USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD NoAdj-H: A 105 HEC H2A : A 105 HEC O2A : A 105 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -125:sc= 1.25 USER MOD Set 1.2: A 78 THR OG1 : rot 81:sc= 1.97 USER MOD Set 2.1: A 40 THR OG1 : rot 176:sc= 2.16 USER MOD Set 2.2: A 48 TYR OH : rot -124:sc= 1.49 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.437 X(o=-0.57,f=-0.9) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.135 X(o=-0.57,f=-0.51) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.763 (180deg=-0.671) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0143 (180deg=-0.189) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 0.856 (180deg=-0.517!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 0.514 (180deg=-0.355!) USER MOD Single : A 16 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.45) USER MOD Single : A 19 THR OG1 : rot -53:sc= 1.37 USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.0204 (180deg=-0.517) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.788 (180deg=-1.51!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.19) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.23) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 47 THR OG1 : rot 96:sc= 0.806 USER MOD Single : A 49 THR OG1 : rot -66:sc= 0.951 USER MOD Single : A 52 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.88) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.19) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.228) USER MOD Single : A 63 THR OG1 : rot -168:sc= 0.918 USER MOD Single : A 65 MET CE :methyl -160:sc= -0.0623 (180deg=-0.524) USER MOD Single : A 70 ASN : amide:sc= 1.1 K(o=1.1,f=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.19) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0461) USER MOD Single : A 74 TYR OH : rot -8:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.289 (180deg=-0.289) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= 0.0774 (180deg=0.000463) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 97 TYR OH : rot -164:sc= 0.71 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.16) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.18) USER MOD Single : A 102 THR OG1 : rot -28:sc= 1.59 USER MOD Single : A 103 ASN : amide:sc= 0.444 K(o=0.44,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.017 10.105 4.849 1.00 0.00 N ATOM 2 CA GLY A 1 -9.856 10.043 3.949 1.00 0.00 C ATOM 3 C GLY A 1 -9.174 11.411 3.889 1.00 0.00 C ATOM 4 O GLY A 1 -9.198 12.099 2.876 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.772 9.489 4.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.738 9.786 5.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.364 11.084 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.151 9.290 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.173 9.740 2.951 1.00 0.00 H new ATOM 10 N ASP A 2 -8.640 11.810 5.044 1.00 0.00 N ATOM 11 CA ASP A 2 -8.310 13.179 5.443 1.00 0.00 C ATOM 12 C ASP A 2 -6.937 13.668 4.955 1.00 0.00 C ATOM 13 O ASP A 2 -6.618 14.847 5.067 1.00 0.00 O ATOM 14 CB ASP A 2 -8.378 13.174 6.970 1.00 0.00 C ATOM 15 CG ASP A 2 -7.827 14.427 7.625 1.00 0.00 C ATOM 16 OD1 ASP A 2 -8.619 15.369 7.822 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.623 14.377 7.958 1.00 0.00 O ATOM 0 H ASP A 2 -8.411 11.138 5.777 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.011 13.876 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.417 13.046 7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.827 12.311 7.343 1.00 0.00 H new ATOM 22 N VAL A 3 -6.117 12.758 4.424 1.00 0.00 N ATOM 23 CA VAL A 3 -4.770 12.957 3.915 1.00 0.00 C ATOM 24 C VAL A 3 -3.787 13.136 5.066 1.00 0.00 C ATOM 25 O VAL A 3 -2.864 12.331 5.207 1.00 0.00 O ATOM 26 CB VAL A 3 -4.718 14.078 2.865 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.294 14.357 2.366 1.00 0.00 C ATOM 28 CG2 VAL A 3 -5.625 13.793 1.663 1.00 0.00 C ATOM 0 H VAL A 3 -6.408 11.785 4.335 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.457 12.060 3.381 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.084 14.966 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.318 15.157 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.667 14.657 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.885 13.455 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.553 14.614 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.311 12.866 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.657 13.695 2.001 1.00 0.00 H new ATOM 38 N GLU A 4 -3.999 14.143 5.914 1.00 0.00 N ATOM 39 CA GLU A 4 -3.162 14.315 7.087 1.00 0.00 C ATOM 40 C GLU A 4 -3.298 13.094 7.994 1.00 0.00 C ATOM 41 O GLU A 4 -2.299 12.452 8.333 1.00 0.00 O ATOM 42 CB GLU A 4 -3.476 15.628 7.819 1.00 0.00 C ATOM 43 CG GLU A 4 -2.971 16.858 7.047 1.00 0.00 C ATOM 44 CD GLU A 4 -1.460 16.840 6.860 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.730 16.584 7.840 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.994 16.975 5.707 1.00 0.00 O ATOM 0 H GLU A 4 -4.735 14.841 5.807 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.121 14.390 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.553 15.711 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.019 15.609 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.456 16.896 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.258 17.763 7.582 1.00 0.00 H new ATOM 53 N LYS A 5 -4.535 12.723 8.335 1.00 0.00 N ATOM 54 CA LYS A 5 -4.736 11.505 9.103 1.00 0.00 C ATOM 55 C LYS A 5 -4.272 10.308 8.294 1.00 0.00 C ATOM 56 O LYS A 5 -3.728 9.388 8.880 1.00 0.00 O ATOM 57 CB LYS A 5 -6.167 11.297 9.601 1.00 0.00 C ATOM 58 CG LYS A 5 -6.574 12.356 10.625 1.00 0.00 C ATOM 59 CD LYS A 5 -7.983 12.048 11.154 1.00 0.00 C ATOM 60 CE LYS A 5 -8.209 12.635 12.552 1.00 0.00 C ATOM 61 NZ LYS A 5 -7.418 11.930 13.584 1.00 0.00 N ATOM 0 H LYS A 5 -5.385 13.235 8.098 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.133 11.612 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.854 11.327 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.255 10.307 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.861 12.372 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.555 13.345 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.726 12.452 10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.131 10.969 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.941 13.692 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.268 12.575 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.812 12.136 14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.455 10.905 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.430 12.252 13.544 1.00 0.00 H new ATOM 75 N GLY A 6 -4.432 10.308 6.970 1.00 0.00 N ATOM 76 CA GLY A 6 -3.917 9.222 6.152 1.00 0.00 C ATOM 77 C GLY A 6 -2.448 8.968 6.450 1.00 0.00 C ATOM 78 O GLY A 6 -2.087 7.870 6.866 1.00 0.00 O ATOM 0 H GLY A 6 -4.911 11.043 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.492 8.315 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.041 9.466 5.097 1.00 0.00 H new ATOM 82 N LYS A 7 -1.596 9.978 6.273 1.00 0.00 N ATOM 83 CA LYS A 7 -0.164 9.774 6.426 1.00 0.00 C ATOM 84 C LYS A 7 0.185 9.341 7.847 1.00 0.00 C ATOM 85 O LYS A 7 1.064 8.507 8.062 1.00 0.00 O ATOM 86 CB LYS A 7 0.628 10.977 5.880 1.00 0.00 C ATOM 87 CG LYS A 7 1.184 11.871 6.984 1.00 0.00 C ATOM 88 CD LYS A 7 1.790 13.175 6.445 1.00 0.00 C ATOM 89 CE LYS A 7 0.704 14.255 6.344 1.00 0.00 C ATOM 90 NZ LYS A 7 1.247 15.596 6.045 1.00 0.00 N ATOM 0 H LYS A 7 -1.871 10.929 6.028 1.00 0.00 H new ATOM 0 HA LYS A 7 0.154 8.936 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.451 10.615 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.019 11.568 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.387 12.110 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.946 11.324 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.591 13.513 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.234 13.002 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.007 13.976 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.151 14.294 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.510 16.177 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.557 16.050 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.057 15.506 5.399 1.00 0.00 H new ATOM 104 N LYS A 8 -0.525 9.906 8.821 1.00 0.00 N ATOM 105 CA LYS A 8 -0.211 9.722 10.222 1.00 0.00 C ATOM 106 C LYS A 8 -0.587 8.303 10.639 1.00 0.00 C ATOM 107 O LYS A 8 0.205 7.607 11.271 1.00 0.00 O ATOM 108 CB LYS A 8 -0.937 10.805 11.034 1.00 0.00 C ATOM 109 CG LYS A 8 -0.582 10.852 12.529 1.00 0.00 C ATOM 110 CD LYS A 8 0.639 11.722 12.877 1.00 0.00 C ATOM 111 CE LYS A 8 1.977 11.131 12.405 1.00 0.00 C ATOM 112 NZ LYS A 8 3.137 11.769 13.065 1.00 0.00 N ATOM 0 H LYS A 8 -1.334 10.504 8.653 1.00 0.00 H new ATOM 0 HA LYS A 8 0.857 9.833 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.714 11.777 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.012 10.650 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.445 11.225 13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.396 9.835 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.510 12.708 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.676 11.864 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.990 10.060 12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.064 11.252 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.016 11.338 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.142 12.787 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.070 11.632 14.094 1.00 0.00 H new ATOM 126 N ILE A 9 -1.796 7.881 10.274 1.00 0.00 N ATOM 127 CA ILE A 9 -2.370 6.604 10.632 1.00 0.00 C ATOM 128 C ILE A 9 -1.617 5.521 9.865 1.00 0.00 C ATOM 129 O ILE A 9 -1.281 4.482 10.436 1.00 0.00 O ATOM 130 CB ILE A 9 -3.868 6.655 10.306 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.590 7.610 11.278 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.507 5.273 10.405 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.095 7.704 11.008 1.00 0.00 C ATOM 0 H ILE A 9 -2.419 8.448 9.699 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.275 6.376 11.694 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.969 7.016 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.429 7.270 12.301 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.148 8.603 11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.568 5.345 10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.023 4.597 9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.387 4.888 11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.551 8.390 11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.261 8.072 9.995 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.546 6.717 11.114 1.00 0.00 H new ATOM 145 N PHE A 10 -1.336 5.782 8.583 1.00 0.00 N ATOM 146 CA PHE A 10 -0.458 4.956 7.776 1.00 0.00 C ATOM 147 C PHE A 10 0.815 4.694 8.564 1.00 0.00 C ATOM 148 O PHE A 10 1.057 3.571 8.986 1.00 0.00 O ATOM 149 CB PHE A 10 -0.160 5.652 6.434 1.00 0.00 C ATOM 150 CG PHE A 10 1.001 5.080 5.653 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.826 3.950 4.847 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.295 5.576 5.868 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.947 3.292 4.319 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.417 4.873 5.428 1.00 0.00 C ATOM 155 CZ PHE A 10 3.242 3.736 4.628 1.00 0.00 C ATOM 0 H PHE A 10 -1.720 6.582 8.081 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.936 4.003 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.054 5.603 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.037 6.707 6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.168 3.586 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.425 6.517 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.813 2.439 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.409 5.201 5.701 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.102 3.203 4.250 1.00 0.00 H new ATOM 165 N VAL A 11 1.608 5.733 8.822 1.00 0.00 N ATOM 166 CA VAL A 11 2.865 5.582 9.519 1.00 0.00 C ATOM 167 C VAL A 11 2.657 4.806 10.830 1.00 0.00 C ATOM 168 O VAL A 11 3.456 3.932 11.156 1.00 0.00 O ATOM 169 CB VAL A 11 3.536 6.960 9.692 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.520 6.964 10.860 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.275 7.449 8.437 1.00 0.00 C ATOM 0 H VAL A 11 1.391 6.692 8.552 1.00 0.00 H new ATOM 0 HA VAL A 11 3.559 4.981 8.931 1.00 0.00 H new ATOM 0 HB VAL A 11 2.711 7.644 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.973 7.951 10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.992 6.721 11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.299 6.223 10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.721 8.424 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.058 6.738 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.570 7.533 7.610 1.00 0.00 H new ATOM 181 N GLN A 12 1.567 5.087 11.551 1.00 0.00 N ATOM 182 CA GLN A 12 1.215 4.385 12.777 1.00 0.00 C ATOM 183 C GLN A 12 1.203 2.859 12.597 1.00 0.00 C ATOM 184 O GLN A 12 1.712 2.170 13.478 1.00 0.00 O ATOM 185 CB GLN A 12 -0.119 4.923 13.337 1.00 0.00 C ATOM 186 CG GLN A 12 -0.066 5.346 14.815 1.00 0.00 C ATOM 187 CD GLN A 12 -0.646 4.288 15.748 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.046 3.246 15.973 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.824 4.549 16.311 1.00 0.00 N ATOM 0 H GLN A 12 0.902 5.816 11.293 1.00 0.00 H new ATOM 0 HA GLN A 12 1.993 4.585 13.