USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 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 Single : A 1 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.018) USER MOD Single : A 1 HIS N :NH3+ -114:sc= 0.107 (180deg=-0.0553) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -4.15! C(o=-4.1!,f=-5.2!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 27 SER OG : rot 180:sc= -0.132 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 31 THR OG1 : rot 103:sc= 0.517 USER MOD Single : A 33 SER OG : rot 156:sc= -0.923 USER MOD Single : A 35 SER OG : rot -87:sc= -4.27! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.447 K(o=-0.45,f=-3.2!) USER MOD Single : A 49 CYS SG : rot 5:sc= -0.203 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0265 K(o=-0.027,f=-0.53) USER MOD Single : A 61 HIS : no HD1:sc= -0.966 X(o=-0.97,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.22) USER MOD Single : A 69 ASN : amide:sc= -0.832 K(o=-0.83,f=-12!) USER MOD Single : A 73 HIS : no HE2:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -179:sc= -0.667 USER MOD Single : A 86 SER OG : rot 64:sc= 1.31 USER MOD Single : A 90 THR OG1 : rot 88:sc= 0.465 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 7.489 -15.459 -0.057 1.00 0.00 N ATOM 2 CA HIS A 1 6.237 -15.501 0.744 1.00 0.00 C ATOM 3 C HIS A 1 5.026 -15.149 -0.112 1.00 0.00 C ATOM 4 O HIS A 1 5.162 -14.817 -1.290 1.00 0.00 O ATOM 5 CB HIS A 1 6.368 -14.516 1.909 1.00 0.00 C ATOM 6 CG HIS A 1 7.094 -15.081 3.090 1.00 0.00 C ATOM 7 ND1 HIS A 1 6.576 -15.072 4.368 1.00 0.00 N ATOM 8 CD2 HIS A 1 8.308 -15.676 3.183 1.00 0.00 C ATOM 9 CE1 HIS A 1 7.438 -15.637 5.195 1.00 0.00 C ATOM 10 NE2 HIS A 1 8.496 -16.012 4.501 1.00 0.00 N ATOM 0 H1 HIS A 1 7.887 -16.417 -0.129 1.00 0.00 H new ATOM 0 H2 HIS A 1 7.280 -15.098 -1.010 1.00 0.00 H new ATOM 0 H3 HIS A 1 8.177 -14.832 0.407 1.00 0.00 H new ATOM 0 HA HIS A 1 6.088 -16.512 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 1 6.891 -13.624 1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 1 5.373 -14.201 2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 1 8.999 -15.853 2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 1 7.300 -15.769 6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 1 9.320 -16.476 4.882 1.00 0.00 H new ATOM 21 N SER A 2 3.842 -15.227 0.484 1.00 0.00 N ATOM 22 CA SER A 2 2.607 -14.920 -0.228 1.00 0.00 C ATOM 23 C SER A 2 2.244 -13.445 -0.089 1.00 0.00 C ATOM 24 O SER A 2 1.323 -13.088 0.646 1.00 0.00 O ATOM 25 CB SER A 2 1.462 -15.789 0.297 1.00 0.00 C ATOM 26 OG SER A 2 0.273 -15.564 -0.440 1.00 0.00 O ATOM 0 H SER A 2 3.711 -15.500 1.458 1.00 0.00 H new ATOM 0 HA SER A 2 2.767 -15.136 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.740 -16.841 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.288 -15.569 1.350 1.00 0.00 H new ATOM 0 HG SER A 2 -0.443 -16.132 -0.087 1.00 0.00 H new ATOM 32 N VAL A 3 2.967 -12.591 -0.806 1.00 0.00 N ATOM 33 CA VAL A 3 2.711 -11.158 -0.765 1.00 0.00 C ATOM 34 C VAL A 3 1.687 -10.763 -1.830 1.00 0.00 C ATOM 35 O VAL A 3 1.796 -11.178 -2.984 1.00 0.00 O ATOM 36 CB VAL A 3 4.005 -10.347 -0.977 1.00 0.00 C ATOM 37 CG1 VAL A 3 5.002 -10.635 0.136 1.00 0.00 C ATOM 38 CG2 VAL A 3 4.611 -10.651 -2.340 1.00 0.00 C ATOM 0 H VAL A 3 3.733 -12.867 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 3 2.315 -10.929 0.224 1.00 0.00 H new ATOM 0 HB VAL A 3 3.757 -9.286 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.910 -10.054 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.565 -10.360 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.246 -11.697 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.523 -10.069 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.846 -11.713 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.898 -10.389 -3.122 1.00 0.00 H new ATOM 48 N PRO A 4 0.669 -9.964 -1.460 1.00 0.00 N ATOM 49 CA PRO A 4 -0.374 -9.535 -2.399 1.00 0.00 C ATOM 50 C PRO A 4 0.167 -8.657 -3.518 1.00 0.00 C ATOM 51 O PRO A 4 1.262 -8.103 -3.418 1.00 0.00 O ATOM 52 CB PRO A 4 -1.354 -8.733 -1.532 1.00 0.00 C ATOM 53 CG PRO A 4 -1.014 -9.071 -0.120 1.00 0.00 C ATOM 54 CD PRO A 4 0.445 -9.425 -0.109 1.00 0.00 C ATOM 0 HA PRO A 4 -0.828 -10.392 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.252 -7.663 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.386 -8.998 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.214 -8.227 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.619 -9.905 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.070 -8.553 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.675 -10.161 0.662 1.00 0.00 H new ATOM 62 N GLU A 5 -0.618 -8.529 -4.583 1.00 0.00 N ATOM 63 CA GLU A 5 -0.232 -7.709 -5.725 1.00 0.00 C ATOM 64 C GLU A 5 -1.273 -6.632 -5.981 1.00 0.00 C ATOM 65 O GLU A 5 -1.021 -5.443 -5.787 1.00 0.00 O ATOM 66 CB GLU A 5 -0.048 -8.579 -6.969 1.00 0.00 C ATOM 67 CG GLU A 5 1.403 -8.717 -7.399 1.00 0.00 C ATOM 68 CD GLU A 5 1.549 -9.041 -8.873 1.00 0.00 C ATOM 69 OE1 GLU A 5 0.630 -9.672 -9.436 1.00 0.00 O ATOM 70 OE2 GLU A 5 2.583 -8.663 -9.464 1.00 0.00 O ATOM 0 H GLU A 5 -1.526 -8.983 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 5 0.718 -7.225 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.457 -9.570 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.624 -8.152 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.932 -7.789 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.879 -9.501 -6.810 1.00 0.00 H new ATOM 77 N SER A 6 -2.446 -7.064 -6.405 1.00 0.00 N ATOM 78 CA SER A 6 -3.547 -6.150 -6.679 1.00 0.00 C ATOM 79 C SER A 6 -4.220 -5.731 -5.375 1.00 0.00 C ATOM 80 O SER A 6 -3.936 -6.294 -4.317 1.00 0.00 O ATOM 81 CB SER A 6 -4.565 -6.809 -7.612 1.00 0.00 C ATOM 82 OG SER A 6 -4.383 -6.378 -8.950 1.00 0.00 O ATOM 0 H SER A 6 -2.665 -8.047 -6.569 1.00 0.00 H new ATOM 0 HA SER A 6 -3.149 -5.262 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.464 -7.893 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.575 -6.567 -7.283 1.00 0.00 H new ATOM 0 HG SER A 6 -5.044 -6.814 -9.527 1.00 0.00 H new ATOM 88 N ILE A 7 -5.108 -4.745 -5.447 1.00 0.00 N ATOM 89 CA ILE A 7 -5.805 -4.270 -4.259 1.00 0.00 C ATOM 90 C ILE A 7 -7.310 -4.451 -4.404 1.00 0.00 C ATOM 91 O ILE A 7 -8.047 -3.490 -4.623 1.00 0.00 O ATOM 92 CB ILE A 7 -5.490 -2.788 -3.979 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.980 -2.540 -4.057 1.00 0.00 C ATOM 94 CG2 ILE A 7 -6.035 -2.374 -2.618 1.00 0.00 C ATOM 95 CD1 ILE A 7 -3.160 -3.497 -3.221 1.00 0.00 C ATOM 0 H ILE A 7 -5.360 -4.263 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.452 -4.867 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.978 -2.179 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.662 -2.616 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.772 -1.520 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.803 -1.324 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.116 -2.515 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.577 -2.986 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.102 -3.259 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.449 -3.405 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.337 -4.518 -3.558 1.00 0.00 H new ATOM 107 N ARG A 8 -7.755 -5.697 -4.286 1.00 0.00 N ATOM 108 CA ARG A 8 -9.170 -6.021 -4.409 1.00 0.00 C ATOM 109 C ARG A 8 -9.881 -5.893 -3.065 1.00 0.00 C ATOM 110 O ARG A 8 -9.905 -6.836 -2.274 1.00 0.00 O ATOM 111 CB ARG A 8 -9.341 -7.440 -4.957 1.00 0.00 C ATOM 112 CG ARG A 8 -10.362 -7.540 -6.077 1.00 0.00 C ATOM 113 CD ARG A 8 -11.729 -7.051 -5.629 1.00 0.00 C ATOM 114 NE ARG A 8 -12.620 -6.808 -6.761 1.00 0.00 N ATOM 115 CZ ARG A 8 -13.243 -7.773 -7.433 1.00 0.00 C ATOM 116 NH1 ARG A 8 -13.075 -9.045 -7.091 1.00 0.00 N ATOM 117 NH2 ARG A 8 -14.036 -7.467 -8.450 1.00 0.00 N ATOM 0 H ARG A 8 -7.154 -6.501 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.620 -5.311 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.378 -7.798 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.640 -8.101 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.026 -6.952 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.436 -8.575 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.179 -7.789 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.615 -6.132 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.773 -5.843 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.466 -9.287 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.555 -9.780 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.169 -6.492 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.513 -8.207 -8.965 1.00 0.00 H new ATOM 131 N PHE A 9 -10.466 -4.726 -2.818 1.00 0.00 N ATOM 132 CA PHE A 9 -11.186 -4.483 -1.574 1.00 0.00 C ATOM 133 C PHE A 9 -12.628 -4.077 -1.859 1.00 0.00 C ATOM 134 O PHE A 9 -12.915 -2.910 -2.124 1.00 0.00 O ATOM 135 CB PHE A 9 -10.487 -3.400 -0.748 1.00 0.00 C ATOM 136 CG PHE A 9 -10.274 -2.110 -1.488 1.00 0.00 C ATOM 137 CD1 PHE A 9 -9.229 -1.976 -2.388 1.00 0.00 C ATOM 138 CD2 PHE A 9 -11.114 -1.029 -1.276 1.00 0.00 C ATOM 139 CE1 PHE A 9 -9.028 -0.788 -3.066 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.917 0.162 -1.950 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.873 0.282 -2.846 1.00 0.00 C ATOM 0 H PHE A 9 -10.456 -3.935 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.192 -5.409 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.078 -3.201 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.521 -3.779 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.564 -2.809 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.932 -1.118 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.211 -0.697 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.579 0.998 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.718 1.211 -3.374 1.00 0.00 H new ATOM 151 N GLY A 10 -13.530 -5.051 -1.808 1.00 0.00 N ATOM 152 CA GLY A 10 -14.931 -4.779 -2.068 1.00 0.00 C ATOM 153 C GLY A 10 -15.203 -4.525 -3.539 1.00 0.00 C ATOM 154 O GLY A 10 -14.484 -5.034 -4.400 1.00 0.00 O ATOM 0 H GLY A 10 -13.316 -6.024 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.532 -5.623 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.245 -3.911 -1.487 1.00 0.00 H new ATOM 158 N PRO A 11 -16.239 -3.735 -3.863 1.00 0.00 N ATOM 159 CA PRO A 11 -16.588 -3.422 -5.253 1.00 0.00 C ATOM 160 C PRO A 11 -15.520 -2.580 -5.946 1.00 0.00 C ATOM 161 O PRO A 11 -15.518 -2.450 -7.170 1.00 0.00 O ATOM 162 CB PRO A 11 -17.894 -2.632 -5.127 1.00 0.00 C ATOM 163 CG PRO A 11 -17.873 -2.073 -3.747 1.00 0.00 C ATOM 164 CD PRO A 11 -17.148 -3.083 -2.903 1.00 0.00 C ATOM 0 HA PRO A 11 -16.678 -4.323 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.950 -1.840 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.761 -3.275 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.365 -1.109 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.885 -1.909 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.600 -2.608 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.836 -3.798 -2.451 1.00 0.00 H new ATOM 172 N ASN A 12 -14.614 -2.009 -5.158 1.00 0.00 N ATOM 173 CA ASN A 12 -13.543 -1.179 -5.698 1.00 0.00 C ATOM 174 C ASN A 12 -12.306 -2.017 -6.019 1.00 0.00 C ATOM 175 O ASN A 12 -11.932 -2.908 -5.255 1.00 0.00 O ATOM 176 CB ASN A 12 -13.177 -0.078 -4.701 1.00 0.00 C ATOM 177 CG ASN A 12 -14.169 1.068 -4.714 1.00 0.00 C ATOM 178 OD1 ASN A 12 -15.366 0.866 -4.919 1.00 0.00 O ATOM 179 ND2 ASN A 12 -13.675 2.281 -4.494 1.00 0.00 N ATOM 0 H ASN A 12 -14.600 -2.106 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.901 -0.726 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.129 -0.502 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.183 0.303 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.295 3.091 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.676 2.402 -4.329 1.00 0.00 H new ATOM 186 N VAL A 13 -11.673 -1.717 -7.148 1.00 0.00 N ATOM 187 CA VAL A 13 -10.471 -2.431 -7.573 1.00 0.00 C ATOM 188 C VAL A 13 -9.342 -1.447 -7.856 1.00 0.00 C ATOM 189 O VAL A 13 -9.500 -0.534 -8.664 1.00 0.00 O ATOM 190 CB VAL A 13 -10.732 -3.273 -8.836 1.00 0.00 C ATOM 191 CG1 VAL A 13 -9.526 -4.142 -9.156 1.00 0.00 C ATOM 192 CG2 VAL A 13 -11.986 -4.120 -8.666 1.00 0.00 C ATOM 0 H VAL A 13 -11.973 -0.982 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.185 -3.099 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.894 -2.597 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.728 -4.730 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.656 -3.508 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.328 -4.812 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.153 -4.708 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.860 -4.790 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.843 -3.470 -8.492 1.00 0.00 H new ATOM 202 N PHE A 14 -8.208 -1.627 -7.182 1.00 0.00 N ATOM 203 CA PHE A 14 -7.068 -0.734 -7.362 1.00 0.00 C ATOM 204 C PHE A 14 -5.805 -1.519 -7.706 1.00 0.00 C ATOM 205 O PHE A 14 -5.568 -2.601 -7.171 1.00 0.00 O ATOM 206 CB PHE A 14 -6.857 0.091 -6.089 1.00 0.00 C ATOM 207 CG PHE A 14 -5.622 0.948 -6.100 1.00 0.00 C ATOM 208 CD1 PHE A 14 -4.402 0.426 -5.708 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.684 2.279 -6.485 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.266 1.211 -5.700 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.552 3.069 -6.476 1.00 0.00 C ATOM 212 CZ PHE A 14 -3.343 2.534 -6.083 1.00 0.00 C ATOM 0 H PHE A 14 -8.055 -2.379 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.278 -0.063 -8.195 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.727 0.731 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.807 -0.586 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.337 -0.608 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.628 2.702 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.319 0.790 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.613 4.105 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.457 3.151 -6.075 1.00 0.00 H new ATOM 222 N TYR A 15 -5.000 -0.964 -8.607 1.00 0.00 N ATOM 223 CA TYR A 15 -3.763 -1.611 -9.028 1.00 0.00 C ATOM 224 C TYR A 15 -2.555 -0.971 -8.351 1.00 0.00 C ATOM 225 O TYR A 15 -2.505 0.245 -8.167 1.00 0.00 O ATOM 226 CB TYR A 15 -3.616 -1.532 -10.548 1.00 0.00 C ATOM 227 CG TYR A 15 -4.574 -2.432 -11.295 1.00 0.00 C ATOM 228 CD1 TYR A 15 -4.226 -3.739 -11.611 1.00 0.00 C ATOM 229 CD2 TYR A 15 -5.829 -1.975 -11.681 1.00 0.00 C ATOM 230 CE1 TYR A 15 -5.100 -4.565 -12.291 1.00 0.00 C ATOM 231 CE2 TYR A 15 -6.708 -2.796 -12.361 1.00 0.00 C ATOM 232 CZ TYR A 15 -6.339 -4.090 -12.664 1.00 0.00 C ATOM 233 OH TYR A 15 -7.212 -4.910 -13.341 1.00 0.00 O ATOM 0 H TYR A 15 -5.182 -0.068 -9.059 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.808 -2.658 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.774 -0.502 -10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.594 -1.797 -10.