USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 817 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 Set 1.1: A 44 SER OG : rot 74:sc= 0.09 USER MOD Set 1.2: A 48 GLN : amide:sc= -1.76! C(o=-1.7!,f=-4.2!) USER MOD Set 2.1: A 30 TYR OH : rot 130:sc= -3.25! USER MOD Set 2.2: A 34 HIS : no HE2:sc= -22.4! C(o=-26!,f=-37!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 7 SER OG : rot 180:sc= -0.539 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.34) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= -5.82! (180deg=-5.91!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= -0.788 (180deg=-1.08) USER MOD Single : A 57 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-5.6!) USER MOD Single : A 59 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.4) USER MOD Single : A 63 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-6.4!) USER MOD Single : A 64 CYS SG : rot 60:sc= -2.2! USER MOD Single : A 65 GLN : amide:sc= 0.0913 K(o=0.091,f=-2.4) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.74 K(o=-0.74,f=-2.4!) USER MOD Single : A 73 ASN : amide:sc= -8.55! C(o=-8.6!,f=-6.2!) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= -0.101 (180deg=-0.786) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 8.214 -1.360 11.019 1.00 0.00 N ATOM 29 CA LEU A 3 7.794 -0.680 9.800 1.00 0.00 C ATOM 30 C LEU A 3 8.467 0.684 9.690 1.00 0.00 C ATOM 31 O LEU A 3 8.427 1.484 10.624 1.00 0.00 O ATOM 32 CB LEU A 3 6.273 -0.504 9.800 1.00 0.00 C ATOM 33 CG LEU A 3 5.862 0.399 10.966 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.820 1.857 10.501 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.476 -0.014 11.467 1.00 0.00 C ATOM 0 HA LEU A 3 8.089 -1.288 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.947 -0.067 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.784 -1.474 9.888 1.00 0.00 H new ATOM 0 HG LEU A 3 6.588 0.298 11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.527 2.496 11.334 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.807 2.154 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.096 1.960 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.183 0.629 12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.752 0.085 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.505 -1.051 11.803 1.00 0.00 H new ATOM 47 N THR A 4 9.083 0.942 8.541 1.00 0.00 N ATOM 48 CA THR A 4 9.762 2.214 8.318 1.00 0.00 C ATOM 49 C THR A 4 9.099 2.979 7.177 1.00 0.00 C ATOM 50 O THR A 4 8.641 2.385 6.201 1.00 0.00 O ATOM 51 CB THR A 4 11.235 1.968 7.985 1.00 0.00 C ATOM 52 OG1 THR A 4 11.944 1.663 9.177 1.00 0.00 O ATOM 53 CG2 THR A 4 11.830 3.220 7.340 1.00 0.00 C ATOM 0 H THR A 4 9.126 0.293 7.755 1.00 0.00 H new ATOM 0 HA THR A 4 9.692 2.809 9.229 1.00 0.00 H new ATOM 0 HB THR A 4 11.316 1.132 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.887 1.504 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.879 3.044 7.103 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.285 3.452 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.750 4.059 8.032 1.00 0.00 H new ATOM 61 N THR A 5 9.052 4.301 7.306 1.00 0.00 N ATOM 62 CA THR A 5 8.442 5.136 6.278 1.00 0.00 C ATOM 63 C THR A 5 9.392 5.309 5.099 1.00 0.00 C ATOM 64 O THR A 5 10.609 5.374 5.274 1.00 0.00 O ATOM 65 CB THR A 5 8.089 6.508 6.858 1.00 0.00 C ATOM 66 OG1 THR A 5 9.085 6.896 7.794 1.00 0.00 O ATOM 67 CG2 THR A 5 6.730 6.433 7.557 1.00 0.00 C ATOM 0 H THR A 5 9.426 4.813 8.105 1.00 0.00 H new ATOM 0 HA THR A 5 7.533 4.646 5.930 1.00 0.00 H new ATOM 0 HB THR A 5 8.042 7.242 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.861 7.775 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.479 7.410 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.967 6.136 6.838 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.775 5.700 8.362 1.00 0.00 H new ATOM 75 N ILE A 6 8.830 5.377 3.897 1.00 0.00 N ATOM 76 CA ILE A 6 9.644 5.536 2.700 1.00 0.00 C ATOM 77 C ILE A 6 9.030 6.568 1.760 1.00 0.00 C ATOM 78 O ILE A 6 7.869 6.949 1.908 1.00 0.00 O ATOM 79 CB ILE A 6 9.788 4.178 1.988 1.00 0.00 C ATOM 80 CG1 ILE A 6 11.268 3.810 1.904 1.00 0.00 C ATOM 81 CG2 ILE A 6 9.201 4.234 0.572 1.00 0.00 C ATOM 82 CD1 ILE A 6 11.408 2.334 1.526 1.00 0.00 C ATOM 0 H ILE A 6 7.826 5.325 3.727 1.00 0.00 H new ATOM 0 HA ILE A 6 10.631 5.893 2.992 1.00 0.00 H new ATOM 0 HB ILE A 6 9.242 3.427 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.767 4.435 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.755 3.999 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.316 3.262 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.143 4.489 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.727 4.991 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.464 2.072 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.924 1.717 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.936 2.160 0.559 1.00 0.00 H new ATOM 94 N SER A 7 9.820 7.002 0.788 1.00 0.00 N ATOM 95 CA SER A 7 9.351 7.980 -0.186 1.00 0.00 C ATOM 96 C SER A 7 9.012 7.283 -1.502 1.00 0.00 C ATOM 97 O SER A 7 9.697 6.344 -1.906 1.00 0.00 O ATOM 98 CB SER A 7 10.428 9.038 -0.427 1.00 0.00 C ATOM 99 OG SER A 7 9.810 10.249 -0.843 1.00 0.00 O ATOM 0 H SER A 7 10.783 6.695 0.652 1.00 0.00 H new ATOM 0 HA SER A 7 8.456 8.464 