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.431 5.779 12.738 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.884 4.155 13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.968 5.545 15.095 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.616 6.278 14.942 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.304 5.426 16.107 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.247 3.872 16.947 1.00 0.00 H new ATOM 198 N LYS A 13 0.627 2.320 11.507 1.00 0.00 N ATOM 199 CA LYS A 13 0.468 0.866 11.364 1.00 0.00 C ATOM 200 C LYS A 13 1.030 0.237 10.084 1.00 0.00 C ATOM 201 O LYS A 13 0.833 -0.958 9.858 1.00 0.00 O ATOM 202 CB LYS A 13 -0.991 0.484 11.587 1.00 0.00 C ATOM 203 CG LYS A 13 -1.905 1.082 10.522 1.00 0.00 C ATOM 204 CD LYS A 13 -2.989 1.911 11.202 1.00 0.00 C ATOM 205 CE LYS A 13 -3.998 1.034 11.960 1.00 0.00 C ATOM 206 NZ LYS A 13 -5.122 1.823 12.500 1.00 0.00 N ATOM 0 H LYS A 13 0.269 2.864 10.722 1.00 0.00 H new ATOM 0 HA LYS A 13 1.101 0.435 12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.087 -0.602 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.309 0.826 12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.328 1.705 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.357 0.289 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.526 2.613 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.515 2.503 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.384 0.265 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.490 0.521 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.354 1.487 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.853 2.827 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.952 1.712 11.883 1.00 0.00 H new ATOM 220 N CYS A 14 1.708 1.012 9.240 1.00 0.00 N ATOM 221 CA CYS A 14 2.154 0.583 7.922 1.00 0.00 C ATOM 222 C CYS A 14 3.664 0.777 7.825 1.00 0.00 C ATOM 223 O CYS A 14 4.365 -0.117 7.366 1.00 0.00 O ATOM 224 CB CYS A 14 1.472 1.364 6.824 1.00 0.00 C ATOM 225 SG CYS A 14 -0.348 1.443 6.872 1.00 0.00 S ATOM 0 H CYS A 14 1.966 1.974 9.460 1.00 0.00 H new ATOM 0 HA CYS A 14 1.894 -0.468 7.794 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.856 2.384 6.845 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.767 0.932 5.868 1.00 0.00 H new ATOM 230 N ALA A 15 4.180 1.933 8.264 1.00 0.00 N ATOM 231 CA ALA A 15 5.590 2.303 8.130 1.00 0.00 C ATOM 232 C ALA A 15 6.563 1.297 8.723 1.00 0.00 C ATOM 233 O ALA A 15 7.667 1.149 8.207 1.00 0.00 O ATOM 234 CB ALA A 15 5.853 3.669 8.736 1.00 0.00 C ATOM 0 H ALA A 15 3.618 2.646 8.729 1.00 0.00 H new ATOM 0 HA ALA A 15 5.773 2.320 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.908 3.920 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.245 4.416 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.595 3.653 9.795 1.00 0.00 H new ATOM 240 N GLN A 16 6.159 0.611 9.795 1.00 0.00 N ATOM 241 CA GLN A 16 6.899 -0.507 10.358 1.00 0.00 C ATOM 242 C GLN A 16 7.410 -1.454 9.262 1.00 0.00 C ATOM 243 O GLN A 16 8.515 -1.982 9.363 1.00 0.00 O ATOM 244 CB GLN A 16 6.011 -1.212 11.392 1.00 0.00 C ATOM 245 CG GLN A 16 4.706 -1.786 10.813 1.00 0.00 C ATOM 246 CD GLN A 16 3.799 -2.346 11.906 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.654 -1.756 12.970 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.176 -3.494 11.659 1.00 0.00 N ATOM 0 H GLN A 16 5.298 0.824 10.298 1.00 0.00 H new ATOM 0 HA GLN A 16 7.793 -0.143 10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.579 -2.021 11.851 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.764 -0.506 12.185 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.177 -1.006 10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.941 -2.574 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.313 -3.966 10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.561 -3.902 12.363 1.00 0.00 H new ATOM 257 N CYS A 17 6.602 -1.639 8.213 1.00 0.00 N ATOM 258 CA CYS A 17 6.928 -2.403 7.026 1.00 0.00 C ATOM 259 C CYS A 17 7.268 -1.496 5.826 1.00 0.00 C ATOM 260 O CYS A 17 8.086 -1.895 5.007 1.00 0.00 O ATOM 261 CB CYS A 17 5.788 -3.340 6.711 1.00 0.00 C ATOM 262 SG CYS A 17 5.573 -4.620 7.994 1.00 0.00 S ATOM 0 H CYS A 17 5.664 -1.239 8.176 1.00 0.00 H new ATOM 0 HA CYS A 17 7.826 -2.988 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.866 -2.767 6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.969 -3.819 5.749 1.00 0.00 H new ATOM 267 N HIS A 18 6.661 -0.305 5.691 1.00 0.00 N ATOM 268 CA HIS A 18 6.688 0.511 4.472 1.00 0.00 C ATOM 269 C HIS A 18 7.191 1.932 4.728 1.00 0.00 C ATOM 270 O HIS A 18 6.385 2.842 4.908 1.00 0.00 O ATOM 271 CB HIS A 18 5.258 0.631 3.934 1.00 0.00 C ATOM 272 CG HIS A 18 4.723 -0.621 3.325 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.895 -0.969 2.010 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.720 -1.391 3.845 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.021 -1.946 1.750 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.311 -2.276 2.834 1.00 0.00 N ATOM 0 H HIS A 18 6.126 0.124 6.446 1.00 0.00 H new ATOM 0 HA HIS A 18 7.363 0.021 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.600 0.934 4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.229 1.425 3.188 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.562 -0.560 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.318 -1.330 4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.903 -2.412 0.783 1.00 0.00 H new ATOM 284 N THR A 19 8.495 2.196 4.684 1.00 0.00 N ATOM 285 CA THR A 19 8.990 3.503 5.109 1.00 0.00 C ATOM 286 C THR A 19 8.864 4.612 4.038 1.00 0.00 C ATOM 287 O THR A 19 9.781 5.416 3.868 1.00 0.00 O ATOM 288 CB THR A 19 10.409 3.351 5.672 1.00 0.00 C ATOM 289 OG1 THR A 19 11.352 3.021 4.669 1.00 0.00 O ATOM 290 CG2 THR A 19 10.485 2.299 6.784 1.00 0.00 C ATOM 0 H THR A 19 9.211 1.542 4.367 1.00 0.00 H new ATOM 0 HA THR A 19 8.338 3.861 5.906 1.00 0.00 H new ATOM 0 HB THR A 19 10.658 4.327 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.044 2.232 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.510 2.229 7.149 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.827 2.587 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.173 1.331 6.391 1.00 0.00 H new ATOM 298 N VAL A 20 7.723 4.702 3.338 1.00 0.00 N ATOM 299 CA VAL A 20 7.445 5.680 2.295 1.00 0.00 C ATOM 300 C VAL A 20 7.193 7.075 2.896 1.00 0.00 C ATOM 301 O VAL A 20 6.078 7.599 2.859 1.00 0.00 O ATOM 302 CB VAL A 20 6.308 5.157 1.407 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.931 5.196 2.074 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.292 5.917 0.078 1.00 0.00 C ATOM 0 H VAL A 20 6.942 4.066 3.496 1.00 0.00 H new ATOM 0 HA VAL A 20 8.315 5.810 1.652 1.00 0.00 H new ATOM 0 HB VAL A 20 6.515 4.102 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.181 4.811 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.945 4.581 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.685 6.224 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.482 5.540 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.139 6.979 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.243 5.773 -0.435 1.00 0.00 H new ATOM 314 N GLU A 21 8.231 7.660 3.494 1.00 0.00 N ATOM 315 CA GLU A 21 8.158 8.956 4.157 1.00 0.00 C ATOM 316 C GLU A 21 9.584 9.467 4.386 1.00 0.00 C ATOM 317 O GLU A 21 9.943 10.560 3.956 1.00 0.00 O ATOM 318 CB GLU A 21 7.338 8.822 5.459 1.00 0.00 C ATOM 319 CG GLU A 21 6.766 10.153 5.976 1.00 0.00 C ATOM 320 CD GLU A 21 7.701 10.936 6.890 1.00 0.00 C ATOM 321 OE1 GLU A 21 8.767 10.385 7.239 1.00 0.00 O ATOM 322 OE2 GLU A 21 7.297 12.055 7.275 1.00 0.00 O ATOM 0 H GLU A 21 9.159 7.238 3.530 1.00 0.00 H new ATOM 0 HA GLU A 21 7.642 9.692 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.516 8.126 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.971 8.385 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.508 10.778 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.840 9.950 6.514 1.00 0.00 H new ATOM 329 N LYS A 22 10.420 8.634 5.014 1.00 0.00 N ATOM 330 CA LYS A 22 11.830 8.936 5.205 1.00 0.00 C ATOM 331 C LYS A 22 12.621 8.514 3.959 1.00 0.00 C ATOM 332 O LYS A 22 12.033 8.102 2.963 1.00 0.00 O ATOM 333 CB LYS A 22 12.329 8.298 6.515 1.00 0.00 C ATOM 334 CG LYS A 22 11.378 8.694 7.657 1.00 0.00 C ATOM 335 CD LYS A 22 11.952 8.651 9.081 1.00 0.00 C ATOM 336 CE LYS A 22 12.441 7.271 9.539 1.00 0.00 C ATOM 337 NZ LYS A 22 13.793 6.963 9.035 1.00 0.00 N ATOM 0 H LYS A 22 10.133 7.735 5.401 1.00 0.00 H new ATOM 0 HA LYS A 22 11.986 10.009 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.367 7.213 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.342 8.633 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.019 9.705 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.510 8.036 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.783 9.354 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.187 8.998 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.443 7.231 10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.744 6.507 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.237 6.249 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.726 6.595 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.370 7.828 9.038 1.00 0.00 H new ATOM 351 N GLY A 23 13.957 8.609 4.029 1.00 0.00 N ATOM 352 CA GLY A 23 14.893 8.430 2.918 1.00 0.00 C ATOM 353 C GLY A 23 14.545 7.313 1.927 1.00 0.00 C ATOM 354 O GLY A 23 14.771 7.471 0.731 1.00 0.00 O ATOM 0 H GLY A 23 14.433 8.823 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.960 9.369 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.882 8.230 3.330 1.00 0.00 H new ATOM 358 N GLY A 24 14.021 6.187 2.422 1.00 0.00 N ATOM 359 CA GLY A 24 13.470 5.125 1.596 1.00 0.00 C ATOM 360 C GLY A 24 14.094 3.787 1.960 1.00 0.00 C ATOM 361 O GLY A 24 15.284 3.570 1.741 1.00 0.00 O ATOM 0 H GLY A 24 13.970 5.992 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.389 5.077 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.652 5.343 0.544 1.00 0.00 H new ATOM 365 N LYS A 25 13.291 2.884 2.522 1.00 0.00 N ATOM 366 CA LYS A 25 13.671 1.504 2.765 1.00 0.00 C ATOM 367 C LYS A 25 12.444 0.615 2.567 1.00 0.00 C ATOM 368 O LYS A 25 11.320 1.047 2.829 1.00 0.00 O ATOM 369 CB LYS A 25 14.260 1.346 4.183 1.00 0.00 C ATOM 370 CG LYS A 25 15.579 0.556 4.197 1.00 0.00 C ATOM 371 CD LYS A 25 16.810 1.468 4.056 1.00 0.00 C ATOM 372 CE LYS A 25 17.328 1.914 5.435 1.00 0.00 C ATOM 373 NZ LYS A 25 18.435 2.889 5.329 1.00 0.00 N ATOM 0 H LYS A 25 12.341 3.101 2.825 1.00 0.00 H new ATOM 0 HA LYS A 25 14.446 1.202 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.429 2.333 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.533 0.841 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.652 -0.007 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.573 -0.170 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.599 0.940 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.552 2.343 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.510 2.357 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.667 1.041 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.751 3.160 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.228 2.459 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.106 3.734 4.820 1.00 0.00 H new ATOM 387 N HIS A 26 12.678 -0.616 2.102 1.00 0.00 N ATOM 388 CA HIS A 26 11.635 -1.604 1.873 1.00 0.00 C ATOM 389 C HIS A 26 11.543 -2.486 3.126 1.00 0.00 C ATOM 390 O HIS A 26 10.667 -2.320 3.963 1.00 0.00 O ATOM 391 CB HIS A 26 11.928 -2.405 0.590 1.00 0.00 C ATOM 392 CG HIS A 26 12.196 -1.575 -0.648 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.322 -0.815 -0.886 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.515 -1.656 -1.834 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.302 -0.440 -2.176 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.228 -0.946 -2.798 1.00 0.00 N ATOM 0 H HIS A 26 13.613 -0.953 1.873 1.00 0.00 H new ATOM 0 HA HIS A 26 10.667 -1.129 1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.791 -3.045 0.771 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.081 -3.061 0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.585 -2.180 -1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.048 0.183 -2.647 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.982 -0.834 -3.781 1.00 0.00 H new ATOM 404 N LYS A 27 12.511 -3.391 3.304 1.00 0.00 N ATOM 405 CA LYS A 27 12.674 -4.216 4.497 1.00 0.00 C ATOM 406 C LYS A 27 11.589 -5.288 4.618 1.00 0.00 C ATOM 407 O LYS A 27 11.906 -6.466 4.464 1.00 0.00 O ATOM 408 CB LYS A 27 12.825 -3.342 5.759 1.00 0.00 C ATOM 409 CG LYS A 27 13.607 -4.026 6.897 1.00 0.00 C ATOM 410 CD LYS A 27 14.829 -3.207 7.352 1.00 0.00 C ATOM 411 CE LYS A 27 16.104 -3.410 6.514 1.00 0.00 C ATOM 412 NZ LYS A 27 15.857 -3.424 5.060 1.00 0.00 N ATOM 0 H LYS A 27 13.223 -3.572 2.597 1.00 0.00 H new ATOM 0 HA LYS A 27 13.606 -4.772 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.330 -2.415 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.834 -3.071 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.942 -4.182 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.937 -5.010 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.565 -2.150 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.051 -3.461 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.812 -2.615 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.574 -4.350 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.747 -3.241 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.485 -4.354 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.164 -2.687 4.818 1.00 0.00 H new ATOM 426 N THR A 28 10.340 -4.893 4.871 1.00 0.00 N ATOM 427 CA THR A 28 9.234 -5.830 5.041 1.00 0.00 C ATOM 428 C THR A 28 7.985 -5.341 4.307 1.00 0.00 C ATOM 429 O THR A 28 6.913 -5.896 4.507 1.00 0.00 O ATOM 430 CB