.853 -1.204 1.00 0.00 C ATOM 1432 C ASP A 90 1.581 -13.048 -2.628 1.00 0.00 C ATOM 1433 O ASP A 90 1.632 -12.127 -3.446 1.00 0.00 O ATOM 1434 CB ASP A 90 0.896 -12.993 -0.230 1.00 0.00 C ATOM 1435 CG ASP A 90 1.341 -13.329 1.181 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.569 -14.526 1.465 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.454 -12.407 2.016 1.00 0.00 O ATOM 0 H ASP A 90 2.078 -10.768 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 90 2.807 -13.622 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.329 -12.062 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.223 -13.771 -0.589 1.00 0.00 H new ATOM 1442 N LYS A 91 1.125 -14.254 -2.917 1.00 0.00 N ATOM 1443 CA LYS A 91 0.649 -14.605 -4.247 1.00 0.00 C ATOM 1444 C LYS A 91 -0.857 -14.402 -4.342 1.00 0.00 C ATOM 1445 O LYS A 91 -1.555 -14.376 -3.325 1.00 0.00 O ATOM 1446 CB LYS A 91 1.010 -16.054 -4.567 1.00 0.00 C ATOM 1447 CG LYS A 91 2.421 -16.425 -4.150 1.00 0.00 C ATOM 1448 CD LYS A 91 2.837 -17.777 -4.704 1.00 0.00 C ATOM 1449 CE LYS A 91 4.248 -18.142 -4.271 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.705 -19.417 -4.880 1.00 0.00 N ATOM 0 H LYS A 91 1.073 -15.016 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 91 1.132 -13.953 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.304 -16.717 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.899 -16.221 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.116 -15.660 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.486 -16.443 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.140 -18.542 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.782 -17.759 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.932 -17.341 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.284 -18.226 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.671 -19.629 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.068 -20.187 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.696 -19.330 -5.916 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.346 -14.255 -5.566 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.760 -13.989 -5.814 1.00 0.00 C ATOM 1466 C ASN A 92 -3.581 -15.266 -5.680 1.00 0.00 C ATOM 1467 O ASN A 92 -4.061 -15.825 -6.667 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.950 -13.378 -7.206 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.371 -12.896 -7.466 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.127 -12.604 -6.538 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.733 -12.787 -8.738 1.00 0.00 N ATOM 0 H ASN A 92 -0.779 -14.316 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.111 -13.276 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.263 -12.540 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.682 -14.119 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.666 -12.451 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.078 -13.039 -9.478 1.00 0.00 H new ATOM 1478 N THR A 93 -3.725 -15.728 -4.450 1.00 0.00 N ATOM 1479 CA THR A 93 -4.523 -16.904 -4.163 1.00 0.00 C ATOM 1480 C THR A 93 -5.990 -16.530 -4.008 1.00 0.00 C ATOM 1481 O THR A 93 -6.876 -17.370 -4.153 1.00 0.00 O ATOM 1482 CB THR A 93 -4.035 -17.604 -2.882 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.059 -16.690 -1.775 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.627 -18.135 -3.069 1.00 0.00 C ATOM 0 H THR A 93 -3.295 -15.302 -3.629 1.00 0.00 H new ATOM 0 HA THR A 93 -4.413 -17.591 -5.002 1.00 0.00 H new ATOM 0 HB THR A 93 -4.705 -18.439 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.748 -17.148 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.299 -18.627 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.615 -18.852 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.954 -17.309 -3.298 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.238 -15.256 -3.724 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.597 -14.768 -3.515 1.00 0.00 C ATOM 1494 C ASP A 94 -8.301 -14.562 -4.844 1.00 0.00 C ATOM 1495 O ASP A 94 -9.525 -14.424 -4.901 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.601 -13.450 -2.732 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.991 -13.579 -1.350 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -7.417 -14.469 -0.586 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.097 -12.772 -1.012 1.00 0.00 O ATOM 0 H ASP A 94 -5.515 -14.542 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.128 -15.523 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.051 -12.697 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.627 -13.093 -2.638 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.498 -14.530 -5.910 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.992 -14.334 -7.269 1.00 0.00 C ATOM 