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.002 9.203 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.129 8.694 -1.187 1.00 0.00 H new ATOM 0 HG SER A 7 10.497 10.931 -0.997 1.00 0.00 H new ATOM 105 N PRO A 8 7.976 7.717 -2.171 1.00 0.00 N ATOM 106 CA PRO A 8 7.552 7.113 -3.462 1.00 0.00 C ATOM 107 C PRO A 8 8.741 6.805 -4.369 1.00 0.00 C ATOM 108 O PRO A 8 8.622 6.042 -5.328 1.00 0.00 O ATOM 109 CB PRO A 8 6.656 8.182 -4.086 1.00 0.00 C ATOM 110 CG PRO A 8 6.127 8.993 -2.945 1.00 0.00 C ATOM 111 CD PRO A 8 7.099 8.828 -1.771 1.00 0.00 C ATOM 0 HA PRO A 8 7.047 6.157 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.218 8.806 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.843 7.728 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.042 10.042 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.129 8.656 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.669 9.741 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.569 8.602 -0.846 1.00 0.00 H new ATOM 119 N HIS A 9 9.884 7.412 -4.063 1.00 0.00 N ATOM 120 CA HIS A 9 11.087 7.204 -4.863 1.00 0.00 C ATOM 121 C HIS A 9 11.782 5.900 -4.479 1.00 0.00 C ATOM 122 O HIS A 9 12.462 5.287 -5.302 1.00 0.00 O ATOM 123 CB HIS A 9 12.052 8.378 -4.668 1.00 0.00 C ATOM 124 CG HIS A 9 12.150 9.169 -5.946 1.00 0.00 C ATOM 125 ND1 HIS A 9 11.133 10.008 -6.374 1.00 0.00 N ATOM 126 CD2 HIS A 9 13.132 9.252 -6.901 1.00 0.00 C ATOM 127 CE1 HIS A 9 11.523 10.554 -7.541 1.00 0.00 C ATOM 128 NE2 HIS A 9 12.734 10.127 -7.908 1.00 0.00 N ATOM 0 H HIS A 9 10.003 8.047 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 9 10.792 7.142 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.703 9.018 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.036 8.009 -4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.071 8.719 -6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.929 11.253 -8.111 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.255 10.386 -8.746 1.00 0.00 H new ATOM 136 N ASP A 10 11.612 5.477 -3.230 1.00 0.00 N ATOM 137 CA ASP A 10 12.235 4.243 -2.769 1.00 0.00 C ATOM 138 C ASP A 10 11.383 3.040 -3.160 1.00 0.00 C ATOM 139 O ASP A 10 11.873 2.093 -3.774 1.00 0.00 O ATOM 140 CB ASP A 10 12.412 4.280 -1.249 1.00 0.00 C ATOM 141 CG ASP A 10 13.889 4.152 -0.890 1.00 0.00 C ATOM 142 OD1 ASP A 10 14.600 3.482 -1.621 1.00 0.00 O ATOM 143 OD2 ASP A 10 14.288 4.726 0.110 1.00 0.00 O ATOM 0 H ASP A 10 11.055 5.964 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 10 13.213 4.151 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.013 5.213 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.846 3.469 -0.789 1.00 0.00 H new ATOM 148 N ALA A 11 10.103 3.087 -2.803 1.00 0.00 N ATOM 149 CA ALA A 11 9.192 1.996 -3.126 1.00 0.00 C ATOM 150 C ALA A 11 9.385 1.552 -4.572 1.00 0.00 C ATOM 151 O ALA A 11 9.219 0.377 -4.899 1.00 0.00 O ATOM 152 CB ALA A 11 7.745 2.443 -2.914 1.00 0.00 C ATOM 0 H ALA A 11 9.677 3.862 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 11 9.410 1.156 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.071 1.622 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.602 2.733 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.529 3.294 -3.560 1.00 0.00 H new ATOM 158 N GLN A 12 9.740 2.500 -5.435 1.00 0.00 N ATOM 159 CA GLN A 12 9.959 2.192 -6.843 1.00 0.00 C ATOM 160 C GLN A 12 11.172 1.283 -7.001 1.00 0.00 C ATOM 161 O GLN A 12 11.074 0.192 -7.563 1.00 0.00 O ATOM 162 CB GLN A 12 10.177 3.482 -7.636 1.00 0.00 C ATOM 163 CG GLN A 12 10.343 3.149 -9.122 1.00 0.00 C ATOM 164 CD GLN A 12 11.665 3.707 -9.638 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.041 4.829 -9.298 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.397 2.987 -10.444 1.00 0.00 N ATOM 0 H GLN A 12 9.881 3.479 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 12 9.077 1.680 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.331 4.155 -7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.062 4.002 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.314 2.069 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.514 3.569 -9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.084 2.058 -10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.282 3.354 -10.793 1.00 0.00 H new ATOM 175 N GLU A 13 12.314 1.738 -6.495 1.00 0.00 N ATOM 176 CA GLU A 13 13.540 0.955 -6.580 1.00 0.00 C ATOM 177 C GLU A 13 13.267 -0.496 -6.199 1.00 0.00 C ATOM 178 O GLU A 13 13.963 -1.409 -6.644 1.00 0.00 O ATOM 179 CB GLU A 13 14.599 1.541 -5.645 1.00 0.00 C ATOM 180 CG GLU A 13 14.946 2.962 -6.095 1.00 0.00 C ATOM 181 CD GLU A 13 16.217 3.434 -5.397 1.00 0.00 C ATOM 182 OE1 GLU A 13 17.289 3.126 -5.889 1.00 0.00 O ATOM 183 OE2 GLU A 13 16.098 4.097 -4.379 1.00 0.00 O ATOM 0 H GLU A 13 12.415 2.638 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 13 13.906 0.990 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.228 1.553 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.493 0.917 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.084 2.986 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.122 3.637 -5.864 1.00 0.00 H new ATOM 190 N LEU A 14 12.244 -0.699 -5.376 1.00 0.00 N ATOM 191 CA LEU A 14 11.880 -2.042 -4.944 1.00 0.00 C ATOM 192 C LEU A 14 11.009 -2.716 -5.996 1.00 0.00 C ATOM 193 O LEU A 14 11.165 -3.904 -6.275 1.00 