USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot -131:sc= 1.22 USER MOD Set 1.2: A 110 HEC O2D : rot -110:sc= 1.12 USER MOD Set 2.1: A 52 ASN : amide:sc= 1.34 K(o=1.6,f=-2.5!) USER MOD Set 2.2: A 67 TYR OH : rot 112:sc= 0.109 USER MOD Set 2.3: A 110 HEC O2A : rot 171:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.148 (180deg=0.00257) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0373) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.418) USER MOD Single : A 12 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= -0.0457 (180deg=-0.563) USER MOD Single : A 16 GLN : amide:sc= -0.0138 K(o=-0.014,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.028 K(o=-0.028,f=-4.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0931 K(o=-0.093,f=-0.82) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 101:sc= 0.437 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.17) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.125 (180deg=-0.512) USER MOD Single : A 58 THR OG1 : rot 38:sc= 0.83 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.05) USER MOD Single : A 63 THR OG1 : rot -4:sc= 0.929 USER MOD Single : A 65 MET CE :methyl -107:sc=-0.00924 (180deg=-0.719) USER MOD Single : A 70 ASN : amide:sc= 0.512 K(o=0.51,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.516) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -1.09 (180deg=-2.46!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= -0.0486 (180deg=-0.121) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -137:sc= 0.82 (180deg=-0.0714) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.24 USER MOD Single : A 103 ASN : amide:sc=-0.00317 X(o=-0.0032,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.630 -4.459 -15.556 1.00 10.00 N ATOM 2 CA GLY A 1 -4.281 -4.235 -15.082 1.00 10.00 C ATOM 3 C GLY A 1 -3.604 -5.589 -15.223 1.00 10.00 C ATOM 4 O GLY A 1 -4.252 -6.603 -14.967 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.287 -3.840 -15.039 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.681 -4.245 -16.573 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.893 -5.453 -15.398 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.773 -3.473 -15.673 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.275 -3.893 -14.047 1.00 10.00 H new ATOM 10 N ASP A 2 -2.389 -5.618 -15.742 1.00 10.00 N ATOM 11 CA ASP A 2 -1.610 -6.836 -15.892 1.00 10.00 C ATOM 12 C ASP A 2 -1.194 -7.383 -14.525 1.00 10.00 C ATOM 13 O ASP A 2 -0.411 -6.750 -13.821 1.00 10.00 O ATOM 14 CB ASP A 2 -0.343 -6.580 -16.713 1.00 10.00 C ATOM 15 CG ASP A 2 0.373 -7.891 -16.990 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.199 -8.953 -16.659 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.547 -7.814 -17.411 1.00 10.00 O ATOM 0 H ASP A 2 -1.908 -4.783 -16.076 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.240 -7.561 -16.407 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.602 -6.092 -17.653 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.319 -5.902 -16.174 1.00 10.00 H new ATOM 22 N VAL A 3 -1.665 -8.575 -14.154 1.00 10.00 N ATOM 23 CA VAL A 3 -1.173 -9.253 -12.963 1.00 10.00 C ATOM 24 C VAL A 3 0.316 -9.589 -13.109 1.00 10.00 C ATOM 25 O VAL A 3 1.061 -9.492 -12.132 1.00 10.00 O ATOM 26 CB VAL A 3 -2.039 -10.490 -12.645 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.541 -11.231 -11.390 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.507 -10.083 -12.449 1.00 10.00 C ATOM 0 H VAL A 3 -2.386 -9.087 -14.663 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.260 -8.582 -12.108 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.957 -11.166 -13.496 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.178 -12.095 -11.201 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.515 -11.564 -11.547 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.577 -10.559 -10.532 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.103 -10.968 -12.226 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.581 -9.377 -11.622 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.880 -9.615 -13.360 1.00 10.00 H new ATOM 38 N GLU A 4 0.774 -9.962 -14.310 1.00 10.00 N ATOM 39 CA GLU A 4 2.176 -10.299 -14.502 1.00 10.00 C ATOM 40 C GLU A 4 3.028 -9.068 -14.223 1.00 10.00 C ATOM 41 O GLU A 4 3.839 -9.066 -13.297 1.00 10.00 O ATOM 42 CB GLU A 4 2.433 -10.829 -15.916 1.00 10.00 C ATOM 43 CG GLU A 4 2.353 -12.357 -15.998 1.00 10.00 C ATOM 44 CD GLU A 4 3.714 -12.987 -15.738 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.400 -12.496 -14.813 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.101 -13.892 -16.503 1.00 10.00 O ATOM 0 H GLU A 4 0.198 -10.035 -15.148 1.00 10.00 H new ATOM 0 HA GLU A 4 2.447 -11.093 -13.806 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.705 -10.394 -16.601 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.418 -10.502 -16.249 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.631 -12.727 -15.270 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.993 -12.654 -16.983 1.00 10.00 H new ATOM 53 N LYS A 5 2.864 -8.005 -15.009 1.00 10.00 N ATOM 54 CA LYS A 5 3.623 -6.799 -14.768 1.00 10.00 C ATOM 55 C LYS A 5 3.384 -6.305 -13.353 1.00 10.00 C ATOM 56 O LYS A 5 4.352 -5.979 -12.683 1.00 10.00 O ATOM 57 CB LYS A 5 3.408 -5.720 -15.833 1.00 10.00 C ATOM 58 CG LYS A 5 4.295 -5.988 -17.057 1.00 10.00 C ATOM 59 CD LYS A 5 4.621 -4.693 -17.821 1.00 10.00 C ATOM 60 CE LYS A 5 3.699 -4.491 -19.026 1.00 10.00 C ATOM 61 NZ LYS A 5 4.042 -5.410 -20.131 1.00 10.00 N ATOM 0 H LYS A 5 2.223 -7.962 -15.801 1.00 10.00 H new ATOM 0 HA LYS A 5 4.680 -7.050 -14.858 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.360 -5.701 -16.133 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.639 -4.739 -15.417 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.222 -6.464 -16.737 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.791 -6.687 -17.725 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.529 -3.841 -17.147 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.657 -4.722 -18.158 1.00 10.00 H new ATOM 0 HE2 LYS A 5 2.664 -4.653 -18.725 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.772 -3.460 -19.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.517 -5.136 -20.986 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.063 -5.359 -20.321 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.788 -6.383 -19.865 1.00 10.00 H new ATOM 75 N GLY A 6 2.150 -6.321 -12.855 1.00 10.00 N ATOM 76 CA GLY A 6 1.868 -5.922 -11.489 1.00 10.00 C ATOM 77 C GLY A 6 2.764 -6.626 -10.461 1.00 10.00 C ATOM 78 O GLY A 6 3.264 -5.993 -9.526 1.00 10.00 O ATOM 0 H GLY A 6 1.328 -6.609 -13.386 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.997 -4.844 -11.397 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.824 -6.138 -11.261 1.00 10.00 H new ATOM 82 N LYS A 7 2.982 -7.934 -10.642 1.00 10.00 N ATOM 83 CA LYS A 7 3.806 -8.750 -9.775 1.00 10.00 C ATOM 84 C LYS A 7 5.212 -8.177 -9.786 1.00 10.00 C ATOM 85 O LYS A 7 5.783 -7.860 -8.742 1.00 10.00 O ATOM 86 CB LYS A 7 3.740 -10.206 -10.269 1.00 10.00 C ATOM 87 CG LYS A 7 4.493 -11.193 -9.371 1.00 10.00 C ATOM 88 CD LYS A 7 4.374 -12.607 -9.965 1.00 10.00 C ATOM 89 CE LYS A 7 4.307 -13.670 -8.859 1.00 10.00 C ATOM 90 NZ LYS A 7 4.227 -15.041 -9.408 1.00 10.00 N ATOM 0 H LYS A 7 2.575 -8.457 -11.418 1.00 10.00 H new ATOM 0 HA LYS A 7 3.456 -8.744 -8.743 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.696 -10.512 -10.335 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.152 -10.258 -11.277 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.541 -10.905 -9.293 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.081 -11.173 -8.362 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.481 -12.669 -10.587 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.228 -12.805 -10.612 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.188 -13.586 -8.222 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.438 -13.482 -8.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.184 -15.726 -8.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.373 -15.131 -9.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.068 -15.232 -9.989 1.00 10.00 H new ATOM 104 N LYS A 8 5.763 -8.028 -10.988 1.00 10.00 N ATOM 105 CA LYS A 8 7.121 -7.550 -11.123 1.00 10.00 C ATOM 106 C LYS A 8 7.238 -6.107 -10.614 1.00 10.00 C ATOM 107 O LYS A 8 8.205 -5.780 -9.938 1.00 10.00 O ATOM 108 CB LYS A 8 7.639 -7.730 -12.557 1.00 10.00 C ATOM 109 CG LYS A 8 8.088 -9.169 -12.881 1.00 10.00 C ATOM 110 CD LYS A 8 6.984 -10.222 -12.698 1.00 10.00 C ATOM 111 CE LYS A 8 7.239 -11.508 -13.499 1.00 10.00 C ATOM 112 NZ LYS A 8 6.711 -11.422 -14.876 1.00 10.00 N ATOM 0 H LYS A 8 5.290 -8.231 -11.869 1.00 10.00 H new ATOM 0 HA LYS A 8 7.771 -8.159 -10.494 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.855 -7.438 -13.256 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.478 -7.053 -12.718 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.444 -9.205 -13.911 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.933 -9.428 -12.243 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.899 -10.471 -11.640 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.029 -9.795 -13.003 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.310 -11.706 -13.534 1.00 10.00 H new ATOM 0 HE3 LYS A 8 6.776 -12.351 -12.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 7.192 -12.122 -15.477 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 5.689 -11.616 -14.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 6.879 -10.468 -15.253 1.00 10.00 H new ATOM 126 N ILE A 9 6.255 -5.247 -10.885 1.00 10.00 N ATOM 127 CA ILE A 9 6.211 -3.883 -10.398 1.00 10.00 C ATOM 128 C ILE A 9 6.340 -3.910 -8.880 1.00 10.00 C ATOM 129 O ILE A 9 7.285 -3.334 -8.358 1.00 10.00 O ATOM 130 CB ILE A 9 4.939 -3.168 -10.897 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.055 -2.867 -12.405 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.708 -1.848 -10.155 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.763 -2.294 -12.998 1.00 10.00 C ATOM 0 H ILE A 9 5.452 -5.493 -11.464 1.00 10.00 H new ATOM 0 HA ILE A 9 7.044 -3.302 -10.793 1.00 10.00 H new ATOM 0 HB ILE A 9 4.098 -3.834 -10.706 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.869 -2.160 -12.568 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.317 -3.783 -12.934 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.803 -1.372 -10.533 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.597 -2.045 -9.089 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.560 -1.187 -10.315 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.905 -2.102 -14.062 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.952 -3.010 -12.863 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.512 -1.362 -12.491 1.00 10.00 H new ATOM 145 N PHE A 10 5.446 -4.594 -8.160 1.00 10.00 N ATOM 146 CA PHE A 10 5.550 -4.678 -6.703 1.00 10.00 C ATOM 147 C PHE A 10 6.986 -5.027 -6.266 1.00 10.00 C ATOM 148 O PHE A 10 7.556 -4.383 -5.378 1.00 10.00 O ATOM 149 CB PHE A 10 4.526 -5.690 -6.181 1.00 10.00 C ATOM 150 CG PHE A 10 4.504 -5.818 -4.672 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.691 -4.966 -3.900 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.329 -6.764 -4.034 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.659 -5.101 -2.502 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.330 -6.867 -2.633 1.00 10.00 C ATOM 155 CZ PHE A 10 4.470 -6.058 -1.871 1.00 10.00 C ATOM 0 H PHE A 10 4.650 -5.092 -8.558 1.00 10.00 H new ATOM 0 HA PHE A 10 5.325 -3.705 -6.267 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.534 -5.399 -6.526 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.741 -6.666 -6.616 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.092 -4.208 -4.383 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.962 -7.411 -4.623 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.011 -4.469 -1.913 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.990 -7.567 -2.142 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.433 -6.173 -0.798 1.00 10.00 H new ATOM 165 N VAL A 11 7.581 -6.014 -6.948 1.00 10.00 N ATOM 166 CA VAL A 11 8.937 -6.497 -6.701 1.00 10.00 C ATOM 167 C VAL A 11 10.020 -5.470 -7.089 1.00 10.00 C ATOM 168 O VAL A 11 11.129 -5.502 -6.560 1.00 10.00 O ATOM 169 CB VAL A 11 9.142 -7.845 -7.415 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.552 -8.410 -7.196 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.140 -8.891 -6.910 1.00 10.00 C ATOM 0 H VAL A 11 7.115 -6.510 -7.708 1.00 10.00 H new ATOM 0 HA VAL A 11 9.050 -6.644 -5.627 1.00 10.00 H new ATOM 0 HB VAL A 11 8.992 -7.647 -8.476 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.648 -9.361 -7.719 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.290 -7.707 -7.583 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.721 -8.563 -6.130 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.306 -9.834 -7.430 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.277 -9.038 -5.839 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.125 -8.544 -7.102 1.00 10.00 H new ATOM 181 N GLN A 12 9.735 -4.579 -8.037 1.00 10.00 N ATOM 182 CA GLN A 12 10.663 -3.573 -8.547 1.00 10.00 C ATOM 183 C GLN A 12 10.393 -2.188 -7.953 1.00 10.00 C ATOM 184 O GLN A 12 11.131 -1.239 -8.223 1.00 10.00 O ATOM 185 CB GLN A 12 10.560 -3.550 -10.073 1.00 10.00 C ATOM 186 CG GLN A 12 11.049 -4.877 -10.676 1.00 10.00 C ATOM 187 CD GLN A 12 12.568 -4.983 -10.701 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.201 -4.647 -11.696 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.170 -5.460 -9.615 1.00 10.00 N ATOM 0 H GLN A 12 8.820 -4.537 -8.486 1.00 10.00 H new ATOM 0 HA GLN A 12 11.676 -3.839 -8.247 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.526 -3.370 -10.369 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.153 -2.726 -10.469 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.640 -5.707 -10.100 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.665 -4.974 -11.691 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.616 -5.731 -8.802 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.185 -5.555 -9.595 1.00 10.00 H new ATOM 198 N LYS A 13 9.321 -2.052 -7.172 1.00 10.00 N ATOM 199 CA LYS A 13 8.922 -0.799 -6.568 1.00 10.00 C ATOM 200 C LYS A 13 9.044 -0.831 -5.048 1.00 10.00 C ATOM 201 O LYS A 13 9.594 0.112 -4.483 1.00 10.00 O ATOM 202 CB LYS A 13 7.491 -0.460 -6.976 1.00 10.00 C ATOM 203 CG LYS A 13 7.313 -0.191 -8.478 1.00 10.00 C ATOM 204 CD LYS A 13 8.247 0.835 -9.142 1.00 10.00 C ATOM 205 CE LYS A 13 8.496 2.129 -8.346 1.00 10.00 C ATOM 206 NZ LYS A 13 9.941 2.373 -8.142 1.00 10.00 N ATOM 0 H LYS A 13 8.701 -2.828 -6.943 1.00 10.00 H new ATOM 0 HA LYS A 13 9.599 -0.026 -6.931 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.837 -1.282 -6.685 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.165 0.419 -6.419 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.430 -1.139 -9.003 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.286 0.138 -8.639 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.208 0.356 -9.329 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.830 1.103 -10.113 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.055 2.973 -8.876 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.997 2.064 -7.