1506 C ASN A 95 -8.701 -12.985 -7.377 1.00 0.00 C ATOM 1507 O ASN A 95 -9.596 -12.787 -8.199 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.912 -15.493 -7.669 1.00 0.00 C ATOM 1509 CG ASN A 95 -9.329 -15.465 -9.128 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.610 -14.957 -9.991 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -10.496 -16.016 -9.412 1.00 0.00 N ATOM 0 H ASN A 95 -6.486 -14.640 -5.852 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.152 -14.325 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.405 -16.436 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.805 -15.469 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.832 -16.031 -10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.061 -16.426 -8.668 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.280 -12.051 -6.538 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.895 -10.739 -6.481 1.00 0.00 C ATOM 1520 C ASN A 96 -7.847 -9.686 -6.151 1.00 0.00 C ATOM 1521 O ASN A 96 -7.235 -9.718 -5.081 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.018 -10.730 -5.438 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.569 -9.341 -5.191 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.110 -8.626 -4.303 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.552 -8.946 -5.978 1.00 0.00 N ATOM 0 H ASN A 96 -7.509 -12.182 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.326 -10.504 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.824 -11.383 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.642 -11.140 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.958 -8.018 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.906 -9.569 -6.704 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.651 -8.757 -7.076 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.606 -7.748 -6.960 1.00 0.00 C ATOM 1534 C ALA A 97 -6.833 -6.822 -5.766 1.00 0.00 C ATOM 1535 O ALA A 97 -5.876 -6.315 -5.182 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.519 -6.940 -8.245 1.00 0.00 C ATOM 0 H ALA A 97 -8.210 -8.681 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.662 -8.267 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.736 -6.188 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.285 -7.604 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.474 -6.448 -8.431 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.093 -6.600 -5.404 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.409 -5.719 -4.282 1.00 0.00 C ATOM 1544 C CYS A 98 -7.907 -6.311 -2.967 1.00 0.00 C ATOM 1545 O CYS A 98 -7.266 -5.618 -2.181 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.913 -5.423 -4.204 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.594 -4.653 -5.713 1.00 0.00 S ATOM 0 H CYS A 98 -8.904 -7.012 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.894 -4.774 -4.453 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.447 -6.353 -4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.100 -4.765 -3.356 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.159 -7.597 -2.742 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.742 -8.237 -1.498 1.00 0.00 C ATOM 1554 C HIS A 99 -6.243 -8.518 -1.532 1.00 0.00 C ATOM 1555 O HIS A 99 -5.588 -8.572 -0.494 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.518 -9.541 -1.262 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.393 -10.081 0.136 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.482 -11.055 0.492 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -9.070 -9.775 1.273 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.603 -11.322 1.779 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.558 -10.560 2.275 1.00 0.00 N ATOM 0 H HIS A 99 -8.644 -8.211 -3.396 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.961 -7.557 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.572 -9.370 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.164 -10.295 -1.965 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.818 -11.500 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.864 -9.049 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.019 -12.043 2.332 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.713 -8.686 -2.736 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.292 -8.968 -2.924 1.00 0.00 C ATOM 1572 C TRP A 100 -3.444 -7.764 -2.517 1.00 0.00 C ATOM 1573 O TRP A 100 -2.575 -7.866 -1.646 1.00 0.00 O ATOM 1574 CB TRP A 100 -4.017 -9.343 -4.385 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.610 -9.791 -4.646 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.653 -10.087 -3.719 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -2.007 -10.013 -5.925 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.493 -10.462 -4.341 