0.00 O ATOM 194 CB LEU A 14 11.128 -1.977 -3.617 1.00 0.00 C ATOM 195 CG LEU A 14 11.887 -1.075 -2.647 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.151 -1.039 -1.310 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.299 -1.627 -2.437 1.00 0.00 C ATOM 0 H LEU A 14 11.656 0.044 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 14 12.791 -2.626 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.121 -1.592 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.025 -2.977 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 14 11.949 -0.067 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.690 -0.396 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.144 -0.648 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.092 -2.047 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.842 -0.984 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.238 -2.634 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.824 -1.657 -3.392 1.00 0.00 H new ATOM 209 N ILE A 15 10.097 -1.948 -6.585 1.00 0.00 N ATOM 210 CA ILE A 15 9.221 -2.488 -7.614 1.00 0.00 C ATOM 211 C ILE A 15 10.053 -3.237 -8.644 1.00 0.00 C ATOM 212 O ILE A 15 9.564 -4.140 -9.324 1.00 0.00 O ATOM 213 CB ILE A 15 8.452 -1.358 -8.301 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.400 -0.799 -7.340 1.00 0.00 C ATOM 215 CG2 ILE A 15 7.760 -1.898 -9.554 1.00 0.00 C ATOM 216 CD1 ILE A 15 6.730 0.426 -7.969 1.00 0.00 C ATOM 0 H ILE A 15 9.948 -0.962 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 15 8.507 -3.170 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 15 9.146 -0.566 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.653 -1.561 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.866 -0.525 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.212 -1.092 -10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.508 -2.297 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.066 -2.690 -9.274 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.981 0.823 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.482 1.190 -8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.250 0.138 -8.904 1.00 0.00 H new ATOM 228 N ALA A 16 11.322 -2.855 -8.742 1.00 0.00 N ATOM 229 CA ALA A 16 12.236 -3.494 -9.679 1.00 0.00 C ATOM 230 C ALA A 16 12.849 -4.735 -9.043 1.00 0.00 C ATOM 231 O ALA A 16 13.338 -5.628 -9.735 1.00 0.00 O ATOM 232 CB ALA A 16 13.345 -2.519 -10.079 1.00 0.00 C ATOM 0 H ALA A 16 11.739 -2.109 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 16 11.679 -3.785 -10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.023 -3.007 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.905 -1.641 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.899 -2.214 -9.191 1.00 0.00 H new ATOM 238 N ARG A 17 12.815 -4.777 -7.716 1.00 0.00 N ATOM 239 CA ARG A 17 13.365 -5.905 -6.976 1.00 0.00 C ATOM 240 C ARG A 17 12.342 -7.033 -6.883 1.00 0.00 C ATOM 241 O ARG A 17 12.683 -8.207 -7.020 1.00 0.00 O ATOM 242 CB ARG A 17 13.759 -5.455 -5.568 1.00 0.00 C ATOM 243 CG ARG A 17 14.247 -6.660 -4.761 1.00 0.00 C ATOM 244 CD ARG A 17 15.665 -6.393 -4.254 1.00 0.00 C ATOM 245 NE ARG A 17 16.081 -7.449 -3.339 1.00 0.00 N ATOM 246 CZ ARG A 17 17.329 -7.514 -2.888 1.00 0.00 C ATOM 247 NH1 ARG A 17 18.205 -6.622 -3.263 1.00 0.00 N ATOM 248 NH2 ARG A 17 17.679 -8.469 -2.072 1.00 0.00 N ATOM 0 H ARG A 17 12.413 -4.044 -7.132 1.00 0.00 H new ATOM 0 HA ARG A 17 14.246 -6.272 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.543 -4.700 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.906 -4.993 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.577 -6.844 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.234 -7.556 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.355 -6.339 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.702 -5.428 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 17 15.403 -8.150 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.931 -5.876 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.163 -6.671 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.995 -9.166 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.637 -8.519 -1.726 1.00 0.00 H new ATOM 262 N GLY A 18 11.086 -6.667 -6.647 1.00 0.00 N ATOM 263 CA GLY A 18 10.019 -7.655 -6.535 1.00 0.00 C ATOM 264 C GLY A 18 9.065 -7.298 -5.401 1.00 0.00 C ATOM 265 O GLY A 18 8.024 -7.932 -5.230 1.00 0.00 O ATOM 0 H GLY A 18 10.783 -5.700 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.469 -7.711 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.448 -8.641 -6.358 1.00 0.00 H new ATOM 269 N ALA A 19 9.427 -6.278 -4.628 1.00 0.00 N ATOM 270 CA ALA A 19 8.594 -5.844 -3.512 1.00 0.00 C ATOM 271 C ALA A 19 7.121 -6.090 -3.815 1.00 0.00 C ATOM 272 O ALA A 19 6.707 -6.087 -4.974 1.00 0.00 O ATOM 273 CB ALA A 19 8.818 -4.356 -3.243 1.00 0.00 C ATOM 0 H ALA A 19 10.285 -5.740 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 19 8.873 -6.420 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.193 -4.039 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.866 -4.184 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.555 -3.782 -4.132 1.00 0.00 H new ATOM 279 N LYS A 20 6.334 -6.307 -2.766 1.00 0.00 N ATOM 280 CA LYS A 20 4.911 -6.558 -2.931 1.00 0.00 C ATOM 281 C LYS A 20 4.090 -5.373 -2.432 1.00 0.00 