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.131 3.395 -8.189 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.226 2.010 -7.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 10.483 1.886 -8.884 1.00 10.00 H new ATOM 220 N CYS A 14 8.485 -1.856 -4.396 1.00 10.00 N ATOM 221 CA CYS A 14 8.299 -1.860 -2.948 1.00 10.00 C ATOM 222 C CYS A 14 9.129 -2.993 -2.322 1.00 10.00 C ATOM 223 O CYS A 14 10.035 -2.730 -1.538 1.00 10.00 O ATOM 224 CB CYS A 14 6.820 -1.915 -2.580 1.00 10.00 C ATOM 225 SG CYS A 14 5.633 -1.567 -3.945 1.00 10.00 S ATOM 0 H CYS A 14 8.151 -2.702 -4.859 1.00 10.00 H new ATOM 0 HA CYS A 14 8.667 -0.923 -2.530 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.602 -2.905 -2.180 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.639 -1.200 -1.777 1.00 10.00 H new ATOM 230 N ALA A 15 8.819 -4.241 -2.689 1.00 10.00 N ATOM 231 CA ALA A 15 9.477 -5.496 -2.321 1.00 10.00 C ATOM 232 C ALA A 15 10.235 -5.536 -0.989 1.00 10.00 C ATOM 233 O ALA A 15 9.715 -6.052 -0.004 1.00 10.00 O ATOM 234 CB ALA A 15 10.341 -5.979 -3.487 1.00 10.00 C ATOM 0 H ALA A 15 8.027 -4.412 -3.309 1.00 10.00 H new ATOM 0 HA ALA A 15 8.658 -6.188 -2.126 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.831 -6.913 -3.214 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.713 -6.141 -4.363 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.096 -5.227 -3.717 1.00 10.00 H new ATOM 240 N GLN A 16 11.475 -5.049 -0.917 1.00 10.00 N ATOM 241 CA GLN A 16 12.231 -5.015 0.324 1.00 10.00 C ATOM 242 C GLN A 16 11.721 -3.869 1.211 1.00 10.00 C ATOM 243 O GLN A 16 12.472 -2.975 1.593 1.00 10.00 O ATOM 244 CB GLN A 16 13.733 -4.932 0.020 1.00 10.00 C ATOM 245 CG GLN A 16 14.320 -6.252 -0.513 1.00 10.00 C ATOM 246 CD GLN A 16 14.098 -6.475 -2.006 1.00 10.00 C ATOM 247 OE1 GLN A 16 13.763 -5.555 -2.743 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.298 -7.706 -2.473 1.00 10.00 N ATOM 0 H GLN A 16 11.978 -4.669 -1.719 1.00 10.00 H new ATOM 0 HA GLN A 16 12.081 -5.936 0.887 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.905 -4.144 -0.713 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.265 -4.646 0.927 1.00 10.00 H new ATOM 0 HG2 GLN A 16 15.391 -6.269 -0.309 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.877 -7.082 0.037 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.577 -8.454 -1.837 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.173 -7.901 -3.466 1.00 10.00 H new ATOM 257 N CYS A 17 10.439 -3.947 1.574 1.00 10.00 N ATOM 258 CA CYS A 17 9.745 -3.094 2.525 1.00 10.00 C ATOM 259 C CYS A 17 8.392 -3.732 2.846 1.00 10.00 C ATOM 260 O CYS A 17 8.050 -3.882 4.020 1.00 10.00 O ATOM 261 CB CYS A 17 9.595 -1.669 2.030 1.00 10.00 C ATOM 262 SG CYS A 17 8.631 -0.791 3.298 1.00 10.00 S ATOM 0 H CYS A 17 9.822 -4.658 1.181 1.00 10.00 H new ATOM 0 HA CYS A 17 10.342 -3.019 3.434 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.569 -1.201 1.888 1.00 10.00 H new ATOM 0 HB3 CYS A 17 9.086 -1.643 1.066 1.00 10.00 H new ATOM 267 N HIS A 18 7.642 -4.119 1.805 1.00 10.00 N ATOM 268 CA HIS A 18 6.310 -4.691 1.938 1.00 10.00 C ATOM 269 C HIS A 18 6.312 -6.143 1.515 1.00 10.00 C ATOM 270 O HIS A 18 7.237 -6.637 0.883 1.00 10.00 O ATOM 271 CB HIS A 18 5.320 -3.938 1.054 1.00 10.00 C ATOM 272 CG HIS A 18 4.679 -2.773 1.738 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.707 -2.832 2.714 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.687 -1.513 1.230 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.131 -1.617 2.769 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.720 -0.768 1.896 1.00 10.00 N ATOM 0 H HIS A 18 7.954 -4.039 0.837 1.00 10.00 H new ATOM 0 HA HIS A 18 6.015 -4.610 2.984 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.837 -3.586 0.161 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.543 -4.627 0.722 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.470 -3.643 3.286 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.333 -1.152 0.444 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.311 -1.356 3.421 1.00 10.00 H new ATOM 284 N THR A 19 5.253 -6.858 1.864 1.00 10.00 N ATOM 285 CA THR A 19 5.084 -8.234 1.462 1.00 10.00 C ATOM 286 C THR A 19 3.594 -8.452 1.226 1.00 10.00 C ATOM 287 O THR A 19 2.781 -7.836 1.913 1.00 10.00 O ATOM 288 CB THR A 19 5.669 -9.123 2.564 1.00 10.00 C ATOM 289 OG1 THR A 19 7.034 -8.818 2.807 1.00 10.00 O ATOM 290 CG2 THR A 19 5.566 -10.567 2.113 1.00 10.00 C ATOM 0 H THR A 19 4.490 -6.494 2.434 1.00 10.00 H new ATOM 0 HA THR A 19 5.608 -8.486 0.540 1.00 10.00 H new ATOM 0 HB THR A 19 5.112 -8.952 3.485 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.378 -9.401 3.516 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.977 -11.219 2.884 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.520 -10.821 1.943 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.127 -10.700 1.188 1.00 10.00 H new ATOM 298 N VAL A 20 3.230 -9.275 0.240 1.00 10.00 N ATOM 299 CA VAL A 20 1.842 -9.578 -0.071 1.00 10.00 C ATOM 300 C VAL A 20 1.675 -11.087 -0.222 1.00 10.00 C ATOM 301 O VAL A 20 1.260 -11.572 -1.269 1.00 10.00 O ATOM 302 CB VAL A 20 1.356 -8.802 -1.308 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.208 -7.328 -0.950 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.280 -8.941 -2.520 1.00 10.00 C ATOM 0 H VAL A 20 3.899 -9.750 -0.366 1.00 10.00 H new ATOM 0 HA VAL A 20 1.209 -9.247 0.753 1.00 10.00 H new ATOM 0 HB VAL A 20 0.398 -9.235 -1.595 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.864 -6.774 -1.823 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.483 -7.221 -0.143 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.171 -6.934 -0.627 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.875 -8.368 -3.354 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.271 -8.563 -2.267 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.354 -9.991 -2.803 1.00 10.00 H new ATOM 314 N GLU A 21 2.030 -11.821 0.832 1.00 10.00 N ATOM 315 CA GLU A 21 1.902 -13.264 0.890 1.00 10.00 C ATOM 316 C GLU A 21 1.493 -13.681 2.300 1.00 10.00 C ATOM 317 O GLU A 21 1.676 -12.924 3.259 1.00 10.00 O ATOM 318 CB GLU A 21 3.220 -13.920 0.461 1.00 10.00 C ATOM 319 CG GLU A 21 4.382 -13.619 1.427 1.00 10.00 C ATOM 320 CD GLU A 21 5.036 -14.872 1.995 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.283 -15.830 2.271 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.270 -14.827 2.181 1.00 10.00 O ATOM 0 H GLU A 21 2.421 -11.415 1.682 1.00 10.00 H new ATOM 0 HA GLU A 21 1.127 -13.600 0.201 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.079 -14.999 0.396 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.485 -13.572 -0.537 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.136 -13.030 0.905 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.012 -13.007 2.249 1.00 10.00 H new ATOM 329 N LYS A 22 0.990 -14.907 2.435 1.00 10.00 N ATOM 330 CA LYS A 22 0.505 -15.459 3.693 1.00 10.00 C ATOM 331 C LYS A 22 1.627 -15.915 4.643 1.00 10.00 C ATOM 332 O LYS A 22 1.450 -16.850 5.420 1.00 10.00 O ATOM 333 CB LYS A 22 -0.547 -16.537 3.378 1.00 10.00 C ATOM 334 CG LYS A 22 -0.025 -17.787 2.646 1.00 10.00 C ATOM 335 CD LYS A 22 0.395 -18.899 3.624 1.00 10.00 C ATOM 336 CE LYS A 22 -0.113 -20.285 3.205 1.00 10.00 C ATOM 337 NZ LYS A 22 0.457 -20.731 1.917 1.00 10.00 N ATOM 0 H LYS A 22 0.908 -15.557 1.653 1.00 10.00 H new ATOM 0 HA LYS A 22 0.022 -14.670 4.269 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -1.008 -16.853 4.314 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -1.333 -16.086 2.772 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.799 -18.165 1.979 1.00 10.00 H new ATOM 0 HG3 LYS A 22 0.826 -17.512 2.023 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.482 -18.922 3.695 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.016 -18.664 4.618 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.137 -21.010 3.980 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.200 -20.262 3.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.083 -21.672 1.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.197 -20.056 1.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 1.493 -20.780 1.994 1.00 10.00 H new ATOM 351 N GLY A 23 2.766 -15.223 4.618 1.00 10.00 N ATOM 352 CA GLY A 23 3.929 -15.471 5.458 1.00 10.00 C ATOM 353 C GLY A 23 4.764 -14.198 5.596 1.00 10.00 C ATOM 354 O GLY A 23 5.976 -14.251 5.812 1.00 10.00 O ATOM 0 H GLY A 23 2.905 -14.439 3.981 1.00 10.00 H new ATOM 0 HA2 GLY A 23 3.609 -15.813 6.442 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.535 -16.267 5.026 1.00 10.00 H new ATOM 358 N GLY A 24 4.110 -13.037 5.484 1.00 10.00 N ATOM 359 CA GLY A 24 4.767 -11.750 5.586 1.00 10.00 C ATOM 360 C GLY A 24 5.477 -11.580 6.925 1.00 10.00 C ATOM 361 O GLY A 24 4.907 -11.872 7.972 1.00 10.00 O ATOM 0 H GLY A 24 3.105 -12.974 5.319 1.00 10.00 H new ATOM 0 HA2 GLY A 24 5.489 -11.645 4.776 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.031 -10.956 5.462 1.00 10.00 H new ATOM 365 N LYS A 25 6.725 -11.103 6.884 1.00 10.00 N ATOM 366 CA LYS A 25 7.593 -11.028 8.056 1.00 10.00 C ATOM 367 C LYS A 25 7.538 -9.650 8.727 1.00 10.00 C ATOM 368 O LYS A 25 7.811 -9.549 9.917 1.00 10.00 O ATOM 369 CB LYS A 25 9.021 -11.448 7.672 1.00 10.00 C ATOM 370 CG LYS A 25 9.001 -12.837 7.010 1.00 10.00 C ATOM 371 CD LYS A 25 10.401 -13.358 6.638 1.00 10.00 C ATOM 372 CE LYS A 25 10.839 -14.562 7.493 1.00 10.00 C ATOM 373 NZ LYS A 25 11.681 -15.509 6.730 1.00 10.00 N ATOM 0 H LYS A 25 7.161 -10.757 6.029 1.00 10.00 H new ATOM 0 HA LYS A 25 7.228 -11.729 8.807 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.453 -10.717 6.989 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.654 -11.468 8.559 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.525 -13.547 7.687 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.387 -12.794 6.111 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.409 -13.644 5.586 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.126 -12.553 6.755 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.391 -14.207 8.363 1.00 10.00 H new ATOM 0 HE3 LYS A 25 9.956 -15.082 7.866 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.953 -16.304 7.343 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.146 -15.869 5.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.536 -15.021 6.396 1.00 10.00 H new ATOM 387 N HIS A 26 7.169 -8.614 7.959 1.00 10.00 N ATOM 388 CA HIS A 26 6.977 -7.234 8.409 1.00 10.00 C ATOM 389 C HIS A 26 8.337 -6.562 8.635 1.00 10.00 C ATOM 390 O HIS A 26 9.005 -6.821 9.632 1.00 10.00 O ATOM 391 CB HIS A 26 6.069 -7.133 9.652 1.00 10.00 C ATOM 392 CG HIS A 26 4.866 -8.049 9.672 1.00 10.00 C ATOM 393 ND1 HIS A 26 4.262 -8.646 8.588 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.285 -8.566 10.800 1.00 10.00 C ATOM 395 CE1 HIS A 26 3.350 -9.514 9.062 1.00 10.00 C ATOM 396 NE2 HIS A 26 3.321 -9.494 10.402 1.00 10.00 N ATOM 0 H HIS A 26 6.989 -8.724 6.961 1.00 10.00 H new ATOM 0 HA HIS A 26 6.452 -6.697 7.619 1.00 10.00 H new ATOM 0 HB2 HIS A 26 6.673 -7.340 10.536 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.719 -6.104 9.739 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.530 -8.302 11.818 1.00 10.00 H new ATOM 0 HE1 HIS A 26 2.725 -10.143 8.445 1.00 10.00 H new ATOM 0 HE2 HIS A 26 2.716 -10.046 11.009 1.00 10.00 H new ATOM 404 N LYS A 27 8.774 -5.728 7.684 1.00 10.00 N ATOM 405 CA LYS A 27 10.074 -5.066 7.738 1.00 10.00 C ATOM 406 C LYS A 27 9.908 -3.608 8.172 1.00 10.00 C ATOM 407 O LYS A 27 10.249 -3.270 9.301 1.00 10.00 O ATOM 408 CB LYS A 27 10.787 -5.239 6.388 1.00 10.00 C ATOM 409 CG LYS A 27 11.356 -6.665 6.274 1.00 10.00 C ATOM 410 CD LYS A 27 11.078 -7.284 4.898 1.00 10.00 C ATOM 411 CE LYS A 27 11.747 -8.663 4.791 1.00 10.00 C ATOM 412 NZ LYS A 27 11.380 -9.364 3.541 1.00 10.00 N ATOM 0 H LYS A 27 8.230 -5.495 6.853 1.00 10.00 H new ATOM 0 HA LYS A 27 10.712 -5.527 8.492 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.090 -5.050 5.572 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.591 -4.509 6.295 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.431 -6.642 6.451 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.919 -7.293 7.050 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.003 -7.380 4.745 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.454 -6.628 4.113 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.830 -8.545 4.835 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.458 -9.273 5.