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.256 -4.116 -11.320 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.121 -0.962 -11.446 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.814 -5.579 -12.529 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.680 -2.426 -12.654 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.041 -4.422 -13.528 1.00 0.00 H new ATOM 243 N VAL A 16 -1.587 -1.801 -7.980 1.00 0.00 N ATOM 244 CA VAL A 16 -0.378 -1.322 -7.318 1.00 0.00 C ATOM 245 C VAL A 16 0.619 -0.733 -8.316 1.00 0.00 C ATOM 246 O VAL A 16 1.645 -0.180 -7.921 1.00 0.00 O ATOM 247 CB VAL A 16 0.314 -2.449 -6.529 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.477 -2.789 -5.274 1.00 0.00 C ATOM 249 CG2 VAL A 16 0.498 -3.682 -7.402 1.00 0.00 C ATOM 0 H VAL A 16 -1.615 -2.810 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.695 -0.539 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 16 1.300 -2.098 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.028 -3.587 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.548 -1.906 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.478 -3.117 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.989 -4.466 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.475 -4.036 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.113 -3.428 -8.265 1.00 0.00 H new ATOM 259 N LEU A 17 0.318 -0.852 -9.608 1.00 0.00 N ATOM 260 CA LEU A 17 1.201 -0.328 -10.646 1.00 0.00 C ATOM 261 C LEU A 17 0.529 0.802 -11.422 1.00 0.00 C ATOM 262 O LEU A 17 1.159 1.813 -11.733 1.00 0.00 O ATOM 263 CB LEU A 17 1.613 -1.444 -11.608 1.00 0.00 C ATOM 264 CG LEU A 17 2.012 -2.764 -10.940 1.00 0.00 C ATOM 265 CD1 LEU A 17 1.002 -3.855 -11.263 1.00 0.00 C ATOM 266 CD2 LEU A 17 3.409 -3.184 -11.374 1.00 0.00 C ATOM 0 H LEU A 17 -0.526 -1.304 -9.959 1.00 0.00 H new ATOM 0 HA LEU A 17 2.090 0.071 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.786 -1.636 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.450 -1.092 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 17 2.019 -2.612 -9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.303 -4.784 -10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.018 -3.559 -10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.960 -4.004 -12.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.674 -4.123 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.430 -3.316 -12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.126 -2.414 -11.089 1.00 0.00 H new ATOM 278 N LYS A 18 -0.750 0.623 -11.735 1.00 0.00 N ATOM 279 CA LYS A 18 -1.502 1.627 -12.479 1.00 0.00 C ATOM 280 C LYS A 18 -1.946 2.771 -11.570 1.00 0.00 C ATOM 281 O LYS A 18 -2.161 3.892 -12.030 1.00 0.00 O ATOM 282 CB LYS A 18 -2.721 0.989 -13.148 1.00 0.00 C ATOM 283 CG LYS A 18 -2.380 -0.215 -14.012 1.00 0.00 C ATOM 284 CD LYS A 18 -3.600 -0.730 -14.757 1.00 0.00 C ATOM 285 CE LYS A 18 -3.206 -1.634 -15.914 1.00 0.00 C ATOM 286 NZ LYS A 18 -2.682 -2.948 -15.445 1.00 0.00 N ATOM 0 H LYS A 18 -1.287 -0.207 -11.485 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.845 2.036 -13.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.430 0.684 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.221 1.737 -13.763 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.604 0.057 -14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.972 -1.009 -13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.243 -1.278 -14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.180 0.112 -15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.071 -1.798 -16.557 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.448 -1.137 -16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.426 -3.533 -16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.841 -2.795 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.413 -3.435 -14.888 1.00 0.00 H new ATOM 300 N LEU A 19 -2.080 2.483 -10.278 1.00 0.00 N ATOM 301 CA LEU A 19 -2.497 3.491 -9.311 1.00 0.00 C ATOM 302 C LEU A 19 -3.872 4.052 -9.663 1.00 0.00 C ATOM 303 O LEU A 19 -4.088 5.263 -9.619 1.00 0.00 O ATOM 304 CB LEU A 19 -1.473 4.631 -9.254 1.00 0.00 C ATOM 305 CG LEU A 19 -0.142 4.313 -8.558 1.00 0.00 C ATOM 306 CD1 LEU A 19 -0.329 3.323 -7.418 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.867 3.786 -9.559 1.00 0.00 C ATOM 0 H LEU A 19 -1.906 1.561 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.557 3.012 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.258 4.950 -10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.932 5.478 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 19 0.238 5.241 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.634 3.122 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.011 3.743 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.744 2.393 -7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.805 3.566 -9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.482 2.876 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.041 4.537 -10.330 1.00 0.00 H new ATOM 319 N THR A 20 -4.800 3.167 -10.013 1.00 0.00 N ATOM 320 CA THR A 20 -6.151 3.585 -10.372 1.00 0.00 C ATOM 321 C THR A 20 -7.197 2.671 -9.742 1.00 0.00 C ATOM 322 O THR A 20 -7.240 1.474 -10.024 1.00 0.00 O ATOM 323 CB THR A 20 -6.315 3.593 -11.893 1.00 0.00 C ATOM 324 OG1 THR A 20 -5.165 4.133 -12.519 1.00 0.00 O ATOM 325 CG2 THR A 20 -7.512 4.393 -12.361 1.00 0.00 C ATOM 0 H THR A 20 -4.643 2.160 -10.056 1.00 0.00 H new ATOM 0 HA THR A 20 -6.303 4.594 -9.988 1.00 0.00 H new ATOM 0 HB THR A 20 -6.463 2.550 -12.173 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.289 4.128 -13.491 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.570 4.358 -13.449 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.422 3.970 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.407 5.428 -12.037 1.00 0.00 H new ATOM 333 N VAL A 21 -8.047 3.246 -8.893 1.00 0.00 N ATOM 334 CA VAL A 21 -9.098 2.479 -8.233 1.00 0.00 C ATOM 335 C VAL A 21 -10.457 2.757 -8.867 1.00 0.00 C ATOM 336 O VAL A 21 -10.971 3.874 -8.797 1.00 0.00 O ATOM 337 CB VAL A 21 -9.170 2.776 -6.717 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.391 4.257 -6.459 1.00 0.00 C ATOM 339 CG2 VAL A 21 -10.261 1.941 -6.056 1.00 0.00 C ATOM 0 H VAL A 21 -8.028 4.236 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.844 1.427 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.213 2.500 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.437 4.436 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.567 4.828 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.327 4.571 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.295 2.165 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.224 2.178 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.045 0.882 -6.198 1.00 0.00 H new ATOM 349 N GLU A 22 -11.036 1.731 -9.486 1.00 0.00 N ATOM 350 CA GLU A 22 -12.336 1.862 -10.132 1.00 0.00 C ATOM 351 C GLU A 22 -13.455 1.871 -9.096 1.00 0.00 C ATOM 352 O GLU A 22 -13.614 0.921 -8.329 1.00 0.00 O ATOM 353 CB GLU A 22 -12.553 0.722 -11.131 1.00 0.00 C ATOM 354 CG GLU A 22 -12.971 1.199 -12.513 1.00 0.00 C ATOM 355 CD GLU A 22 -12.506 0.268 -13.616 1.00 0.00 C ATOM 356 OE1 GLU A 22 -12.616 -0.963 -13.440 1.00 0.00 O ATOM 357 OE2 GLU A 22 -12.033 0.772 -14.657 1.00 0.00 O ATOM 0 H GLU A 22 -10.624 0.800 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.355 2.810 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.632 0.145 -11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.316 0.048 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.057 1.287 -12.550 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.565 2.195 -12.688 1.00 0.00 H new ATOM 364 N THR A 23 -14.225 2.954 -9.076 1.00 0.00 N ATOM 365 CA THR A 23 -15.326 3.092 -8.131 1.00 0.00 C ATOM 366 C THR A 23 -16.663 2.769 -8.795 1.00 0.00 C ATOM 367 O THR A 23 -16.757 2.705 -10.020 1.00 0.00 O ATOM 368 CB THR A 23 -15.355 4.514 -7.567 1.00 0.00 C ATOM 369 OG1 THR A 23 -15.080 5.461 -8.584 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.356 4.737 -6.452 1.00 0.00 C ATOM 0 H THR A 23 -14.106 3.749 -9.704 1.00 0.00 H new ATOM 0 HA THR A 23 -15.168 2.383 -7.318 1.00 0.00 H new ATOM 0 HB THR A 23 -16.359 4.645 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.105 6.364 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.429 5.765 -6.098 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.570 4.054 -5.630 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.348 4.553 -6.824 1.00 0.00 H new ATOM 378 N PRO A 24 -17.721 2.560 -7.989 1.00 0.00 N ATOM 379 CA PRO A 24 -19.056 2.242 -8.503 1.00 0.00 C ATOM 380 C PRO A 24 -19.503 3.204 -9.600 1.00 0.00 C ATOM 381 O PRO A 24 -20.109 2.793 -10.590 1.00 0.00 O ATOM 382 CB PRO A 24 -19.946 2.389 -7.269 1.00 0.00 C ATOM 383 CG PRO A 24 -19.051 2.089 -6.123 1.00 0.00 C ATOM 384 CD PRO A 24 -17.700 2.614 -6.514 1.00 0.00 C ATOM 0 HA PRO A 24 -19.093 1.254 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.359 3.395 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.789 1.699 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.408 2.568 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.013 1.018 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.545 3.630 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.897 2.003 -6.102 1.00 0.00 H new ATOM 392 N GLU A 25 -19.201 4.485 -9.418 1.00 0.00 N ATOM 393 CA GLU A 25 -19.572 5.505 -10.393 1.00 0.00 C ATOM 394 C GLU A 25 -18.683 5.427 -11.629 1.00 0.00 C ATOM 395 O GLU A 25 -19.170 5.254 -12.746 1.00 0.00 O ATOM 396 CB GLU A 25 -19.475 6.897 -9.768 1.00 0.00 C ATOM 397 CG GLU A 25 -20.295 7.949 -10.497 1.00 0.00 C ATOM 398 CD GLU A 25 -21.772 7.611 -10.537 1.00 0.00 C ATOM 399 OE1 GLU A 25 -22.396 7.548 -9.457 1.00 0.00 O ATOM 400 OE2 GLU A 25 -22.305 7.409 -11.649 1.00 0.00 O ATOM 0 H GLU A 25 -18.700 4.842 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 25 -20.602 5.322 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.806 6.844 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.430 7.208 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.160 8.913 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.922 8.054 -11.516 1.00 0.00 H new ATOM 407 N GLY A 26 -17.377 5.556 -11.422 1.00 0.00 N ATOM 408 CA GLY A 26 -16.441 5.498 -12.529 1.00 0.00 C ATOM 409 C GLY A 26 -15.065 5.030 -12.100 1.00 0.00 C ATOM 410 O GLY A 26 -14.867 3.851 -11.806 1.00 0.00 O ATOM 0 H GLY A 26 -16.950 5.700 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.828 4.825 -13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.360 6.485 -12.985 1.00 0.00 H new ATOM 414 N SER A 27 -14.111 5.954 -12.063 1.00 0.00 N ATOM 415 CA SER A 27 -12.747 5.627 -11.666 1.00 0.00 C ATOM 416 C SER A 27 -12.138 6.747 -10.829 1.00 0.00 C ATOM 417 O SER A 27 -12.703 7.836 -10.725 1.00 0.00 O ATOM 418 CB SER A 27 -11.881 5.367 -12.900 1.00 0.00 C ATOM 419 OG SER A 27 -10.681 4.700 -12.551 1.00 0.00 O ATOM 0 H SER A 27 -14.257 6.935 -12.303 1.00 0.00 H new ATOM 0 HA SER A 27 -12.781 4.723 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.438 4.766 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.646 6.313 -13.389 1.00 0.00 H new ATOM 0 HG SER A 27 -10.147 4.544 -13.358 1.00 0.00 H new ATOM 425 N VAL A 28 -10.984 6.472 -10.231 1.00 0.00 N ATOM 426 CA VAL A 28 -10.300 7.455 -9.399 1.00 0.00 C ATOM 427 C VAL A 28 -8.797 7.454 -9.668 1.00 0.00 C ATOM 428 O VAL A 28 -8.184 6.398 -9.822 1.00 0.00 O ATOM 429 CB VAL A 28 -10.545 7.184 -7.903 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.879 8.246 -7.043 1.00 0.00 C ATOM 431 CG2 VAL A 28 -12.037 7.111 -7.612 1.00 0.00 C ATOM 0 H VAL A 28 -10.502 5.576 -10.307 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.709 8.432 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.099 6.221 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.067 8.032 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.805 8.243 -7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.287 9.225 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.192 6.919 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.507 8.057 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.482 6.305 -8.195 1.00 0.00 H new ATOM 441 N HIS A 29 -8.211 8.647 -9.721 1.00 0.00 N ATOM 442 CA HIS A 29 -6.780 8.786 -9.969 1.00 0.00 C ATOM 443 C HIS A 29 -6.073 9.381 -8.757 1.00 0.00 C ATOM 444 O HIS A 29 -6.519 10.380 -8.194 1.00 0.00 O ATOM 445 CB HIS A 29 -6.535 9.666 -11.195 1.00 0.00 C ATOM 446 CG HIS A 29 -5.200 9.441 -11.835 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.869 8.278 -12.499 1.00 0.00 N ATOM 448 CD2 HIS A 29 -4.108 10.240 -11.914 1.00 0.00 C ATOM 449 CE1 HIS A 29 -3.633 8.371 -12.957 1.00 0.00 C ATOM 450 NE2 HIS A 29 -3.150 9.551 -12.616 1.00 0.00 N ATOM 0 H HIS A 29 -8.705 9.531 -9.596 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.373 7.792 -10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.318 9.478 -11.930 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.617 10.713 -10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.010 11.233 -11.502 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.107 7.611 -13.515 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.216 9.895 -12.838 1.00 0.00 H new ATOM 459 N LEU A 30 -4.966 8.761 -8.361 1.00 0.00 N ATOM 460 CA LEU A 30 -4.198 9.233 -7.217 1.00 0.00 C ATOM 461 C LEU A 30 -2.705 9.225 -7.523 1.00 0.00 C ATOM 462 O LEU A 30 -2.256 8.558 -8.455 1.00 0.00 O ATOM 463 CB LEU A 30 -4.484 8.364 -5.989 1.00 0.00 C ATOM 464 CG LEU A 30 -4.491 6.854 -6.242 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.198 6.414 -6.905 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.702 6.096 -4.942 1.00 0.00 C ATOM 0 H LEU A 30 -4.582 7.932 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.502 10.258 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.737 8.584 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.452 8.651 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.318 6.626 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.224 5.338 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.084 6.930 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.356 6.658 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.704 5.024 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.897 6.334 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.657 6.385 -4.503 1.00 0.00 H new ATOM 478 N THR A 31 -1.940 9.964 -6.728 1.00 0.00 N ATOM 479 CA THR A 31 -0.497 10.032 -6.912 1.00 0.00 C ATOM 480 C THR A 31 0.165 8.744 -6.424 1.00 0.00 C ATOM 481 O THR A 31 -0.114 8.278 -5.319 1.00 0.00 O ATOM 482 CB THR A 31 0.079 11.231 -6.159 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.791 12.345 -6.250 1.00 0.00 O ATOM 484 CG2 THR A 31 1.435 11.663 -6.673 1.00 0.00 C ATOM 0 H THR A 31 -2.295 10.523 -5.952 1.00 0.00 H new ATOM 0 HA THR A 31 -0.292 10.151 -7.976 1.00 0.00 H new ATOM 0 HB THR A 31 0.188 10.900 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.286 12.443 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.787 12.518 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.142 10.840 -6.570 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.354 11.943 -7.723 1.00 0.00 H new ATOM 492 N PRO A 32 1.049 8.145 -7.241 1.00 0.00 N ATOM 493 CA PRO A 32 1.738 6.902 -6.878 1.00 0.00 C ATOM 494 C PRO A 32 2.607 7.048 -5.637 1.00 0.00 C ATOM 495 O PRO A 32 3.012 6.055 -5.034 1.00 0.00 O ATOM 496 CB PRO A 32 2.602 6.586 -8.105 1.00 0.00 C ATOM 497 CG PRO A 32 2.722 7.879 -8.838 1.00 0.00 C ATOM 498 CD PRO A 32 1.441 8.619 -8.579 1.00 0.00 C ATOM 0 HA PRO A 32 1.027 6.114 -6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.581 6.207 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.138 5.821 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.581 8.450 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.867 7.711 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.588 9.699 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.683 8.388 -9.327 1.00 0.00 H new ATOM 506 N SER A 33 2.886 8.284 -5.254 1.00 0.00 N ATOM 507 CA SER A 33 3.701 8.542 -4.079 1.00 0.00 C ATOM 508 C SER A 33 2.909 8.270 -2.816 1.00 0.00 C ATOM 509 O SER A 33 3.286 7.434 -1.995 1.00 0.00 O ATOM 510 CB SER A 33 4.200 9.985 -4.081 1.00 0.00 C ATOM 511 OG SER A 33 4.782 10.322 -5.329 1.00 0.00 O ATOM 0 H SER A 33 2.561 9.121 -5.738 1.00 0.00 H new ATOM 0 HA SER A 33 4.561 7.873 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.371 10.660 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.933 10.121 -3.286 1.00 0.00 H new ATOM 0 HG SER A 33 4.742 11.293 -5.457 1.00 0.00 H new ATOM 517 N GLU A 34 1.804 8.974 -2.678 1.00 0.00 N ATOM 518 CA GLU A 34 0.939 8.804 -1.524 1.00 0.00 C ATOM 519 C GLU A 34 0.174 7.499 -1.635 1.00 0.00 C ATOM 520 O GLU A 34 -0.184 6.892 -0.628 1.00 0.00 O ATOM 521 CB GLU A 34 -0.018 9.989 -1.377 1.00 0.00 C ATOM 522 CG GLU A 34 -0.811 10.296 -2.637 1.00 0.00 C ATOM 523 CD GLU A 34 -0.825 11.775 -2.971 1.00 0.00 C ATOM 524 OE1 GLU A 34 0.183 12.457 -2.690 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.844 12.252 -3.514 1.00 0.00 O ATOM 0 H GLU A 34 1.482 9.670 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 34 1.559 8.768 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.713 9.784 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.554 10.873 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.385 9.742 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.836 9.946 -2.511 1.00 0.00 H new ATOM 532 N SER A 35 -0.028 7.038 -2.862 1.00 0.00 N ATOM 533 CA SER A 35 -0.697 5.772 -3.075 1.00 0.00 C ATOM 534 C SER A 35 0.350 4.665 -3.065 1.00 0.00 C ATOM 535 O SER A 35 0.024 3.480 -3.028 1.00 0.00 O ATOM 536 CB SER A 35 -1.485 5.783 -4.386 1.00 0.00 C ATOM 537 OG SER A 35 -0.632 5.625 -5.506 1.00 0.00 O ATOM 0 H SER A 35 0.260 7.519 -3.714 1.00 0.00 H new ATOM 0 HA SER A 35 -1.417 5.596 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.224 4.982 -4.374 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.033 6.721 -4.474 1.00 0.00 H new ATOM 0 HG SER A 35 -0.295 6.501 -5.787 1.00 0.00 H new ATOM 543 N GLY A 36 1.623 5.075 -3.078 1.00 0.00 N ATOM 544 CA GLY A 36 2.711 4.127 -3.047 1.00 0.00 C ATOM 545 C GLY A 36 2.959 3.610 -1.648 1.00 0.00 C ATOM 546 O GLY A 36 3.429 2.486 -1.468 1.00 0.00 O ATOM 0 H GLY A 36 1.911 6.053 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.485 3.291 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.617 4.599 -3.427 1.00 0.00 H new ATOM 550 N ILE A 37 2.636 4.431 -0.651 1.00 0.00 N ATOM 551 CA ILE A 37 2.824 4.036 0.740 1.00 0.00 C ATOM 552 C ILE A 37 1.837 2.943 1.127 1.00 0.00 C ATOM 553 O ILE A 37 2.171 2.031 1.884 1.00 0.00 O ATOM 554 CB ILE A 37 2.686 5.231 1.709 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.746 4.752 3.162 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.394 5.988 1.449 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.050 5.855 4.149 1.00 0.00 C ATOM 0 H ILE A 37 2.247 5.365 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 37 3.841 3.653 0.825 1.00 0.00 H new ATOM 0 HB ILE A 37 3.520 5.911 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.793 4.293 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.508 3.977 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.317 6.825 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.392 6.363 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.545 5.319 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.077 5.443 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.017 6.299 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.276 6.620 4.090 1.00 0.00 H new ATOM 569 N LEU A 38 0.631 3.027 0.586 1.00 0.00 N ATOM 570 CA LEU A 38 -0.393 2.026 0.861 1.00 0.00 C ATOM 571 C LEU A 38 -0.058 0.734 0.130 1.00 0.00 C ATOM 572 O LEU A 38 -0.461 -0.354 0.540 1.00 0.00 O ATOM 573 CB LEU A 38 -1.782 2.530 0.446 1.00 0.00 C ATOM 574 CG LEU A 38 -2.116 2.401 -1.045 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.810 1.075 -1.327 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.982 3.567 -1.504 1.00 0.00 C ATOM 0 H LEU A 38 0.337 3.774 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.413 1.836 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.533 1.983 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.868 3.579 0.730 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.183 2.425 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.039 1.003 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.154 0.253 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.735 1.019 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.208 3.457 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.911 3.577 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.447 4.503 -1.342 1.00 0.00 H new ATOM 588 N LYS A 39 0.695 0.872 -0.956 1.00 0.00 N ATOM 589 CA LYS A 39 1.107 -0.268 -1.756 1.00 0.00 C ATOM 590 C LYS A 39 2.143 -1.093 -1.013 1.00 0.00 C ATOM 591 O LYS A 39 2.193 -2.313 -1.151 1.00 0.00 O ATOM 592 CB LYS A 39 1.671 0.207 -3.096 1.00 0.00 C ATOM 593 CG LYS A 39 1.838 -0.902 -4.121 1.00 0.00 C ATOM 594 CD LYS A 39 3.290 -1.345 -4.239 1.00 0.00 C ATOM 595 CE LYS A 39 3.946 -0.794 -5.497 1.00 0.00 C ATOM 596 NZ LYS A 39 4.497 -1.878 -6.358 1.00 0.00 N ATOM 0 H LYS A 39 1.033 1.770 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 39 0.235 -0.895 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.011 0.971 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.638 0.679 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.219 -1.754 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.483 -0.557 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.845 -1.010 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.339 -2.434 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.216 -0.216 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.747 -0.109 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.935 -1.461 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.212 -2.414 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.729 -2.517 -6.646 1.00 0.00 H new ATOM 610 N ARG A 40 2.965 -0.417 -0.222 1.00 0.00 N ATOM 611 CA ARG A 40 4.002 -1.090 0.550 1.00 0.00 C ATOM 612 C ARG A 40 3.398 -1.832 1.731 1.00 0.00 C ATOM 613 O ARG A 40 3.812 -2.944 2.061 1.00 0.00 O ATOM 614 CB ARG A 40 5.044 -0.080 1.035 1.00 0.00 C ATOM 615 CG ARG A 40 6.416 -0.276 0.413 1.00 0.00 C ATOM 616 CD ARG A 40 6.581 0.547 -0.856 1.00 0.00 C ATOM 617 NE ARG A 40 7.011 -0.272 -1.986 1.00 0.00 N ATOM 618 CZ ARG A 40 6.939 0.119 -3.257 1.00 0.00 C ATOM 619 NH1 ARG A 40 6.457 1.317 -3.564 1.00 0.00 N ATOM 620 NH2 ARG A 40 7.351 -0.690 -4.223 1.00 0.00 N ATOM 0 H ARG A 40 2.935 0.595 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 40 4.493 -1.817 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.693 0.927 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.132 -0.153 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.185 0.006 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.565 -1.331 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.636 1.033 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.311 1.338 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 40 7.389 -1.199 -1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.139 1.944 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.404 1.611 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.723 -1.611 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.296 -0.391 -5.197 1.00 0.00 H new ATOM 634 N LEU A 41 2.411 -1.214 2.354 1.00 0.00 N ATOM 635 CA LEU A 41 1.734 -1.818 3.494 1.00 0.00 C ATOM 636 C LEU A 41 0.838 -2.962 3.037 1.00 0.00 C ATOM 637 O LEU A 41 0.491 -3.845 3.822 1.00 0.00 O ATOM 638 CB LEU A 41 0.915 -0.771 4.252 1.00 0.00 C ATOM 639 CG LEU A 41 1.740 0.239 5.053 1.00 0.00 C ATOM 640 CD1 LEU A 41 0.831 1.173 5.837 1.00 0.00 C ATOM 641 CD2 LEU A 41 2.703 -0.480 5.988 1.00 0.00 C ATOM 0 H LEU A 41 2.058 -0.294 2.092 1.00 0.00 H new ATOM 0 HA LEU A 41 2.491 -2.218 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.297 -0.227 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.237 -1.285 4.933 1.00 0.00 H new ATOM 0 HG LEU A 41 2.323 0.838 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.437 1.883 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.184 1.715 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.220 0.591 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.281 0.254 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.139 -1.105 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.379 -1.105 5.404 1.00 0.00 H new ATOM 653 N LEU A 42 0.477 -2.949 1.757 1.00 0.00 N ATOM 654 CA LEU A 42 -0.365 -3.995 1.195 1.00 0.00 C ATOM 655 C LEU A 42 0.446 -5.262 0.963 1.00 0.00 C ATOM 656 O LEU A 42 -0.090 -6.369 0.998 1.00 0.00 O ATOM 657 CB LEU A 42 -1.006 -3.522 -0.113 1.00 0.00 C ATOM 658 CG LEU A 42 -2.481 -3.125 -0.005 1.00 0.00 C ATOM 659 CD1 LEU A 42 -3.352 -4.353 0.222 1.00 0.00 C ATOM 660 CD2 LEU A 42 -2.682 -2.108 1.111 1.00 0.00 C ATOM 0 H LEU A 42 0.755 -2.227 1.093 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.160 -4.219 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.442 -2.668 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.912 -4.316 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.782 -2.663 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.396 -4.050 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.233 -5.043 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.051 -4.847 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.736 -1.838 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.363 -2.540 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.091 -1.216 0.902 1.00 0.00 H new ATOM 672 N ILE A 43 1.746 -5.095 0.740 1.00 0.00 N ATOM 673 CA ILE A 43 2.628 -6.235 0.521 1.00 0.00 C ATOM 674 C ILE A 43 2.765 -7.053 1.798 1.00 0.00 C ATOM 675 O ILE A 43 2.948 -8.270 1.754 1.00 0.00 O ATOM 676 CB ILE A 43 4.032 -5.796 0.059 1.00 0.00 C ATOM 677 CG1 ILE A 43 3.932 -4.800 -1.096 1.00 0.00 C ATOM 678 CG2 ILE A 43 4.856 -7.007 -0.354 1.00 0.00 C ATOM 679 CD1 ILE A 43 3.080 -5.287 -2.248 1.00 0.00 C ATOM 0 H ILE A 43 2.209 -4.187 0.706 1.00 0.00 H new ATOM 0 HA ILE A 43 2.176 -6.839 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 43 4.531 -5.304 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.519 -3.863 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.935 -4.582 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.845 -6.681 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.957 -7.685 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.358 -7.524 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.056 -4.527 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.503 -6.208 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.066 -5.477 -1.896 1.00 0.00 H new ATOM 691 N ASN A 44 2.671 -6.374 2.938 1.00 0.00 N ATOM 692 CA ASN A 44 2.782 -7.033 4.232 1.00 0.00 C ATOM 693 C ASN A 44 1.405 -7.375 4.783 1.00 0.00 C ATOM 694 O ASN A 44 1.177 -8.474 5.289 1.00 0.00 O ATOM 695 CB ASN A 44 3.535 -6.138 5.217 1.00 0.00 C ATOM 696 CG ASN A 44 4.925 -5.782 4.726 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.108 -4.810 3.993 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.914 -6.572 5.128 1.00 0.00 N ATOM 0 H ASN A 44 2.518 -5.367 2.990 1.00 0.00 H new ATOM 0 HA ASN A 44 3.339 -7.960 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.965 -5.223 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.611 -6.644 6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.871 -6.384 