C ATOM 282 O LYS A 20 3.857 -5.229 -1.232 1.00 0.00 O ATOM 283 CB LYS A 20 4.518 -7.812 -2.148 1.00 0.00 C ATOM 284 CG LYS A 20 4.905 -9.068 -2.936 1.00 0.00 C ATOM 285 CD LYS A 20 3.943 -10.205 -2.586 1.00 0.00 C ATOM 286 CE LYS A 20 2.648 -10.042 -3.385 1.00 0.00 C ATOM 287 NZ LYS A 20 1.479 -10.161 -2.467 1.00 0.00 N ATOM 0 H LYS A 20 6.657 -6.314 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 20 4.707 -6.702 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.015 -7.815 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.445 -7.809 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.870 -8.864 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.929 -9.358 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.403 -11.167 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.727 -10.197 -1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.635 -9.073 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.591 -10.802 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.608 -9.917 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.412 -11.137 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.601 -9.512 -1.664 1.00 0.00 H new ATOM 301 N LEU A 21 3.644 -4.534 -3.361 1.00 0.00 N ATOM 302 CA LEU A 21 2.838 -3.373 -3.003 1.00 0.00 C ATOM 303 C LEU A 21 1.381 -3.786 -2.824 1.00 0.00 C ATOM 304 O LEU A 21 0.835 -4.530 -3.639 1.00 0.00 O ATOM 305 CB LEU A 21 2.939 -2.306 -4.094 1.00 0.00 C ATOM 306 CG LEU A 21 4.167 -1.429 -3.844 1.00 0.00 C ATOM 307 CD1 LEU A 21 4.915 -1.213 -5.160 1.00 0.00 C ATOM 308 CD2 LEU A 21 3.723 -0.076 -3.282 1.00 0.00 C ATOM 0 H LEU A 21 3.825 -4.635 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 21 3.213 -2.962 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.011 -2.779 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.038 -1.693 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 21 4.825 -1.921 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.790 -0.588 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.232 -2.176 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.257 -0.721 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.598 0.549 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.065 0.417 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.189 -0.229 -2.344 1.00 0.00 H new ATOM 320 N ILE A 22 0.758 -3.308 -1.753 1.00 0.00 N ATOM 321 CA ILE A 22 -0.634 -3.650 -1.485 1.00 0.00 C ATOM 322 C ILE A 22 -1.456 -2.404 -1.181 1.00 0.00 C ATOM 323 O ILE A 22 -0.992 -1.489 -0.500 1.00 0.00 O ATOM 324 CB ILE A 22 -0.715 -4.609 -0.299 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.282 -5.752 -0.500 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.131 -5.179 -0.199 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.102 -6.787 0.612 1.00 0.00 C ATOM 0 H ILE A 22 1.188 -2.690 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.041 -4.128 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.474 -4.073 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.127 -6.217 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.301 -5.366 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.189 -5.863 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.842 -4.365 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.373 -5.715 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.812 -7.602 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.279 -6.316 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.914 -7.181 0.581 1.00 0.00 H new ATOM 339 N ASP A 23 -2.685 -2.385 -1.682 1.00 0.00 N ATOM 340 CA ASP A 23 -3.579 -1.258 -1.453 1.00 0.00 C ATOM 341 C ASP A 23 -4.736 -1.680 -0.553 1.00 0.00 C ATOM 342 O ASP A 23 -5.325 -2.744 -0.744 1.00 0.00 O ATOM 343 CB ASP A 23 -4.126 -0.741 -2.785 1.00 0.00 C ATOM 344 CG ASP A 23 -4.403 0.755 -2.691 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.846 1.191 -1.641 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.167 1.444 -3.670 1.00 0.00 O ATOM 0 H ASP A 23 -3.084 -3.134 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.018 -0.462 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.409 -0.937 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.042 -1.273 -3.042 1.00 0.00 H new ATOM 351 N ILE A 24 -5.059 -0.841 0.424 1.00 0.00 N ATOM 352 CA ILE A 24 -6.149 -1.139 1.343 1.00 0.00 C ATOM 353 C ILE A 24 -7.089 0.054 1.448 1.00 0.00 C ATOM 354 O ILE A 24 -6.998 0.859 2.375 1.00 0.00 O ATOM 355 CB ILE A 24 -5.597 -1.489 2.725 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.511 -0.482 3.111 1.00 0.00 C ATOM 357 CG2 ILE A 24 -5.001 -2.898 2.697 1.00 0.00 C ATOM 358 CD1 ILE A 24 -4.273 -0.544 4.621 1.00 0.00 C ATOM 0 H ILE A 24 -4.585 0.045 0.599 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.703 -1.995 0.958 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.404 -1.452 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.587 -0.704 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.813 0.524 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.608 -3.146 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.775 -3.615 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.195 -2.938 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.500 0.173 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.197 -0.301 