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 11.853 -10.290 3.510 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 10.350 -9.501 3.509 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 11.679 -8.795 2.723 1.00 10.00 H new ATOM 426 N THR A 28 9.387 -2.747 7.292 1.00 10.00 N ATOM 427 CA THR A 28 9.082 -1.356 7.635 1.00 10.00 C ATOM 428 C THR A 28 7.572 -1.158 7.727 1.00 10.00 C ATOM 429 O THR A 28 7.087 -0.549 8.679 1.00 10.00 O ATOM 430 CB THR A 28 9.729 -0.404 6.631 1.00 10.00 C ATOM 431 OG1 THR A 28 11.134 -0.509 6.690 1.00 10.00 O ATOM 432 CG2 THR A 28 9.320 1.056 6.847 1.00 10.00 C ATOM 0 H THR A 28 9.166 -2.994 6.327 1.00 10.00 H new ATOM 0 HA THR A 28 9.503 -1.125 8.613 1.00 10.00 H new ATOM 0 HB THR A 28 9.371 -0.704 5.646 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.536 0.105 6.040 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.811 1.685 6.104 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.239 1.150 6.745 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.619 1.374 7.846 1.00 10.00 H new ATOM 440 N GLY A 29 6.827 -1.648 6.732 1.00 10.00 N ATOM 441 CA GLY A 29 5.376 -1.632 6.756 1.00 10.00 C ATOM 442 C GLY A 29 4.854 -3.051 6.805 1.00 10.00 C ATOM 443 O GLY A 29 5.630 -4.001 6.665 1.00 10.00 O ATOM 0 H GLY A 29 7.221 -2.066 5.889 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.023 -1.074 7.623 1.00 10.00 H new ATOM 0 HA3 GLY A 29 4.993 -1.123 5.871 1.00 10.00 H new ATOM 447 N PRO A 30 3.548 -3.206 7.047 1.00 10.00 N ATOM 448 CA PRO A 30 2.992 -4.516 7.212 1.00 10.00 C ATOM 449 C PRO A 30 2.890 -5.235 5.890 1.00 10.00 C ATOM 450 O PRO A 30 3.099 -4.687 4.801 1.00 10.00 O ATOM 451 CB PRO A 30 1.636 -4.321 7.900 1.00 10.00 C ATOM 452 CG PRO A 30 1.236 -2.878 7.583 1.00 10.00 C ATOM 453 CD PRO A 30 2.547 -2.166 7.239 1.00 10.00 C ATOM 0 HA PRO A 30 3.629 -5.154 7.825 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.897 -5.028 7.523 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.712 -4.483 8.975 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.535 -2.838 6.749 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.745 -2.409 8.435 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.436 -1.564 6.337 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.841 -1.488 8.040 1.00 10.00 H new ATOM 461 N ASN A 31 2.584 -6.519 6.033 1.00 10.00 N ATOM 462 CA ASN A 31 2.215 -7.322 4.909 1.00 10.00 C ATOM 463 C ASN A 31 0.918 -6.746 4.372 1.00 10.00 C ATOM 464 O ASN A 31 -0.113 -6.779 5.035 1.00 10.00 O ATOM 465 CB ASN A 31 2.120 -8.799 5.291 1.00 10.00 C ATOM 466 CG ASN A 31 1.174 -9.117 6.446 1.00 10.00 C ATOM 467 OD1 ASN A 31 1.001 -8.317 7.361 1.00 10.00 O ATOM 468 ND2 ASN A 31 0.644 -10.337 6.471 1.00 10.00 N ATOM 0 H ASN A 31 2.589 -7.013 6.925 1.00 10.00 H new ATOM 0 HA ASN A 31 2.972 -7.293 4.125 1.00 10.00 H new ATOM 0 HB2 ASN A 31 1.800 -9.363 4.415 1.00 10.00 H new ATOM 0 HB3 ASN A 31 3.117 -9.154 5.552 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.076 -10.630 7.266 1.00 10.00 H new ATOM 0 HD22 ASN A 31 0.806 -10.979 5.695 1.00 10.00 H new ATOM 475 N LEU A 32 0.990 -6.211 3.159 1.00 10.00 N ATOM 476 CA LEU A 32 -0.167 -5.725 2.437 1.00 10.00 C ATOM 477 C LEU A 32 -1.150 -6.889 2.213 1.00 10.00 C ATOM 478 O LEU A 32 -2.327 -6.676 1.944 1.00 10.00 O ATOM 479 CB LEU A 32 0.316 -5.046 1.143 1.00 10.00 C ATOM 480 CG LEU A 32 0.402 -3.521 1.228 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.499 -3.018 0.283 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.919 -2.929 0.781 1.00 10.00 C ATOM 0 H LEU A 32 1.866 -6.104 2.648 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.717 -4.972 3.002 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.299 -5.440 0.885 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.359 -5.316 0.331 1.00 10.00 H new ATOM 0 HG LEU A 32 0.627 -3.226 2.253 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.561 -1.931 0.343 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.456 -3.452 0.572 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.261 -3.312 -0.739 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.868 -1.842 0.838 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.123 -3.229 -0.247 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.717 -3.289 1.430 1.00 10.00 H new ATOM 494 N HIS A 33 -0.681 -8.135 2.344 1.00 10.00 N ATOM 495 CA HIS A 33 -1.522 -9.317 2.430 1.00 10.00 C ATOM 496 C HIS A 33 -2.780 -9.074 3.284 1.00 10.00 C ATOM 497 O HIS A 33 -2.686 -8.749 4.464 1.00 10.00 O ATOM 498 CB HIS A 33 -0.680 -10.499 2.913 1.00 10.00 C ATOM 499 CG HIS A 33 -1.351 -11.828 2.702 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.632 -12.459 1.504 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.826 -12.615 3.711 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.313 -13.579 1.804 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.452 -13.720 3.134 1.00 10.00 N ATOM 0 H HIS A 33 0.316 -8.346 2.393 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.904 -9.560 1.438 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.276 -10.494 2.389 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.463 -10.373 3.974 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.734 -12.417 4.769 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.698 -14.274 1.073 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.921 -14.482 3.623 1.00 10.00 H new ATOM 511 N GLY A 34 -3.956 -9.205 2.663 1.00 10.00 N ATOM 512 CA GLY A 34 -5.265 -8.976 3.255 1.00 10.00 C ATOM 513 C GLY A 34 -5.831 -7.577 2.986 1.00 10.00 C ATOM 514 O GLY A 34 -6.904 -7.268 3.496 1.00 10.00 O ATOM 0 H GLY A 34 -4.017 -9.488 1.685 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.962 -9.720 2.870 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.198 -9.129 4.332 1.00 10.00 H new ATOM 518 N LEU A 35 -5.142 -6.734 2.205 1.00 10.00 N ATOM 519 CA LEU A 35 -5.492 -5.331 2.008 1.00 10.00 C ATOM 520 C LEU A 35 -6.975 -5.101 1.699 1.00 10.00 C ATOM 521 O LEU A 35 -7.704 -4.471 2.469 1.00 10.00 O ATOM 522 CB LEU A 35 -4.629 -4.761 0.868 1.00 10.00 C ATOM 523 CG LEU A 35 -4.734 -3.250 0.625 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.307 -2.477 1.874 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.905 -2.928 -0.613 1.00 10.00 C ATOM 0 H LEU A 35 -4.312 -7.019 1.685 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.297 -4.817 2.949 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.586 -5.002 1.075 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.898 -5.275 -0.055 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.762 -2.940 0.437 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.387 -1.407 1.685 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.954 -2.748 2.708 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.275 -2.725 2.120 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.956 -1.859 -0.817 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.868 -3.215 -0.441 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.297 -3.480 -1.467 1.00 10.00 H new ATOM 537 N PHE A 36 -7.405 -5.578 0.529 1.00 10.00 N ATOM 538 CA PHE A 36 -8.762 -5.389 0.051 1.00 10.00 C ATOM 539 C PHE A 36 -9.715 -6.172 0.947 1.00 10.00 C ATOM 540 O PHE A 36 -9.783 -7.396 0.853 1.00 10.00 O ATOM 541 CB PHE A 36 -8.882 -5.839 -1.409 1.00 10.00 C ATOM 542 CG PHE A 36 -7.936 -5.126 -2.354 1.00 10.00 C ATOM 543 CD1 PHE A 36 -8.222 -3.826 -2.798 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.744 -5.745 -2.750 1.00 10.00 C ATOM 545 CE1 PHE A 36 -7.316 -3.147 -3.635 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.823 -5.056 -3.552 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.113 -3.764 -4.013 1.00 10.00 C ATOM 0 H PHE A 36 -6.813 -6.108 -0.111 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.023 -4.332 0.091 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.695 -6.911 -1.464 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.906 -5.677 -1.745 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -9.141 -3.344 -2.497 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.533 -6.757 -2.437 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -7.546 -2.152 -3.986 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.886 -5.523 -3.816 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.415 -3.247 -4.655 1.00 10.00 H new ATOM 557 N GLY A 37 -10.453 -5.454 1.796 1.00 10.00 N ATOM 558 CA GLY A 37 -11.397 -6.030 2.743 1.00 10.00 C ATOM 559 C GLY A 37 -10.836 -6.047 4.164 1.00 10.00 C ATOM 560 O GLY A 37 -11.139 -6.954 4.939 1.00 10.00 O ATOM 0 H GLY A 37 -10.407 -4.436 1.842 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.325 -5.458 2.725 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.644 -7.047 2.437 1.00 10.00 H new ATOM 564 N ARG A 38 -10.051 -5.028 4.534 1.00 10.00 N ATOM 565 CA ARG A 38 -9.501 -4.912 5.877 1.00 10.00 C ATOM 566 C ARG A 38 -9.365 -3.434 6.279 1.00 10.00 C ATOM 567 O ARG A 38 -8.363 -3.032 6.859 1.00 10.00 O ATOM 568 CB ARG A 38 -8.185 -5.707 5.923 1.00 10.00 C ATOM 569 CG ARG A 38 -7.645 -5.906 7.344 1.00 10.00 C ATOM 570 CD ARG A 38 -7.448 -7.386 7.693 1.00 10.00 C ATOM 571 NE ARG A 38 -8.744 -8.066 7.859 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.899 -9.327 8.295 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.826 -10.103 8.480 1.00 10.00 N ATOM 574 NH2 ARG A 38 -10.124 -9.802 8.549 1.00 10.00 N ATOM 0 H ARG A 38 -9.784 -4.267 3.909 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.170 -5.343 6.622 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.342 -6.682 5.462 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.435 -5.189 5.326 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -6.695 -5.382 7.445 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -8.335 -5.456 8.058 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -6.874 -7.876 6.906 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -6.867 -7.473 8.611 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.586 -7.540 7.626 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.893 -9.737 8.290 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.940 -11.061 8.811 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.941 -9.206 8.412 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -10.241 -10.760 8.880 1.00 10.00 H new ATOM 588 N LYS A 39 -10.417 -2.643 6.016 1.00 10.00 N ATOM 589 CA LYS A 39 -10.505 -1.208 6.297 1.00 10.00 C ATOM 590 C LYS A 39 -9.201 -0.482 5.973 1.00 10.00 C ATOM 591 O LYS A 39 -8.639 -0.756 4.916 1.00 10.00 O ATOM 592 CB LYS A 39 -11.029 -0.987 7.722 1.00 10.00 C ATOM 593 CG LYS A 39 -11.991 0.208 7.806 1.00 10.00 C ATOM 594 CD LYS A 39 -12.656 0.160 9.187 1.00 10.00 C ATOM 595 CE LYS A 39 -13.196 1.517 9.662 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.527 1.863 9.118 1.00 10.00 N ATOM 0 H LYS A 39 -11.266 -3.006 5.582 1.00 10.00 H new ATOM 0 HA LYS A 39 -11.234 -0.749 5.629 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.540 -1.887 8.064 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.188 -0.823 8.396 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.452 1.146 7.671 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.740 0.155 7.016 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.476 -0.558 9.160 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -11.933 -0.208 9.915 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -13.251 1.513 10.751 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -12.487 2.296 9.381 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -14.821 2.791 9.484 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.479 1.900 8.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.218 1.142 9.407 1.00 10.00 H new ATOM 610 N THR A 40 -8.753 0.425 6.854 1.00 10.00 N ATOM 611 CA THR A 40 -7.376 0.883 6.929 1.00 10.00 C ATOM 612 C THR A 40 -6.579 0.141 7.992 1.00 10.00 C ATOM 613 O THR A 40 -5.876 -0.804 7.662 1.00 10.00 O ATOM 614 CB THR A 40 -7.299 2.403 7.131 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.392 2.859 7.916 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.300 3.089 5.771 1.00 10.00 C ATOM 0 H THR A 40 -9.360 0.865 7.546 1.00 10.00 H new ATOM 0 HA THR A 40 -6.915 0.652 5.969 1.00 10.00 H new ATOM 0 HB THR A 40 -6.379 2.649 7.661 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.095 3.003 8.839 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.245 4.169 5.908 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.439 2.753 5.193 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.216 2.837 5.237 1.00 10.00 H new ATOM 624 N GLY A 41 -6.647 0.626 9.239 1.00 10.00 N ATOM 625 CA GLY A 41 -5.747 0.237 10.315 1.00 10.00 C ATOM 626 C GLY A 41 -5.597 -1.274 10.433 1.00 10.00 C ATOM 627 O GLY A 41 -4.620 -1.828 9.941 1.00 10.00 O ATOM 0 H GLY A 41 -7.345 1.312 9.526 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.768 0.684 10.144 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.120 0.637 11.258 1.00 10.00 H new ATOM 631 N GLN A 42 -6.558 -1.913 11.116 1.00 10.00 N ATOM 632 CA GLN A 42 -6.689 -3.365 11.249 1.00 10.00 C ATOM 633 C GLN A 42 -5.332 -4.079 11.369 1.00 10.00 C ATOM 634 O GLN A 42 -5.119 -5.143 10.792 1.00 10.00 O ATOM 635 CB GLN A 42 -7.524 -3.880 10.069 1.00 10.00 C ATOM 636 CG GLN A 42 -9.005 -3.485 10.179 1.00 10.00 C ATOM 637 CD GLN A 42 -9.867 -4.649 10.658 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.529 -5.328 11.621 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.988 -4.903 9.987 1.00 10.00 N ATOM 0 H GLN A 42 -7.294 -1.408 11.610 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.200 -3.595 12.184 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.114 -3.486 9.139 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.444 -4.966 10.018 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.108 -2.648 10.870 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.363 -3.143 9.208 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.247 -4.323 9.189 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.588 -5.678 10.271 1.00 10.00 H new ATOM 648 N ALA A 43 -4.412 -3.475 12.125 1.00 10.00 N ATOM 649 CA ALA A 43 -3.015 -3.866 12.143 1.00 10.00 C ATOM 650 C ALA A 43 -2.891 -5.208 12.856 1.00 10.00 C ATOM 651 O ALA A 43 -3.200 -5.264 14.048 1.00 10.00 O ATOM 652 CB ALA A 43 -2.219 -2.789 12.886 1.00 10.00 C ATOM 0 H ALA A 43 -4.626 -2.694 12.745 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.625 -3.966 11.130 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.165 -3.067 12.909 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.331 -1.834 12.372 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.593 -2.699 13.906 1.00 10.00 H new ATOM 658 N PRO A 44 -2.442 -6.286 12.193 1.00 10.00 N ATOM 659 CA PRO A 44 -2.334 -7.576 12.845 1.00 10.00 C ATOM 660 C PRO A 44 -1.065 -7.596 