4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.717 -7.367 5.736 1.00 0.00 H new ATOM 705 N LYS A 45 0.494 -6.423 4.674 1.00 0.00 N ATOM 706 CA LYS A 45 -0.873 -6.599 5.150 1.00 0.00 C ATOM 707 C LYS A 45 -0.901 -6.967 6.630 1.00 0.00 C ATOM 708 O LYS A 45 -0.860 -8.143 6.990 1.00 0.00 O ATOM 709 CB LYS A 45 -1.586 -7.676 4.333 1.00 0.00 C ATOM 710 CG LYS A 45 -2.096 -7.183 2.990 1.00 0.00 C ATOM 711 CD LYS A 45 -3.588 -6.894 3.032 1.00 0.00 C ATOM 712 CE LYS A 45 -3.883 -5.566 3.710 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.454 -5.752 5.072 1.00 0.00 N ATOM 0 H LYS A 45 0.676 -5.511 4.256 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.394 -5.650 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.902 -8.508 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.425 -8.063 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.557 -6.279 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.891 -7.932 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.985 -6.881 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.100 -7.696 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.965 -4.982 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.581 -4.994 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.641 -4.823 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.343 -6.288 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.778 -6.276 5.663 1.00 0.00 H new ATOM 727 N GLY A 46 -0.975 -5.951 7.483 1.00 0.00 N ATOM 728 CA GLY A 46 -1.013 -6.183 8.915 1.00 0.00 C ATOM 729 C GLY A 46 0.313 -6.670 9.463 1.00 0.00 C ATOM 730 O GLY A 46 0.620 -7.860 9.402 1.00 0.00 O ATOM 0 H GLY A 46 -1.009 -4.969 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.294 -5.259 9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.786 -6.918 9.140 1.00 0.00 H new ATOM 734 N GLN A 47 1.101 -5.745 10.000 1.00 0.00 N ATOM 735 CA GLN A 47 2.402 -6.081 10.565 1.00 0.00 C ATOM 736 C GLN A 47 2.965 -4.907 11.360 1.00 0.00 C ATOM 737 O GLN A 47 2.524 -3.769 11.200 1.00 0.00 O ATOM 738 CB GLN A 47 3.375 -6.483 9.454 1.00 0.00 C ATOM 739 CG GLN A 47 3.573 -7.986 9.336 1.00 0.00 C ATOM 740 CD GLN A 47 5.034 -8.391 9.367 1.00 0.00 C ATOM 741 OE1 GLN A 47 5.920 -7.556 9.548 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.293 -9.681 9.189 1.00 0.00 N ATOM 0 H GLN A 47 0.861 -4.755 10.056 1.00 0.00 H new ATOM 0 HA GLN A 47 2.274 -6.925 11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.008 -6.097 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.340 -6.011 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.046 -8.482 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.124 -8.335 8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.528 -10.339 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.257 -10.014 9.199 1.00 0.00 H new ATOM 751 N LEU A 48 3.938 -5.190 12.220 1.00 0.00 N ATOM 752 CA LEU A 48 4.556 -4.154 13.041 1.00 0.00 C ATOM 753 C LEU A 48 5.662 -3.433 12.274 1.00 0.00 C ATOM 754 O LEU A 48 6.801 -3.897 12.226 1.00 0.00 O ATOM 755 CB LEU A 48 5.120 -4.764 14.327 1.00 0.00 C ATOM 756 CG LEU A 48 4.739 -4.029 15.615 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.298 -2.614 15.611 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.227 -4.008 15.787 1.00 0.00 C ATOM 0 H LEU A 48 4.315 -6.126 12.367 1.00 0.00 H new ATOM 0 HA LEU A 48 3.788 -3.424 13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.778 -5.796 14.401 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.207 -4.793 14.251 1.00 0.00 H new ATOM 0 HG LEU A 48 5.174 -4.564 16.459 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.016 -2.109 16.535 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.385 -2.652 15.535 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.894 -2.066 14.760 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.973 -3.482 16.707 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.771 -3.497 14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.852 -5.030 15.838 1.00 0.00 H new ATOM 770 N CYS A 49 5.318 -2.294 11.679 1.00 0.00 N ATOM 771 CA CYS A 49 6.284 -1.507 10.918 1.00 0.00 C ATOM 772 C CYS A 49 6.181 -0.028 11.273 1.00 0.00 C ATOM 773 O CYS A 49 5.320 0.688 10.762 1.00 0.00 O ATOM 774 CB CYS A 49 6.069 -1.699 9.417 1.00 0.00 C ATOM 775 SG CYS A 49 6.367 -3.386 8.838 1.00 0.00 S ATOM 0 H CYS A 49 4.379 -1.896 11.709 1.00 0.00 H new ATOM 0 HA CYS A 49 7.282 -1.858 11.180 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.046 -1.416 9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.728 -1.019 8.877 1.00 0.00 H new ATOM 0 HG CYS A 49 6.607 -4.158 9.856 1.00 0.00 H new ATOM 781 N LEU A 50 7.069 0.420 12.153 1.00 0.00 N ATOM 782 CA LEU A 50 7.092 1.814 12.589 1.00 0.00 C ATOM 783 C LEU A 50 7.158 2.761 11.396 1.00 0.00 C ATOM 784 O LEU A 50 7.594 2.376 10.311 1.00 0.00 O ATOM 785 CB LEU A 50 8.284 2.067 13.522 1.00 0.00 C ATOM 786 CG LEU A 50 8.587 0.957 14.538 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.315 0.236 14.965 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.594 -0.028 13.962 1.00 0.00 C ATOM 0 H LEU A 50 7.787 -0.164 12.581 1.00 0.00 H new ATOM 0 HA LEU A 50 6.167 2.007 13.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.172 2.225 12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.103 2.993 14.068 1.00 0.00 H new ATOM 0 HG LEU A 50 9.020 1.421 15.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.563 -0.544 15.685 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.630 0.948 15.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.841 -0.213 14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.799 -0.809 14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.186 -0.477 13.056 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.519 0.496 13.722 1.00 0.00 H new ATOM 800 N ARG A 51 6.728 4.003 11.604 1.00 0.00 N ATOM 801 CA ARG A 51 6.746 5.002 10.540 1.00 0.00 C ATOM 802 C ARG A 51 8.133 5.101 9.929 1.00 0.00 C ATOM 803 O ARG A 51 8.288 5.157 8.710 1.00 0.00 O ATOM 804 CB ARG A 51 6.307 6.367 11.075 1.00 0.00 C ATOM 805 CG ARG A 51 7.107 6.837 12.278 1.00 0.00 C ATOM 806 CD ARG A 51 6.502 8.090 12.890 1.00 0.00 C ATOM 807 NE ARG A 51 7.525 9.009 13.382 1.00 0.00 N ATOM 808 CZ ARG A 51 7.262 10.088 14.115 1.00 0.00 C ATOM 809 NH1 ARG A 51 6.010 10.388 14.441 1.00 0.00 N ATOM 810 NH2 ARG A 51 8.252 10.869 14.523 1.00 0.00 N ATOM 0 H ARG A 51 6.365 4.340 12.495 1.00 0.00 H new ATOM 0 HA ARG A 51 6.044 4.690 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.397 7.106 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.253 6.319 11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.142 6.045 13.026 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.136 7.037 11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.888 8.597 12.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.842 7.810 13.711 1.00 0.00 H new ATOM 0 HE ARG A 51 8.499 8.812 13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.245 9.790 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.814 11.216 15.003 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.215 10.643 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.051 11.696 15.085 1.00 0.00 H new ATOM 824 N LYS A 52 9.137 5.100 10.793 1.00 0.00 N ATOM 825 CA LYS A 52 10.528 5.170 10.357 1.00 0.00 C ATOM 826 C LYS A 52 10.863 4.002 9.447 1.00 0.00 C ATOM 827 O LYS A 52 11.817 4.051 8.673 1.00 0.00 O ATOM 828 CB LYS A 52 11.466 5.186 11.565 1.00 0.00 C ATOM 829 CG LYS A 52 11.234 4.033 12.529 1.00 0.00 C ATOM 830 CD LYS A 52 10.654 4.513 13.851 1.00 0.00 C ATOM 831 CE LYS A 52 11.749 4.796 14.868 1.00 0.00 C ATOM 832 NZ LYS A 52 11.250 5.613 16.009 1.00 0.00 N ATOM 0 H LYS A 52 9.016 5.051 11.805 1.00 0.00 H new ATOM 0 HA LYS A 52 10.665 6.095 9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.498 5.154 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.340 6.127 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.556 3.310 12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.176 3.516 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.067 5.416 13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.974 3.759 14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.148 3.854 15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.572 5.319 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.026 5.784 16.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.892 6.523 15.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.482 5.104 16.491 1.00 0.00 H new ATOM 846 N HIS A 53 10.060 2.958 9.539 1.00 0.00 N ATOM 847 CA HIS A 53 10.243 1.778 8.723 1.00 0.00 C ATOM 848 C HIS A 53 9.471 1.922 7.424 1.00 0.00 C ATOM 849 O HIS A 53 9.891 1.435 6.374 1.00 0.00 O ATOM 850 CB HIS A 53 9.752 0.564 9.491 1.00 0.00 C ATOM 851 CG HIS A 53 10.232 -0.743 8.939 1.00 0.00 C ATOM 852 ND1 HIS A 53 9.469 -1.533 8.104 1.00 0.00 N ATOM 853 CD2 HIS A 53 11.403 -1.401 9.111 1.00 0.00 C ATOM 854 CE1 HIS A 53 10.150 -2.620 7.788 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.326 -2.564 8.385 1.00 0.00 N ATOM 0 H HIS A 53 9.267 2.907 10.179 1.00 0.00 H new ATOM 0 HA HIS A 53 11.300 1.656 8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.075 0.649 10.529 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.662 0.566 9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.241 -1.072 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.803 -3.419 7.149 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.059 -3.270 8.318 1.00 0.00 H new ATOM 864 N LEU A 54 8.341 2.607 7.510 1.00 0.00 N ATOM 865 CA LEU A 54 7.498 2.837 6.351 1.00 0.00 C ATOM 866 C LEU A 54 8.148 3.844 5.422 1.00 0.00 C ATOM 867 O LEU A 54 8.058 3.727 4.203 1.00 0.00 O ATOM 868 CB LEU A 54 6.110 3.321 6.780 1.00 0.00 C ATOM 869 CG LEU A 54 4.981 2.307 6.571 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.185 2.116 7.853 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.068 2.751 5.436 1.00 0.00 C ATOM 0 H LEU A 54 7.987 3.014 8.376 1.00 0.00 H new ATOM 0 HA LEU A 54 7.380 1.894 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.145 3.591 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.871 4.229 6.226 1.00 0.00 H new ATOM 0 HG LEU A 54 5.427 1.350 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.388 1.392 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.845 1.751 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.751 3.068 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.272 2.019 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.632 3.721 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.645 2.832 4.515 1.00 0.00 H new ATOM 883 N LEU A 55 8.821 4.824 6.003 1.00 0.00 N ATOM 884 CA LEU A 55 9.501 5.835 5.202 1.00 0.00 C ATOM 885 C LEU A 55 10.688 5.219 4.486 1.00 0.00 C ATOM 886 O LEU A 55 11.019 5.599 3.365 1.00 0.00 O ATOM 887 CB LEU A 55 9.965 7.022 6.053 1.00 0.00 C ATOM 888 CG LEU A 55 10.495 6.682 7.449 1.00 0.00 C ATOM 889 CD1 LEU A 55 12.013 6.714 7.473 1.00 0.00 C ATOM 890 CD2 LEU A 55 9.914 7.642 8.478 1.00 0.00 C ATOM 0 H LEU A 55 8.912 4.943 7.012 1.00 0.00 H new ATOM 0 HA LEU A 55 8.785 6.211 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.747 7.550 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.130 7.714 6.162 1.00 0.00 H new ATOM 0 HG LEU A 55 10.180 5.670 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.366 6.469 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.404 5.985 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.360 7.710 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.298 7.391 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.201 8.663 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.827 7.560 8.479 1.00 0.00 H new ATOM 902 N GLU A 56 11.318 4.258 5.143 1.00 0.00 N ATOM 903 CA GLU A 56 12.471 3.575 4.577 1.00 0.00 C ATOM 904 C GLU A 56 12.089 2.805 3.321 1.00 0.00 C ATOM 905 O GLU A 56 12.917 2.601 2.432 1.00 0.00 O ATOM 906 CB GLU A 56 13.085 2.623 5.606 1.00 0.00 C ATOM 907 CG GLU A 56 14.110 3.284 6.513 1.00 0.00 C ATOM 908 CD GLU A 56 15.272 2.368 6.843 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.169 1.611 7.832 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.285 2.406 6.113 1.00 0.00 O ATOM 0 H GLU A 56 11.049 3.932 6.072 1.00 0.00 H new ATOM 0 HA GLU A 56 13.208 4.331 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.288 2.202 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.558 1.792 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.488 4.186 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.624 3.596 7.437 1.00 0.00 H new ATOM 917 N GLU A 57 10.835 2.381 3.249 1.00 0.00 N ATOM 918 CA GLU A 57 10.358 1.633 2.089 1.00 0.00 C ATOM 919 C GLU A 57 9.788 2.562 1.023 1.00 0.00 C ATOM 920 O GLU A 57 9.554 2.146 -0.112 1.00 0.00 O ATOM 921 CB GLU A 57 9.326 0.583 2.505 1.00 0.00 C ATOM 922 CG GLU A 57 8.162 1.143 3.306 1.00 0.00 C ATOM 923 CD GLU A 57 7.117 0.091 3.627 1.00 0.00 C ATOM 924 OE1 GLU A 57 7.402 -1.109 3.427 1.00 0.00 O ATOM 925 OE2 GLU A 57 6.015 0.467 4.079 1.00 0.00 O ATOM 0 H GLU A 57 10.133 2.539 3.972 1.00 0.00 H new ATOM 0 HA GLU A 57 11.214 1.117 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.937 0.096 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.823 -0.186 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.538 1.572 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.696 1.954 2.746 1.00 0.00 H new ATOM 932 N ILE A 58 9.601 3.826 1.377 1.00 0.00 N ATOM 933 CA ILE A 58 9.104 4.812 0.431 1.00 0.00 C ATOM 934 C ILE A 58 10.258 5.706 -0.020 1.00 0.00 C ATOM 935 O ILE A 58 10.186 6.359 -1.060 1.00 0.00 O ATOM 936 CB ILE A 58 7.964 5.676 1.017 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.905 4.793 1.685 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.323 6.513 -0.079 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.006 5.544 2.650 1.00 0.00 C ATOM 0 H ILE A 58 9.786 4.191 2.311 1.00 0.00 H new ATOM 0 HA ILE A 58 8.688 4.272 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 58 8.390 6.339 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.289 4.332 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.403 3.985 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.522 7.117 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.073 