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.685 -10.434 -5.696 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.456 -9.896 -7.242 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.192 -10.740 -6.735 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.590 -10.201 -8.272 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.279 -10.619 -8.015 1.00 0.00 C ATOM 0 H TRP A 100 -6.247 -8.632 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.020 -9.809 -2.287 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.701 -10.139 -4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.237 -8.483 -5.018 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.791 -10.033 -2.649 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.374 -10.721 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.465 -9.572 -7.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.204 -11.060 -6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.929 -10.116 -9.294 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.374 -10.851 -8.843 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.712 -6.625 -3.142 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.980 -5.399 -2.853 1.00 0.00 C ATOM 1596 C ALA A 101 -3.193 -4.976 -1.409 1.00 0.00 C ATOM 1597 O ALA A 101 -2.284 -4.461 -0.754 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.422 -4.295 -3.796 1.00 0.00 C ATOM 0 H ALA A 101 -4.434 -6.525 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.916 -5.586 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.869 -3.382 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.225 -4.595 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.489 -4.113 -3.669 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.399 -5.219 -0.916 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.757 -4.867 0.443 1.00 0.00 C ATOM 1606 C PHE A 102 -3.998 -5.737 1.439 1.00 0.00 C ATOM 1607 O PHE A 102 -3.640 -5.284 2.522 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.265 -5.006 0.640 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.759 -4.531 1.979 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.784 -3.178 2.274 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.209 -5.430 2.936 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.247 -2.728 3.497 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.673 -4.986 4.161 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.692 -3.633 4.441 1.00 0.00 C ATOM 0 H PHE A 102 -5.149 -5.663 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.478 -3.828 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.775 -4.445 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.541 -6.053 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.438 -2.466 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.197 -6.488 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.261 -1.670 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.020 -5.696 4.898 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.054 -3.284 5.397 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.734 -6.983 1.052 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.010 -7.915 1.908 1.00 0.00 C ATOM 1626 C ARG A 103 -1.566 -7.463 2.073 1.00 0.00 C ATOM 1627 O ARG A 103 -1.023 -7.483 3.177 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.052 -9.329 1.326 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.401 -10.360 2.229 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.564 -11.777 1.691 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.831 -12.755 2.495 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.102 -14.059 2.508 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.121 -14.538 1.805 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.357 -14.885 3.232 1.00 0.00 N ATOM 0 H ARG A 103 -4.012 -7.369 0.150 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.493 -7.928 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.089 -9.613 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.550 -9.333 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.340 -10.132 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.840 -10.298 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.622 -12.040 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.211 -11.817 0.661 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.067 -12.418 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.700 -13.907 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.325 -15.537 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.577 -14.521 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.565 -15.884 3.242 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.959 -7.041 0.969 1.00 0.00 N ATOM 1649 CA GLY A 104 0.411 -6.562 1.008 1.00 0.00 C ATOM 1650 C GLY