THR A 28 8.958 -6.078 6.537 1.00 0.00 C ATOM 431 OG1 THR A 28 10.167 -6.060 7.276 1.00 0.00 O ATOM 432 CG2 THR A 28 8.282 -7.436 6.781 1.00 0.00 C ATOM 0 H THR A 28 10.069 -3.914 4.963 1.00 0.00 H new ATOM 0 HA THR A 28 9.518 -6.784 4.596 1.00 0.00 H new ATOM 0 HB THR A 28 8.292 -5.279 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.973 -6.217 8.224 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.106 -7.568 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.331 -7.470 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.929 -8.235 6.418 1.00 0.00 H new ATOM 440 N GLY A 29 8.096 -4.338 3.438 1.00 0.00 N ATOM 441 CA GLY A 29 6.984 -3.803 2.694 1.00 0.00 C ATOM 442 C GLY A 29 7.615 -2.895 1.647 1.00 0.00 C ATOM 443 O GLY A 29 8.556 -2.174 1.958 1.00 0.00 O ATOM 0 H GLY A 29 8.982 -3.874 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.401 -4.598 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.306 -3.248 3.342 1.00 0.00 H new ATOM 447 N PRO A 30 7.194 -2.967 0.385 1.00 0.00 N ATOM 448 CA PRO A 30 7.790 -2.173 -0.678 1.00 0.00 C ATOM 449 C PRO A 30 7.628 -0.681 -0.397 1.00 0.00 C ATOM 450 O PRO A 30 6.523 -0.246 -0.079 1.00 0.00 O ATOM 451 CB PRO A 30 7.058 -2.575 -1.965 1.00 0.00 C ATOM 452 CG PRO A 30 5.813 -3.318 -1.472 1.00 0.00 C ATOM 453 CD PRO A 30 6.159 -3.852 -0.094 1.00 0.00 C ATOM 0 HA PRO A 30 8.861 -2.356 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.791 -1.702 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.679 -3.212 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.953 -2.650 -1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.550 -4.130 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.291 -3.842 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.509 -4.883 -0.144 1.00 0.00 H new ATOM 461 N ASN A 31 8.689 0.128 -0.539 1.00 0.00 N ATOM 462 CA ASN A 31 8.506 1.575 -0.561 1.00 0.00 C ATOM 463 C ASN A 31 7.491 1.956 -1.647 1.00 0.00 C ATOM 464 O ASN A 31 7.655 1.597 -2.813 1.00 0.00 O ATOM 465 CB ASN A 31 9.846 2.326 -0.659 1.00 0.00 C ATOM 466 CG ASN A 31 10.687 2.172 -1.933 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.738 2.794 -2.035 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.299 1.341 -2.893 1.00 0.00 N ATOM 0 H ASN A 31 9.653 -0.189 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 31 8.085 1.897 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.640 3.388 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.463 2.013 0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.877 1.216 -3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.423 0.827 -2.800 1.00 0.00 H new ATOM 475 N LEU A 32 6.405 2.629 -1.271 1.00 0.00 N ATOM 476 CA LEU A 32 5.255 2.839 -2.143 1.00 0.00 C ATOM 477 C LEU A 32 5.489 4.059 -3.039 1.00 0.00 C ATOM 478 O LEU A 32 4.680 4.982 -3.080 1.00 0.00 O ATOM 479 CB LEU A 32 3.984 2.960 -1.288 1.00 0.00 C ATOM 480 CG LEU A 32 3.798 1.802 -0.288 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.630 2.092 0.656 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.553 0.474 -1.007 1.00 0.00 C ATOM 0 H LEU A 32 6.299 3.046 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 32 5.122 1.985 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.014 3.901 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.116 3.003 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 32 4.720 1.718 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.513 1.264 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.829 3.009 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.714 2.210 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.426 -0.320 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.653 0.551 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.405 0.244 -1.646 1.00 0.00 H new ATOM 494 N HIS A 33 6.620 4.051 -3.749 1.00 0.00 N ATOM 495 CA HIS A 33 7.119 5.172 -4.534 1.00 0.00 C ATOM 496 C HIS A 33 6.104 5.611 -5.592 1.00 0.00 C ATOM 497 O HIS A 33 5.838 6.800 -5.737 1.00 0.00 O ATOM 498 CB HIS A 33 8.462 4.765 -5.158 1.00 0.00 C ATOM 499 CG HIS A 33 9.039 5.737 -6.163 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.765 5.386 -7.279 1.00 0.00 N ATOM 501 CD2 HIS A 33 8.957 7.106 -6.140 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.099 6.517 -7.921 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.628 7.589 -7.268 1.00 0.00 N ATOM 0 H HIS A 33 7.230 3.235 -3.792 1.00 0.00 H new ATOM 0 HA HIS A 33 7.271 6.037 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.187 4.627 -4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.337 3.798 -5.645 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.464 7.703 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.669 6.558 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.738 8.566 -7.541 1.00 0.00 H new ATOM 511 N GLY A 34 5.566 4.656 -6.351 1.00 0.00 N ATOM 512 CA GLY A 34 4.679 4.931 -7.469 1.00 0.00 C ATOM 513 C GLY A 34 3.602 3.858 -7.545 1.00 0.00 C ATOM 514 O GLY A 34 3.808 2.829 -8.183 1.00 0.00 O ATOM 0 H GLY A 34 5.739 3.662 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.220 5.912 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.247 4.956 -8.399 1.00 0.00 H new ATOM 518 N LEU A 35 2.466 4.105 -6.893 1.00 0.00 N ATOM 519 CA LEU A 35 1.306 3.227 -6.892 1.00 0.00 C ATOM 520 C LEU A 35 0.286 3.704 -7.931 1.00 0.00 C ATOM 521 O LEU A 35 -0.056 2.987 -8.870 1.00 0.00 O ATOM 522 CB LEU A 35 0.663 3.224 -5.497 1.00 0.00 C ATOM 523 CG LEU A 35 1.481 2.533 -4.397 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.651 2.621 -3.111 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.777 1.060 -4.707 1.00 0.00 C ATOM 0 H LEU A 35 2.328 4.948 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 35 1.624 2.216 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.481 4.256 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.309 2.736 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 35 2.447 3.029 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.192 2.141 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.474 3.668 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.304 2.117 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.358 0.626 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.839 0.515 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.345 0.990 -5.635 1.00 0.00 H new ATOM 537 N PHE A 36 -0.232 4.917 -7.745 1.00 0.00 N ATOM 538 CA PHE A 36 -1.374 5.388 -8.510 1.00 0.00 C ATOM 539 C PHE A 36 -0.911 5.744 -9.915 1.00 0.00 C ATOM 540 O PHE A 36 0.143 6.352 -10.099 1.00 0.00 O ATOM 541 CB PHE A 36 -2.076 6.560 -7.817 1.00 0.00 C ATOM 542 CG PHE A 36 -2.771 6.200 -6.511 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.019 5.876 -5.367 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.176 6.157 -6.442 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.654 5.498 -4.174 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.810 5.849 -5.225 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.054 5.518 -4.092 1.00 0.00 C ATOM 0 H PHE A 36 0.126 5.590 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.118 4.594 -8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.342 7.341 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.813 6.981 -8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.941 5.919 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.767 6.360 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.066 5.192 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.888 5.868 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.547 5.280 -3.161 1.00 0.00 H new ATOM 557 N GLY A 37 -1.694 5.327 -10.912 1.00 0.00 N ATOM 558 CA GLY A 37 -1.329 5.491 -12.309 1.00 0.00 C ATOM 559 C GLY A 37 -0.015 4.778 -12.634 1.00 0.00 C ATOM 560 O GLY A 37 0.756 5.256 -13.464 1.00 0.00 O ATOM 0 H GLY A 37 -2.594 4.869 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.124 5.097 -12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.235 6.552 -12.539 1.00 0.00 H new ATOM 564 N ARG A 38 0.248 3.631 -11.993 1.00 0.00 N ATOM 565 CA ARG A 38 1.412 2.817 -12.268 1.00 0.00 C ATOM 566 C ARG A 38 1.069 1.350 -12.019 1.00 0.00 C ATOM 567 O ARG A 38 0.464 1.015 -11.003 1.00 0.00 O ATOM 568 CB ARG A 38 2.576 3.305 -11.391 1.00 0.00 C ATOM 569 CG ARG A 38 3.879 3.330 -12.195 1.00 0.00 C ATOM 570 CD ARG A 38 4.939 4.194 -11.498 1.00 0.00 C ATOM 571 NE ARG A 38 4.554 5.619 -11.485 1.00 0.00 N ATOM 572 CZ ARG A 38 4.658 6.468 -12.522 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.199 6.052 -13.674 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.225 7.729 -12.405 1.00 0.00 N ATOM 0 H ARG A 38 -0.355 3.249 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 38 1.719 2.908 -13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.358 4.302 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.687 2.650 -10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.255 2.314 -12.316 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.686 3.720 -13.194 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.079 3.845 -10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.896 4.079 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 38 4.176 5.992 -10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.532 5.092 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.279 6.695 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.815 8.048 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.305 8.371 -13.194 1.00 0.00 H new ATOM 588 N LYS A 39 1.413 0.478 -12.970 1.00 0.00 N ATOM 589 CA LYS A 39 1.194 -0.952 -12.836 1.00 0.00 C ATOM 590 C LYS A 39 2.212 -1.543 -11.853 1.00 0.00 C ATOM 591 O LYS A 39 3.362 -1.105 -11.846 1.00 0.00 O ATOM 592 CB LYS A 39 1.180 -1.623 -14.222 1.00 0.00 C ATOM 593 CG LYS A 39 2.458 -1.515 -15.081 1.00 0.00 C ATOM 594 CD LYS A 39 3.549 -2.561 -14.791 1.00 0.00 C ATOM 595 CE LYS A 39 3.165 -3.987 -15.218 1.00 0.00 C ATOM 596 NZ LYS A 39 4.065 -4.990 -14.610 1.00 0.00 N ATOM 0 H LYS A 39 1.850 0.750 -13.851 1.00 0.00 H new ATOM 0 HA LYS A 39 0.212 -1.151 -12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.958 -2.681 -14.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.355 -1.198 -14.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.175 -1.594 -16.131 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.886 -0.522 -14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.465 -2.271 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.769 -2.557 -13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.136 -4.193 -14.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.208 -4.068 -16.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.824 -5.936 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.050 -4.767 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.954 -4.974 -13.576 1.00 0.00 H new ATOM 610 N THR A 40 1.815 -2.525 -11.034 1.00 0.00 N ATOM 611 CA THR A 40 2.748 -3.199 -10.135 1.00 0.00 C ATOM 612 C THR A 40 3.367 -4.422 -10.824 1.00 0.00 C ATOM 613 O THR A 40 3.708 -4.397 -12.009 1.00 0.00 O ATOM 614 CB THR A 40 2.112 -3.498 -8.774 1.00 0.00 C ATOM 615 OG1 THR A 40 3.085 -4.067 -7.918 1.00 0.00 O ATOM 616 CG2 THR A 40 0.869 -4.399 -8.810 1.00 0.00 C ATOM 0 H THR A 40 0.856 -2.867 -10.978 1.00 0.00 H new ATOM 0 HA THR A 40 3.575 -2.525 -9.911 1.00 0.00 H new ATOM 0 HB THR A 40 1.757 -2.537 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.701 -4.195 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.498 -4.548 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.095 -3.927 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.131 -5.363 -9.245 1.00 0.00 H new ATOM 624 N GLY A 41 3.481 -5.518 -10.080 1.00 0.00 N ATOM 625 CA GLY A 41 4.084 -6.755 -10.498 1.00 0.00 C ATOM 626 C GLY A 41 5.582 -6.562 -10.735 1.00 0.00 C ATOM 627 O GLY A 41 6.126 -7.168 -11.656 1.00 0.00 O ATOM 0 H GLY A 41 3.134 -5.557 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.925 -7.520 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.607 -7.109 -11.412 1.00 0.00 H new ATOM 631 N GLN A 42 6.248 -5.694 -9.950 1.00 0.00 N ATOM 632 CA GLN A 42 7.653 -5.362 -10.170 1.00 0.00 C ATOM 633 C GLN A 42 8.292 -4.643 -8.971 1.00 0.00 C ATOM 634 O GLN A 42 9.071 -5.266 -8.264 1.00 0.00 O ATOM 635 CB GLN A 42 7.823 -4.587 -11.491 1.00 0.00 C ATOM 636 CG GLN A 42 9.249 -4.729 -12.040 1.00 0.00 C ATOM 637 CD GLN A 42 9.331 -4.321 -13.510 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.450 -3.646 -14.034 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.381 -4.756 -14.202 1.00 0.00 N ATOM 0 H GLN A 42 5.826 -5.212 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 42 8.203 -6.299 -10.262 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.109 -4.957 -12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.596 -3.533 -11.329 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.928 -4.112 -11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.580 -5.762 -11.930 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.099 -5.315 -13.742 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.468 -4.530 -15.193 1.00 0.00 H new ATOM 648 N ALA A 43 7.966 -3.366 -8.734 1.00 0.00 N ATOM 649 CA ALA A 43 8.533 -2.488 -7.710 1.00 0.00 C ATOM 650 C ALA A 43 10.021 -2.135 -7.899 1.00 0.00 C ATOM 651 O ALA A 43 10.860 -3.008 -8.120 1.00 0.00 O ATOM 652 CB ALA A 43 8.244 -3.003 -6.304 1.00 0.00 C ATOM 0 H ALA A 43 7.254 -2.891 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 43 8.013 -1.539 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.681 -2.325 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.166 -3.057 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.678 -3.996 -6.184 1.00 0.00 H new ATOM 658 N PRO A 44 10.378 -0.841 -7.806 1.00 0.00 N ATOM 659 CA PRO A 44 11.738 -0.378 -8.023 1.00 0.00 C ATOM 660 C PRO A 44 12.611 -0.639 -6.790 1.00 0.00 C ATOM 661 O PRO A 44 12.954 0.291 -6.061 1.00 0.00 O ATOM 662 CB PRO A 44 11.595 1.117 -8.339 1.00 0.00 C ATOM 663 CG PRO A 44 10.379 1.528 -7.510 1.00 0.00 C ATOM 664 CD PRO A 44 9.487 0.290 -7.585 1.00 0.00 C ATOM 0 HA PRO A 44 12.238 -0.905 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.486 1.677 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.436 1.291 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.652 1.769 -6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.886 2.408 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.919 0.163 -6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.764 0.380 -8.396 1.00 0.00 H new ATOM 672 N GLY A 45 13.008 -1.897 -6.577 1.00 0.00 N ATOM 673 CA GLY A 45 14.064 -2.228 -5.626 1.00 0.00 C ATOM 674 C GLY A 45 13.928 -3.646 -5.087 1.00 0.00 C ATOM 675 O GLY A 45 14.857 -4.443 -5.183 1.00 0.00 O ATOM 0 H GLY A 45 12.609 -2.705 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.034 -2.116 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.038 -1.522 -4.796 1.00 0.00 H new ATOM 679 N PHE A 46 12.769 -3.955 -4.509 1.00 0.00 N ATOM 680 CA PHE A 46 12.404 -5.272 -4.015 1.00 0.00 C ATOM 681 C PHE A 46 11.085 -5.620 -4.685 1.00 0.00 C ATOM 682 O PHE A 46 10.301 -4.712 -4.944 1.00 0.00 O ATOM 683 CB PHE A 46 12.314 -5.239 -2.477 1.00 0.00 C ATOM 684 CG PHE A 46 11.080 -5.843 -1.829 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.864 -5.149 -1.921 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.114 -7.094 -1.179 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.679 -5.748 -1.484 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.926 -7.653 -0.666 1.00 0.00 C ATOM 689 CZ PHE A 46 8.704 -6.986 -0.831 1.00 0.00 C ATOM 0 H PHE A 46 12.032 -3.264 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 46 13.143 -6.037 -4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.188 -5.754 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.385 -4.199 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.844 -4.150 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.050 -7.623 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.735 -5.251 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.957 -8.598 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.790 -7.423 -0.458 1.00 0.00 H new ATOM 699 N THR A 47 10.848 -6.906 -4.943 1.00 0.00 N ATOM 700 CA THR A 47 9.554 -7.402 -5.378 1.00 0.00 C ATOM 701 C THR A 47 9.096 -8.520 -4.448 1.00 0.00 C ATOM 702 O THR A 47 9.784 -8.875 -3.493 1.00 0.00 O ATOM 703 CB THR A 47 9.565 -7.801 -6.859 1.00 0.00 C ATOM 704 OG1 THR A 47 8.242 -7.696 -7.367 1.00 0.00 O ATOM 705 CG2 THR A 47 10.114 -9.209 -7.094 1.00 0.00 C ATOM 0 H THR A 47 11.557 -7.633 -4.854 1.00 0.00 H new ATOM 0 HA THR A 47 8.819 -6.600 -5.309 1.00 0.00 H new ATOM 0 HB THR A 47 10.236 -7.122 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.129 -6.828 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.096 -9.433 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.139 -9.265 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.498 -9.933 -6.561 1.00 0.00 H new ATOM 713 N TYR A 48 7.908 -9.042 -4.735 1.00 0.00 N ATOM 714 CA TYR A 48 7.046 -9.687 -3.757 1.00 0.00 C ATOM 715 C TYR A 48 6.772 -11.149 -4.103 1.00 0.00 C ATOM 716 O TYR A 48 7.373 -11.698 -5.026 1.00 0.00 O ATOM 717 CB TYR A 48 5.740 -8.884 -3.655 1.00 0.00 C ATOM 718 CG TYR A 48 5.607 -7.687 -4.561 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.125 -6.447 -4.165 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.025 -7.835 -5.828 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.127 -5.371 -5.062 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.886 -6.715 -6.655 1.00 0.00 C ATOM 723 CZ TYR A 48 5.528 -5.516 -6.322 1.00 0.00 C ATOM 724 OH TYR A 48 5.690 -4.574 -7.286 1.00 0.00 O ATOM 0 H TYR A 48 7.511 -9.027 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 48 7.552 -9.697 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.909 -9.559 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.629 -8.545 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.523 -6.321 -3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.687 -8.805 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.588 -4.434 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.284 -6.775 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 48 4.812 -4.255 -7.583 1.00 0.00 H new ATOM 734 N THR A 49 5.835 -11.764 -3.372 1.00 0.00 N ATOM 735 CA THR A 49 5.276 -13.052 -3.768 1.00 0.00 C ATOM 736 C THR A 49 4.801 -12.975 -5.218 1.00 0.00 C ATOM 737 O THR A 49 4.192 -11.981 -5.607 1.00 0.00 O ATOM 738 CB THR A 49 4.104 -13.466 -2.862 1.00 0.00 C ATOM 739 OG1 THR A 49 3.132 -12.442 -2.730 1.00 0.00 O ATOM 740 CG2 THR A 49 4.610 -13.931 -1.498 1.00 0.00 C ATOM 0 H THR A 49 5.451 -11.387 -2.505 1.00 0.00 H new ATOM 0 HA THR A 49 6.058 -13.805 -3.668 1.00 0.00 H new ATOM 0 HB THR A 49 3.606 -14.305 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.524 -11.677 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.763 -14.219 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.272 -14.787 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.156 -13.120 -1.017 1.00 0.00 H new ATOM 748 N ASP A 50 5.052 -14.036 -5.989 1.00 0.00 N ATOM 749 CA ASP A 50 4.465 -14.306 -7.297 1.00 0.00 C ATOM 750 C ASP A 50 2.997 -13.893 -7.349 1.00 0.00 C ATOM 751 O ASP A 50 2.572 -13.278 -8.317 1.00 0.00 O ATOM 752 CB ASP A 50 4.623 -15.801 -7.612 1.00 0.00 C ATOM 753 CG ASP A 50 3.817 -16.698 -6.676 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.677 -16.302 -5.494 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.345 -17.743 -7.164 1.00 0.00 O ATOM 0 H ASP A 50 5.704 -14.765 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 50 4.987 -13.714 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.311 -15.985 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.677 -16.071 -7.546 1.00 0.00 H new ATOM 760 N ALA A 51 2.224 -14.186 -6.310 1.00 0.00 N ATOM 761 CA ALA A 51 0.809 -13.859 -6.258 1.00 0.00 C ATOM 762 C ALA A 51 0.533 -12.377 -6.538 1.00 0.00 C ATOM 763 O ALA A 51 -0.449 -12.065 -7.212 1.00 0.00 O ATOM 764 CB ALA A 51 0.231 -14.315 -4.916 1.00 0.00 C ATOM 0 H ALA A 51 2.567 -14.661 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 51 0.303 -14.399 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.830 -14.071 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.360 -15.392 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.752 -13.807 -4.104 1.00 0.00 H new ATOM 770 N ASN A 52 1.390 -11.466 -6.061 1.00 0.00 N ATOM 771 CA ASN A 52 1.291 -10.051 -6.422 1.00 0.00 C ATOM 772 C ASN A 52 2.164 -9.736 -7.637 1.00 0.00 C ATOM 773 O ASN A 52 1.795 -8.919 -8.480 1.00 0.00 O ATOM 774 CB ASN A 52 1.670 -9.158 -5.240 1.00 0.00 C ATOM 775 CG ASN A 52 1.395 -7.680 -5.537 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.437 -7.338 -6.224 1.00 0.00 O ATOM 777 ND2 ASN A 52 2.235 -6.788 -5.026 1.00 0.00 N ATOM 0 H ASN A 52 2.157 -11.685 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 52 0.254 -9.844 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.107 -9.463 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.726 -9.292 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.091 -5.793 -5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.024 -7.097 -4.458 1.00 0.00 H new ATOM 784 N LYS A 53 3.323 -10.391 -7.759 1.00 0.00 N ATOM 785 CA LYS A 53 4.275 -10.117 -8.827 1.00 0.00 C ATOM 786 C LYS A 53 3.604 -10.344 -10.186 1.00 0.00 C ATOM 787 O LYS A 53 3.873 -9.653 -11.163 1.00 0.00 O ATOM 788 CB LYS A 53 5.543 -10.967 -8.704 1.00 0.00 C ATOM 789 CG LYS A 53 6.748 -10.197 -9.277 1.00 0.00 C ATOM 790 CD LYS A 53 7.613 -11.043 -10.215 1.00 0.00 C ATOM 791 CE LYS A 53 8.197 -12.261 -9.489 1.00 0.00 C ATOM 792 NZ LYS A 53 9.109 -13.029 -10.361 1.00 0.00 N ATOM 0 H LYS A 53 3.623 -11.125 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 53 4.583 -9.075 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.724 -11.217 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.414 -11.908 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.388 -9.321 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.364 -9.834 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.015 -11.375 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.423 -10.433 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.734 -11.932 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.387 -12.907 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.485 -13.845 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.590 -13.364 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.896 -12.419 -10.663 1.00 0.00 H new ATOM 806 N ASN A 54 2.728 -11.345 -10.217 1.00 0.00 N ATOM 807 CA ASN A 54 1.979 -11.797 -11.366 1.00 0.00 C ATOM 808 C ASN A 54 0.808 -10.859 -11.675 1.00 0.00 C ATOM 809 O ASN A 54 0.287 -10.891 -12.785 1.00 0.00 O ATOM 810 CB ASN A 54 1.449 -13.211 -11.087 1.00 0.00 C ATOM 811 CG ASN A 54 0.790 -13.835 -12.314 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.328 -13.777 -13.414 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.366 -14.467 -12.134 1.00 0.00 N ATOM 0 H ASN A 54 2.515 -11.891 -9.382 1.00 0.00 H new ATOM 0 HA ASN A 54 2.640 -11.802 -12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.271 -13.846 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.728 -13.172 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.828 -14.920 -12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.791 -14.499 -11.207 1.00 0.00 H new ATOM 820 N LYS A 55 0.345 -10.057 -10.702 1.00 0.00 N ATOM 821 CA LYS A 55 -0.872 -9.274 -10.897 1.00 0.00 C ATOM 822 C LYS A 55 -0.637 -8.175 -11.934 1.00 0.00 C ATOM 823 O LYS A 55 -1.389 -8.069 -12.899 1.00 0.00 O ATOM 824 CB LYS A 55 -1.413 -8.690 -9.575 1.00 0.00 C ATOM 825 CG LYS A 55 -2.485 -9.565 -8.893 1.00 0.00 C ATOM 826 CD LYS A 55 -3.591 -8.668 -8.302 1.00 0.00 C ATOM 827 CE LYS A 55 -4.729 -9.437 -7.608 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.569 -10.217 -8.537 1.00 0.00 N ATOM 0 H LYS A 55 0.789 -9.939 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.640 -9.950 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.581 -8.549 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.835 -7.704 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.914 -10.260 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.030 -10.165 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.141 -7.983 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.014 -8.060 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.301 -10.111 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.359 -8.729 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.314 -10.708 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.006 -9.577 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.981 -10.916 -9.033 1.00 0.00 H new ATOM 842 N GLY A 56 0.383 -7.339 -11.722 1.00 0.00 N ATOM 843 CA GLY A 56 0.700 -6.254 -12.642 1.00 0.00 C ATOM 844 C GLY A 56 -0.503 -5.341 -12.895 1.00 0.00 C ATOM 845 O GLY A 56 -0.822 -5.037 -14.040 1.00 0.00 O ATOM 0 H GLY A 56 1.004 -7.397 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.522 -5.665 -12.237 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.043 -6.671 -13.589 1.00 0.00 H new ATOM 849 N ILE A 57 -1.148 -4.887 -11.817 1.00 0.00 N ATOM 850 CA ILE A 57 -2.360 -4.093 -11.840 1.00 0.00 C ATOM 851 C ILE A 57 -2.035 -2.678 -11.416 1.00 0.00 C ATOM 852 O ILE A 57 -0.998 -2.428 -10.813 1.00 0.00 O ATOM 853 CB ILE A 57 -3.429 -4.675 -10.904 1.00 0.00 C ATOM 854 CG1 ILE A 57 -3.022 -4.827 -9.421 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.942 -6.004 -11.469 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.238 -3.566 -8.576 1.00 0.00 C ATOM 0 H ILE A 57 -0.819 -5.075 -10.870 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.758 -4.103 -12.855 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.224 -3.929 -10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.591 -5.646 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.970 -5.108 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.700 -6.414 -10.802 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.377 -5.837 -12.454 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.114 -6.708 -11.553 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.927 -3.758 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.647 -2.747 -8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.294 -3.295 -8.591 1.00 0.00 H new ATOM 868 N THR A 58 -2.933 -1.751 -11.716 1.00 0.00 N ATOM 869 CA THR A 58 -2.761 -0.366 -11.355 1.00 0.00 C ATOM 870 C THR A 58 -3.331 -0.170 -9.957 1.00 0.00 C ATOM 871 O THR A 58 -4.520 -0.389 -9.714 1.00 0.00 O ATOM 872 CB THR A 58 -3.410 0.489 -12.440 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.872 0.055 -13.676 1.00 0.00 O ATOM 874 CG2 THR A 58 -3.097 1.973 -12.249 1.00 0.00 C ATOM 0 H THR A 58 -3.800 -1.946 -12.217 1.00 0.00 H new ATOM 0 HA THR A 58 -1.717 -0.057 -11.306 1.00 0.00 H new ATOM 0 HB THR A 58 -4.494 0.377 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.264 0.579 -14.405 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.576 2.551 -13.