13.706 1.00 10.00 C ATOM 661 O PRO A 44 -0.101 -8.290 13.398 1.00 10.00 O ATOM 662 CB PRO A 44 -2.347 -8.597 11.704 1.00 10.00 C ATOM 663 CG PRO A 44 -1.703 -7.846 10.536 1.00 10.00 C ATOM 664 CD PRO A 44 -2.057 -6.377 10.788 1.00 10.00 C ATOM 0 HA PRO A 44 -3.146 -7.805 13.536 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.784 -9.493 11.963 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.361 -8.916 11.464 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.624 -7.997 10.513 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.093 -8.190 9.578 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.206 -5.730 10.575 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.872 -6.056 10.139 1.00 10.00 H new ATOM 672 N GLY A 45 -1.069 -6.805 14.783 1.00 10.00 N ATOM 673 CA GLY A 45 0.068 -6.628 15.672 1.00 10.00 C ATOM 674 C GLY A 45 1.234 -5.964 14.940 1.00 10.00 C ATOM 675 O GLY A 45 2.320 -6.529 14.845 1.00 10.00 O ATOM 0 H GLY A 45 -1.885 -6.260 15.062 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.225 -6.018 16.527 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.383 -7.595 16.064 1.00 10.00 H new ATOM 679 N PHE A 46 1.006 -4.746 14.437 1.00 10.00 N ATOM 680 CA PHE A 46 2.001 -3.925 13.754 1.00 10.00 C ATOM 681 C PHE A 46 1.960 -2.512 14.360 1.00 10.00 C ATOM 682 O PHE A 46 0.920 -2.083 14.860 1.00 10.00 O ATOM 683 CB PHE A 46 1.718 -3.934 12.241 1.00 10.00 C ATOM 684 CG PHE A 46 2.164 -2.694 11.486 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.526 -2.493 11.187 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.228 -1.686 11.181 1.00 10.00 C ATOM 687 CE1 PHE A 46 3.954 -1.264 10.651 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.647 -0.495 10.568 1.00 10.00 C ATOM 689 CZ PHE A 46 3.015 -0.260 10.356 1.00 10.00 C ATOM 0 H PHE A 46 0.094 -4.294 14.498 1.00 10.00 H new ATOM 0 HA PHE A 46 3.008 -4.320 13.891 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.210 -4.802 11.802 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.646 -4.064 12.090 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.241 -3.282 11.369 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.185 -1.830 11.420 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.004 -1.092 10.466 1.00 10.00 H new ATOM 0 HE2 PHE A 46 0.918 0.240 10.260 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.346 0.691 9.967 1.00 10.00 H new ATOM 699 N THR A 47 3.094 -1.805 14.328 1.00 10.00 N ATOM 700 CA THR A 47 3.253 -0.449 14.848 1.00 10.00 C ATOM 701 C THR A 47 2.736 0.564 13.820 1.00 10.00 C ATOM 702 O THR A 47 3.502 1.049 12.991 1.00 10.00 O ATOM 703 CB THR A 47 4.737 -0.233 15.191 1.00 10.00 C ATOM 704 OG1 THR A 47 5.119 -1.175 16.174 1.00 10.00 O ATOM 705 CG2 THR A 47 5.039 1.166 15.740 1.00 10.00 C ATOM 0 H THR A 47 3.954 -2.176 13.925 1.00 10.00 H new ATOM 0 HA THR A 47 2.667 -0.306 15.756 1.00 10.00 H new ATOM 0 HB THR A 47 5.294 -0.352 14.262 1.00 10.00 H new ATOM 0 HG1 THR A 47 6.064 -1.048 16.399 1.00 10.00 H new ATOM 0 HG21 THR A 47 6.103 1.248 15.960 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.763 1.915 14.998 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.466 1.330 16.652 1.00 10.00 H new ATOM 713 N TYR A 48 1.441 0.883 13.887 1.00 10.00 N ATOM 714 CA TYR A 48 0.788 1.843 13.009 1.00 10.00 C ATOM 715 C TYR A 48 1.061 3.267 13.481 1.00 10.00 C ATOM 716 O TYR A 48 1.647 3.473 14.545 1.00 10.00 O ATOM 717 CB TYR A 48 -0.721 1.550 12.966 1.00 10.00 C ATOM 718 CG TYR A 48 -1.414 1.627 14.316 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.801 2.874 14.847 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.578 0.462 15.089 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.303 2.958 16.157 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.076 0.549 16.401 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.412 1.801 16.943 1.00 10.00 C ATOM 724 OH TYR A 48 -2.889 1.893 18.216 1.00 10.00 O ATOM 0 H TYR A 48 0.807 0.469 14.571 1.00 10.00 H new ATOM 0 HA TYR A 48 1.191 1.747 12.001 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.197 2.257 12.286 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.874 0.555 12.549 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.712 3.767 14.246 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.321 -0.501 14.673 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.605 3.914 16.559 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.200 -0.346 16.992 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.903 1.003 18.625 1.00 10.00 H new ATOM 734 N THR A 49 0.597 4.245 12.701 1.00 10.00 N ATOM 735 CA THR A 49 0.728 5.658 13.006 1.00 10.00 C ATOM 736 C THR A 49 -0.644 6.341 12.950 1.00 10.00 C ATOM 737 O THR A 49 -1.603 5.771 12.418 1.00 10.00 O ATOM 738 CB THR A 49 1.691 6.279 11.983 1.00 10.00 C ATOM 739 OG1 THR A 49 1.121 6.204 10.689 1.00 10.00 O ATOM 740 CG2 THR A 49 3.050 5.568 11.987 1.00 10.00 C ATOM 0 H THR A 49 0.110 4.066 11.823 1.00 10.00 H new ATOM 0 HA THR A 49 1.123 5.795 14.013 1.00 10.00 H new ATOM 0 HB THR A 49 1.853 7.321 12.260 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.777 5.831 10.064 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.706 6.033 11.251 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.500 5.648 12.977 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.911 4.516 11.736 1.00 10.00 H new ATOM 748 N ASP A 50 -0.742 7.578 13.458 1.00 10.00 N ATOM 749 CA ASP A 50 -1.935 8.422 13.398 1.00 10.00 C ATOM 750 C ASP A 50 -2.173 8.942 11.976 1.00 10.00 C ATOM 751 O ASP A 50 -2.239 10.145 11.735 1.00 10.00 O ATOM 752 CB ASP A 50 -1.791 9.586 14.388 1.00 10.00 C ATOM 753 CG ASP A 50 -1.787 9.091 15.821 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.703 8.639 16.249 1.00 10.00 O ATOM 755 OD2 ASP A 50 -2.875 9.139 16.435 1.00 10.00 O ATOM 0 H ASP A 50 0.036 8.030 13.938 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.802 7.823 13.676 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.867 10.127 14.185 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.611 10.291 14.246 1.00 10.00 H new ATOM 760 N ALA A 51 -2.319 8.020 11.027 1.00 10.00 N ATOM 761 CA ALA A 51 -2.495 8.316 9.618 1.00 10.00 C ATOM 762 C ALA A 51 -3.079 7.096 8.921 1.00 10.00 C ATOM 763 O ALA A 51 -4.075 7.205 8.213 1.00 10.00 O ATOM 764 CB ALA A 51 -1.156 8.719 8.990 1.00 10.00 C ATOM 0 H ALA A 51 -2.317 7.020 11.229 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.183 9.153 9.501 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.302 8.939 7.932 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.769 9.604 9.495 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.444 7.901 9.096 1.00 10.00 H new ATOM 770 N ASN A 52 -2.487 5.921 9.148 1.00 10.00 N ATOM 771 CA ASN A 52 -2.898 4.668 8.525 1.00 10.00 C ATOM 772 C ASN A 52 -3.659 3.826 9.551 1.00 10.00 C ATOM 773 O ASN A 52 -3.419 2.634 9.711 1.00 10.00 O ATOM 774 CB ASN A 52 -1.650 3.966 7.981 1.00 10.00 C ATOM 775 CG ASN A 52 -1.951 2.950 6.883 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.588 3.160 5.724 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.599 1.848 7.237 1.00 10.00 N ATOM 0 H ASN A 52 -1.695 5.816 9.782 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.574 4.837 7.687 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -0.962 4.716 7.592 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.140 3.461 8.802 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.814 1.136 6.539 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.882 1.712 8.207 1.00 10.00 H new ATOM 784 N LYS A 53 -4.592 4.469 10.255 1.00 10.00 N ATOM 785 CA LYS A 53 -5.435 3.861 11.276 1.00 10.00 C ATOM 786 C LYS A 53 -6.687 4.713 11.406 1.00 10.00 C ATOM 787 O LYS A 53 -7.785 4.243 11.113 1.00 10.00 O ATOM 788 CB LYS A 53 -4.652 3.698 12.594 1.00 10.00 C ATOM 789 CG LYS A 53 -5.461 3.210 13.815 1.00 10.00 C ATOM 790 CD LYS A 53 -6.227 4.349 14.519 1.00 10.00 C ATOM 791 CE LYS A 53 -6.462 4.118 16.021 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.450 3.056 16.301 1.00 10.00 N ATOM 0 H LYS A 53 -4.785 5.462 10.122 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.739 2.852 10.999 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -3.836 2.997 12.422 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.200 4.658 12.844 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.169 2.446 13.494 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -4.785 2.738 14.528 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -5.673 5.279 14.388 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -7.191 4.481 14.028 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.515 3.858 16.494 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.800 5.049 16.476 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -7.563 2.949 17.329 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.364 3.312 15.877 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.119 2.158 15.894 1.00 10.00 H new ATOM 806 N ASN A 54 -6.508 5.980 11.793 1.00 10.00 N ATOM 807 CA ASN A 54 -7.610 6.923 11.977 1.00 10.00 C ATOM 808 C ASN A 54 -8.337 7.222 10.663 1.00 10.00 C ATOM 809 O ASN A 54 -9.447 7.743 10.688 1.00 10.00 O ATOM 810 CB ASN A 54 -7.106 8.224 12.635 1.00 10.00 C ATOM 811 CG ASN A 54 -7.375 8.252 14.139 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.495 8.007 14.577 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.365 8.535 14.957 1.00 10.00 N ATOM 0 H ASN A 54 -5.590 6.380 11.988 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.334 6.453 12.643 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -6.036 8.328 12.457 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -7.592 9.079 12.165 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.515 8.551 15.966 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.441 8.736 14.575 1.00 10.00 H new ATOM 820 N LYS A 55 -7.719 6.907 9.520 1.00 10.00 N ATOM 821 CA LYS A 55 -8.276 7.206 8.206 1.00 10.00 C ATOM 822 C LYS A 55 -9.662 6.581 8.034 1.00 10.00 C ATOM 823 O LYS A 55 -10.624 7.252 7.672 1.00 10.00 O ATOM 824 CB LYS A 55 -7.307 6.679 7.153 1.00 10.00 C ATOM 825 CG LYS A 55 -7.430 7.419 5.816 1.00 10.00 C ATOM 826 CD LYS A 55 -6.294 6.941 4.898 1.00 10.00 C ATOM 827 CE LYS A 55 -5.174 7.968 4.710 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.616 9.125 3.905 1.00 10.00 N ATOM 0 H LYS A 55 -6.815 6.436 9.485 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.401 8.283 8.096 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.286 6.774 7.524 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.491 5.616 6.994 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.399 7.219 5.358 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.367 8.496 5.970 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.869 6.025 5.309 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.710 6.689 3.923 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.832 8.314 5.685 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.323 7.492 4.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -5.140 9.986 4.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.374 8.966 2.906 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -6.646 9.239 3.998 1.00 10.00 H new ATOM 842 N GLY A 56 -9.742 5.272 8.274 1.00 10.00 N ATOM 843 CA GLY A 56 -10.979 4.523 8.300 1.00 10.00 C ATOM 844 C GLY A 56 -11.605 4.364 6.918 1.00 10.00 C ATOM 845 O GLY A 56 -12.825 4.451 6.789 1.00 10.00 O ATOM 0 H GLY A 56 -8.921 4.696 8.460 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.792 3.537 8.724 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.688 5.024 8.959 1.00 10.00 H new ATOM 849 N ILE A 57 -10.785 4.066 5.906 1.00 10.00 N ATOM 850 CA ILE A 57 -11.224 3.887 4.527 1.00 10.00 C ATOM 851 C ILE A 57 -10.919 2.456 4.093 1.00 10.00 C ATOM 852 O ILE A 57 -9.852 1.932 4.376 1.00 10.00 O ATOM 853 CB ILE A 57 -10.611 4.959 3.597 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.079 4.918 3.479 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.110 6.340 4.040 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.549 5.734 2.299 1.00 10.00 C ATOM 0 H ILE A 57 -9.780 3.941 6.029 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.302 4.033 4.455 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.952 4.735 2.586 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.639 5.296 4.402 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.756 3.883 3.372 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.685 7.106 3.392 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.198 6.372 3.974 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.803 6.525 5.069 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.462 5.666 2.269 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.963 5.342 1.370 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.844 6.777 2.416 1.00 10.00 H new ATOM 868 N THR A 58 -11.868 1.792 3.445 1.00 10.00 N ATOM 869 CA THR A 58 -11.645 0.513 2.799 1.00 10.00 C ATOM 870 C THR A 58 -10.558 0.674 1.740 1.00 10.00 C ATOM 871 O THR A 58 -10.820 1.330 0.734 1.00 10.00 O ATOM 872 CB THR A 58 -12.969 0.072 2.158 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.448 1.113 1.327 1.00 10.00 O ATOM 874 CG2 THR A 58 -14.028 -0.216 3.224 1.00 10.00 C ATOM 0 H THR A 58 -12.825 2.134 3.355 1.00 10.00 H new ATOM 0 HA THR A 58 -11.318 -0.241 3.516 1.00 10.00 H new ATOM 0 HB THR A 58 -12.786 -0.836 1.584 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.694 1.537 0.866 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.955 -0.526 2.742 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.677 -1.012 3.880 1.00 10.00 H new ATOM 0 HG23 THR A 58 -14.208 0.685 3.811 1.00 10.00 H new ATOM 882 N TRP A 59 -9.372 0.095 1.940 1.00 10.00 N ATOM 883 CA TRP A 59 -8.363 0.088 0.892 1.00 10.00 C ATOM 884 C TRP A 59 -8.907 -0.589 -0.365 1.00 10.00 C ATOM 885 O TRP A 59 -9.121 -1.799 -0.378 1.00 10.00 O ATOM 886 CB TRP A 59 -7.081 -0.578 1.385 1.00 10.00 C ATOM 887 CG TRP A 59 -6.290 0.297 2.295 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.081 0.098 3.609 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.656 1.564 1.975 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.389 1.176 