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.952 -1.548 4.898 1.00 0.00 H new ATOM 370 N ARG A 25 -7.985 0.158 0.478 1.00 0.00 N ATOM 371 CA ARG A 25 -8.949 1.251 0.437 1.00 0.00 C ATOM 372 C ARG A 25 -10.193 0.831 -0.344 1.00 0.00 C ATOM 373 O ARG A 25 -10.598 -0.331 -0.300 1.00 0.00 O ATOM 374 CB ARG A 25 -8.310 2.475 -0.226 1.00 0.00 C ATOM 375 CG ARG A 25 -7.933 2.133 -1.669 1.00 0.00 C ATOM 376 CD ARG A 25 -7.355 3.373 -2.354 1.00 0.00 C ATOM 377 NE ARG A 25 -6.249 2.998 -3.229 1.00 0.00 N ATOM 378 CZ ARG A 25 -5.540 3.920 -3.873 1.00 0.00 C ATOM 379 NH1 ARG A 25 -5.833 5.183 -3.733 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.550 3.561 -4.645 1.00 0.00 N ATOM 0 H ARG A 25 -8.066 -0.503 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.243 1.502 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.004 3.315 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.424 2.782 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.203 1.323 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.810 1.781 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.132 3.873 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.009 4.084 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.016 2.012 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.606 5.463 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.289 5.891 -4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.321 2.573 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.006 4.268 -5.139 1.00 0.00 H new ATOM 394 N ASP A 26 -10.792 1.777 -1.060 1.00 0.00 N ATOM 395 CA ASP A 26 -11.984 1.485 -1.847 1.00 0.00 C ATOM 396 C ASP A 26 -11.622 1.335 -3.320 1.00 0.00 C ATOM 397 O ASP A 26 -11.167 2.286 -3.956 1.00 0.00 O ATOM 398 CB ASP A 26 -13.008 2.612 -1.688 1.00 0.00 C ATOM 399 CG ASP A 26 -13.838 2.392 -0.428 1.00 0.00 C ATOM 400 OD1 ASP A 26 -14.345 1.295 -0.260 1.00 0.00 O ATOM 401 OD2 ASP A 26 -13.956 3.324 0.350 1.00 0.00 O ATOM 0 H ASP A 26 -10.475 2.745 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.415 0.551 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.497 3.573 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.660 2.647 -2.561 1.00 0.00 H new ATOM 406 N ALA A 27 -11.826 0.138 -3.861 1.00 0.00 N ATOM 407 CA ALA A 27 -11.513 -0.110 -5.262 1.00 0.00 C ATOM 408 C ALA A 27 -12.041 1.027 -6.128 1.00 0.00 C ATOM 409 O ALA A 27 -11.411 1.414 -7.111 1.00 0.00 O ATOM 410 CB ALA A 27 -12.128 -1.434 -5.716 1.00 0.00 C ATOM 0 H ALA A 27 -12.202 -0.665 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.430 -0.167 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.886 -1.607 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.726 -2.248 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.210 -1.393 -5.595 1.00 0.00 H new ATOM 416 N ASP A 28 -13.198 1.567 -5.752 1.00 0.00 N ATOM 417 CA ASP A 28 -13.790 2.667 -6.503 1.00 0.00 C ATOM 418 C ASP A 28 -12.739 3.740 -6.764 1.00 0.00 C ATOM 419 O ASP A 28 -12.740 4.386 -7.812 1.00 0.00 O ATOM 420 CB ASP A 28 -14.960 3.269 -5.721 1.00 0.00 C ATOM 421 CG ASP A 28 -15.531 4.464 -6.477 1.00 0.00 C ATOM 422 OD1 ASP A 28 -14.876 5.493 -6.500 1.00 0.00 O ATOM 423 OD2 ASP A 28 -16.614 4.332 -7.022 1.00 0.00 O ATOM 0 H ASP A 28 -13.738 1.264 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.159 2.286 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.735 2.517 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.625 3.580 -4.731 1.00 0.00 H new ATOM 428 N GLU A 29 -11.834 3.912 -5.805 1.00 0.00 N ATOM 429 CA GLU A 29 -10.767 4.895 -5.939 1.00 0.00 C ATOM 430 C GLU A 29 -9.598 4.287 -6.704 1.00 0.00 C ATOM 431 O GLU A 29 -8.892 4.979 -7.437 1.00 0.00 O ATOM 432 CB GLU A 29 -10.293 5.347 -4.556 1.00 0.00 C ATOM 433 CG GLU A 29 -11.432 6.070 -3.835 1.00 0.00 C ATOM 434 CD GLU A 29 -10.866 7.005 -2.772 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.937 6.601 -2.091 1.00 0.00 O ATOM 436 OE2 GLU A 29 -11.369 8.109 -2.654 1.00 0.00 O ATOM 0 H GLU A 29 -11.819 3.386 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.149 5.757 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.968 4.486 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.433 6.009 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.025 6.638 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.100 5.343 -3.373 1.00 0.00 H new ATOM 443 N TYR A 30 -9.406 2.984 -6.526 1.00 0.00 N ATOM 444 CA TYR A 30 -8.325 2.276 -7.201 1.00 0.00 C ATOM 445 C TYR A 30 -8.643 2.105 -8.684 1.00 0.00 C ATOM 446 O TYR A 30 -7.744 2.077 -9.523 1.00 0.00 O ATOM 447 CB TYR A 30 -8.130 0.901 -6.558 1.00 0.00 C ATOM 448 CG TYR A 30 -6.724 0.413 -6.815 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.637 1.063 -6.218 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.509 -0.692 -7.647 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.334 0.607 -6.454 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.206 -1.148 -7.882 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.119 -0.498 -7.286 1.00 0.00 C ATOM 454 OH TYR A 30 -2.835 -0.947 -7.518 1.00 0.00 O ATOM 0 H TYR A 30 -9.983 2.399 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.410 2.860 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.314 0.961 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.851 0.193 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.803 