7.167 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.914 5.856 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.282 4.855 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.610 5.983 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.479 6.335 2.116 1.00 0.00 H new ATOM 951 N LYS A 59 11.341 5.699 0.763 1.00 0.00 N ATOM 952 CA LYS A 59 12.529 6.474 0.437 1.00 0.00 C ATOM 953 C LYS A 59 13.438 5.663 -0.480 1.00 0.00 C ATOM 954 O LYS A 59 14.200 6.222 -1.269 1.00 0.00 O ATOM 955 CB LYS A 59 13.287 6.870 1.708 1.00 0.00 C ATOM 956 CG LYS A 59 13.502 8.368 1.849 1.00 0.00 C ATOM 957 CD LYS A 59 14.426 8.690 3.012 1.00 0.00 C ATOM 958 CE LYS A 59 14.781 10.167 3.052 1.00 0.00 C ATOM 959 NZ LYS A 59 15.469 10.538 4.319 1.00 0.00 N ATOM 0 H LYS A 59 11.414 5.162 1.627 1.00 0.00 H new ATOM 0 HA LYS A 59 12.218 7.385 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.737 6.507 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.256 6.371 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.925 8.765 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.542 8.862 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.946 8.405 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.338 8.098 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.424 10.409 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.874 10.762 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.694 11.553 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.846 10.331 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.348 9.989 4.410 1.00 0.00 H new ATOM 973 N ASN A 60 13.344 4.334 -0.377 1.00 0.00 N ATOM 974 CA ASN A 60 14.147 3.449 -1.202 1.00 0.00 C ATOM 975 C ASN A 60 13.423 3.130 -2.507 1.00 0.00 C ATOM 976 O ASN A 60 13.503 2.013 -3.019 1.00 0.00 O ATOM 977 CB ASN A 60 14.461 2.155 -0.447 1.00 0.00 C ATOM 978 CG ASN A 60 15.805 2.206 0.254 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.304 3.281 0.586 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.398 1.040 0.481 1.00 0.00 N ATOM 0 H ASN A 60 12.718 3.855 0.271 1.00 0.00 H new ATOM 0 HA ASN A 60 15.083 3.956 -1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.678 1.967 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.450 1.318 -1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.304 1.011 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.947 0.173 0.188 1.00 0.00 H new ATOM 987 N HIS A 61 12.713 4.121 -3.040 1.00 0.00 N ATOM 988 CA HIS A 61 11.972 3.952 -4.279 1.00 0.00 C ATOM 989 C HIS A 61 11.492 5.298 -4.811 1.00 0.00 C ATOM 990 O HIS A 61 11.784 5.668 -5.949 1.00 0.00 O ATOM 991 CB HIS A 61 10.778 3.022 -4.060 1.00 0.00 C ATOM 992 CG HIS A 61 10.328 2.326 -5.308 1.00 0.00 C ATOM 993 ND1 HIS A 61 11.028 2.380 -6.495 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.239 1.558 -5.551 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.390 1.676 -7.413 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.302 1.167 -6.866 1.00 0.00 N ATOM 0 H HIS A 61 12.637 5.051 -2.629 1.00 0.00 H new ATOM 0 HA HIS A 61 12.640 3.506 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.042 2.275 -3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.947 3.599 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.465 1.301 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.705 1.540 -8.437 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.619 0.579 -7.343 1.00 0.00 H new ATOM 1005 N ALA A 62 10.753 6.029 -3.979 1.00 0.00 N ATOM 1006 CA ALA A 62 10.233 7.336 -4.365 1.00 0.00 C ATOM 1007 C ALA A 62 9.452 7.981 -3.222 1.00 0.00 C ATOM 1008 O ALA A 62 8.263 7.718 -3.044 1.00 0.00 O ATOM 1009 CB ALA A 62 9.352 7.213 -5.601 1.00 0.00 C ATOM 0 H ALA A 62 10.502 5.738 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 62 11.082 7.978 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.972 8.197 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.937 6.806 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.516 6.548 -5.387 1.00 0.00 H new ATOM 1015 N LYS A 63 10.128 8.832 -2.454 1.00 0.00 N ATOM 1016 CA LYS A 63 9.496 9.523 -1.332 1.00 0.00 C ATOM 1017 C LYS A 63 8.734 10.753 -1.820 1.00 0.00 C ATOM 1018 O LYS A 63 8.983 11.872 -1.371 1.00 0.00 O ATOM 1019 CB LYS A 63 10.549 9.934 -0.301 1.00 0.00 C ATOM 1020 CG LYS A 63 11.648 10.816 -0.871 1.00 0.00 C ATOM 1021 CD LYS A 63 12.541 11.372 0.226 1.00 0.00 C ATOM 1022 CE LYS A 63 13.642 12.251 -0.344 1.00 0.00 C ATOM 1023 NZ LYS A 63 14.707 12.530 0.659 1.00 0.00 N ATOM 0 H LYS A 63 11.113 9.060 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 63 8.789 8.839 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.058 10.462 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.999 9.037 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.250 10.241 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.202 11.638 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.940 11.950 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.984 10.550 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.082 11.763 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.213 13.192 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.107 13.474 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.301 12.496 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.458 11.815 0.576 1.00 0.00 H new ATOM 1037 N ALA A 64 7.805 10.535 -2.745 1.00 0.00 N ATOM 1038 CA ALA A 64 7.006 11.619 -3.301 1.00 0.00 C ATOM 1039 C ALA A 64 7.883 12.633 -4.025 1.00 0.00 C ATOM 1040 O ALA A 64 7.616 13.834 -3.994 1.00 0.00 O ATOM 1041 CB ALA A 64 6.190 12.294 -2.207 1.00 0.00 C ATOM 0 H ALA A 64 7.587 9.614 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 64 6.319 11.193 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.599 13.101 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.525 11.564 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.861 12.701 -1.451 1.00 0.00 H new ATOM 1047 N ILE A 65 8.926 12.132 -4.683 1.00 0.00 N ATOM 1048 CA ILE A 65 9.854 12.979 -5.430 1.00 0.00 C ATOM 1049 C ILE A 65 10.148 14.281 -4.685 1.00 0.00 C ATOM 1050 O ILE A 65 9.636 15.343 -5.037 1.00 0.00 O ATOM 1051 CB ILE A 65 9.309 13.297 -6.841 1.00 0.00 C ATOM 1052 CG1 ILE A 65 10.233 14.272 -7.579 1.00 0.00 C ATOM 1053 CG2 ILE A 65 7.893 13.850 -6.759 1.00 0.00 C ATOM 1054 CD1 ILE A 65 10.821 13.697 -8.848 1.00 0.00 C ATOM 0 H ILE A 65 9.151 11.138 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 65 10.784 12.420 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 65 9.279 12.367 -7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.675 15.176 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.044 14.568 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.528 14.067 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.242 13.114 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.894 14.765 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.465 14.439 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.406 12.809 -8.608 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.016 13.427 -9.532 1.00 0.00 H new ATOM 1066 N VAL A 66 10.980 14.188 -3.655 1.00 0.00 N ATOM 1067 CA VAL A 66 11.346 15.350 -2.863 1.00 0.00 C ATOM 1068 C VAL A 66 10.111 15.994 -2.234 1.00 0.00 C ATOM 1069 O VAL A 66 9.623 17.021 -2.707 1.00 0.00 O ATOM 1070 CB VAL A 66 12.088 16.385 -3.728 1.00 0.00 C ATOM 1071 CG1 VAL A 66 12.311 17.683 -2.962 1.00 0.00 C ATOM 1072 CG2 VAL A 66 13.411 15.816 -4.221 1.00 0.00 C ATOM 0 H VAL A 66 11.414 13.317 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 66 12.009 15.013 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 66 11.465 16.612 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.837 18.395 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.349 18.102 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.907 17.482 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.923 16.561 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.036 15.555 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.223 14.924 -4.819 1.00 0.00 H new ATOM 1082 N ALA A 67 9.613 15.382 -1.164 1.00 0.00 N ATOM 1083 CA ALA A 67 8.439 15.892 -0.465 1.00 0.00 C ATOM 1084 C ALA A 67 8.793 16.298 0.962 1.00 0.00 C ATOM 1085 O ALA A 67 9.965 16.308 1.340 1.00 0.00 O ATOM 1086 CB ALA A 67 7.332 14.849 -0.462 1.00 0.00 C ATOM 0 H ALA A 67 10.005 14.531 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 67 8.083 16.777 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.462 15.243 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.057 14.607 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.682 13.948 0.042 1.00 0.00 H new ATOM 1092 N ARG A 68 7.778 16.632 1.752 1.00 0.00 N ATOM 1093 CA ARG A 68 7.997 17.035 3.136 1.00 0.00 C ATOM 1094 C ARG A 68 8.320 15.827 4.004 1.00 0.00 C ATOM 1095 O ARG A 68 9.429 15.691 4.520 1.00 0.00 O ATOM 1096 CB ARG A 68 6.757 17.753 3.677 1.00 0.00 C ATOM 1097 CG ARG A 68 7.074 19.001 4.484 1.00 0.00 C ATOM 1098 CD ARG A 68 5.856 19.487 5.255 1.00 0.00 C ATOM 1099 NE ARG A 68 4.686 19.640 4.393 1.00 0.00 N ATOM 1100 CZ ARG A 68 4.419 20.738 3.688 1.00 0.00 C ATOM 1101 NH1 ARG A 68 5.240 21.780 3.728 1.00 0.00 N ATOM 1102 NH2 ARG A 68 3.328 20.792 2.935 1.00 0.00 N ATOM 0 H ARG A 68 6.801 16.632 1.460 1.00 0.00 H new ATOM 0 HA ARG A 68 8.846 17.718 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.113 18.026 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.192 17.061 4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.886 18.790 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.422 19.789 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.628 18.781 6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.084 20.442 5.729 1.00 0.00 H new ATOM 0 HE ARG A 68 4.034 18.858 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.083 21.744 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.028 22.617 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.695 19.993 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.122 21.632 2.395 1.00 0.00 H new ATOM 1116 N ASN A 69 7.340 14.954 4.146 1.00 0.00 N ATOM 1117 CA ASN A 69 7.492 13.738 4.937 1.00 0.00 C ATOM 1118 C ASN A 69 6.424 12.717 4.561 1.00 0.00 C ATOM 1119 O ASN A 69 5.582 12.978 3.702 1.00 0.00 O ATOM 1120 CB ASN A 69 7.406 14.060 6.431 1.00 0.00 C ATOM 1121 CG ASN A 69 6.190 14.899 6.771 1.00 0.00 C ATOM 1122 OD1 ASN A 69 5.067 14.567 6.393 1.00 0.00 O ATOM 1123 ND2 ASN A 69 6.409 15.994 7.490 1.00 0.00 N ATOM 0 H ASN A 69 6.419 15.063 3.720 1.00 0.00 H new ATOM 0 HA ASN A 69 8.472 13.312 4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.373 13.130 6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.308 14.590 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.629 16.598 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.357 16.231 7.782 1.00 0.00 H new ATOM 1130 N VAL A 70 6.446 11.562 5.221 1.00 0.00 N ATOM 1131 CA VAL A 70 5.455 10.523 4.957 1.00 0.00 C ATOM 1132 C VAL A 70 4.247 10.696 5.866 1.00 0.00 C ATOM 1133 O VAL A 70 3.129 10.330 5.507 1.00 0.00 O ATOM 1134 CB VAL A 70 6.015 9.090 5.131 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.470 8.526 3.796 1.00 0.00 C ATOM 1136 CG2 VAL A 70 7.151 9.053 6.141 1.00 0.00 C ATOM 0 H VAL A 70 7.133 11.323 5.936 1.00 0.00 H new ATOM 0 HA VAL A 70 5.166 10.640 3.913 1.00 0.00 H new ATOM 0 HB VAL A 70 5.208 8.466 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.860 7.518 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.625 8.493 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.252 9.161 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.519 8.032 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.960 9.700 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.789 9.401 7.109 1.00 0.00 H new ATOM 1146 N ASP A 71 4.484 11.264 7.044 1.00 0.00 N ATOM 1147 CA ASP A 71 3.419 11.499 8.015 1.00 0.00 C ATOM 1148 C ASP A 71 2.259 12.239 7.375 1.00 0.00 C ATOM 1149 O ASP A 71 1.183 11.678 7.172 1.00 0.00 O ATOM 1150 CB ASP A 71 3.953 12.289 9.212 1.00 0.00 C ATOM 1151 CG ASP A 71 3.286 11.888 10.513 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.040 11.951 10.586 1.00 0.00 O ATOM 1153 OD2 ASP A 71 4.008 11.511 11.459 1.00 0.00 O ATOM 0 H ASP A 71 5.407 11.571 7.351 1.00 0.00 H new ATOM 0 HA ASP A 71 3.059 10.531 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.029 12.134 9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.797 13.354 9.040 1.00 0.00 H new ATOM 1158 N VAL A 72 2.494 13.497 7.043 1.00 0.00 N ATOM 1159 CA VAL A 72 1.473 14.316 6.402 1.00 0.00 C ATOM 1160 C VAL A 72 0.947 13.619 5.159 1.00 0.00 C ATOM 1161 O VAL A 72 -0.199 13.816 4.755 1.00 0.00 O ATOM 1162 CB VAL A 72 2.015 15.706 6.015 1.00 0.00 C ATOM 1163 CG1 VAL A 72 0.889 16.596 5.507 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.727 16.351 7.196 1.00 0.00 C ATOM 0 H VAL A 72 3.380 13.975 7.205 1.00 0.00 H new ATOM 0 HA VAL A 72 0.666 14.452 7.122 1.00 0.00 H new ATOM 0 HB VAL A 72 2.739 15.582 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.290 17.573 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.431 16.138 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.138 16.714 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.103 17.331 6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.028 16.463 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.561 15.721 7.506 1.00 0.00 H new ATOM 1174 N HIS A 73 1.791 12.781 4.572 1.00 0.00 N ATOM 1175 CA HIS A 73 1.415 12.027 3.391 1.00 0.00 C ATOM 1176 C HIS A 73 0.330 11.023 3.743 1.00 0.00 C ATOM 1177 O HIS A 73 -0.515 10.690 2.915 1.00 0.00 O ATOM 1178 CB HIS A 73 2.631 11.309 2.802 1.00 0.00 C ATOM 1179 CG HIS A 73 2.815 11.546 1.336 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.746 12.798 0.762 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.067 10.683 0.323 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.947 12.695 -0.540 1.00 0.00 C ATOM 1183 NE2 HIS A 73 3.144 11.422 -0.831 1.00 0.00 N ATOM 0 H HIS A 73 2.742 12.608 4.898 1.00 0.00 H new ATOM 0 HA HIS A 73 1.030 12.719 2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.527 11.637 3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.531 10.238 2.979 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.568 