4.130 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.121 2.124 3.169 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.489 2.298 0.786 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.475 3.369 3.192 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.819 3.529 0.791 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.353 4.089 1.994 1.00 10.00 C ATOM 0 H TRP A 59 -9.094 -0.367 2.806 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.116 1.117 0.632 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.334 -1.502 1.905 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.467 -0.853 0.528 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.403 -0.768 4.169 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.111 1.259 5.108 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.882 1.908 -0.141 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.079 3.766 4.115 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.659 4.053 -0.139 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.902 5.071 1.996 1.00 10.00 H new ATOM 906 N LYS A 60 -9.147 0.207 -1.409 1.00 10.00 N ATOM 907 CA LYS A 60 -9.662 -0.237 -2.691 1.00 10.00 C ATOM 908 C LYS A 60 -8.864 0.445 -3.793 1.00 10.00 C ATOM 909 O LYS A 60 -8.160 1.419 -3.521 1.00 10.00 O ATOM 910 CB LYS A 60 -11.168 0.038 -2.777 1.00 10.00 C ATOM 911 CG LYS A 60 -11.510 1.515 -2.557 1.00 10.00 C ATOM 912 CD LYS A 60 -13.026 1.729 -2.609 1.00 10.00 C ATOM 913 CE LYS A 60 -13.389 3.087 -1.991 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.668 3.609 -2.508 1.00 10.00 N ATOM 0 H LYS A 60 -8.980 1.213 -1.376 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.543 -1.314 -2.810 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.536 -0.275 -3.754 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.687 -0.566 -2.033 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.123 1.844 -1.592 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.025 2.124 -3.320 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.372 1.687 -3.642 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.533 0.928 -2.070 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.451 2.987 -0.907 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.595 3.804 -2.200 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.907 4.493 -2.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -14.581 3.794 -3.528 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.420 2.908 -2.347 1.00 10.00 H new ATOM 928 N GLU A 61 -8.958 -0.070 -5.025 1.00 10.00 N ATOM 929 CA GLU A 61 -8.181 0.448 -6.140 1.00 10.00 C ATOM 930 C GLU A 61 -8.328 1.967 -6.235 1.00 10.00 C ATOM 931 O GLU A 61 -7.332 2.661 -6.362 1.00 10.00 O ATOM 932 CB GLU A 61 -8.488 -0.313 -7.440 1.00 10.00 C ATOM 933 CG GLU A 61 -9.947 -0.251 -7.916 1.00 10.00 C ATOM 934 CD GLU A 61 -10.204 -1.177 -9.114 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.879 -2.389 -9.022 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.734 -0.661 -10.117 1.00 10.00 O ATOM 0 H GLU A 61 -9.570 -0.849 -5.268 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.121 0.266 -5.960 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.850 0.082 -8.230 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.214 -1.359 -7.301 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.608 -0.529 -7.095 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.195 0.774 -8.191 1.00 10.00 H new ATOM 943 N GLU A 62 -9.547 2.479 -6.062 1.00 10.00 N ATOM 944 CA GLU A 62 -9.856 3.903 -6.002 1.00 10.00 C ATOM 945 C GLU A 62 -8.925 4.666 -5.044 1.00 10.00 C ATOM 946 O GLU A 62 -8.297 5.650 -5.427 1.00 10.00 O ATOM 947 CB GLU A 62 -11.327 4.042 -5.574 1.00 10.00 C ATOM 948 CG GLU A 62 -12.008 5.325 -6.061 1.00 10.00 C ATOM 949 CD GLU A 62 -13.434 5.434 -5.527 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.852 4.500 -4.802 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.084 6.454 -5.823 1.00 10.00 O ATOM 0 H GLU A 62 -10.373 1.891 -5.956 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.697 4.349 -6.984 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.885 3.184 -5.949 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.381 4.007 -4.486 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.430 6.191 -5.739 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.024 5.340 -7.151 1.00 10.00 H new ATOM 958 N THR A 63 -8.841 4.233 -3.783 1.00 10.00 N ATOM 959 CA THR A 63 -8.066 4.939 -2.776 1.00 10.00 C ATOM 960 C THR A 63 -6.580 4.731 -3.056 1.00 10.00 C ATOM 961 O THR A 63 -5.814 5.689 -3.107 1.00 10.00 O ATOM 962 CB THR A 63 -8.491 4.476 -1.374 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.506 3.064 -1.276 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.898 4.990 -1.054 1.00 10.00 C ATOM 0 H THR A 63 -9.305 3.392 -3.440 1.00 10.00 H new ATOM 0 HA THR A 63 -8.256 6.011 -2.818 1.00 10.00 H new ATOM 0 HB THR A 63 -7.764 4.878 -0.668 1.00 10.00 H new ATOM 0 HG1 THR A 63 -8.307 2.673 -2.152 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.190 4.656 -0.058 1.00 10.00 H new ATOM 0 HG22 THR A 63 -9.904 6.079 -1.088 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.603 4.601 -1.788 1.00 10.00 H new ATOM 972 N LEU A 64 -6.175 3.475 -3.270 1.00 10.00 N ATOM 973 CA LEU A 64 -4.804 3.130 -3.627 1.00 10.00 C ATOM 974 C LEU A 64 -4.289 4.003 -4.778 1.00 10.00 C ATOM 975 O LEU A 64 -3.216 4.592 -4.677 1.00 10.00 O ATOM 976 CB LEU A 64 -4.707 1.647 -4.004 1.00 10.00 C ATOM 977 CG LEU A 64 -4.268 0.725 -2.858 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.217 -0.461 -2.657 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.871 0.201 -3.211 1.00 10.00 C ATOM 0 H LEU A 64 -6.796 2.669 -3.199 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.176 3.317 -2.756 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.678 1.314 -4.369 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.003 1.540 -4.829 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.274 1.292 -1.927 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.858 -1.079 -1.834 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.216 -0.092 -2.425 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.253 -1.057 -3.569 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.520 -0.461 -2.419 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.916 -0.349 -4.151 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.183 1.040 -3.314 1.00 10.00 H new ATOM 991 N MET A 65 -5.048 4.103 -5.867 1.00 10.00 N ATOM 992 CA MET A 65 -4.738 4.911 -7.036 1.00 10.00 C ATOM 993 C MET A 65 -4.336 6.338 -6.651 1.00 10.00 C ATOM 994 O MET A 65 -3.396 6.882 -7.234 1.00 10.00 O ATOM 995 CB MET A 65 -5.967 4.923 -7.954 1.00 10.00 C ATOM 996 CG MET A 65 -6.043 3.696 -8.863 1.00 10.00 C ATOM 997 SD MET A 65 -7.647 3.532 -9.684 1.00 10.00 S ATOM 998 CE MET A 65 -7.189 2.475 -11.064 1.00 10.00 C ATOM 0 H MET A 65 -5.931 3.601 -5.959 1.00 10.00 H new ATOM 0 HA MET A 65 -3.884 4.475 -7.555 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.869 4.974 -7.344 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.947 5.823 -8.568 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.258 3.759 -9.617 1.00 10.00 H new ATOM 0 HG3 MET A 65 -5.848 2.800 -8.274 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.184 3.060 -11.984 1.00 10.00 H new ATOM 0 HE2 MET A 65 -6.196 2.061 -10.891 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.910 1.662 -11.155 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.048 6.926 -5.685 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.838 8.285 -5.198 1.00 10.00 C ATOM 1010 C GLU A 66 -3.868 8.321 -4.006 1.00 10.00 C ATOM 1011 O GLU A 66 -3.616 9.384 -3.445 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.212 8.884 -4.840 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.706 9.877 -5.897 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.096 11.250 -5.648 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -4.993 11.489 -6.185 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.723 12.021 -4.892 1.00 10.00 O ATOM 0 H GLU A 66 -5.812 6.449 -5.207 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.370 8.886 -5.978 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.940 8.080 -4.732 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -6.147 9.386 -3.875 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.436 9.525 -6.893 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.794 9.942 -5.866 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.317 7.175 -3.599 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.396 7.055 -2.479 1.00 10.00 C ATOM 1025 C TYR A 67 -0.994 6.794 -3.018 1.00 10.00 C ATOM 1026 O TYR A 67 -0.078 7.584 -2.798 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.883 5.927 -1.564 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.089 5.734 -0.286 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.039 6.760 0.675 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.493 4.490 -0.007 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.449 6.524 1.930 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.907 4.259 1.249 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.937 5.254 2.239 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.457 5.007 3.491 1.00 10.00 O ATOM 0 H TYR A 67 -3.508 6.283 -4.056 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.361 7.974 -1.893 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.923 6.121 -1.300 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.866 4.993 -2.126 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.454 7.731 0.449 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.486 3.714 -0.758 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.390 7.321 2.657 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.431 3.311 1.454 1.00 10.00 H new ATOM 0 HH TYR A 67 -1.049 4.375 3.949 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.836 5.704 -3.772 1.00 10.00 N ATOM 1045 CA LEU A 68 0.419 5.325 -4.406 1.00 10.00 C ATOM 1046 C LEU A 68 0.945 6.448 -5.290 1.00 10.00 C ATOM 1047 O LEU A 68 2.155 6.631 -5.389 1.00 10.00 O ATOM 1048 CB LEU A 68 0.233 4.064 -5.258 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.331 2.862 -4.497 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.337 1.648 -5.434 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.462 2.576 -3.222 1.00 10.00 C ATOM 0 H LEU A 68 -1.595 5.050 -3.960 1.00 10.00 H new ATOM 0 HA LEU A 68 1.140 5.127 -3.613 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.433 4.297 -6.089 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.195 3.787 -5.689 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.350 3.085 -4.181 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.737 0.782 -4.906 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.960 1.862 -6.303 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.681 1.435 -5.761 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.030 1.716 -2.710 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.499 2.362 -3.479 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.422 3.446 -2.566 1.00 10.00 H new ATOM 1063 N GLU A 69 0.031 7.175 -5.937 1.00 10.00 N ATOM 1064 CA GLU A 69 0.349 8.293 -6.810 1.00 10.00 C ATOM 1065 C GLU A 69 0.096 9.634 -6.124 1.00 10.00 C ATOM 1066 O GLU A 69 0.013 10.657 -6.797 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.403 8.114 -8.144 1.00 10.00 C ATOM 1068 CG GLU A 69 0.541 7.918 -9.346 1.00 10.00 C ATOM 1069 CD GLU A 69 0.524 9.104 -10.301 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -0.570 9.372 -10.843 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.610 9.691 -10.494 1.00 10.00 O ATOM 0 H GLU A 69 -0.970 6.994 -5.863 1.00 10.00 H new ATOM 0 HA GLU A 69 1.415 8.302 -7.036 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.068 7.254 -8.067 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.031 8.987 -8.321 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.557 7.762 -8.984 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.253 7.016 -9.887 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.007 9.661 -4.788 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.275 10.905 -4.077 1.00 10.00 C ATOM 1080 C ASN A 70 -0.091 10.746 -2.554 1.00 10.00 C ATOM 1081 O ASN A 70 -0.967 11.102 -1.762 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.675 11.408 -4.505 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.650 12.664 -5.374 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.688 13.429 -5.377 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.733 12.926 -6.095 1.00 10.00 N ATOM 0 H ASN A 70 0.091 8.841 -4.189 1.00 10.00 H new ATOM 0 HA ASN A 70 0.453 11.670 -4.347 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.184 10.613 -5.050 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.265 11.610 -3.611 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.775 13.772 -6.663 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.523 12.281 -6.082 1.00 10.00 H new ATOM 1092 N PRO A 71 1.081 10.267 -2.095 1.00 10.00 N ATOM 1093 CA PRO A 71 1.289 9.930 -0.695 1.00 10.00 C ATOM 1094 C PRO A 71 1.182 11.168 0.198 1.00 10.00 C ATOM 1095 O PRO A 71 0.511 11.136 1.226 1.00 10.00 O ATOM 1096 CB PRO A 71 2.662 9.251 -0.628 1.00 10.00 C ATOM 1097 CG PRO A 71 3.401 9.762 -1.866 1.00 10.00 C ATOM 1098 CD PRO A 71 2.279 9.998 -2.878 1.00 10.00 C ATOM 0 HA PRO A 71 0.520 9.256 -0.318 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.191 9.515 0.288 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.569 8.165 -0.641 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.951 10.679 -1.655 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.124 9.033 -2.231 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.514 10.838 -3.532 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.140 9.126 -3.517 1.00 10.00 H new ATOM 1106 N LYS A 72 1.812 12.273 -0.213 1.00 10.00 N ATOM 1107 CA LYS A 72 1.736 13.546 0.496 1.00 10.00 C ATOM 1108 C LYS A 72 0.543 14.400 0.069 1.00 10.00 C ATOM 1109 O LYS A 72 0.553 15.607 0.300 1.00 10.00 O ATOM 1110 CB LYS A 72 3.050 14.325 0.361 1.00 10.00 C ATOM 1111 CG LYS A 72 3.474 14.782 -1.049 1.00 10.00 C ATOM 1112 CD LYS A 72 4.093 13.665 -1.908 1.00 10.00 C ATOM 1113 CE LYS A 72 5.151 14.209 -2.884 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.200 13.212 -3.180 1.00 10.00 N ATOM 0 H LYS A 72 2.391 12.305 -1.052 1.00 10.00 H new ATOM 0 HA LYS A 72 1.578 13.306 1.548 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.981 15.210 0.993 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.850 13.705 0.767 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.603 15.184 -1.567 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.193 15.596 -0.955 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.549 12.918 -1.258 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.306 13.161 -2.470 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.666 14.510 -3.812 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.610 15.102 -2.460 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.695 13.478 -4.