1.915 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.348 -1.193 -8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.495 1.108 -5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.040 -2.001 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.794 -1.914 -7.363 1.00 0.00 H new ATOM 464 N LEU A 31 -9.930 1.991 -8.997 1.00 0.00 N ATOM 465 CA LEU A 31 -10.359 1.823 -10.380 1.00 0.00 C ATOM 466 C LEU A 31 -10.024 3.065 -11.197 1.00 0.00 C ATOM 467 O LEU A 31 -9.286 2.993 -12.180 1.00 0.00 O ATOM 468 CB LEU A 31 -11.866 1.568 -10.429 1.00 0.00 C ATOM 469 CG LEU A 31 -12.203 0.726 -11.660 1.00 0.00 C ATOM 470 CD1 LEU A 31 -11.973 -0.754 -11.346 1.00 0.00 C ATOM 471 CD2 LEU A 31 -13.670 0.945 -12.038 1.00 0.00 C ATOM 0 H LEU A 31 -10.689 2.012 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.832 0.969 -10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.188 1.053 -9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.404 2.515 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.563 1.024 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.213 -1.354 -12.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.929 -0.910 -11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.613 -1.053 -10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.913 0.346 -12.916 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.308 0.646 -11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.835 1.999 -12.262 1.00 0.00 H new ATOM 483 N ARG A 32 -10.567 4.204 -10.781 1.00 0.00 N ATOM 484 CA ARG A 32 -10.312 5.455 -11.482 1.00 0.00 C ATOM 485 C ARG A 32 -8.812 5.685 -11.616 1.00 0.00 C ATOM 486 O ARG A 32 -8.355 6.372 -12.529 1.00 0.00 O ATOM 487 CB ARG A 32 -10.953 6.619 -10.723 1.00 0.00 C ATOM 488 CG ARG A 32 -10.204 6.863 -9.410 1.00 0.00 C ATOM 489 CD ARG A 32 -9.519 8.230 -9.457 1.00 0.00 C ATOM 490 NE ARG A 32 -8.894 8.438 -10.759 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.372 9.614 -11.090 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.414 10.607 -10.245 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.817 9.776 -12.260 1.00 0.00 N ATOM 0 H ARG A 32 -11.180 4.286 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.750 5.396 -12.478 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.932 7.520 -11.336 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.000 6.398 -10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.898 6.821 -8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.464 6.079 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.249 9.017 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.767 8.295 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.857 7.667 -11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.848 10.480 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.013 11.510 -10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.784 9.000 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.416 10.679 -12.514 1.00 0.00 H new ATOM 507 N GLU A 33 -8.056 5.097 -10.699 1.00 0.00 N ATOM 508 CA GLU A 33 -6.604 5.228 -10.711 1.00 0.00 C ATOM 509 C GLU A 33 -5.960 4.010 -10.055 1.00 0.00 C ATOM 510 O GLU A 33 -6.176 3.745 -8.873 1.00 0.00 O ATOM 511 CB GLU A 33 -6.187 6.497 -9.965 1.00 0.00 C ATOM 512 CG GLU A 33 -4.800 6.934 -10.438 1.00 0.00 C ATOM 513 CD GLU A 33 -4.347 8.165 -9.660 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.520 8.175 -8.452 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.835 9.080 -10.284 1.00 0.00 O ATOM 0 H GLU A 33 -8.423 4.525 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.267 5.293 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.911 7.292 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.175 6.313 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.086 6.122 -10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.824 7.156 -11.505 1.00 0.00 H new ATOM 522 N HIS A 34 -5.172 3.271 -10.830 1.00 0.00 N ATOM 523 CA HIS A 34 -4.508 2.081 -10.308 1.00 0.00 C ATOM 524 C HIS A 34 -3.091 1.972 -10.864 1.00 0.00 C ATOM 525 O HIS A 34 -2.804 2.458 -11.958 1.00 0.00 O ATOM 526 CB HIS A 34 -5.312 0.830 -10.679 1.00 0.00 C ATOM 527 CG HIS A 34 -4.406 -0.371 -10.695 1.00 0.00 C ATOM 528 ND1 HIS A 34 -3.446 -0.587 -9.720 1.00 0.00 N ATOM 529 CD2 HIS A 34 -4.307 -1.431 -11.562 1.00 0.00 C ATOM 530 CE1 HIS A 34 -2.817 -1.738 -10.019 1.00 0.00 C ATOM 531 NE2 HIS A 34 -3.302 -2.293 -11.133 1.00 0.00 N ATOM 0 H HIS A 34 -4.979 3.472 -11.811 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.451 2.162 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.119 0.679 -9.962 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.775 0.961 -11.657 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.251 0.017 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.916 -1.574 -12.442 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.017 -2.162 -9.430 1.00 0.00 H new ATOM 539 N ILE A 35 -2.209 1.337 -10.100 1.00 0.00 N ATOM 540 CA ILE A 35 -0.822 1.175 -10.520 1.00 0.00 C ATOM 541 C ILE A 35 -0.525 -0.285 -10.844 1.00 0.00 C ATOM 542 O ILE A 35 -0.189 -1.065 -9.955 1.00 0.00 O ATOM 543 CB ILE A 35 0.113 1.643 -9.404 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.478 2.885 -8.730 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.482 1.984 -9.995 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.351 3.242 -7.494 1.00 0.00 C ATOM 0 H ILE A 35 -2.428 0.928 -9.192 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.661 1.776 -11.415 1.00 0.00 H new ATOM 0 HB ILE A 35 0.225 0.849 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.486 3.721 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.513 2.698 -8.444 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.149 2.318 -9.