13.668 1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.185 9.613 0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.950 13.512 -1.246 1.00 0.00 H new ATOM 1192 N ILE A 74 0.357 10.554 4.987 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.630 9.592 5.461 1.00 0.00 C ATOM 1194 C ILE A 74 -2.035 10.163 5.341 1.00 0.00 C ATOM 1195 O ILE A 74 -2.994 9.440 5.073 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.385 9.192 6.933 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.051 8.705 7.130 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.376 8.121 7.366 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.405 7.498 6.289 1.00 0.00 C ATOM 0 H ILE A 74 1.051 10.825 5.684 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.530 8.706 4.835 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.535 10.074 7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.737 9.518 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.201 8.461 8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.189 7.851 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.392 8.504 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.258 7.240 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.438 7.210 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.744 6.670 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.288 7.743 5.233 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.146 11.466 5.546 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.432 12.145 5.464 1.00 0.00 C ATOM 1213 C ALA A 75 -3.963 12.136 4.040 1.00 0.00 C ATOM 1214 O ALA A 75 -5.173 12.107 3.815 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.316 13.569 5.986 1.00 0.00 C ATOM 0 H ALA A 75 -1.360 12.076 5.771 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.142 11.605 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.286 14.062 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.991 13.550 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.587 14.117 5.389 1.00 0.00 H new ATOM 1221 N SER A 76 -3.049 12.148 3.083 1.00 0.00 N ATOM 1222 CA SER A 76 -3.422 12.128 1.676 1.00 0.00 C ATOM 1223 C SER A 76 -3.973 10.761 1.290 1.00 0.00 C ATOM 1224 O SER A 76 -4.702 10.630 0.308 1.00 0.00 O ATOM 1225 CB SER A 76 -2.220 12.481 0.798 1.00 0.00 C ATOM 1226 OG SER A 76 -2.140 13.879 0.581 1.00 0.00 O ATOM 0 H SER A 76 -2.044 12.171 3.254 1.00 0.00 H new ATOM 0 HA SER A 76 -4.200 12.875 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.304 12.130 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.301 11.965 -0.159 1.00 0.00 H new ATOM 0 HG SER A 76 -1.363 14.079 0.019 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.630 9.746 2.076 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.101 8.396 1.817 1.00 0.00 C ATOM 1234 C LEU A 77 -5.587 8.290 2.112 1.00 0.00 C ATOM 1235 O LEU A 77 -6.316 7.557 1.448 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.321 7.382 2.658 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.991 6.929 2.053 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.234 5.981 0.892 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.176 8.128 1.598 1.00 0.00 C ATOM 0 H LEU A 77 -3.029 9.835 2.895 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.935 8.171 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.128 7.818 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.948 6.505 2.817 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.425 6.400 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.278 5.668 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.780 5.106 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.819 6.488 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.233 7.786 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.735 8.684 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.974 8.775 2.451 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.030 9.040 3.108 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.434 9.043 3.489 1.00 0.00 C ATOM 1253 C ARG A 78 -8.304 9.522 2.334 1.00 0.00 C ATOM 1254 O ARG A 78 -9.473 9.153 2.225 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.653 9.933 4.714 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.903 9.582 5.504 1.00 0.00 C ATOM 1257 CD ARG A 78 -8.848 10.148 6.914 1.00 0.00 C ATOM 1258 NE ARG A 78 -10.002 9.741 7.711 1.00 0.00 N ATOM 1259 CZ ARG A 78 -10.074 9.874 9.034 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -9.060 10.399 9.710 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -11.161 9.479 9.681 1.00 0.00 N ATOM 0 H ARG A 78 -5.438 9.654 3.667 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.721 8.022 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.785 9.855 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.717 10.972 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.781 9.971 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.014 8.499 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.933 9.814 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.805 11.236 6.867 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.800 9.331 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.221 10.703 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.120 10.499 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.942 9.073 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.217 9.581 10.694 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.723 10.351 1.475 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.442 10.889 0.326 1.00 0.00 C ATOM 1277 C LYS A 79 -8.288 10.000 -0.901 1.00 0.00 C ATOM 1278 O LYS A 79 -9.261 9.690 -1.588 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.954 12.306 0.012 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.071 13.337 -0.044 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.689 14.618 0.683 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.844 15.155 1.513 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.930 15.715 0.662 1.00 0.00 N ATOM 0 H LYS A 79 -6.756 10.666 1.552 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.500 10.921 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.230 12.608 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.431 12.297 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.305 13.564 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.974 12.920 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.832 14.429 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.380 15.371 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.246 14.355 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.477 15.928 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.697 16.070 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.553 16.496 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.299 14.971 0.036 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.056 9.613 -1.174 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.748 8.778 -2.325 1.00 0.00 C ATOM 1299 C LYS A 80 -7.135 7.325 -2.089 1.00 0.00 C ATOM 1300 O LYS A 80 -7.847 6.719 -2.889 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.261 8.880 -2.660 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.764 10.313 -2.772 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.406 11.040 -3.943 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.588 11.887 -3.497 1.00 0.00 C ATOM 1305 NZ LYS A 80 -7.439 12.297 -4.649 1.00 0.00 N ATOM 0 H LYS A 80 -6.244 9.865 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.336 9.142 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.687 8.363 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.072 8.363 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.983 10.847 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.681 10.314 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.665 11.675 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.738 10.314 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.189 11.325 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.225 12.775 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.234 12.873 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.871 12.855 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.806 11.450 -5.128 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.655 6.776 -0.989 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.939 5.388 -0.635 1.00 0.00 C ATOM 1321 C LEU A 81 -8.309 5.262 0.028 1.00 0.00 C ATOM 1322 O LEU A 81 -9.077 4.351 -0.281 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.844 4.837 0.287 1.00 0.00 C ATOM 1324 CG LEU A 81 -6.084 3.424 0.831 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.586 2.495 -0.263 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.810 2.869 1.454 1.00 0.00 C ATOM 0 H LEU A 81 -6.064 7.268 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.952 4.799 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.900 4.842 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.729 5.517 1.131 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.852 3.486 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.748 1.500 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.524 2.878 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.846 2.440 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.999 1.865 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.024 2.829 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.494 3.515 2.273 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.616 6.185 0.934 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.899 6.156 1.614 1.00 0.00 C ATOM 1340 C GLY A 82 -9.806 5.594 3.019 1.00 0.00 C ATOM 1341 O GLY A 82 -8.797 5.771 3.701 1.00 0.00 O ATOM 0 H GLY A 82 -8.001 6.951 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.305 7.167 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.600 5.556 1.033 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.865 4.914 3.452 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.905 4.323 4.785 1.00 0.00 C ATOM 1347 C ALA A 83 -9.735 3.372 5.011 1.00 0.00 C ATOM 1348 O ALA A 83 -9.358 3.095 6.149 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.224 3.596 4.999 1.00 0.00 C ATOM 0 H ALA A 83 -11.707 4.759 2.898 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.821 5.132 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.241 3.159 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.049 4.301 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.329 2.806 4.256 1.00 0.00 H new ATOM 1355 N TYR A 84 -9.164 2.880 3.921 1.00 0.00 N ATOM 1356 CA TYR A 84 -8.035 1.965 3.996 1.00 0.00 C ATOM 1357 C TYR A 84 -6.745 2.730 4.263 1.00 0.00 C ATOM 1358 O TYR A 84 -5.821 2.210 4.888 1.00 0.00 O ATOM 1359 CB TYR A 84 -7.919 1.155 2.704 1.00 0.00 C ATOM 1360 CG TYR A 84 -9.079 0.211 2.480 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -10.335 0.694 2.133 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -8.919 -1.162 2.619 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -11.398 -0.165 1.931 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -9.978 -2.027 2.418 1.00 0.00 C ATOM 1365 CZ TYR A 84 -11.215 -1.524 2.074 1.00 0.00 C ATOM 1366 OH TYR A 84 -12.271 -2.383 1.874 1.00 0.00 O ATOM 0 H TYR A 84 -9.465 3.100 2.972 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.203 1.275 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.850 1.840 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.992 0.581 2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.482 1.758 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.952 -1.560 2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -12.368 0.226 1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.837 -3.092 2.530 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.977 -3.305 2.029 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.694 3.976 3.798 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.517 4.794 4.015 1.00 0.00 C ATOM 1378 C GLY A 85 -5.272 5.022 5.489 1.00 0.00 C ATOM 1379 O GLY A 85 -4.128 5.078 5.939 1.00 0.00 O ATOM 0 H GLY A 85 -7.444 4.430 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.648 4.310 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.640 5.753 3.512 1.00 0.00 H new ATOM 1383 N SER A 86 -6.361 5.135 6.242 1.00 0.00 N ATOM 1384 CA SER A 86 -6.278 5.337 7.680 1.00 0.00 C ATOM 1385 C SER A 86 -5.738 4.083 8.362 1.00 0.00 C ATOM 1386 O SER A 86 -5.339 4.123 9.526 1.00 0.00 O ATOM 1387 CB SER A 86 -7.653 5.693 8.249 1.00 0.00 C ATOM 1388 OG SER A 86 -8.686 5.345 7.343 1.00 0.00 O ATOM 0 H SER A 86 -7.312 5.090 5.877 1.00 0.00 H new ATOM 0 HA SER A 86 -5.594 6.164 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.804 5.173 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.696 6.761 8.462 1.00 0.00 H new ATOM 0 HG SER A 86 -8.703 4.372 7.225 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.721 2.968 7.626 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.221 1.704 8.159 1.00 0.00 C ATOM 1396 C ARG A 87 -3.893 1.910 8.881 1.00 0.00 C ATOM 1397 O ARG A 87 -3.571 1.196 9.830 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.047 0.687 7.029 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.508 -0.658 7.493 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.563 -1.266 6.468 1.00 0.00 C ATOM 1401 NE ARG A 87 -4.260 -1.658 5.244 1.00 0.00 N ATOM 1402 CZ ARG A 87 -4.309 -0.916 4.139 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -3.685 0.255 4.081 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -4.982 -1.350 3.082 1.00 0.00 N ATOM 0 H ARG A 87 -6.048 2.918 6.661 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.949 1.322 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.009 0.533 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.371 1.101 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.986 -0.534 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.338 -1.341 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.781 -0.547 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.072 -2.138 6.900 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.740 -2.558 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.161 0.594 