A 104 0.559 -5.332 1.882 1.00 0.00 C ATOM 1651 O GLY A 104 1.433 -5.273 2.750 1.00 0.00 O ATOM 0 H GLY A 104 -1.392 -7.022 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.061 -7.353 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.743 -6.329 -0.004 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.317 -4.357 1.664 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.292 -3.110 2.417 1.00 0.00 C ATOM 1657 C PHE A 105 -0.572 -3.364 3.896 1.00 0.00 C ATOM 1658 O PHE A 105 0.142 -2.871 4.766 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.319 -2.134 1.831 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.602 -0.937 2.698 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.904 -0.598 3.038 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.564 -0.150 3.172 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.164 0.501 3.832 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.820 0.949 3.968 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.121 1.276 4.298 1.00 0.00 C ATOM 0 H PHE A 105 -1.059 -4.408 0.966 1.00 0.00 H new ATOM 0 HA PHE A 105 0.702 -2.670 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.962 -1.789 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.252 -2.669 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.724 -1.201 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.455 -0.399 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.182 0.754 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.003 1.553 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.322 2.136 4.919 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.595 -4.165 4.163 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.032 -4.437 5.528 1.00 0.00 C ATOM 1677 C LYS A 106 -0.957 -5.190 6.310 1.00 0.00 C ATOM 1678 O LYS A 106 -0.681 -4.871 7.465 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.358 -5.210 5.508 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.633 -6.033 6.749 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.901 -6.855 6.581 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.181 -7.730 7.790 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.330 -8.642 7.550 1.00 0.00 N ATOM 0 H LYS A 106 -2.142 -4.642 3.446 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.195 -3.488 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.174 -4.500 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.363 -5.872 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.789 -6.694 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.732 -5.375 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.746 -6.187 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.811 -7.482 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.294 -8.316 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.390 -7.101 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.378 -9.348 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.212 -8.092 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.205 -9.126 6.638 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.343 -6.177 5.662 1.00 0.00 N ATOM 1698 CA CYS A 107 0.723 -6.964 6.270 1.00 0.00 C ATOM 1699 C CYS A 107 1.885 -6.070 6.685 1.00 0.00 C ATOM 1700 O CYS A 107 2.442 -6.205 7.779 1.00 0.00 O ATOM 1701 CB CYS A 107 1.205 -8.038 5.280 1.00 0.00 C ATOM 1702 SG CYS A 107 2.764 -8.878 5.745 1.00 0.00 S ATOM 0 H CYS A 107 -0.570 -6.452 4.706 1.00 0.00 H new ATOM 0 HA CYS A 107 0.332 -7.450 7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.423 -8.790 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.337 -7.575 4.302 1.00 0.00 H new ATOM 1707 N PHE A 108 2.228 -5.136 5.810 1.00 0.00 N ATOM 1708 CA PHE A 108 3.389 -4.296 6.012 1.00 0.00 C ATOM 1709 C PHE A 108 3.125 -3.258 7.095 1.00 0.00 C ATOM 1710 O PHE A 108 3.872 -3.170 8.065 1.00 0.00 O ATOM 1711 CB PHE A 108 3.775 -3.618 4.702 1.00 0.00 C ATOM 1712 CG PHE A 108 5.168 -3.057 4.702 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.414 -1.755 5.109 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.238 -3.839 4.293 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.698 -1.246 5.109 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.521 -3.334 4.292 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.752 -2.038 4.700 1.00 0.00 C ATOM 0 H PHE A 108 1.713 -4.944 4.951 1.00 0.00 H new ATOM 0 HA PHE A 108 4.218 -4.922 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.683 -4.338 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.069 -2.814 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.592 -1.132 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.064 -4.855 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.877 -0.230 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.345 -3.954 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.757 -1.642 4.700 1.00 0.00 H new ATOM 1727 N GLN A 109 2.044 -2.498 6.942 1.00 0.00 N ATOM 1728 CA GLN A 109 1.713 -1.427 7.879 1.00 0.00 C ATOM 1729 C GLN A 109 1.473 -1.971 9.284 1.00 0.00 C ATOM 1730 O GLN A 109 1.697 -1.273 10.273 1.00 0.00 O ATOM 1731 CB GLN A 109 0.487 -0.644 7.391 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.814 -1.436 7.380 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.706 -1.117 8.565 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.231 -0.756 9.640 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.006 -1.252 8.380 1.00 0.00 N ATOM 0 H GLN A 109 1.380 -2.604 6.175 1.00 0.00 H new ATOM 0 HA GLN A 109 2.566 -0.750 7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.357 0.233 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.683 -0.281 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.354 -1.226 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.585 -2.502 7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.364 -1.554 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.653 -1.054 9.143 1.00 0.00 H new ATOM 1744 N LYS A 110 1.038 -3.223 9.363 1.00 0.00 N ATOM 1745 CA LYS A 110 0.733 -3.857 10.641 1.00 0.00 C ATOM 1746 C LYS A 110 1.984 -3.887 11.513 1.00 0.00 C ATOM 1747 O LYS A 110 1.924 -3.674 12.725 1.00 0.00 O ATOM 1748 CB LYS A 110 0.214 -5.283 10.400 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.780 -5.791 11.433 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.168 -5.927 12.817 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.193 -6.405 13.830 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.358 -5.485 13.920 1.00 0.00 N ATOM 0 H LYS A 110 0.888 -3.823 8.552 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.039 -3.284 11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.256 -5.321 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.065 -5.963 10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.629 -5.109 11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.167 -6.759 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.665 -6.629 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.238 -4.966 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.538 -7.401 13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.722 -6.491 14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.911 -5.708 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.021 -4.502 13.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.958 -5.601 13.078 1.00 0.00 H new ATOM 1766 N ASN A 111 3.121 -4.110 10.877 1.00 0.00 N ATOM 1767 CA ASN A 111 4.378 -4.242 11.594 1.00 0.00 C ATOM 1768 C ASN A 111 5.250 -3.009 11.394 1.00 0.00 C ATOM 1769 O ASN A 111 6.089 -2.690 12.236 1.00 0.00 O ATOM 1770 CB ASN A 111 5.132 -5.491 11.125 1.00 0.00 C ATOM 1771 CG ASN A 111 4.343 -6.772 11.337 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.440 -7.405 12.386 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.558 -7.169 10.344 1.00 0.00 N ATOM 0 H ASN A 111 3.200 -4.204 9.864 1.00 0.00 H new ATOM 0 HA ASN A 111 4.151 -4.339 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.371 -5.389 10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.079 -5.560 11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.011 -8.025 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.502 -6.619 9.487 1.00 0.00 H new ATOM 1780 N ASN A 112 5.035 -2.307 10.287 1.00 0.00 N ATOM 1781 CA ASN A 112 5.900 -1.200 9.895 1.00 0.00 C ATOM 1782 C ASN A 112 5.098 -0.041 9.313 1.00 0.00 C ATOM 1783 O ASN A 112 5.174 0.235 8.117 1.00 0.00 O ATOM 1784 CB ASN A 112 6.912 -1.678 8.851 1.00 0.00 C ATOM 1785 CG ASN A 112 7.938 -2.639 9.414 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.429 -2.462 10.529 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.245 -3.682 8.663 1.00 0.00 N ATOM 0 H ASN A 112 4.265 -2.486 9.642 1.00 0.00 H new ATOM 0 HA ASN A 112 6.415 -0.850 10.790 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.379 -2.163 8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.425 -0.814 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.911 -4.376 9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.816 -3.793 7.744 1.00 0.00 H new ATOM 1794 N LEU A 113 4.331 0.642 10.150 1.00 0.00 N ATOM 1795 CA LEU A 113 3.555 1.789 9.686 1.00 0.00 C ATOM 1796 C LEU A 113 4.383 3.067 9.778 1.00 0.00 C ATOM 1797 O LEU A 113 4.189 4.009 9.007 1.00 0.00 O ATOM 1798 CB LEU A 113 2.257 1.929 10.486 1.00 0.00 C ATOM 1799 CG LEU A 113 1.414 3.162 10.162 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.909 3.094 8.731 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.254 3.273 11.138 1.00 0.00 C ATOM 0 H LEU A 113 4.228 0.428 11.142 