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.473 2.303 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.019 2.126 -12.290 1.00 0.00 H new ATOM 882 N TRP A 59 -2.463 0.218 -9.029 1.00 0.00 N ATOM 883 CA TRP A 59 -2.810 0.540 -7.658 1.00 0.00 C ATOM 884 C TRP A 59 -3.509 1.891 -7.603 1.00 0.00 C ATOM 885 O TRP A 59 -3.004 2.853 -7.031 1.00 0.00 O ATOM 886 CB TRP A 59 -1.547 0.503 -6.807 1.00 0.00 C ATOM 887 CG TRP A 59 -1.036 -0.862 -6.523 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.190 -1.306 -6.851 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.668 -1.931 -5.758 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.349 -2.585 -6.374 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.756 -3.020 -5.677 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.907 -2.079 -5.100 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -1.045 -4.193 -4.964 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.169 -3.211 -4.308 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.245 -4.268 -4.239 1.00 0.00 C ATOM 0 H TRP A 59 -1.466 0.319 -9.221 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.508 -0.195 -7.256 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.767 1.072 -7.313 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.746 1.007 -5.861 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.932 -0.747 -7.402 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.188 -3.147 -6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.663 -1.315 -5.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.356 -5.025 -4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.090 -3.269 -3.747 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.457 -5.135 -3.631 1.00 0.00 H new ATOM 906 N LYS A 60 -4.692 1.934 -8.205 1.00 0.00 N ATOM 907 CA LYS A 60 -5.622 3.033 -8.030 1.00 0.00 C ATOM 908 C LYS A 60 -6.284 2.918 -6.654 1.00 0.00 C ATOM 909 O LYS A 60 -6.143 1.912 -5.952 1.00 0.00 O ATOM 910 CB LYS A 60 -6.665 3.049 -9.158 1.00 0.00 C ATOM 911 CG LYS A 60 -7.496 1.755 -9.230 1.00 0.00 C ATOM 912 CD LYS A 60 -7.305 0.953 -10.527 1.00 0.00 C ATOM 913 CE LYS A 60 -8.257 1.347 -11.668 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.439 2.804 -11.785 1.00 0.00 N ATOM 0 H LYS A 60 -5.030 1.202 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.082 3.978 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.335 3.896 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.159 3.202 -10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.234 1.121 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.551 2.008 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.278 1.079 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.441 -0.106 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.869 0.958 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.227 0.877 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.841 3.030 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.085 3.134 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.519 3.278 -11.681 1.00 0.00 H new ATOM 928 N GLU A 61 -7.077 3.935 -6.320 1.00 0.00 N ATOM 929 CA GLU A 61 -7.877 3.983 -5.105 1.00 0.00 C ATOM 930 C GLU A 61 -8.641 2.685 -4.915 1.00 0.00 C ATOM 931 O GLU A 61 -8.661 2.114 -3.827 1.00 0.00 O ATOM 932 CB GLU A 61 -8.771 5.241 -5.062 1.00 0.00 C ATOM 933 CG GLU A 61 -9.290 5.762 -6.417 1.00 0.00 C ATOM 934 CD GLU A 61 -8.331 6.733 -7.098 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.347 6.235 -7.686 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.558 7.958 -6.965 1.00 0.00 O ATOM 0 H GLU A 61 -7.181 4.766 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.208 4.075 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.631 5.027 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.210 6.042 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.469 4.915 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.249 6.257 -6.265 1.00 0.00 H new ATOM 943 N GLU A 62 -9.240 2.209 -5.998 1.00 0.00 N ATOM 944 CA GLU A 62 -10.167 1.110 -5.946 1.00 0.00 C ATOM 945 C GLU A 62 -9.467 -0.169 -5.458 1.00 0.00 C ATOM 946 O GLU A 62 -9.924 -0.848 -4.536 1.00 0.00 O ATOM 947 CB GLU A 62 -10.787 0.928 -7.347 1.00 0.00 C ATOM 948 CG GLU A 62 -11.336 2.223 -7.989 1.00 0.00 C ATOM 949 CD GLU A 62 -11.401 2.130 -9.513 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.336 1.467 -10.000 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.488 2.696 -10.168 1.00 0.00 O ATOM 0 H GLU A 62 -9.090 2.582 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.962 1.322 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.033 0.503 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.597 0.202 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.332 2.427 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.703 3.064 -7.705 1.00 0.00 H new ATOM 958 N THR A 63 -8.336 -0.491 -6.088 1.00 0.00 N ATOM 959 CA THR A 63 -7.603 -1.719 -5.859 1.00 0.00 C ATOM 960 C THR A 63 -6.904 -1.656 -4.505 1.00 0.00 C ATOM 961 O THR A 63 -6.931 -2.636 -3.759 1.00 0.00 O ATOM 962 CB THR A 63 -6.646 -1.965 -7.034 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.016 -0.760 -7.422 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.439 -2.479 -8.240 1.00 0.00 C ATOM 0 H THR A 63 -7.902 0.114 -6.785 1.00 0.00 H new ATOM 0 HA THR A 63 -8.278 -2.574 -5.817 1.00 0.00 H new ATOM 0 HB THR A 63 -5.899 -2.692 -6.716 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.562 -0.890 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.760 -2.654 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.938 -3.412 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.184 -1.738 -8.528 1.00 0.00 H new ATOM 972 N LEU A 64 -6.335 -0.496 -4.149 1.00 0.00 N ATOM 973 CA LEU A 64 -5.882 -0.297 -2.780 1.00 0.00 C ATOM 974 C LEU A 64 -7.014 -0.578 -1.797 1.00 0.00 C ATOM 975 O LEU A 64 -6.791 -1.270 -0.813 1.00 0.00 O ATOM 976 CB LEU A 64 -5.354 1.121 -2.533 1.00 0.00 C ATOM 977 CG LEU A 64 -3.838 1.257 -2.730 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.540 1.848 -4.102 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.235 2.158 -1.648 1.00 0.00 C ATOM 0 H LEU A 64 -6.183 0.294 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.061 -0.997 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.862 1.811 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.608 1.422 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.393 0.265 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.462 1.940 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.944 1.195 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.001 2.833 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.159 2.243 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.689 3.147 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.427 1.726 -0.666 1.00 0.00 H new ATOM 991 N MET A 65 -8.211 -0.032 -2.019 1.00 0.00 N ATOM 992 CA MET A 65 -9.293 -0.158 -1.062 1.00 0.00 C ATOM 993 C MET A 65 -9.603 -1.636 -0.816 1.00 0.00 C ATOM 994 O MET A 65 -9.605 -2.084 0.332 1.00 0.00 O ATOM 995 CB MET A 65 -10.512 0.644 -1.532 1.00 0.00 C ATOM 996 CG MET A 65 -11.423 0.960 -0.345 1.00 0.00 C ATOM 997 SD MET A 65 -12.727 2.185 -0.631 1.00 0.00 S ATOM 998 CE MET A 65 -11.698 3.645 -0.923 1.00 0.00 C ATOM 0 H MET A 65 -8.448 0.501 -2.856 1.00 0.00 H new ATOM 0 HA MET A 65 -8.994 0.265 -0.103 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.187 1.569 -2.007 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.063 0.077 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.892 0.032 -0.018 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.801 1.310 0.479 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.292 4.546 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.856 3.641 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.326 3.629 -1.947 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.830 -2.394 -1.896 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.121 -3.822 -1.799 1.00 0.00 C ATOM 1010 C GLU A 66 -8.998 -4.555 -1.050 1.00 0.00 C ATOM 1011 O GLU A 66 -9.250 -5.325 -0.123 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.356 -4.407 -3.201 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.999 -5.802 -3.122 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.218 -6.443 -4.489 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.921 -5.769 -5.500 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.637 -7.620 -4.492 1.00 0.00 O ATOM 0 H GLU A 66 -9.817 -2.035 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.035 -3.963 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.000 -3.739 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.408 -4.471 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.365 -6.453 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.957 -5.725 -2.607 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.747 -4.300 -1.441 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.580 -4.944 -0.849 1.00 0.00 C ATOM 1025 C TYR A 67 -6.503 -4.677 0.650 1.00 0.00 C ATOM 1026 O TYR A 67 -6.500 -5.605 1.447 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.344 -4.432 -1.580 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.023 -5.018 -1.135 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.821 -6.409 -1.116 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.946 -4.159 -0.868 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.556 -6.944 -0.826 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.681 -4.696 -0.605 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.477 -6.083 -0.589 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.242 -6.598 -0.356 1.00 0.00 O ATOM 0 H TYR A 67 -7.518 -3.637 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.649 -6.026 -0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.467 -4.631 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.298 -3.350 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.647 -7.072 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.093 -3.089 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.415 -8.014 -0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.851 -4.033 -0.412 1.00 0.00 H new ATOM 0 HH TYR A 67 0.101 -6.253 0.495 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.439 -3.410 1.044 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.381 -3.021 2.446 1.00 0.00 C ATOM 1046 C LEU A 68 -7.552 -3.603 3.241 1.00 0.00 C ATOM 1047 O LEU A 68 -7.373 -3.966 4.405 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.326 -1.491 2.602 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.920 -0.865 2.554 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.957 -1.543 3.531 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.314 -0.843 1.150 1.00 0.00 C ATOM 0 H LEU A 68 -6.426 -2.622 0.397 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.460 -3.436 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.931 -1.042 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.790 -1.224 3.551 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.060 0.171 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.977 -1.070 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.339 -1.443 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.867 -2.600 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.324 -0.389 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.232 -1.862 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.954 -0.262 0.486 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.744 -3.686 2.637 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.878 -4.328 3.282 1.00 0.00 C ATOM 1065 C GLU A 69 -9.565 -5.799 3.580 1.00 0.00 C ATOM 1066 O GLU A 69 -9.686 -6.237 4.725 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.138 -4.178 2.413 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.424 -4.280 3.246 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.314 -5.453 2.870 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.905 -6.593 3.172 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.412 -5.172 2.346 1.00 0.00 O ATOM 0 H GLU A 69 -8.940 -3.316 1.707 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.071 -3.836 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.113 -3.216 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.142 -4.950 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.156 -4.364 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.991 -3.356 3.134 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.161 -6.551 2.551 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.064 -8.006 2.601 1.00 0.00 C ATOM 1080 C ASN A 70 -7.873 -8.496 1.757 1.00 0.00 C ATOM 1081 O ASN A 70 -8.047 -9.046 0.668 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.412 -8.597 2.146 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.015 -9.499 3.214 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.514 -10.594 3.456 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.087 -9.058 3.858 1.00 0.00 N ATOM 0 H ASN A 70 -8.890 -6.157 1.650 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.869 -8.348 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.106 -7.788 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.270 -9.165 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.521 -9.634 4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.477 -8.143 3.632 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.632 -8.327 2.236 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.459 -8.428 1.377 1.00 0.00 C ATOM 1094 C PRO A 71 -5.237 -9.858 0.888 1.00 0.00 C ATOM 1095 O PRO A 71 -5.029 -10.098 -0.301 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.295 -7.865 2.199 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.758 -7.994 3.651 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.278 -7.855 3.563 1.00 0.00 C ATOM 0 HA PRO A 71 -5.574 -7.857 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.377 -8.425 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.090 -6.827 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.468 -8.953 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.321 -7.219 