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.729 0.815 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.461 -2.250 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.021 -0.784 2.235 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.131 2.898 8.424 1.00 0.00 N ATOM 1419 CA ILE A 88 -1.840 3.206 9.025 1.00 0.00 C ATOM 1420 C ILE A 88 -2.008 3.660 10.472 1.00 0.00 C ATOM 1421 O ILE A 88 -2.112 4.855 10.751 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.100 4.303 8.232 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.028 3.931 6.749 1.00 0.00 C ATOM 1424 CG2 ILE A 88 0.297 4.517 8.795 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -0.961 5.128 5.826 1.00 0.00 C ATOM 0 H ILE A 88 -3.386 3.498 7.640 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.247 2.291 9.000 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.657 5.235 8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.151 3.305 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.901 3.332 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.804 5.294 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.226 4.822 9.839 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.863 3.588 8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.912 4.788 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.850 5.744 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.073 5.716 6.057 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.035 2.698 11.391 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.192 2.999 12.810 1.00 0.00 C ATOM 1439 C VAL A 89 -0.860 3.395 13.435 1.00 0.00 C ATOM 1440 O VAL A 89 0.202 3.109 12.885 1.00 0.00 O ATOM 1441 CB VAL A 89 -2.770 1.793 13.578 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.136 2.186 15.001 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -3.977 1.220 12.848 1.00 0.00 C ATOM 0 H VAL A 89 -1.950 1.704 11.178 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.888 3.834 12.884 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.003 1.020 13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.542 1.320 15.525 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.246 2.540 15.521 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.883 2.979 14.979 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.370 0.370 13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.748 1.986 12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.678 0.893 11.852 1.00 0.00 H new ATOM 1453 N THR A 90 -0.923 4.055 14.586 1.00 0.00 N ATOM 1454 CA THR A 90 0.280 4.489 15.286 1.00 0.00 C ATOM 1455 C THR A 90 0.077 4.432 16.796 1.00 0.00 C ATOM 1456 O THR A 90 -0.393 5.391 17.408 1.00 0.00 O ATOM 1457 CB THR A 90 0.660 5.908 14.858 1.00 0.00 C ATOM 1458 OG1 THR A 90 1.847 6.327 15.508 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.414 6.931 15.155 1.00 0.00 C ATOM 0 H THR A 90 -1.795 4.301 15.054 1.00 0.00 H new ATOM 0 HA THR A 90 1.092 3.811 15.022 1.00 0.00 H new ATOM 0 HB THR A 90 0.799 5.856 13.778 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.624 6.055 14.977 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.080 7.915 14.826 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.328 6.663 14.626 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.609 6.953 16.227 1.00 0.00 H new ATOM 1467 N LEU A 91 0.431 3.298 17.391 1.00 0.00 N ATOM 1468 CA LEU A 91 0.285 3.112 18.831 1.00 0.00 C ATOM 1469 C LEU A 91 1.451 3.745 19.586 1.00 0.00 C ATOM 1470 O LEU A 91 2.609 3.601 19.192 1.00 0.00 O ATOM 1471 CB LEU A 91 0.191 1.621 19.162 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.229 1.096 19.391 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.746 0.389 18.146 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.268 0.160 20.591 1.00 0.00 C ATOM 0 H LEU A 91 0.821 2.494 16.899 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.633 3.607 19.147 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.645 1.055 18.349 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.783 1.425 20.056 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.878 1.947 19.598 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.756 0.023 18.329 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.759 1.088 17.310 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.094 -0.451 17.907 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.286 -0.202 20.737 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.604 -0.686 20.414 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.943 0.697 21.482 1.00 0.00 H new ATOM 1486 N ARG A 92 1.138 4.444 20.673 1.00 0.00 N ATOM 1487 CA ARG A 92 2.161 5.096 21.484 1.00 0.00 C ATOM 1488 C ARG A 92 2.802 4.102 22.447 1.00 0.00 C ATOM 1489 O ARG A 92 2.504 4.096 23.642 1.00 0.00 O ATOM 1490 CB ARG A 92 1.559 6.269 22.261 1.00 0.00 C ATOM 1491 CG ARG A 92 1.882 7.627 21.659 1.00 0.00 C ATOM 1492 CD ARG A 92 3.309 8.051 21.972 1.00 0.00 C ATOM 1493 NE ARG A 92 3.602 9.397 21.478 1.00 0.00 N ATOM 1494 CZ ARG A 92 4.436 9.663 20.473 1.00 0.00 C ATOM 1495 NH1 ARG A 92 5.064 8.682 19.833 1.00 0.00 N ATOM 1496 NH2 ARG A 92 4.641 10.920 20.102 1.00 0.00 N ATOM 0 H ARG A 92 0.185 4.573 21.012 1.00 0.00 H new ATOM 0 HA ARG A 92 2.933 5.476 20.816 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.477 6.148 22.304 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.924 6.240 23.288 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.741 7.590 20.579 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.187 8.372 22.046 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.469 8.018 23.050 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.005 7.341 21.524 1.00 0.00 H new ATOM 0 HE ARG A 92 3.138 10.183 21.933 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.910 7.712 20.109 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.700 8.899 19.065 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.161 11.679 20.585 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.279 11.127 19.333 1.00 0.00 H new ATOM 1510 N GLY A 93 3.682 3.262 21.915 1.00 0.00 N ATOM 1511 CA GLY A 93 4.356 2.269 22.731 1.00 0.00 C ATOM 1512 C GLY A 93 4.954 1.160 21.895 1.00 0.00 C ATOM 1513 O GLY A 93 6.029 0.646 22.205 1.00 0.00 O ATOM 0 H GLY A 93 3.942 3.251 20.929 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.143 2.750 23.311 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.649 1.845 23.444 1.00 0.00 H new ATOM 1517 N VAL A 94 4.258 0.799 20.824 1.00 0.00 N ATOM 1518 CA VAL A 94 4.725 -0.248 19.926 1.00 0.00 C ATOM 1519 C VAL A 94 5.170 0.346 18.595 1.00 0.00 C ATOM 1520 O VAL A 94 6.212 -0.027 18.055 1.00 0.00 O ATOM 1521 CB VAL A 94 3.635 -1.309 19.672 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.402 -0.681 19.042 1.00 0.00 C ATOM 1523 CG2 VAL A 94 4.177 -2.426 18.795 1.00 0.00 C ATOM 0 H VAL A 94 3.367 1.217 20.556 1.00 0.00 H new ATOM 0 HA VAL A 94 5.572 -0.733 20.411 1.00 0.00 H new ATOM 0 HB VAL A 94 3.342 -1.734 20.632 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.648 -1.450 18.873 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.000 0.081 19.710 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.673 -0.223 18.091 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.396 -3.167 18.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.500 -2.014 17.839 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.024 -2.900 19.291 1.00 0.00 H new ATOM 1533 N GLY A 95 4.377 1.276 18.073 1.00 0.00 N ATOM 1534 CA GLY A 95 4.712 1.910 16.814 1.00 0.00 C ATOM 1535 C GLY A 95 3.587 1.837 15.800 1.00 0.00 C ATOM 1536 O GLY A 95 2.418 1.705 16.162 1.00 0.00 O ATOM 0 H GLY A 95 3.509 1.601 18.500 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.964 2.955 16.995 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.601 1.435 16.398 1.00 0.00 H new ATOM 1540 N TYR A 96 3.948 1.931 14.527 1.00 0.00 N ATOM 1541 CA TYR A 96 2.976 1.885 13.442 1.00 0.00 C ATOM 1542 C TYR A 96 2.456 0.467 13.223 1.00 0.00 C ATOM 1543 O TYR A 96 3.234 -0.473 13.060 1.00 0.00 O ATOM 1544 CB TYR A 96 3.608 2.414 12.152 1.00 0.00 C ATOM 1545 CG TYR A 96 3.279 3.861 11.863 1.00 0.00 C ATOM 1546 CD1 TYR A 96 3.337 4.818 12.868 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.918 4.272 10.586 1.00 0.00 C ATOM 1548 CE1 TYR A 96 3.043 6.143 12.611 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.622 5.596 10.320 1.00 0.00 C ATOM 1550 CZ TYR A 96 2.687 6.527 11.336 1.00 0.00 C ATOM 1551 OH TYR A 96 2.394 7.846 11.075 1.00 0.00 O ATOM 0 H TYR A 96 4.914 2.040 14.219 1.00 0.00 H new ATOM 0 HA TYR A 96 2.131 2.516 13.718 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.690 2.302 12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.273 1.800 11.316 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.617 4.521 13.868 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.868 3.546 9.788 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.092 6.874 13.405 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.341 5.900 9.322 1.00 0.00 H new ATOM 0 HH TYR A 96 2.163 7.949 10.128 1.00 0.00 H new ATOM 1561 N LEU A 97 1.135 0.325 13.212 1.00 0.00 N ATOM 1562 CA LEU A 97 0.505 -0.973 13.004 1.00 0.00 C ATOM 1563 C LEU A 97 -0.585 -0.875 11.942 1.00 0.00 C ATOM 1564 O LEU A 97 -1.753 -0.648 12.253 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.082 -1.497 14.320 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.686 -2.905 14.261 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.126 -2.847 13.777 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.142 -3.817 13.366 1.00 0.00 C ATOM 0 H LEU A 97 0.479 1.095 13.345 1.00 0.00 H new ATOM 0 HA LEU A 97 1.265 -1.673 12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.703 -1.489 15.076 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.854 -0.804 14.655 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.675 -3.320 15.269 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.539 -3.855 13.741 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.716 -2.238 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.157 -2.407 12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.308 -4.809 13.342 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.171 -3.407 12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.156 -3.888 13.758 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.191 -1.041 10.685 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.132 -0.964 9.573 1.00 0.00 C ATOM 1582 C PHE A 98 -2.028 -2.198 9.525 1.00 0.00 C ATOM 1583 O PHE A 98 -1.742 -3.161 8.816 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.388 -0.793 8.242 1.00 0.00 C ATOM 1585 CG PHE A 98 0.620 -1.872 7.954 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.884 -1.832 8.521 1.00 0.00 C ATOM 1587 CD2 PHE A 98 0.304 -2.925 7.110 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.810 -2.820 8.255 1.00 0.00 C ATOM 1589 CE2 PHE A 98 1.228 -3.917 6.841 1.00 0.00 C ATOM 1590 CZ PHE A 98 2.482 -3.864 7.415 1.00 0.00 C ATOM 0 H PHE A 98 0.773 -1.230 10.410 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.764 -0.090 9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.117 -0.767 7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.120 0.171 8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.148 -1.017 9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.675 -2.971 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.791 -2.776 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.969 -4.733 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.205 -4.639 7.207 1.00 0.00 H new ATOM 1600 N SER A 99 -3.120 -2.158 10.282 1.00 0.00 N ATOM 1601 CA SER A 99 -4.065 -3.270 10.323 1.00 0.00 C ATOM 1602 C SER A 99 -5.435 -2.832 9.818 1.00 0.00 C ATOM 1603 O SER A 99 -5.968 -1.808 10.246 1.00 0.00 O ATOM 1604 CB SER A 99 -4.185 -3.820 11.745 1.00 0.00 C ATOM 1605 OG SER A 99 -5.191 -4.815 11.824 1.00 0.00 O ATOM 0 H SER A 99 -3.373 -1.368 10.875 1.00 0.00 H new ATOM 0 HA SER A 99 -3.688 -4.058 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.229 -4.240 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.417 -3.008 12.434 1.00 0.00 H new ATOM 0 HG SER A 99 -5.247 -5.152 12.743 1.00 0.00 H new ATOM 1611 N ASP A 100 -6.000 -3.612 8.903 1.00 0.00 N ATOM 1612 CA ASP A 100 -7.309 -3.302 8.337 1.00 0.00 C ATOM 1613 C ASP A 100 -8.254 -4.488 8.463 1.00 0.00 C ATOM 1614 O ASP A 100 -9.176 -4.483 9.279 1.00 0.00 O ATOM 1615 CB ASP A 100 -7.168 -2.895 6.868 1.00 0.00 C ATOM 1616 CG ASP A 100 -7.807 -1.550 6.577 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -8.682 -1.127 7.361 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -7.433 -0.922 5.564 1.00 0.00 O ATOM 0 H ASP A 100 -5.573 -4.463 8.537 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.731 -2.469 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.111 -2.857 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.627 -3.656 6.237 1.00 0.00 H new ATOM 1623 N ASP A 101 -8.012 -5.498 7.648 1.00 0.00 N ATOM 1624 CA ASP A 101 -8.828 -6.702 7.649 1.00 0.00 C ATOM 1625 C ASP A 101 -8.079 -7.866 7.008 1.00 0.00 C ATOM 1626 O ASP A 101 -8.011 -8.959 7.571 1.00 0.00 O ATOM 1627 CB ASP A 101 -10.145 -6.453 6.911 1.00 0.00 C ATOM 1628 CG ASP A 101 -11.337 -7.049 7.635 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -11.464 -6.821 8.857 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -12.144 -7.741 6.981 1.00 0.00 O ATOM 0 H ASP A 101 -7.250 -5.509 6.970 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.047 -6.963 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.295 -5.380 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.083 -6.878 5.909 1.00 0.00 H new ATOM 1635 N GLY A 102 -7.518 -7.624 5.827 1.00 0.00 N ATOM 1636 CA GLY A 102 -6.780 -8.662 5.130 1.00 0.00 C ATOM 1637 C GLY A 102 -7.157 -8.759 3.665 1.00 0.00 C ATOM 1638 O GLY A 102 -7.905 -9.651 3.267 1.00 0.00 O ATOM 0 H GLY A 102 -7.561 -6.728 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.712 -8.463 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.964 -9.621 5.613 1.00 0.00 H new ATOM 1642 N ASP A 103 -6.636 -7.839 2.859 1.00 0.00 N ATOM 1643 CA ASP A 103 -6.921 -7.826 1.429 1.00 0.00 C ATOM 1644 C ASP A 103 -6.475 -9.131 0.775 1.00 0.00 