1.00 0.00 H new ATOM 0 HA LEU A 113 3.292 1.622 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.649 1.040 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.505 1.949 11.547 1.00 0.00 H new ATOM 0 HG LEU A 113 2.036 4.052 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.310 3.979 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.757 3.053 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.297 2.201 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.340 4.155 10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.371 2.383 11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.640 3.361 12.154 1.00 0.00 H new ATOM 1813 N SER A 114 5.321 3.081 10.715 1.00 0.00 N ATOM 1814 CA SER A 114 6.193 4.231 10.917 1.00 0.00 C ATOM 1815 C SER A 114 7.027 4.502 9.667 1.00 0.00 C ATOM 1816 O SER A 114 7.221 5.655 9.277 1.00 0.00 O ATOM 1817 CB SER A 114 7.097 3.988 12.126 1.00 0.00 C ATOM 1818 OG SER A 114 6.331 3.610 13.263 1.00 0.00 O ATOM 0 H SER A 114 5.499 2.304 11.351 1.00 0.00 H new ATOM 0 HA SER A 114 5.578 5.110 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.820 3.206 11.893 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.665 4.892 12.349 1.00 0.00 H new ATOM 0 HG SER A 114 6.929 3.458 14.024 1.00 0.00 H new ATOM 1824 N LEU A 115 7.491 3.434 9.022 1.00 0.00 N ATOM 1825 CA LEU A 115 8.274 3.562 7.803 1.00 0.00 C ATOM 1826 C LEU A 115 7.430 4.161 6.687 1.00 0.00 C ATOM 1827 O LEU A 115 7.921 4.931 5.869 1.00 0.00 O ATOM 1828 CB LEU A 115 8.810 2.201 7.367 1.00 0.00 C ATOM 1829 CG LEU A 115 9.706 2.229 6.133 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.933 3.078 6.403 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.103 0.820 5.724 1.00 0.00 C ATOM 0 H LEU A 115 7.337 2.473 9.326 1.00 0.00 H new ATOM 0 HA LEU A 115 9.114 4.226 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.370 1.765 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.966 1.540 7.170 1.00 0.00 H new ATOM 0 HG LEU A 115 9.150 2.673 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.567 3.093 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.625 4.095 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.489 2.657 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.742 0.864 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.644 0.343 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.208 0.242 5.495 1.00 0.00 H new ATOM 1843 N ILE A 116 6.153 3.811 6.679 1.00 0.00 N ATOM 1844 CA ILE A 116 5.230 4.289 5.662 1.00 0.00 C ATOM 1845 C ILE A 116 5.021 5.797 5.801 1.00 0.00 C ATOM 1846 O ILE A 116 4.973 6.526 4.809 1.00 0.00 O ATOM 1847 CB ILE A 116 3.878 3.547 5.766 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.094 2.039 5.593 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.889 4.067 4.733 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.818 1.234 5.625 1.00 0.00 C ATOM 0 H ILE A 116 5.730 3.193 7.371 1.00 0.00 H new ATOM 0 HA ILE A 116 5.661 4.086 4.682 1.00 0.00 H new ATOM 0 HB ILE A 116 3.457 3.733 6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.602 1.860 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.757 1.683 6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.946 3.528 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.717 5.131 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.294 3.915 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.051 0.177 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.319 1.382 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.161 1.561 4.819 1.00 0.00 H new ATOM 1862 N LYS A 117 4.929 6.253 7.043 1.00 0.00 N ATOM 1863 CA LYS A 117 4.779 7.671 7.340 1.00 0.00 C ATOM 1864 C LYS A 117 6.024 8.456 6.927 1.00 0.00 C ATOM 1865 O LYS A 117 5.923 9.546 6.360 1.00 0.00 O ATOM 1866 CB LYS A 117 4.506 7.861 8.831 1.00 0.00 C ATOM 1867 CG LYS A 117 3.105 7.434 9.251 1.00 0.00 C ATOM 1868 CD LYS A 117 2.936 7.468 10.764 1.00 0.00 C ATOM 1869 CE LYS A 117 1.490 7.247 11.180 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.618 8.381 10.779 1.00 0.00 N ATOM 0 H LYS A 117 4.956 5.654 7.868 1.00 0.00 H new ATOM 0 HA LYS A 117 3.935 8.054 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.238 7.290 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.650 8.910 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.370 8.092 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.907 6.427 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.565 6.701 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.280 8.429 11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.119 6.327 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.439 7.115 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.006 8.636 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.207 