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 6.880 13.180 -2.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 5.765 12.275 -3.300 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.465 13.806 -0.573 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.666 14.531 -0.962 1.00 10.00 C ATOM 1130 C LYS A 73 -2.748 14.298 0.082 1.00 10.00 C ATOM 1131 O LYS A 73 -3.214 15.247 0.704 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.103 14.123 -2.376 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.198 15.336 -3.312 1.00 10.00 C ATOM 1134 CD LYS A 73 -0.809 15.963 -3.543 1.00 10.00 C ATOM 1135 CE LYS A 73 -0.782 17.458 -3.195 1.00 10.00 C ATOM 1136 NZ LYS A 73 -1.382 18.282 -4.264 1.00 10.00 N ATOM 0 H LYS A 73 -0.468 12.820 -0.833 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.466 15.602 -1.000 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.393 13.404 -2.783 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.071 13.623 -2.328 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.627 15.031 -4.267 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.870 16.079 -2.883 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -0.070 15.438 -2.938 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -0.521 15.829 -4.586 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -1.322 17.624 -2.263 1.00 10.00 H new ATOM 0 HE3 LYS A 73 0.248 17.774 -3.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -1.345 19.285 -3.991 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -0.852 18.144 -5.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -2.372 17.998 -4.406 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.140 13.036 0.277 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.242 12.710 1.170 1.00 10.00 C ATOM 1152 C TYR A 74 -3.990 13.198 2.597 1.00 10.00 C ATOM 1153 O TYR A 74 -4.806 13.929 3.151 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.485 11.198 1.191 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.415 10.655 0.129 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.746 11.111 0.071 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.042 9.513 -0.601 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.693 10.435 -0.716 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.009 8.789 -1.314 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.326 9.266 -1.403 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.259 8.556 -2.097 1.00 10.00 O ATOM 0 H TYR A 74 -2.708 12.229 -0.173 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.123 13.223 0.785 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.523 10.695 1.093 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.887 10.929 2.168 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -7.040 11.984 0.634 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -4.011 9.193 -0.613 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.702 10.813 -0.793 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.739 7.861 -1.796 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.955 9.163 -2.425 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.908 12.719 3.219 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.554 13.065 4.590 1.00 10.00 C ATOM 1173 C ILE A 75 -1.054 13.397 4.624 1.00 10.00 C ATOM 1174 O ILE A 75 -0.224 12.493 4.522 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.031 11.969 5.573 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.810 12.319 7.057 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.554 10.543 5.266 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.349 12.351 7.513 1.00 10.00 C ATOM 0 H ILE A 75 -2.251 12.076 2.777 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.074 13.958 4.937 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.106 11.960 5.393 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.256 13.294 7.253 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -3.348 11.594 7.668 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.947 9.858 6.017 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.911 10.244 4.280 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.465 10.512 5.282 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.304 12.607 8.572 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.898 11.371 7.357 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.804 13.098 6.936 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.675 14.683 4.728 1.00 10.00 N ATOM 1191 CA PRO A 76 0.720 15.098 4.743 1.00 10.00 C ATOM 1192 C PRO A 76 1.385 14.764 6.091 1.00 10.00 C ATOM 1193 O PRO A 76 1.701 15.653 6.876 1.00 10.00 O ATOM 1194 CB PRO A 76 0.699 16.589 4.382 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.669 17.071 4.860 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.563 15.839 4.721 1.00 10.00 C ATOM 0 HA PRO A 76 1.338 14.561 4.023 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.507 17.130 4.876 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.822 16.741 3.310 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.631 17.422 5.891 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.034 17.900 4.254 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.279 15.784 5.541 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.140 15.880 3.797 1.00 10.00 H new ATOM 1204 N GLY A 77 1.616 13.469 6.342 1.00 10.00 N ATOM 1205 CA GLY A 77 2.292 12.949 7.530 1.00 10.00 C ATOM 1206 C GLY A 77 2.248 11.418 7.512 1.00 10.00 C ATOM 1207 O GLY A 77 1.408 10.811 8.166 1.00 10.00 O ATOM 0 H GLY A 77 1.326 12.732 5.699 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.326 13.294 7.554 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.809 13.327 8.431 1.00 10.00 H new ATOM 1211 N THR A 78 3.138 10.790 6.734 1.00 10.00 N ATOM 1212 CA THR A 78 3.189 9.333 6.564 1.00 10.00 C ATOM 1213 C THR A 78 4.630 8.811 6.490 1.00 10.00 C ATOM 1214 O THR A 78 4.965 7.801 7.123 1.00 10.00 O ATOM 1215 CB THR A 78 2.315 8.903 5.365 1.00 10.00 C ATOM 1216 OG1 THR A 78 2.533 7.542 5.045 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.534 9.732 4.092 1.00 10.00 C ATOM 0 H THR A 78 3.851 11.285 6.199 1.00 10.00 H new ATOM 0 HA THR A 78 2.765 8.864 7.452 1.00 10.00 H new ATOM 0 HB THR A 78 1.291 9.073 5.697 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.969 7.290 4.284 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.881 9.363 3.301 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.303 10.778 4.295 1.00 10.00 H new ATOM 0 HG23 THR A 78 3.573 9.645 3.775 1.00 10.00 H new ATOM 1225 N LYS A 79 5.473 9.487 5.699 1.00 10.00 N ATOM 1226 CA LYS A 79 6.880 9.164 5.489 1.00 10.00 C ATOM 1227 C LYS A 79 7.438 9.996 4.339 1.00 10.00 C ATOM 1228 O LYS A 79 8.416 10.715 4.508 1.00 10.00 O ATOM 1229 CB LYS A 79 7.095 7.664 5.249 1.00 10.00 C ATOM 1230 CG LYS A 79 6.114 6.977 4.267 1.00 10.00 C ATOM 1231 CD LYS A 79 5.471 5.670 4.759 1.00 10.00 C ATOM 1232 CE LYS A 79 6.403 4.818 5.625 1.00 10.00 C ATOM 1233 NZ LYS A 79 6.214 5.107 7.069 1.00 10.00 N ATOM 0 H LYS A 79 5.176 10.306 5.169 1.00 10.00 H new ATOM 0 HA LYS A 79 7.425 9.414 6.399 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.109 7.519 4.876 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.032 7.152 6.209 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.318 7.682 4.027 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.646 6.770 3.339 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.574 5.909 5.331 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.153 5.084 3.897 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.213 3.761 5.436 1.00 10.00 H new ATOM 0 HE3 LYS A 79 7.439 5.011 5.346 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 7.133 5.068 7.554 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.803 6.056 7.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 5.573 4.400 7.484 1.00 10.00 H new ATOM 1247 N MET A 80 6.770 9.908 3.186 1.00 10.00 N ATOM 1248 CA MET A 80 7.010 10.727 2.012 1.00 10.00 C ATOM 1249 C MET A 80 8.323 10.358 1.325 1.00 10.00 C ATOM 1250 O MET A 80 9.347 11.003 1.534 1.00 10.00 O ATOM 1251 CB MET A 80 6.894 12.218 2.370 1.00 10.00 C ATOM 1252 CG MET A 80 6.304 13.009 1.204 1.00 10.00 C ATOM 1253 SD MET A 80 7.433 13.549 -0.099 1.00 10.00 S ATOM 1254 CE MET A 80 7.938 15.124 0.629 1.00 10.00 C ATOM 0 H MET A 80 6.017 9.234 3.047 1.00 10.00 H new ATOM 0 HA MET A 80 6.236 10.522 1.272 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.265 12.337 3.252 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.877 12.614 2.624 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.527 12.399 0.743 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.815 13.893 1.612 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.647 15.621 -0.034 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.063 15.759 0.766 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.410 14.944 1.595 1.00 10.00 H new ATOM 1264 N ILE A 81 8.274 9.308 0.495 1.00 10.00 N ATOM 1265 CA ILE A 81 9.465 8.748 -0.127 1.00 10.00 C ATOM 1266 C ILE A 81 9.728 9.231 -1.550 1.00 10.00 C ATOM 1267 O ILE A 81 10.882 9.409 -1.932 1.00 10.00 O ATOM 1268 CB ILE A 81 9.486 7.200 -0.048 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.085 6.577 -0.214 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.110 6.741 1.278 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.119 5.119 -0.688 1.00 10.00 C ATOM 0 H ILE A 81 7.409 8.830 0.241 1.00 10.00 H new ATOM 0 HA ILE A 81 10.292 9.137 0.467 1.00 10.00 H new ATOM 0 HB ILE A 81 10.096 6.850 -0.881 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.557 6.629 0.738 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.514 7.170 -0.928 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.118 5.652 1.319 1.00 10.00 H new ATOM 0 HG22 ILE A 81 11.132 7.114 1.348 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.524 7.131 2.110 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.100 4.744 -0.783 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.619 5.062 -1.655 1.00 10.00 H new ATOM 0 HD13 ILE A 81 8.662 4.513 0.037 1.00 10.00 H new ATOM 1283 N PHE A 82 8.684 9.422 -2.354 1.00 10.00 N ATOM 1284 CA PHE A 82 8.832 9.842 -3.740 1.00 10.00 C ATOM 1285 C PHE A 82 7.503 10.405 -4.232 1.00 10.00 C ATOM 1286 O PHE A 82 6.593 10.634 -3.429 1.00 10.00 O ATOM 1287 CB PHE A 82 9.405 8.711 -4.622 1.00 10.00 C ATOM 1288 CG PHE A 82 8.505 7.549 -5.024 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.473 7.076 -4.189 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.787 6.863 -6.221 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.736 5.933 -4.548 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.044 5.727 -6.585 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.020 5.258 -5.746 1.00 10.00 C ATOM 0 H PHE A 82 7.716 9.290 -2.061 1.00 10.00 H new ATOM 0 HA PHE A 82 9.570 10.641 -3.812 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.779 9.168 -5.538 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.266 8.293 -4.100 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.247 7.594 -3.269 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.581 7.213 -6.865 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.950 5.574 -3.901 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.261 5.214 -7.511 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.453 4.381 -6.021 1.00 10.00 H new ATOM 1303 N ALA A 83 7.394 10.695 -5.529 1.00 10.00 N ATOM 1304 CA ALA A 83 6.137 11.108 -6.134 1.00 10.00 C ATOM 1305 C ALA A 83 5.136 9.962 -6.029 1.00 10.00 C ATOM 1306 O ALA A 83 4.155 10.058 -5.297 1.00 10.00 O ATOM 1307 CB ALA A 83 6.371 11.523 -7.588 1.00 10.00 C ATOM 0 H ALA A 83 8.175 10.649 -6.184 1.00 10.00 H new ATOM 0 HA ALA A 83 5.729 11.971 -5.608 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.426 11.831 -8.035 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.076 12.354 -7.620 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.779 10.680 -8.146 1.00 10.00 H new ATOM 1313 N GLY A 84 5.410 8.882 -6.752 1.00 10.00 N ATOM 1314 CA GLY A 84 4.542 7.737 -6.872 1.00 10.00 C ATOM 1315 C GLY A 84 5.107 6.860 -7.974 1.00 10.00 C ATOM 1316 O GLY A 84 6.209 7.132 -8.448 1.00 10.00 O ATOM 0 H GLY A 84 6.274 8.785 -7.285 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.495 7.190 -5.931 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.525 8.048 -7.111 1.00 10.00 H new ATOM 1320 N ILE A 85 4.364 5.822 -8.367 1.00 10.00 N ATOM 1321 CA ILE A 85 4.802 4.803 -9.314 1.00 10.00 C ATOM 1322 C ILE A 85 5.443 5.408 -10.567 1.00 10.00 C ATOM 1323 O ILE A 85 6.669 5.511 -10.644 1.00 10.00 O ATOM 1324 CB ILE A 85 3.633 3.830 -9.585 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.396 2.922 -8.391 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.760 2.962 -10.849 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.611 2.059 -8.091 1.00 10.00 C ATOM 0 H ILE A 85 3.416 5.666 -8.024 1.00 10.00 H new ATOM 0 HA ILE A 85 5.610 4.216 -8.878 1.00 10.00 H new ATOM 0 HB ILE A 85 2.784 4.491 -9.759 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.154 3.526 -7.517 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.535 2.283 -8.585 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.884 2.319 -10.938 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.829 3.605 -11.726 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.657 2.346 -10.779 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.402 1.423 -7.230 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.837 1.436 -8.956 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.466 2.698 -7.871 1.00 10.00 H new ATOM 1339 N LYS A 86 4.639 5.726 -11.581 1.00 10.00 N ATOM 1340 CA LYS A 86 5.106 6.315 -12.830 1.00 10.00 C ATOM 1341 C LYS A 86 4.099 7.339 -13.348 1.00 10.00 C ATOM 1342 O LYS A 86 4.460 8.468 -13.666 1.00 10.00 O ATOM 1343 CB LYS A 86 5.338 5.231 -13.896 1.00 10.00 C ATOM 1344 CG LYS A 86 6.010 3.952 -13.372 1.00 10.00 C ATOM 1345 CD LYS A 86 6.941 3.341 -14.414 1.00 10.00 C ATOM 1346 CE LYS A 86 8.395 3.801 -14.218 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.531 5.272 -14.164 1.00 10.00 N ATOM 0 H LYS A 86 3.630 5.578 -11.555 1.00 10.00 H new ATOM 0 HA LYS A 86 6.053 6.816 -12.629 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.379 4.966 -14.340 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.954 5.649 -14.692 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.575 4.181 -12.468 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.246 3.226 -13.095 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.892 2.254 -14.353 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.603 3.620 -15.412 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.786 3.371 -13.296 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.006 3.414 -15.