4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.772 -8.445 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.587 -6.820 3.707 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.344 -10.811 1.813 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.278 -12.237 1.530 1.00 0.00 C ATOM 1108 C LYS A 72 -6.443 -12.727 0.659 1.00 0.00 C ATOM 1109 O LYS A 72 -6.381 -13.851 0.167 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.191 -12.988 2.869 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.754 -12.923 3.418 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.688 -12.975 4.950 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.990 -11.586 5.531 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.834 -11.525 6.997 1.00 0.00 N ATOM 0 H LYS A 72 -5.482 -10.604 2.802 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.387 -12.442 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.883 -12.549 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.490 -14.027 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.178 -13.752 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.281 -12.004 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.406 -13.702 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.700 -13.306 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.327 -10.854 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.009 -11.303 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.765 -10.532 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.657 -11.968 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.970 -12.032 7.276 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.490 -11.917 0.452 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.534 -12.241 -0.509 1.00 0.00 C ATOM 1130 C LYS A 73 -8.144 -11.681 -1.881 1.00 0.00 C ATOM 1131 O LYS A 73 -8.204 -12.397 -2.879 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.887 -11.678 -0.055 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.041 -12.487 -0.662 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.301 -11.616 -0.769 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.552 -12.432 -1.126 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.367 -13.257 -2.337 1.00 0.00 N ATOM 0 H LYS A 73 -7.630 -11.033 0.942 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.636 -13.324 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.951 -11.704 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.971 -10.633 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.758 -12.853 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.246 -13.361 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.465 -11.102 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.144 -10.848 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.811 -13.078 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.392 -11.754 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.280 -13.667 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.999 -12.664 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.692 -14.022 -2.136 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.776 -10.396 -1.930 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.434 -9.697 -3.161 1.00 0.00 C ATOM 1152 C TYR A 74 -6.306 -10.408 -3.913 1.00 0.00 C ATOM 1153 O TYR A 74 -6.359 -10.553 -5.138 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.033 -8.268 -2.791 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.706 -7.376 -3.971 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.742 -6.932 -4.807 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.376 -7.032 -4.270 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.454 -6.157 -5.942 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.082 -6.286 -5.424 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.122 -5.846 -6.257 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.827 -5.240 -7.440 1.00 0.00 O ATOM 0 H TYR A 74 -7.708 -9.808 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.293 -9.686 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.845 -7.813 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.166 -8.308 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.766 -7.188 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.578 -7.342 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.256 -5.801 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.057 -6.052 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.630 -5.211 -8.002 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.270 -10.824 -3.177 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.127 -11.561 -3.704 1.00 0.00 C ATOM 1173 C ILE A 75 -4.059 -12.929 -3.007 1.00 0.00 C ATOM 1174 O ILE A 75 -3.965 -12.976 -1.777 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.847 -10.724 -3.524 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.825 -9.617 -4.593 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.582 -11.578 -3.688 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.962 -8.418 -4.204 1.00 0.00 C ATOM 0 H ILE A 75 -5.206 -10.651 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.232 -11.743 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.855 -10.307 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.455 -10.034 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.845 -9.278 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.700 -10.952 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.580 -12.372 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.567 -12.018 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.991 -7.675 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.345 -7.977 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.934 -8.745 -4.049 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.094 -14.045 -3.760 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.111 -15.386 -3.197 1.00 0.00 C ATOM 1192 C PRO A 76 -2.727 -15.755 -2.651 1.00 0.00 C ATOM 1193 O PRO A 76 -1.983 -16.505 -3.276 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.555 -16.298 -4.349 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.002 -15.584 -5.582 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.166 -14.110 -5.214 1.00 0.00 C ATOM 0 HA PRO A 76 -4.789 -15.480 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.148 -17.304 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.640 -16.396 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.959 -15.842 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.558 -15.841 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.382 -13.505 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.119 -13.722 -5.575 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.397 -15.231 -1.470 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.167 -15.556 -0.757 1.00 0.00 C ATOM 1206 C GLY A 77 -0.133 -14.447 -0.913 1.00 0.00 C ATOM 1207 O GLY A 77 1.004 -14.694 -1.305 1.00 0.00 O ATOM 0 H GLY A 77 -2.986 -14.560 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.385 -15.708 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.760 -16.493 -1.136 1.00 0.00 H new ATOM 1211 N THR A 78 -0.533 -13.221 -0.573 1.00 0.00 N ATOM 1212 CA THR A 78 0.369 -12.094 -0.463 1.00 0.00 C ATOM 1213 C THR A 78 1.392 -12.363 0.642 1.00 0.00 C ATOM 1214 O THR A 78 1.107 -13.062 1.615 1.00 0.00 O ATOM 1215 CB THR A 78 -0.431 -10.801 -0.202 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.436 -9.731 0.090 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.425 -10.908 0.958 1.00 0.00 C ATOM 0 H THR A 78 -1.504 -12.989 -0.366 1.00 0.00 H new ATOM 0 HA THR A 78 0.912 -11.961 -1.399 1.00 0.00 H new ATOM 0 HB THR A 78 -0.992 -10.630 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.792 -9.361 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.948 -9.959 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.148 -11.696 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.888 -11.145 1.877 1.00 0.00 H new ATOM 1225 N LYS A 79 2.572 -11.758 0.513 1.00 0.00 N ATOM 1226 CA LYS A 79 3.539 -11.674 1.601 1.00 0.00 C ATOM 1227 C LYS A 79 2.987 -10.795 2.732 1.00 0.00 C ATOM 1228 O LYS A 79 3.443 -10.899 3.868 1.00 0.00 O ATOM 1229 CB LYS A 79 4.849 -11.077 1.067 1.00 0.00 C ATOM 1230 CG LYS A 79 6.074 -11.242 1.981 1.00 0.00 C ATOM 1231 CD LYS A 79 6.750 -12.603 1.771 1.00 0.00 C ATOM 1232 CE LYS A 79 8.011 -12.708 2.642 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.779 -13.940 2.364 1.00 0.00 N ATOM 0 H LYS A 79 2.883 -11.313 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 79 3.726 -12.673 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.071 -11.537 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.695 -10.014 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.789 -10.444 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.769 -11.143 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.056 -13.405 2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.013 -12.729 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.645 -11.839 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.727 -12.688 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.621 -13.969 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.184 -14.771 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.074 -13.948 1.367 1.00 0.00 H new ATOM 1247 N MET A 80 2.067 -9.877 2.419 1.00 0.00 N ATOM 1248 CA MET A 80 1.603 -8.865 3.347 1.00 0.00 C ATOM 1249 C MET A 80 0.796 -9.480 4.484 1.00 0.00 C ATOM 1250 O MET A 80 -0.108 -10.294 4.288 1.00 0.00 O ATOM 1251 CB MET A 80 0.762 -7.854 2.585 1.00 0.00 C ATOM 1252 CG MET A 80 0.227 -6.677 3.400 1.00 0.00 C ATOM 1253 SD MET A 80 0.153 -5.158 2.424 1.00 0.00 S ATOM 1254 CE MET A 80 -1.529 -4.538 2.693 1.00 0.00 C ATOM 0 H MET A 80 1.624 -9.823 1.502 1.00 0.00 H new ATOM 0 HA MET A 80 2.466 -8.371 3.794 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.360 -7.459 1.764 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.085 -8.377 2.140 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.768 -6.917 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.864 -6.519 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.669 -3.612 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.250 -5.280 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.681 -4.349 3.756 1.00 0.00 H new ATOM 1264 N ILE A 81 1.120 -9.032 5.691 1.00 0.00 N ATOM 1265 CA ILE A 81 0.569 -9.520 6.938 1.00 0.00 C ATOM 1266 C ILE A 81 -0.248 -8.374 7.528 1.00 0.00 C ATOM 1267 O ILE A 81 0.232 -7.615 8.367 1.00 0.00 O ATOM 1268 CB ILE A 81 1.719 -9.965 7.853 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.736 -10.898 7.167 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.190 -10.602 9.147 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.136 -12.185 6.587 1.00 0.00 C ATOM 0 H ILE A 81 1.803 -8.287 5.827 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.077 -10.388 6.806 1.00 0.00 H new ATOM 0 HB ILE A 81 2.261 -9.052 8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.228 -10.349 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.507 -11.166 7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.029 -10.906 9.772 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.580 -9.878 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.585 -11.475 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.925 -12.778 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.670 -12.761 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.386 -11.931 5.837 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.485 -8.224 7.051 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.395 -7.189 7.509 1.00 0.00 C ATOM 1285 C PHE A 82 -3.813 -7.764 7.551 1.00 0.00 C ATOM 1286 O PHE A 82 -4.034 -8.866 7.037 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.256 -5.963 6.597 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.906 -4.721 7.159 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.346 -4.107 8.295 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.111 -4.238 6.617 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.998 -3.022 8.902 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.760 -3.152 7.224 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.206 -2.546 8.368 1.00 0.00 C ATOM 0 H PHE A 82 -1.881 -8.826 6.329 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.155 -6.858 8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.198 -5.765 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.699 -6.189 5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.413 -4.471 8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.535 -4.701 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.572 -2.555 9.777 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.687 -2.780 6.813 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.711 -1.714 8.835 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.752 -7.078 8.211 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.081 -7.608 8.489 1.00 0.00 C ATOM 1305 C ALA A 83 -7.035 -6.492 8.927 1.00 0.00 C ATOM 1306 O ALA A 83 -7.565 -6.522 10.034 1.00 0.00 O ATOM 1307 CB ALA A 83 -5.975 -8.694 9.568 1.00 0.00 C ATOM 0 H ALA A 83 -4.605 -6.134 8.568 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.490 -8.046 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.966 -9.094 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.328 -9.497 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.555 -8.264 10.477 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.278 -5.520 8.046 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.213 -4.439 8.322 1.00 0.00 C ATOM 1315 C GLY A 84 -7.571 -3.332 9.164 1.00 0.00 C ATOM 1316 O GLY A 84 -6.589 -3.551 9.867 1.00 0.00 O ATOM 0 H GLY A 84 -6.834 -5.464 