9.199 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.041 8.102 9.960 1.00 0.00 H new ATOM 1884 N ALA A 118 7.191 7.892 7.215 1.00 0.00 N ATOM 1885 CA ALA A 118 8.463 8.517 6.866 1.00 0.00 C ATOM 1886 C ALA A 118 8.714 8.465 5.362 1.00 0.00 C ATOM 1887 O ALA A 118 9.363 9.346 4.793 1.00 0.00 O ATOM 1888 CB ALA A 118 9.586 7.821 7.606 1.00 0.00 C ATOM 0 H ALA A 118 7.283 6.996 7.693 1.00 0.00 H new ATOM 0 HA ALA A 118 8.424 9.566 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.537 8.287 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.422 7.906 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.609 6.768 7.325 1.00 0.00 H new ATOM 1894 N SER A 119 8.205 7.415 4.735 1.00 0.00 N ATOM 1895 CA SER A 119 8.336 7.220 3.297 1.00 0.00 C ATOM 1896 C SER A 119 7.741 8.390 2.517 1.00 0.00 C ATOM 1897 O SER A 119 8.365 8.915 1.592 1.00 0.00 O ATOM 1898 CB SER A 119 7.645 5.915 2.890 1.00 0.00 C ATOM 1899 OG SER A 119 7.777 5.673 1.504 1.00 0.00 O ATOM 0 H SER A 119 7.689 6.673 5.208 1.00 0.00 H new ATOM 0 HA SER A 119 9.398 7.165 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.075 5.084 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.588 5.963 3.154 1.00 0.00 H new ATOM 0 HG SER A 119 8.722 5.730 1.250 1.00 0.00 H new ATOM 1905 N ILE A 120 6.540 8.800 2.901 1.00 0.00 N ATOM 1906 CA ILE A 120 5.833 9.860 2.196 1.00 0.00 C ATOM 1907 C ILE A 120 6.145 11.230 2.788 1.00 0.00 C ATOM 1908 O ILE A 120 5.647 12.254 2.316 1.00 0.00 O ATOM 1909 CB ILE A 120 4.309 9.629 2.226 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.819 9.480 3.663 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.949 8.399 1.414 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.317 9.548 3.797 1.00 0.00 C ATOM 0 H ILE A 120 6.034 8.414 3.698 1.00 0.00 H new ATOM 0 HA ILE A 120 6.179 9.836 1.163 1.00 0.00 H new ATOM 0 HB ILE A 120 3.818 10.496 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.169 8.527 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.266 10.264 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.870 8.247 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.268 8.539 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.450 7.527 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.040 9.435 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.962 10.511 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.863 8.747 3.213 1.00 0.00 H new ATOM 1924 N LYS A 121 6.971 11.251 3.822 1.00 0.00 N ATOM 1925 CA LYS A 121 7.338 12.495 4.470 1.00 0.00 C ATOM 1926 C LYS A 121 8.378 13.239 3.641 1.00 0.00 C ATOM 1927 O LYS A 121 9.469 12.729 3.392 1.00 0.00 O ATOM 1928 CB LYS A 121 7.877 12.221 5.870 1.00 0.00 C ATOM 1929 CG LYS A 121 8.186 13.483 6.657 1.00 0.00 C ATOM 1930 CD LYS A 121 8.809 13.164 8.004 1.00 0.00 C ATOM 1931 CE LYS A 121 9.113 14.431 8.788 1.00 0.00 C ATOM 1932 NZ LYS A 121 9.998 15.355 8.033 1.00 0.00 N ATOM 0 H LYS A 121 7.399 10.419 4.229 1.00 0.00 H new ATOM 0 HA LYS A 121 6.448 13.119 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.148 11.627 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.783 11.620 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.864 14.114 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.269 14.053 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.132 12.532 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.728 12.596 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.180 14.940 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.587 14.167 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.371 16.082 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.788 14.819 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.455 15.812 7.273 1.00 0.00 H new ATOM 1946 N LYS A 122 8.026 14.441 3.213 1.00 0.00 N ATOM 1947 CA LYS A 122 8.932 15.264 2.425 1.00 0.00 C ATOM 1948 C LYS A 122 9.972 15.917 3.320 1.00 0.00 C ATOM 1949 O LYS A 122 9.642 16.455 4.379 1.00 0.00 O ATOM 1950 CB LYS A 122 8.171 16.336 1.626 1.00 0.00 C ATOM 1951 CG LYS A 122 6.691 16.473 1.983 1.00 0.00 C ATOM 1952 CD LYS A 122 6.489 17.135 3.342 1.00 0.00 C ATOM 1953 CE LYS A 122 6.882 18.606 3.323 1.00 0.00 C ATOM 1954 NZ LYS A 122 5.933 19.435 2.528 1.00 0.00 N ATOM 0 H LYS A 122 7.119 14.869 3.398 1.00 0.00 H new ATOM 0 HA LYS A 122 9.436 14.610 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.658 17.299 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.254 16.104 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.186 17.060 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.227 15.487 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.444 17.043 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.081 16.611 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.921 