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.539 5.527 -14.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.093 5.692 -15.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.056 5.633 -13.312 1.00 10.00 H new ATOM 1361 N LYS A 87 2.849 6.896 -13.477 1.00 10.00 N ATOM 1362 CA LYS A 87 1.712 7.666 -13.927 1.00 10.00 C ATOM 1363 C LYS A 87 0.475 6.878 -13.490 1.00 10.00 C ATOM 1364 O LYS A 87 0.462 6.360 -12.377 1.00 10.00 O ATOM 1365 CB LYS A 87 1.822 7.947 -15.436 1.00 10.00 C ATOM 1366 CG LYS A 87 2.099 6.721 -16.326 1.00 10.00 C ATOM 1367 CD LYS A 87 2.367 7.119 -17.785 1.00 10.00 C ATOM 1368 CE LYS A 87 1.274 8.036 -18.359 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.430 8.247 -19.814 1.00 10.00 N ATOM 0 H LYS A 87 2.598 5.933 -13.255 1.00 10.00 H new ATOM 0 HA LYS A 87 1.654 8.661 -13.486 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.894 8.412 -15.769 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.618 8.675 -15.594 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.958 6.176 -15.935 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.246 6.043 -16.286 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.330 7.625 -17.848 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.439 6.219 -18.396 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.295 7.600 -18.160 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.305 8.999 -17.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.672 8.871 -20.158 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.353 8.687 -20.004 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 1.375 7.332 -20.305 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.514 6.699 -14.370 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.814 6.126 -14.029 1.00 10.00 C ATOM 1385 C LYS A 88 -2.014 4.727 -14.619 1.00 10.00 C ATOM 1386 O LYS A 88 -3.014 4.082 -14.322 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.930 7.132 -14.375 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.429 7.056 -15.827 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.818 6.394 -15.897 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.008 5.601 -17.198 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.435 5.382 -17.511 1.00 10.00 N ATOM 0 H LYS A 88 -0.430 6.953 -15.354 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.859 5.959 -12.953 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.773 6.964 -13.705 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.565 8.141 -14.182 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -3.478 8.059 -16.252 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.720 6.488 -16.430 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.946 5.728 -15.044 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.590 7.160 -15.823 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.535 6.136 -18.021 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.504 4.638 -17.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.517 4.843 -18.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.882 4.849 -16.738 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.912 6.300 -17.619 1.00 10.00 H new ATOM 1405 N THR A 89 -1.058 4.277 -15.437 1.00 10.00 N ATOM 1406 CA THR A 89 -1.071 3.013 -16.155 1.00 10.00 C ATOM 1407 C THR A 89 -0.429 1.945 -15.266 1.00 10.00 C ATOM 1408 O THR A 89 -1.089 1.032 -14.781 1.00 10.00 O ATOM 1409 CB THR A 89 -0.315 3.223 -17.482 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.942 4.261 -18.215 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.199 1.955 -18.339 1.00 10.00 C ATOM 0 H THR A 89 -0.213 4.818 -15.621 1.00 10.00 H new ATOM 0 HA THR A 89 -2.080 2.675 -16.390 1.00 10.00 H new ATOM 0 HB THR A 89 0.708 3.497 -17.226 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.464 4.400 -19.059 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.345 2.184 -19.255 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.336 1.187 -17.781 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.196 1.593 -18.590 1.00 10.00 H new ATOM 1419 N GLU A 90 0.866 2.082 -15.000 1.00 10.00 N ATOM 1420 CA GLU A 90 1.626 1.127 -14.218 1.00 10.00 C ATOM 1421 C GLU A 90 0.994 0.846 -12.855 1.00 10.00 C ATOM 1422 O GLU A 90 0.925 -0.303 -12.431 1.00 10.00 O ATOM 1423 CB GLU A 90 3.026 1.703 -14.047 1.00 10.00 C ATOM 1424 CG GLU A 90 3.881 1.435 -15.297 1.00 10.00 C ATOM 1425 CD GLU A 90 3.478 2.287 -16.497 1.00 10.00 C ATOM 1426 OE1 GLU A 90 2.872 3.360 -16.257 1.00 10.00 O ATOM 1427 OE2 GLU A 90 3.772 1.854 -17.628 1.00 10.00 O ATOM 0 H GLU A 90 1.420 2.873 -15.329 1.00 10.00 H new ATOM 0 HA GLU A 90 1.647 0.170 -14.739 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.963 2.776 -13.866 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.503 1.260 -13.173 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.928 1.625 -15.060 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.801 0.381 -15.565 1.00 10.00 H new ATOM 1434 N ARG A 91 0.529 1.881 -12.151 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.174 1.675 -10.898 1.00 10.00 C ATOM 1436 C ARG A 91 -1.389 0.754 -11.090 1.00 10.00 C ATOM 1437 O ARG A 91 -1.677 -0.081 -10.237 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.602 3.015 -10.298 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.427 3.899 -11.241 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.163 5.035 -10.511 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.493 5.247 -11.107 1.00 10.00 N ATOM 1442 CZ ARG A 91 -4.349 6.234 -10.797 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -4.027 7.166 -9.894 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -5.549 6.261 -11.388 1.00 10.00 N ATOM 0 H ARG A 91 0.629 2.857 -12.429 1.00 10.00 H new ATOM 0 HA ARG A 91 0.509 1.187 -10.203 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.184 2.826 -9.396 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.289 3.563 -9.993 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.769 4.327 -11.997 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.155 3.280 -11.766 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.265 4.791 -9.454 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.579 5.954 -10.571 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.791 4.583 -11.821 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -3.120 7.134 -9.429 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -4.689 7.909 -9.670 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -5.802 5.539 -12.063 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -6.211 7.004 -11.164 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.102 0.912 -12.210 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.291 0.120 -12.517 1.00 10.00 C ATOM 1460 C GLU A 92 -2.883 -1.352 -12.619 1.00 10.00 C ATOM 1461 O GLU A 92 -3.532 -2.244 -12.066 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.952 0.601 -13.828 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.354 1.184 -13.629 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.091 1.333 -14.958 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.450 0.268 -15.508 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.274 2.494 -15.400 1.00 10.00 O ATOM 0 H GLU A 92 -1.867 1.596 -12.930 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.027 0.242 -11.722 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.316 1.356 -14.290 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -4.011 -0.236 -14.524 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.927 0.538 -12.964 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.279 2.156 -13.142 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.777 -1.592 -13.324 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.221 -2.933 -13.474 1.00 10.00 C ATOM 1475 C ASP A 93 -0.849 -3.460 -12.081 1.00 10.00 C ATOM 1476 O ASP A 93 -1.210 -4.572 -11.710 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.001 -2.912 -14.415 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.339 -2.942 -15.903 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.533 -3.121 -16.232 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.619 -2.825 -16.696 1.00 10.00 O ATOM 0 H ASP A 93 -1.245 -0.866 -13.804 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.958 -3.598 -13.925 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.584 -2.016 -14.208 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.633 -3.768 -14.184 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.171 -2.635 -11.278 1.00 10.00 N ATOM 1486 CA LEU A 94 0.179 -2.947 -9.896 1.00 10.00 C ATOM 1487 C LEU A 94 -1.041 -3.454 -9.118 1.00 10.00 C ATOM 1488 O LEU A 94 -1.012 -4.561 -8.573 1.00 10.00 O ATOM 1489 CB LEU A 94 0.822 -1.721 -9.230 1.00 10.00 C ATOM 1490 CG LEU A 94 1.907 -2.093 -8.215 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.510 -0.820 -7.636 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.414 -2.973 -7.083 1.00 10.00 C ATOM 0 H LEU A 94 0.154 -1.716 -11.579 1.00 10.00 H new ATOM 0 HA LEU A 94 0.911 -3.755 -9.889 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.255 -1.082 -9.999 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.048 -1.138 -8.730 1.00 10.00 H new ATOM 0 HG LEU A 94 2.652 -2.675 -8.757 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.283 -1.080 -6.913 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.949 -0.227 -8.439 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.731 -0.240 -7.141 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.240 -3.193 -6.407 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.626 -2.455 -6.537 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.021 -3.904 -7.491 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.120 -2.659 -9.088 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.377 -3.037 -8.456 1.00 10.00 C ATOM 1506 C ILE A 95 -3.813 -4.433 -8.890 1.00 10.00 C ATOM 1507 O ILE A 95 -4.333 -5.184 -8.074 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.478 -1.992 -8.754 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.542 -0.946 -7.640 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.884 -2.606 -8.876 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.434 0.097 -7.709 1.00 10.00 C ATOM 0 H ILE A 95 -2.138 -1.729 -9.507 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.218 -3.061 -7.378 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.201 -1.548 -9.710 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.507 -0.441 -7.684 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.492 -1.452 -6.676 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.608 -1.819 -9.085 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.894 -3.333 -9.688 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.147 -3.102 -7.941 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.547 0.803 -6.886 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.465 -0.396 -7.633 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.496 0.631 -8.657 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.651 -4.772 -10.168 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.039 -6.082 -10.677 1.00 10.00 C ATOM 1525 C ALA A 96 -3.403 -7.207 -9.877 1.00 10.00 C ATOM 1526 O ALA A 96 -4.099 -8.102 -9.397 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.633 -6.238 -12.131 1.00 10.00 C ATOM 0 H ALA A 96 -3.251 -4.152 -10.872 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.123 -6.145 -10.583 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.933 -7.223 -12.489 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.122 -5.470 -12.730 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.552 -6.133 -12.220 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.074 -7.168 -9.756 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.371 -8.142 -8.946 1.00 10.00 C ATOM 1535 C TYR A 97 -1.918 -8.061 -7.541 1.00 10.00 C ATOM 1536 O TYR A 97 -2.440 -9.045 -7.029 1.00 10.00 O ATOM 1537 CB TYR A 97 0.131 -7.878 -8.944 1.00 10.00 C ATOM 1538 CG TYR A 97 0.907 -8.704 -7.935 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.919 -10.109 -8.030 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.647 -8.068 -6.919 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.698 -10.871 -7.141 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.484 -8.826 -6.083 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.504 -10.226 -6.186 1.00 10.00 C ATOM 1544 OH TYR A 97 3.353 -10.949 -5.404 1.00 10.00 O ATOM 0 H TYR A 97 -1.476 -6.476 -10.207 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.523 -9.139 -9.359 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.525 -8.078 -9.940 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.302 -6.821 -8.740 