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.571 -4.019 7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.083 -4.836 8.846 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.121 -2.119 9.050 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.567 -0.887 9.582 1.00 0.00 C ATOM 1322 C ILE A 85 -8.366 -0.452 10.811 1.00 0.00 C ATOM 1323 O ILE A 85 -7.869 -0.521 11.934 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.479 0.200 8.500 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.467 0.064 7.343 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.073 0.392 7.944 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -8.063 -0.851 6.179 1.00 0.00 C ATOM 0 H ILE A 85 -9.004 -1.971 8.561 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.541 -1.061 9.906 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.769 1.092 9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.412 -0.300 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.655 1.059 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.086 1.174 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.399 0.680 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.728 -0.541 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.854 -0.856 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.140 -0.484 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.908 -1.864 6.550 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.612 -0.018 10.584 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.612 0.224 11.609 1.00 0.00 C ATOM 1341 C LYS A 86 -11.973 -0.214 11.069 1.00 0.00 C ATOM 1342 O LYS A 86 -12.579 -1.145 11.590 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.654 1.713 12.004 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.449 2.181 12.826 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.510 1.807 14.315 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.043 2.991 15.139 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.049 2.711 16.590 1.00 0.00 N ATOM 0 H LYS A 86 -9.955 0.179 9.644 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.357 -0.347 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.717 2.316 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.563 1.900 12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.543 1.755 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.365 3.264 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.155 0.939 14.453 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.518 1.526 14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.430 3.871 14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.056 3.230 14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.416 3.539 17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.655 1.888 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.080 2.509 16.909 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.460 0.473 10.028 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.799 0.252 9.494 1.00 0.00 C ATOM 1363 C LYS A 87 -13.915 0.809 8.076 1.00 0.00 C ATOM 1364 O LYS A 87 -14.136 0.058 7.130 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.830 0.892 10.439 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.269 0.708 9.930 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.273 0.704 11.091 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.712 0.636 10.556 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.702 0.398 11.629 1.00 0.00 N ATOM 0 H LYS A 87 -11.934 1.195 9.537 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.996 -0.818 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.737 0.449 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.615 1.956 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.517 1.510 9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.345 -0.228 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.080 -0.148 11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.145 1.603 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.951 1.569 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.784 -0.161 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.657 0.360 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.492 -0.505 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.654 1.171 12.323 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.791 2.130 7.942 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.999 2.839 6.684 1.00 0.00 C ATOM 1385 C LYS A 88 -13.139 4.098 6.634 1.00 0.00 C ATOM 1386 O LYS A 88 -12.426 4.298 5.659 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.490 3.148 6.449 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.055 2.374 5.245 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.553 2.968 3.914 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.057 2.170 2.700 1.00 0.00 C ATOM 1391 NZ LYS A 88 -15.607 2.766 1.418 1.00 0.00 N ATOM 0 H LYS A 88 -13.540 2.744 8.717 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.684 2.188 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.059 2.893 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.617 4.218 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.761 1.327 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.144 2.402 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.885 4.003 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.463 2.982 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.699 1.143 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.146 2.130 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.318 2.584 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.486 3.792 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.701 2.341 1.137 1.00 0.00 H new ATOM 1405 N THR A 89 -13.172 4.919 7.688 1.00 0.00 N ATOM 1406 CA THR A 89 -12.380 6.135 7.821 1.00 0.00 C ATOM 1407 C THR A 89 -10.936 5.919 7.348 1.00 0.00 C ATOM 1408 O THR A 89 -10.516 6.492 6.344 1.00 0.00 O ATOM 1409 CB THR A 89 -12.484 6.577 9.289 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.827 6.398 9.702 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.068 8.032 9.509 1.00 0.00 C ATOM 0 H THR A 89 -13.771 4.746 8.495 1.00 0.00 H new ATOM 0 HA THR A 89 -12.761 6.929 7.179 1.00 0.00 H new ATOM 0 HB THR A 89 -11.796 5.969 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.921 6.672 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.164 8.282 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.032 8.165 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.711 8.687 8.921 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.214 5.007 8.006 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.847 4.665 7.640 1.00 0.00 C ATOM 1421 C GLU A 90 -8.753 4.068 6.238 1.00 0.00 C ATOM 1422 O GLU A 90 -7.794 4.312 5.509 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.304 3.685 8.666 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.196 4.328 10.053 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.220 3.574 10.952 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.603 2.598 10.479 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.061 3.930 12.137 1.00 0.00 O ATOM 0 H GLU A 90 -10.567 4.487 8.809 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.254 5.579 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.955 2.812 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.322 3.332 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.870 5.363 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.180 4.349 10.522 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.777 3.303 5.859 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.902 2.690 4.547 1.00 0.00 C ATOM 1436 C ARG A 91 -10.140 3.754 3.462 1.00 0.00 C ATOM 1437 O ARG A 91 -10.284 3.395 2.299 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.039 1.654 4.616 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.961 0.530 3.578 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.099 -0.480 3.794 1.00 0.00 C ATOM 1441 NE ARG A 91 -11.903 -1.276 5.019 1.00 0.00 N ATOM 1442 CZ ARG A 91 -12.812 -2.103 5.570 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.040 -2.203 5.050 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -12.477 -2.850 6.628 1.00 0.00 N ATOM 0 H ARG A 91 -10.561 3.090 6.476 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.977 2.185 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.043 1.209 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.990 2.173 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.024 0.949 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.998 0.024 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.049 0.051 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.161 -1.147 2.934 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.002 -1.193 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.293 -1.651 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.723 -2.831 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.535 -2.792 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.163 -3.477 7.047 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.178 5.043 3.826 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.257 6.168 2.929 1.00 0.00 C ATOM 1460 C GLU A 92 -8.976 6.990 3.148 1.00 0.00 C ATOM 1461 O GLU A 92 -8.259 7.285 2.199 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.551 6.913 3.288 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.104 7.777 2.146 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.245 7.089 1.391 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.221 5.841 1.280 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -14.156 7.832 0.976 1.00 0.00 O ATOM 0 H GLU A 92 -10.152 5.327 4.805 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.305 5.915 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.309 6.186 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.366 7.548 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.460 8.725 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.299 8.010 1.449 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.670 7.343 4.407 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.521 8.136 4.835 1.00 0.00 C ATOM 1475 C ASP A 93 -6.230 7.602 4.234 1.00 0.00 C ATOM 1476 O ASP A 93 -5.499 8.350 3.589 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.393 8.187 6.369 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.578 8.753 7.134 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.203 9.708 6.617 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.831 8.242 8.243 1.00 0.00 O ATOM 0 H ASP A 93 -9.256 7.063 5.194 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.692 9.150 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.208 7.175 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.513 8.780 6.618 1.00 0.00 H new ATOM 1485 N LEU A 94 -5.921 6.322 4.438 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.671 5.773 3.935 1.00 0.00 C ATOM 1487 C LEU A 94 -4.639 5.890 2.416 1.00 0.00 C ATOM 1488 O LEU A 94 -3.674 6.375 1.827 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.505 4.309 4.349 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.444 4.043 5.864 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.386 2.967 6.087 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.091 5.253 6.727 1.00 0.00 C ATOM 0 H LEU A 94 -6.511 5.658 4.940 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.846 6.341 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.334 3.737 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.592 3.924 3.895 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.447 3.749 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.310 2.747 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.668 2.062 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.423 3.322 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.074 4.959 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.109 5.630 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.837 6.034 6.581 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.752 5.514 1.789 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.925 5.566 0.353 1.00 0.00 C ATOM 1506 C ILE A 95 -5.979 7.026 -0.133 1.00 0.00 C ATOM 1507 O ILE A 95 -5.975 7.255 -1.339 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.130 4.670 -0.034 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.762 3.184 0.174 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.559 4.843 -1.497 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.194 2.591 1.516 1.00 0.00 C ATOM 0 H ILE A 95 -6.571 5.159 2.282 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.067 5.152 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.958 4.975 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.214 2.598 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.682 3.076 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.406 4.190 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.848 5.880 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.728 4.582 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.891 1.545 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.722 3.145 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.278 2.660 1.612 1.00 0.00 H new ATOM 1523 N ALA A 96 -5.947 8.019 0.769 1.00 0.00 N ATOM 1524 CA ALA A 96 -5.903 9.421 0.407 1.00 0.00 C ATOM 1525 C ALA A 96 -4.451 9.880 0.481 1.00 0.00 C ATOM 1526 O ALA A 96 -3.938 10.447 -0.482 1.00 0.00 O ATOM 1527 CB ALA A 96 -6.835 10.216 1.325 1.00 0.00 C ATOM 0 H ALA A 96 -5.951 7.857 1.776 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.258 9.588 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.802 11.271 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.854 9.846 