C ATOM 1645 O ASP A 103 -5.955 -10.025 1.443 1.00 0.00 O ATOM 1646 CB ASP A 103 -6.229 -6.637 0.758 1.00 0.00 C ATOM 1647 CG ASP A 103 -7.208 -5.728 0.040 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -8.282 -6.218 -0.369 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -6.900 -4.528 -0.114 1.00 0.00 O ATOM 0 H ASP A 103 -6.015 -7.093 3.172 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.999 -7.726 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.689 -6.062 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.490 -7.005 0.046 1.00 0.00 H new ATOM 1654 N LYS A 104 -6.684 -9.236 -0.533 1.00 0.00 N ATOM 1655 CA LYS A 104 -6.307 -10.434 -1.273 1.00 0.00 C ATOM 1656 C LYS A 104 -4.795 -10.644 -1.250 1.00 0.00 C ATOM 1657 O LYS A 104 -4.074 -9.966 -0.518 1.00 0.00 O ATOM 1658 CB LYS A 104 -6.802 -10.346 -2.718 1.00 0.00 C ATOM 1659 CG LYS A 104 -7.461 -11.624 -3.212 1.00 0.00 C ATOM 1660 CD LYS A 104 -8.716 -11.331 -4.020 1.00 0.00 C ATOM 1661 CE LYS A 104 -9.831 -12.312 -3.694 1.00 0.00 C ATOM 1662 NZ LYS A 104 -10.458 -12.021 -2.374 1.00 0.00 N ATOM 0 H LYS A 104 -7.112 -8.506 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.777 -11.289 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.513 -9.524 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.961 -10.106 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.755 -12.184 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.715 -12.256 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.053 -10.315 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.485 -11.382 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.591 -12.270 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.433 -13.327 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.213 -12.712 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.738 -12.086 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.861 -11.062 -2.385 1.00 0.00 H new ATOM 1676 N LYS A 105 -4.325 -11.588 -2.059 1.00 0.00 N ATOM 1677 CA LYS A 105 -2.908 -11.894 -2.143 1.00 0.00 C ATOM 1678 C LYS A 105 -2.549 -12.409 -3.534 1.00 0.00 C ATOM 1679 O LYS A 105 -3.429 -12.654 -4.359 1.00 0.00 O ATOM 1680 CB LYS A 105 -2.520 -12.927 -1.082 1.00 0.00 C ATOM 1681 CG LYS A 105 -2.104 -12.309 0.243 1.00 0.00 C ATOM 1682 CD LYS A 105 -2.118 -13.333 1.366 1.00 0.00 C ATOM 1683 CE LYS A 105 -2.479 -12.694 2.698 1.00 0.00 C ATOM 1684 NZ LYS A 105 -3.090 -13.675 3.638 1.00 0.00 N ATOM 0 H LYS A 105 -4.913 -12.156 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.350 -10.976 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.363 -13.596 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -1.701 -13.537 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.105 -11.884 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.777 -11.488 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.835 -14.120 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.139 -13.805 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.584 -12.267 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.174 -11.871 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.321 -13.200 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.958 -14.064 3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.417 -14.447 3.820 1.00 0.00 H new ATOM 1698 N PHE A 106 -1.255 -12.575 -3.789 1.00 0.00 N ATOM 1699 CA PHE A 106 -0.792 -13.063 -5.081 1.00 0.00 C ATOM 1700 C PHE A 106 -1.172 -14.528 -5.278 1.00 0.00 C ATOM 1701 O PHE A 106 -1.272 -15.288 -4.315 1.00 0.00 O ATOM 1702 CB PHE A 106 0.724 -12.898 -5.204 1.00 0.00 C ATOM 1703 CG PHE A 106 1.265 -13.321 -6.540 1.00 0.00 C ATOM 1704 CD1 PHE A 106 0.727 -12.814 -7.712 1.00 0.00 C ATOM 1705 CD2 PHE A 106 2.311 -14.227 -6.624 1.00 0.00 C ATOM 1706 CE1 PHE A 106 1.222 -13.202 -8.943 1.00 0.00 C ATOM 1707 CE2 PHE A 106 2.810 -14.618 -7.851 1.00 0.00 C ATOM 1708 CZ PHE A 106 2.265 -14.105 -9.012 1.00 0.00 C ATOM 0 H PHE A 106 -0.511 -12.379 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.278 -12.471 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.983 -11.854 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.210 -13.482 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.088 -12.108 -7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.741 -14.632 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.794 -12.800 -9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.626 -15.324 -7.903 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.654 -14.410 -9.972 1.00 0.00 H new ATOM 1718 N SER A 107 -1.384 -14.916 -6.531 1.00 0.00 N ATOM 1719 CA SER A 107 -1.754 -16.290 -6.853 1.00 0.00 C ATOM 1720 C SER A 107 -0.689 -17.270 -6.372 1.00 0.00 C ATOM 1721 O SER A 107 0.508 -16.992 -6.454 1.00 0.00 O ATOM 1722 CB SER A 107 -1.963 -16.444 -8.361 1.00 0.00 C ATOM 1723 OG SER A 107 -2.194 -17.799 -8.708 1.00 0.00 O ATOM 0 H SER A 107 -1.306 -14.299 -7.340 1.00 0.00 H new ATOM 0 HA SER A 107 -2.688 -16.517 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.809 -15.835 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.087 -16.073 -8.893 1.00 0.00 H new ATOM 0 HG SER A 107 -2.326 -17.871 -9.676 1.00 0.00 H new ATOM 1729 N GLN A 108 -1.132 -18.417 -5.868 1.00 0.00 N ATOM 1730 CA GLN A 108 -0.220 -19.440 -5.371 1.00 0.00 C ATOM 1731 C GLN A 108 0.647 -19.995 -6.497 1.00 0.00 C ATOM 1732 O GLN A 108 1.862 -20.131 -6.349 1.00 0.00 O ATOM 1733 CB GLN A 108 -1.005 -20.575 -4.710 1.00 0.00 C ATOM 1734 CG GLN A 108 -0.234 -21.292 -3.614 1.00 0.00 C ATOM 1735 CD GLN A 108 -0.534 -22.778 -3.567 1.00 0.00 C ATOM 1736 OE1 GLN A 108 -1.692 -23.187 -3.482 1.00 0.00 O ATOM 1737 NE2 GLN A 108 0.511 -23.595 -3.621 1.00 0.00 N ATOM 0 H GLN A 108 -2.119 -18.662 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 108 0.433 -18.978 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.926 -20.171 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.293 -21.298 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.835 -21.146 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.479 -20.845 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.454 -23.213 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.371 -24.605 -3.592 1.00 0.00 H new ATOM 1746 N GLN A 109 0.014 -20.317 -7.620 1.00 0.00 N ATOM 1747 CA GLN A 109 0.725 -20.861 -8.771 1.00 0.00 C ATOM 1748 C GLN A 109 1.746 -19.862 -9.307 1.00 0.00 C ATOM 1749 O GLN A 109 1.385 -18.789 -9.791 1.00 0.00 O ATOM 1750 CB GLN A 109 -0.265 -21.236 -9.875 1.00 0.00 C ATOM 1751 CG GLN A 109 0.371 -21.996 -11.029 1.00 0.00 C ATOM 1752 CD GLN A 109 -0.190 -23.396 -11.186 1.00 0.00 C ATOM 1753 OE1 GLN A 109 0.079 -24.280 -10.374 1.00 0.00 O ATOM 1754 NE2 GLN A 109 -0.976 -23.604 -12.237 1.00 0.00 N ATOM 0 H GLN A 109 -0.991 -20.211 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 109 1.257 -21.755 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.062 -21.843 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.728 -20.328 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.216 -21.441 -11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.448 -22.056 -10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.173 -22.842 -12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.383 -24.526 -12.395 1.00 0.00 H new ATOM 1763 N ASP A 110 3.023 -20.222 -9.219 1.00 0.00 N ATOM 1764 CA ASP A 110 4.095 -19.354 -9.696 1.00 0.00 C ATOM 1765 C ASP A 110 5.125 -20.133 -10.510 1.00 0.00 C ATOM 1766 O ASP A 110 5.750 -19.589 -11.421 1.00 0.00 O ATOM 1767 CB ASP A 110 4.780 -18.658 -8.519 1.00 0.00 C ATOM 1768 CG ASP A 110 5.772 -17.604 -8.969 1.00 0.00 C ATOM 1769 OD1 ASP A 110 6.910 -17.974 -9.327 1.00 0.00 O ATOM 1770 OD2 ASP A 110 5.411 -16.408 -8.965 1.00 0.00 O ATOM 0 H ASP A 110 3.340 -21.107 -8.823 1.00 0.00 H new ATOM 0 HA ASP A 110 3.647 -18.603 -10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.024 -18.195 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 110 5.295 -19.401 -7.910 1.00 0.00 H new ATOM 1775 N THR A 111 5.298 -21.403 -10.175 1.00 0.00 N ATOM 1776 CA THR A 111 6.253 -22.257 -10.871 1.00 0.00 C ATOM 1777 C THR A 111 5.879 -22.415 -12.342 1.00 0.00 C ATOM 1778 O THR A 111 4.700 -22.433 -12.695 1.00 0.00 O ATOM 1779 CB THR A 111 6.324 -23.630 -10.202 1.00 0.00 C ATOM 1780 OG1 THR A 111 5.132 -24.360 -10.430 1.00 0.00 O ATOM 1781 CG2 THR A 111 6.538 -23.558 -8.705 1.00 0.00 C ATOM 0 H THR A 111 4.788 -21.867 -9.423 1.00 0.00 H new ATOM 0 HA THR A 111 7.232 -21.780 -10.815 1.00 0.00 H new ATOM 0 HB THR A 111 7.184 -24.126 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.197 -25.236 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.579 -24.567 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.476 -23.043 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.714 -23.012 -8.245 1.00 0.00 H new ATOM 1789 N LYS A 112 6.893 -22.535 -13.194 1.00 0.00 N ATOM 1790 CA LYS A 112 6.679 -22.698 -14.624 1.00 0.00 C ATOM 1791 C LYS A 112 7.915 -23.288 -15.296 1.00 0.00 C ATOM 1792 O LYS A 112 9.000 -22.708 -15.243 1.00 0.00 O ATOM 1793 CB LYS A 112 6.320 -21.357 -15.267 1.00 0.00 C ATOM 1794 CG LYS A 112 7.347 -20.264 -15.013 1.00 0.00 C ATOM 1795 CD LYS A 112 7.711 -19.528 -16.293 1.00 0.00 C ATOM 1796 CE LYS A 112 9.199 -19.222 -16.355 1.00 0.00 C ATOM 1797 NZ LYS A 112 9.598 -18.193 -15.355 1.00 0.00 N ATOM 0 H LYS A 112 7.874 -22.522 -12.915 1.00 0.00 H new ATOM 0 HA LYS A 112 5.848 -23.390 -14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.210 -21.497 -16.342 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.352 -21.029 -14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.952 -19.555 -14.285 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.245 -20.702 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.426 -20.132 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.144 -18.599 -16.354 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.765 -20.137 -16.180 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.457 -18.875 -17.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.620 -18.013 -15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.077 -17.311 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.376 -18.535 -14.398 1.00 0.00 H new ATOM 1811 N LEU A 113 7.744 -24.446 -15.927 1.00 0.00 N ATOM 1812 CA LEU A 113 8.840 -25.115 -16.607 1.00 0.00 C ATOM 1813 C LEU A 113 8.331 -25.931 -17.792 1.00 0.00 C ATOM 1814 O LEU A 113 7.519 -26.841 -17.628 1.00 0.00 O ATOM 1815 CB LEU A 113 9.599 -26.021 -15.634 1.00 0.00 C ATOM 1816 CG LEU A 113 10.836 -25.386 -14.989 1.00 0.00 C ATOM 1817 CD1 LEU A 113 10.742 -25.446 -13.471 1.00 0.00 C ATOM 1818 CD2 LEU A 113 12.104 -26.076 -15.474 1.00 0.00 C ATOM 0 H LEU A 113 6.853 -24.939 -15.980 1.00 0.00 H new ATOM 0 HA LEU A 113 9.520 -24.350 -16.983 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.916 -26.334 -14.844 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.907 -26.922 -16.165 1.00 0.00 H new ATOM 0 HG LEU A 113 10.878 -24.338 -15.287 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.630 -24.990 -13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.855 -24.905 -13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.673 -26.486 -13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.972 -25.612 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.068 -27.132 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.180 -25.978 -16.557 1.00 0.00 H new ATOM 1830 N SER A 114 8.815 -25.598 -18.985 1.00 0.00 N ATOM 1831 CA SER A 114 8.410 -26.301 -20.197 1.00 0.00 C ATOM 1832 C SER A 114 8.791 -27.776 -20.122 1.00 0.00 C ATOM 1833 O SER A 114 9.933 -28.117 -19.814 1.00 0.00 O ATOM 1834 CB SER A 114 9.053 -25.655 -21.427 1.00 0.00 C ATOM 1835 OG SER A 114 9.615 -24.393 -21.109 1.00 0.00 O ATOM 0 H SER A 114 9.487 -24.846 -19.138 1.00 0.00 H new ATOM 0 HA SER A 114 7.326 -26.229 -20.285 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.828 -26.312 -21.823 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.305 -25.536 -22.211 1.00 0.00 H new ATOM 0 HG SER A 114 10.020 -24.004 -21.912 1.00 0.00 H new ATOM 1841 N LEU A 115 7.828 -28.647 -20.405 1.00 0.00 N ATOM 1842 CA LEU A 115 8.061 -30.082 -20.370 1.00 0.00 C ATOM 1843 C LEU A 115 9.139 -30.484 -21.372 1.00 0.00 C ATOM 1844 O LEU A 115 10.175 -31.032 -20.998 1.00 0.00 O ATOM 1845 CB LEU A 115 6.758 -30.824 -20.670 1.00 0.00 C ATOM 1846 CG LEU A 115 5.950 -31.260 -19.443 1.00 0.00 C ATOM 1847 CD1 LEU A 115 6.073 -30.241 -18.317 1.00 0.00 C ATOM 1848 CD2 LEU A 115 4.492 -31.457 -19.821 1.00 0.00 C ATOM 0 H LEU A 115 6.877 -28.381 -20.661 1.00 0.00 H new ATOM 0 HA LEU A 115 8.409 -30.353 -19.373 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.129 -30.183 -21.288 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.992 -31.709 -21.262 1.00 0.00 H new ATOM 0 HG LEU A 115 6.355 -32.207 -19.086 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.490 -30.575 -17.459 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.119 -30.142 -18.029 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.698 -29.276 -18.657 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.927 -31.767 -18.942 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.085 -30.520 -20.202 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.416 -32.225 -20.590 1.00 0.00 H new ATOM 1860 N GLU A 116 8.886 -30.209 -22.647 1.00 0.00 N ATOM 1861 CA GLU A 116 9.834 -30.542 -23.703 1.00 0.00 C ATOM 1862 C GLU A 116 9.707 -29.572 -24.874 1.00 0.00 C ATOM 1863 O GLU A 116 10.514 -29.680 -25.820 1.00 0.00 O ATOM 1864 CB GLU A 116 9.608 -31.977 -24.184 1.00 0.00 C ATOM 1865 CG GLU A 116 10.894 -32.763 -24.377 1.00 0.00 C ATOM 1866 CD GLU A 116 11.033 -33.320 -25.781 1.00 0.00 C ATOM 1867 OE1 GLU A 116 10.300 -34.274 -26.116 1.00 0.00 O ATOM 1868 OE2 GLU A 116 11.875 -32.801 -26.544 1.00 0.00 O ATOM 0 H GLU A 116 8.032 -29.756 -22.974 1.00 0.00 H new ATOM 0 HA GLU A 116 10.841 -30.458 -23.295 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.978 -32.498 -23.463 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.061 -31.954 -25.127 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.746 -32.118 -24.160 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.925 -33.583 -23.660 1.00 0.00 H new TER 1875 GLU A 116