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.328 -10.603 -8.788 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.571 -6.999 -6.783 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.677 -11.950 -7.192 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.114 -8.330 -5.359 1.00 10.00 H new ATOM 0 HH TYR A 97 3.835 -10.346 -4.800 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.799 -6.877 -6.944 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.200 -6.619 -5.578 1.00 10.00 C ATOM 1556 C LEU A 98 -3.548 -7.266 -5.239 1.00 10.00 C ATOM 1557 O LEU A 98 -3.632 -7.996 -4.255 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.125 -5.103 -5.301 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.264 -4.796 -4.065 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.172 -3.780 -4.377 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.084 -4.240 -2.909 1.00 10.00 C ATOM 0 H LEU A 98 -1.412 -6.058 -7.413 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.502 -7.101 -4.893 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.709 -4.594 -6.170 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.130 -4.710 -5.152 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.825 -5.752 -3.779 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.415 -3.589 -3.479 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.478 -4.173 -5.159 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.627 -2.850 -4.717 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.429 -4.040 -2.061 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.569 -3.314 -3.219 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.842 -4.967 -2.618 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.582 -7.051 -6.061 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.900 -7.661 -5.921 1.00 10.00 C ATOM 1575 C LYS A 99 -5.807 -9.151 -5.603 1.00 10.00 C ATOM 1576 O LYS A 99 -6.456 -9.623 -4.671 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.751 -7.439 -7.188 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.664 -6.214 -7.045 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.758 -6.156 -8.128 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.385 -5.197 -9.269 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.511 -4.951 -10.195 1.00 10.00 N ATOM 0 H LYS A 99 -4.517 -6.427 -6.866 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.389 -7.170 -5.080 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.096 -7.307 -8.049 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.356 -8.325 -7.381 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.133 -6.229 -6.061 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -7.060 -5.308 -7.096 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.922 -7.155 -8.532 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.698 -5.836 -7.678 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.052 -4.249 -8.847 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.545 -5.611 -9.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.166 -4.978 -11.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.236 -5.685 -10.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.924 -4.017 -9.999 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.025 -9.890 -6.390 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.870 -11.316 -6.175 1.00 10.00 C ATOM 1597 C LYS A 100 -3.941 -11.535 -4.992 1.00 10.00 C ATOM 1598 O LYS A 100 -4.338 -12.141 -4.007 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.332 -12.000 -7.435 1.00 10.00 C ATOM 1600 CG LYS A 100 -5.278 -11.822 -8.627 1.00 10.00 C ATOM 1601 CD LYS A 100 -6.132 -13.067 -8.921 1.00 10.00 C ATOM 1602 CE LYS A 100 -7.167 -13.354 -7.822 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.978 -14.550 -8.125 1.00 10.00 N ATOM 0 H LYS A 100 -4.493 -9.520 -7.178 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.841 -11.761 -5.956 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.354 -11.588 -7.683 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.190 -13.063 -7.239 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.937 -10.976 -8.435 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.692 -11.575 -9.512 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -6.647 -12.932 -9.872 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.478 -13.932 -9.033 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.655 -13.495 -6.870 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -7.823 -12.491 -7.707 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.663 -14.708 -7.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -8.487 -14.407 -9.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.356 -15.379 -8.209 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.725 -11.003 -5.099 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.597 -11.211 -4.199 1.00 10.00 C ATOM 1619 C ALA A 101 -2.029 -11.073 -2.747 1.00 10.00 C ATOM 1620 O ALA A 101 -1.762 -11.909 -1.894 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.508 -10.185 -4.514 1.00 10.00 C ATOM 0 H ALA A 101 -2.488 -10.375 -5.867 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.212 -12.220 -4.345 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.338 -10.336 -3.844 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.180 -10.308 -5.546 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.905 -9.179 -4.377 1.00 10.00 H new ATOM 1627 N THR A 102 -2.728 -9.984 -2.460 1.00 10.00 N ATOM 1628 CA THR A 102 -3.150 -9.706 -1.106 1.00 10.00 C ATOM 1629 C THR A 102 -4.046 -10.809 -0.550 1.00 10.00 C ATOM 1630 O THR A 102 -4.059 -11.048 0.652 1.00 10.00 O ATOM 1631 CB THR A 102 -3.855 -8.362 -1.063 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.932 -8.378 -1.978 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.831 -7.271 -1.378 1.00 10.00 C ATOM 0 H THR A 102 -3.011 -9.285 -3.147 1.00 10.00 H new ATOM 0 HA THR A 102 -2.264 -9.671 -0.471 1.00 10.00 H new ATOM 0 HB THR A 102 -4.271 -8.157 -0.077 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.621 -8.072 -2.855 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.318 -6.296 -1.352 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.032 -7.297 -0.637 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.412 -7.441 -2.370 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.804 -11.453 -1.429 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.747 -12.508 -1.133 1.00 10.00 C ATOM 1643 C ASN A 103 -5.212 -13.854 -1.651 1.00 10.00 C ATOM 1644 O ASN A 103 -6.006 -14.727 -2.000 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.078 -12.111 -1.799 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.964 -11.250 -0.899 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.181 -11.572 0.265 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.515 -10.158 -1.426 1.00 10.00 N ATOM 0 H ASN A 103 -4.770 -11.235 -2.425 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.897 -12.632 -0.060 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.869 -11.567 -2.720 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -7.622 -13.014 -2.078 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.129 -9.573 -0.860 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.322 -9.907 -2.396 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.887 -14.038 -1.709 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.251 -15.202 -2.302 1.00 10.00 C ATOM 1657 C GLU A 104 -1.930 -15.486 -1.565 1.00 10.00 C ATOM 1658 O GLU A 104 -1.530 -16.671 -1.517 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.110 -14.902 -3.804 1.00 10.00 C ATOM 1660 CG GLU A 104 -2.598 -16.052 -4.667 1.00 10.00 C ATOM 1661 CD GLU A 104 -3.032 -15.862 -6.121 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -4.175 -16.264 -6.439 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -2.238 -15.274 -6.886 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.367 -14.528 -0.988 1.00 10.00 O ATOM 0 H GLU A 104 -3.221 -13.363 -1.335 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.830 -16.120 -2.201 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.083 -14.592 -4.186 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -2.435 -14.055 -3.924 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.511 -16.102 -4.609 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -2.982 -16.999 -4.287 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.485 5.140 0.583 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.820 3.848 0.411 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.233 3.073 1.334 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.478 3.941 2.128 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.633 5.219 1.663 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.806 5.923 0.014 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.173 6.121 2.067 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.865 3.647 2.980 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.481 3.481 -0.374 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.395 1.124 1.536 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.969 1.347 3.909 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.098 0.243 -0.821 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.846 1.195 -0.910 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.826 1.364 3.918 1.00 10.00 C HETATM 1686 NA HEC A 110 1.419 0.911 1.523 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.606 1.061 2.611 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.757 0.858 2.173 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.725 0.592 0.825 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.668 0.570 0.443 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.916 0.312 -0.080 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.993 0.863 3.032 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.265 -0.500 3.669 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.341 -0.768 4.854 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.264 -1.365 4.629 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.691 -0.275 5.948 1.00 10.00 O HETATM 1697 NB HEC A 110 3.467 0.784 -0.466 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.414 0.361 -1.206 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.896 0.013 -2.524 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.222 0.379 -2.586 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.573 0.839 -1.262 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.102 -0.699 -3.596 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.168 0.196 -3.770 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.615 0.748 -5.099 1.00 10.00 C HETATM 1705 NC HEC A 110 5.431 1.355 1.496 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.219 1.359 0.391 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.598 1.477 0.794 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.607 1.387 2.166 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.221 1.392 2.596 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.796 1.528 -0.134 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.775 1.002 3.054 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.182 1.485 2.676 1.00 10.00 C HETATM 1713 ND HEC A 110 3.397 1.332 3.532 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.508 1.388 4.308 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.083 1.531 5.682 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.713 1.533 5.682 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.280 1.390 4.312 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.934 1.772 6.912 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.872 1.803 6.903 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.777 3.309 7.182 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.805 3.654 8.675 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.203 2.908 9.476 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.457 4.673 8.999 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.641 0.951 7.031 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.480 2.708 6.799 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.293 1.830 7.792 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.836 0.614 -0.727 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.705 2.388 -0.798 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.709 1.619 0.455 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.789 -1.676 -3.228 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.222 -0.108 -3.850 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.722 -0.827 -4.484 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.445 -0.571 0.278 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.591 1.168 -0.069 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.567 0.138 -1.098 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 2.603 3.816 6.684 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 0.856 3.695 6.745 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.447 1.100 1.691 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.199 2.575 2.656 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.901 1.124 3.412 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.685 0.237 -5.346 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.426 1.817 -4.998 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.343 0.581 -5.893 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -3.303 -0.546 4.000 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -2.134 -1.283 2.922 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.873 1.392 6.759 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.304 1.296 7.766 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.884 1.612 3.816 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.851 1.156 2.427 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.595 1.321 4.689 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.586 1.353 -1.695 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.370 -0.123 -1.545 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.187 1.546 4.642 1.00 10.00 H new HETATM 0 H2D HEC A 110 3.263 4.404 9.487 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.118 -0.624 6.662 1.00 10.00 H new