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.514 10.098 2.360 1.00 0.00 H new ATOM 1533 N TYR A 97 -3.758 9.580 1.588 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.333 9.863 1.702 1.00 0.00 C ATOM 1535 C TYR A 97 -1.585 9.277 0.520 1.00 0.00 C ATOM 1536 O TYR A 97 -0.851 9.983 -0.163 1.00 0.00 O ATOM 1537 CB TYR A 97 -1.717 9.285 2.981 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.179 9.320 3.008 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.499 10.432 2.476 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.586 8.222 3.459 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.903 10.496 2.470 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.996 8.250 3.370 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.657 9.394 2.898 1.00 0.00 C ATOM 1544 OH TYR A 97 4.016 9.438 2.789 1.00 0.00 O ATOM 0 H TYR A 97 -4.167 9.142 2.413 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.239 10.949 1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.098 9.840 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.049 8.253 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.070 11.252 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.091 7.357 3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.401 11.394 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.569 7.384 3.668 1.00 0.00 H new ATOM 0 HH TYR A 97 4.381 8.533 2.881 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.739 7.975 0.288 1.00 0.00 N ATOM 1555 CA LEU A 98 -0.935 7.322 -0.732 1.00 0.00 C ATOM 1556 C LEU A 98 -1.212 7.907 -2.115 1.00 0.00 C ATOM 1557 O LEU A 98 -0.351 7.835 -2.991 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.111 5.807 -0.667 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.778 5.256 0.729 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.023 3.748 0.734 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.640 5.572 1.213 1.00 0.00 C ATOM 0 H LEU A 98 -2.395 7.368 0.780 1.00 0.00 H new ATOM 0 HA LEU A 98 0.118 7.520 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.138 5.548 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.467 5.334 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.436 5.762 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.790 3.345 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.068 3.548 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.386 3.273 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.789 5.146 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.365 5.143 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.777 6.652 1.257 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.366 8.562 -2.280 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.773 9.189 -3.527 1.00 0.00 C ATOM 1575 C LYS A 99 -1.943 10.434 -3.846 1.00 0.00 C ATOM 1576 O LYS A 99 -2.022 10.940 -4.962 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.275 9.508 -3.459 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.981 9.311 -4.809 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.390 8.725 -4.623 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.486 9.782 -4.455 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.986 10.233 -5.770 1.00 0.00 N ATOM 0 H LYS A 99 -3.051 8.669 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.590 8.493 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.745 8.870 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.410 10.538 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.048 10.266 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.389 8.646 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.630 8.101 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.389 8.074 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.308 9.370 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.094 10.633 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.704 10.973 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.197 10.615 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.410 9.429 -6.275 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.157 10.918 -2.877 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.184 11.984 -3.043 1.00 0.00 C ATOM 1597 C LYS A 100 1.227 11.430 -2.831 1.00 0.00 C ATOM 1598 O LYS A 100 2.137 11.853 -3.533 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.540 13.197 -2.159 1.00 0.00 C ATOM 1600 CG LYS A 100 0.093 13.239 -0.759 1.00 0.00 C ATOM 1601 CD LYS A 100 1.580 13.635 -0.805 1.00 0.00 C ATOM 1602 CE LYS A 100 1.892 14.927 -0.039 1.00 0.00 C ATOM 1603 NZ LYS A 100 3.337 15.227 -0.080 1.00 0.00 N ATOM 0 H LYS A 100 -1.189 10.559 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.210 12.366 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.250 14.103 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.623 13.228 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.451 13.950 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.006 12.261 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.177 12.823 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.884 13.756 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.332 15.756 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.566 14.829 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.518 16.131 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.863 14.469 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.650 15.293 -1.070 1.00 0.00 H new ATOM 1617 N ALA A 101 1.428 10.495 -1.888 1.00 0.00 N ATOM 1618 CA ALA A 101 2.728 9.885 -1.616 1.00 0.00 C ATOM 1619 C ALA A 101 3.317 9.305 -2.898 1.00 0.00 C ATOM 1620 O ALA A 101 4.478 9.528 -3.226 1.00 0.00 O ATOM 1621 CB ALA A 101 2.600 8.777 -0.567 1.00 0.00 C ATOM 0 H ALA A 101 0.681 10.142 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 101 3.391 10.660 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.580 8.337 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.208 9.197 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.920 8.007 -0.932 1.00 0.00 H new ATOM 1627 N THR A 102 2.457 8.607 -3.648 1.00 0.00 N ATOM 1628 CA THR A 102 2.738 8.031 -4.957 1.00 0.00 C ATOM 1629 C THR A 102 3.332 9.024 -5.963 1.00 0.00 C ATOM 1630 O THR A 102 3.702 8.611 -7.063 1.00 0.00 O ATOM 1631 CB THR A 102 1.421 7.469 -5.502 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.642 6.718 -6.677 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.425 8.599 -5.805 1.00 0.00 C ATOM 0 H THR A 102 1.502 8.423 -3.339 1.00 0.00 H new ATOM 0 HA THR A 102 3.497 7.259 -4.827 1.00 0.00 H new ATOM 0 HB THR A 102 1.002 6.819 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.439 7.056 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.502 8.174 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.216 9.155 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.853 9.271 -6.549 1.00 0.00 H new ATOM 1641 N ASN A 103 3.317 10.322 -5.652 1.00 0.00 N ATOM 1642 CA ASN A 103 3.902 11.368 -6.461 1.00 0.00 C ATOM 1643 C ASN A 103 4.391 12.539 -5.604 1.00 0.00 C ATOM 1644 O ASN A 103 4.287 13.684 -6.050 1.00 0.00 O ATOM 1645 CB ASN A 103 2.861 11.811 -7.492 1.00 0.00 C ATOM 1646 CG ASN A 103 1.567 12.355 -6.881 1.00 0.00 C ATOM 1647 OD1 ASN A 103 0.534 11.697 -6.927 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.593 13.563 -6.329 1.00 0.00 N ATOM 0 H ASN A 103 2.881 10.675 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 103 4.784 10.987 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.300 12.579 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.619 10.964 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.742 13.961 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.464 14.093 -6.302 1.00 0.00 H new ATOM 1655 N GLU A 104 4.894 12.275 -4.394 1.00 0.00 N ATOM 1656 CA GLU A 104 5.512 13.327 -3.590 1.00 0.00 C ATOM 1657 C GLU A 104 7.003 13.475 -3.894 1.00 0.00 C ATOM 1658 O GLU A 104 7.555 12.571 -4.561 1.00 0.00 O ATOM 1659 CB GLU A 104 5.173 13.224 -2.094 1.00 0.00 C ATOM 1660 CG GLU A 104 5.850 12.158 -1.214 1.00 0.00 C ATOM 1661 CD GLU A 104 5.610 12.470 0.260 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.499 12.975 0.554 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.542 12.269 1.060 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.553 14.521 -3.482 1.00 0.00 O ATOM 0 H GLU A 104 4.885 11.354 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 104 5.059 14.270 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.388 14.195 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.097 13.069 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.455 11.171 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.920 12.131 -1.419 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.795 -3.498 2.771 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.503 -4.729 -0.497 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.011 -0.925 1.495 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.968 -2.686 5.999 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.940 -5.995 4.031 1.00 0.00 C HETATM 1677 NA HEC A 105 1.307 -2.947 0.838 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.715 -3.567 -0.331 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.199 -2.767 -1.420 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.497 -1.706 -0.877 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.583 -1.819 0.566 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.269 -0.664 -1.668 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.377 -3.055 -2.892 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.797 -2.803 -3.413 1.00 0.00 C HETATM 1685 CGA HEC A 105 2.907 -3.071 -4.907 1.00 0.00 C HETATM 1686 O1A HEC A 105 2.373 -4.107 -5.359 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.484 -2.228 -5.621 1.00 0.00 O HETATM 1688 NB HEC A 105 0.693 -2.068 3.601 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.066 -1.093 2.894 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.544 -0.207 3.861 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.323 -0.732 5.122 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.488 -1.907 4.946 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.219 1.094 3.526 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.865 -0.239 6.454 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.379 -0.410 6.555 1.00 0.00 C HETATM 1696 NC HEC A 105 2.327 -4.230 4.665 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.856 -3.724 5.825 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.477 -4.430 6.914 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.425 -5.258 6.362 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.239 -5.208 4.930 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.225 -4.177 8.378 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.622 -5.864 7.067 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.316 -7.118 7.886 1.00 0.00 C HETATM 1704 ND HEC A 105 2.998 -5.087 1.920 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.770 -5.933 2.656 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.450 -6.817 1.751 1.00 0.00 C HETATM 1707 C3D HEC A 105 3.981 -6.556 0.484 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.105 -5.399 0.582 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.488 -7.833 2.164 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.368 -7.334 -0.758 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.185 -7.835 -1.602 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.064 -9.357 -1.769 1.00 0.00 C HETATM 1713 O1D HEC A 105 4.056 -10.109 -1.635 1.00 0.00 O HETATM 1714 O2D HEC A 105 1.926 -9.780 -2.044 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.326 -7.324 2.640 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.046 -8.540 2.866 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.842 -8.370 1.284 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.490 -3.148 8.620 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.170 -4.341 8.599 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.832 -4.858 8.975 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.504 1.761 3.045 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.053 0.907 2.850 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.590 1.558 4.440 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.414 -0.141 -2.338 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.049 -1.152 -2.253 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.724 0.051 -0.983 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.263 -7.466 -1.152 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.258 -7.387 -2.593 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.585 -6.879 8.658 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.913 -7.891 7.231 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.232 -7.480 8.353 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.863 0.158 5.760 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.634 -1.465 6.454 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.723 -0.045 7.523 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.082 -1.771 -3.207 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.499 -3.441 -2.877 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.000 -6.702 -1.383 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 4.971 -8.191 -0.459 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.111 -4.095 -3.082 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.679 -2.439 -3.459 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.667 -6.704 4.427 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.623 -2.462 7.009 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.507 -0.048 1.107 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.650 -5.121 -1.503 1.00 0.00 H new