18.982 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.885 18.706 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.466 20.036 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.294 18.814 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.375 20.035 3.169 1.00 0.00 H new ATOM 1968 N ASP A 123 11.226 15.847 2.903 1.00 0.00 N ATOM 1969 CA ASP A 123 12.312 16.472 3.649 1.00 0.00 C ATOM 1970 C ASP A 123 12.175 17.987 3.609 1.00 0.00 C ATOM 1971 O ASP A 123 11.960 18.597 4.677 1.00 0.00 O ATOM 1972 CB ASP A 123 13.673 16.058 3.089 1.00 0.00 C ATOM 1973 CG ASP A 123 14.826 16.640 3.886 1.00 0.00 C ATOM 1974 OD1 ASP A 123 15.292 17.752 3.554 1.00 0.00 O ATOM 1975 OD2 ASP A 123 15.279 15.985 4.849 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.258 18.562 2.503 1.00 0.00 O ATOM 0 H ASP A 123 11.519 15.365 2.053 1.00 0.00 H new ATOM 0 HA ASP A 123 12.249 16.133 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.747 14.971 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.751 16.384 2.052 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.556 6.523 2.206 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.927 5.226 1.760 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.711 5.535 0.899 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.954 4.267 0.517 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.307 3.683 1.740 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.107 4.082 2.084 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.551 5.198 1.313 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.813 5.648 1.997 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.973 5.179 1.611 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.054 4.242 0.441 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.447 3.683 0.334 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.628 2.400 0.163 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.450 1.489 -0.034 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.968 1.015 1.309 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.905 -0.263 1.567 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.421 -1.255 0.558 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.538 -2.630 1.199 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.781 -3.707 0.144 1.00 0.00 C HETATM 2000 C19 ACD A 201 3.991 -5.069 0.801 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.101 -6.172 -0.245 1.00 0.00 C HETATM 2002 O1 ACD A 201 -3.944 7.590 1.989 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.656 6.485 2.786 1.00 0.00 O HETATM 0 H203 ACD A 201 3.185 -6.207 -0.834 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.947 -5.968 -0.901 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.250 -7.131 0.252 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.896 -5.048 1.408 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.161 -5.283 1.474 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.932 -3.754 -0.537 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.655 -3.447 -0.453 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.356 -2.631 1.920 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.626 -2.856 1.752 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.748 -1.299 -0.299 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.393 -0.934 0.184 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.651 2.015 -0.557 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.731 0.638 -0.655 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.335 3.432 0.561 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.791 4.768 -0.477 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.881 5.469 2.140 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.762 6.366 2.816 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.780 4.862 0.302 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.138 6.038 1.221 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.411 3.611 2.920 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.830 2.935 2.336 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.637 3.543 0.073 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.198 4.494 -0.234 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.028 6.056 -0.005 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.045 6.208 1.438 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.634 4.632 2.626 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.647 4.633 1.196 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.481 -0.611 2.509 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.671 1.739 2.068 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.638 1.989 0.163 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.307 4.350 0.399 1.00 0.00 H new