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.902 1.099 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.372 2.778 -10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.071 4.126 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.336 2.408 -6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.379 3.447 -7.792 1.00 0.00 H new ATOM 558 N PRO A 36 -0.640 -0.661 -12.092 1.00 0.00 N ATOM 559 CA PRO A 36 -0.376 -2.060 -12.545 1.00 0.00 C ATOM 560 C PRO A 36 0.957 -2.598 -12.027 1.00 0.00 C ATOM 561 O PRO A 36 1.880 -2.850 -12.801 1.00 0.00 O ATOM 562 CB PRO A 36 -0.363 -1.952 -14.072 1.00 0.00 C ATOM 563 CG PRO A 36 -1.180 -0.745 -14.393 1.00 0.00 C ATOM 564 CD PRO A 36 -1.037 0.210 -13.209 1.00 0.00 C ATOM 0 HA PRO A 36 -1.125 -2.756 -12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.654 -1.849 -14.450 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.785 -2.845 -14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.832 -0.276 -15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.225 -1.015 -14.548 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.287 0.976 -13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.973 0.727 -12.998 1.00 0.00 H new ATOM 572 N GLU A 37 1.044 -2.772 -10.713 1.00 0.00 N ATOM 573 CA GLU A 37 2.262 -3.282 -10.091 1.00 0.00 C ATOM 574 C GLU A 37 2.083 -3.395 -8.580 1.00 0.00 C ATOM 575 O GLU A 37 3.048 -3.305 -7.820 1.00 0.00 O ATOM 576 CB GLU A 37 3.434 -2.351 -10.398 1.00 0.00 C ATOM 577 CG GLU A 37 3.206 -1.002 -9.716 1.00 0.00 C ATOM 578 CD GLU A 37 4.045 0.074 -10.397 1.00 0.00 C ATOM 579 OE1 GLU A 37 4.343 -0.090 -11.569 1.00 0.00 O ATOM 580 OE2 GLU A 37 4.378 1.044 -9.737 1.00 0.00 O ATOM 0 H GLU A 37 0.288 -2.568 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 37 2.469 -4.272 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.366 -2.795 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.531 -2.214 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.150 -0.735 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.472 -1.069 -8.661 1.00 0.00 H new ATOM 587 N ALA A 38 0.841 -3.595 -8.154 1.00 0.00 N ATOM 588 CA ALA A 38 0.534 -3.721 -6.733 1.00 0.00 C ATOM 589 C ALA A 38 -0.750 -4.520 -6.537 1.00 0.00 C ATOM 590 O ALA A 38 -1.614 -4.547 -7.413 1.00 0.00 O ATOM 591 CB ALA A 38 0.375 -2.336 -6.105 1.00 0.00 C ATOM 0 H ALA A 38 0.032 -3.673 -8.770 1.00 0.00 H new ATOM 0 HA ALA A 38 1.357 -4.245 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.146 -2.441 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.302 -1.775 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.437 -1.803 -6.600 1.00 0.00 H new ATOM 597 N ASP A 39 -0.869 -5.169 -5.384 1.00 0.00 N ATOM 598 CA ASP A 39 -2.053 -5.967 -5.089 1.00 0.00 C ATOM 599 C ASP A 39 -3.165 -5.092 -4.519 1.00 0.00 C ATOM 600 O ASP A 39 -2.907 -4.152 -3.767 1.00 0.00 O ATOM 601 CB ASP A 39 -1.705 -7.069 -4.088 1.00 0.00 C ATOM 602 CG ASP A 39 -0.443 -7.799 -4.534 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.231 -7.290 -5.415 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.169 -8.855 -3.989 1.00 0.00 O ATOM 0 H ASP A 39 -0.167 -5.159 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.403 -6.417 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.555 -6.638 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.533 -7.773 -4.007 1.00 0.00 H new ATOM 609 N LEU A 40 -4.403 -5.409 -4.885 1.00 0.00 N ATOM 610 CA LEU A 40 -5.552 -4.650 -4.407 1.00 0.00 C ATOM 611 C LEU A 40 -6.350 -5.471 -3.399 1.00 0.00 C ATOM 612 O LEU A 40 -6.927 -6.501 -3.745 1.00 0.00 O ATOM 613 CB LEU A 40 -6.451 -4.276 -5.588 1.00 0.00 C ATOM 614 CG LEU A 40 -7.692 -3.543 -5.077 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.282 -2.201 -4.468 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.653 -3.299 -6.243 1.00 0.00 C ATOM 0 H LEU A 40 -4.635 -6.183 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.193 -3.744 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.905 -3.643 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.745 -5.173 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.184 -4.150 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.168 -1.680 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.596 -2.372 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.789 -1.593 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.539 -2.777 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.158 -2.692 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.947 -4.254 -6.678 1.00 0.00 H new ATOM 628 N ALA A 41 -6.377 -5.011 -2.152 1.00 0.00 N ATOM 629 CA ALA A 41 -7.106 -5.719 -1.108 1.00 0.00 C ATOM 630 C ALA A 41 -7.747 -4.731 -0.138 1.00 0.00 C ATOM 631 O ALA A 41 -7.094 -4.254 0.791 1.00 0.00 O ATOM 632 CB ALA A 41 -6.153 -6.638 -0.343 1.00 0.00 C ATOM 0 H ALA A 41 -5.907 -4.160 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.891 -6.313 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.703 -7.165 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.715 -7.362 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.360 -6.043 0.111 1.00 0.00 H new ATOM 638 N PRO A 42 -9.003 -4.417 -0.330 1.00 0.00 N ATOM 639 CA PRO A 42 -9.731 -3.465 0.554 1.00 0.00 C ATOM 640 C PRO A 42 -9.461 -3.739 2.027 1.00 0.00 C ATOM 641 O PRO A 42 -9.671 -4.850 2.508 1.00 0.00 O ATOM 642 CB PRO A 42 -11.199 -3.714 0.213 1.00 0.00 C ATOM 643 CG PRO A 42 -11.191 -4.187 -1.203 1.00 0.00 C ATOM 644 CD PRO A 42 -9.868 -4.932 -1.406 1.00 0.00 C ATOM 0 HA PRO A 42 -9.421 -2.432 0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.637 -4.460 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.789 -2.804 0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.039 -4.843 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.273 -3.347 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.001 -6.011 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.444 -4.732 -2.390 1.00 0.00 H new ATOM 652 N LEU A 43 -8.992 -2.722 2.737 1.00 0.00 N ATOM 653 CA LEU A 43 -8.696 -2.875 4.153 1.00 0.00 C ATOM 654 C LEU A 43 -9.714 -3.792 4.816 1.00 0.00 C ATOM 655 O LEU A 43 -9.366 -4.837 5.367 1.00 0.00 O ATOM 656 CB LEU A 43 -8.722 -1.512 4.845 1.00 0.00 C ATOM 657 CG LEU A 43 -7.709 -1.529 5.982 1.00 0.00 C ATOM 658 CD1 LEU A 43 -7.599 -0.138 6.611 1.00 0.00 C ATOM 659 CD2 LEU A 43 -8.156 -2.532 7.045 1.00 0.00 C ATOM 0 H LEU A 43 -8.810 -1.792 2.360 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.703 -3.315 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.481 -0.722 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.720 -1.301 5.230 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.736 -1.819 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.872 -0.162 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.276 0.578 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.571 0.162 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.432 -2.546 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.133 -2.241 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.223 -3.526 6.602 1.00 0.00 H new ATOM 671 N SER A 44 -10.970 -3.383 4.759 1.00 0.00 N ATOM 672 CA SER A 44 -12.053 -4.158 5.358 1.00 0.00 C ATOM 673 C SER A 44 -11.904 -5.643 5.038 1.00 0.00 C ATOM 674 O SER A 44 -12.385 -6.498 5.781 1.00 0.00 O ATOM 675 CB SER A 44 -13.402 -3.657 4.841 1.00 0.00 C ATOM 676 OG SER A 44 -14.070 -4.717 4.170 1.00 0.00 O ATOM 0 H SER A 44 -11.269 -2.520 4.305 1.00 0.00 H new ATOM 0 HA SER A 44 -12.005 -4.029 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.010 -3.295 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.255 -2.817 4.162 1.00 0.00 H new ATOM 0 HG SER A 44 -14.409 -5.359 4.828 1.00 0.00 H new ATOM 682 N VAL A 45 -11.240 -5.944 3.926 1.00 0.00 N ATOM 683 CA VAL A 45 -11.041 -7.331 3.517 1.00 0.00 C ATOM 684 C VAL A 45 -9.993 -8.014 4.395 1.00 0.00 C ATOM 685 O VAL A 45 -10.134 -9.185 4.745 1.00 0.00 O ATOM 686 CB VAL A 45 -10.609 -7.386 2.045 1.00 0.00 C ATOM 687 CG1 VAL A 45 -9.085 -7.509 1.942 1.00 0.00 C ATOM 688 CG2 VAL A 45 -11.259 -8.596 1.371 1.00 0.00 C ATOM 0 H VAL A 45 -10.833 -5.252 3.296 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.985 -7.862 3.635 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.926 -6.468 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.793 -7.547 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.617 -6.647 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.759 -8.421 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.954 -8.638 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.943 -9.508 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.344 -8.506 1.429 1.00 0.00 H new ATOM 698 N LEU A 46 -8.942 -7.278 4.741 1.00 0.00 N ATOM 699 CA LEU A 46 -7.875 -7.829 5.570 1.00 0.00 C ATOM 700 C LEU A 46 -8.241 -7.749 7.049 1.00 0.00 C ATOM 701 O LEU A 46 -8.017 -8.694 7.805 1.00 0.00 O ATOM 702 CB LEU A 46 -6.573 -7.064 5.322 1.00 0.00 C ATOM 703 CG LEU A 46 -5.413 -7.793 6.003 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.178 -7.745 5.101 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.094 -7.111 7.335 1.00 0.00 C ATOM 0 H LEU A 46 -8.806 -6.306 4.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.739 -8.876 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.386 -6.982 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.656 -6.049 5.710 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.693 -8.831 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.352 -8.265 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.402 -8.229 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.898 -6.707 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.268 -7.630 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.815 -6.073 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.972 -7.144 7.980 1.00 0.00 H new ATOM 717 N GLU A 47 -8.800 -6.614 7.457 1.00 0.00 N ATOM 718 CA GLU A 47 -9.185 -6.424 8.850 1.00 0.00 C ATOM 719 C GLU A 47 -10.262 -7.425 9.257 1.00 0.00 C ATOM 720 O GLU A 47 -10.349 -7.817 10.420 1.00 0.00 O ATOM 721 CB GLU A 47 -9.705 -5.001 9.060 1.00 0.00 C ATOM 722 CG GLU A 47 -9.395 -4.551 10.489 1.00 0.00 C ATOM 723 CD GLU A 47 -10.501 -3.633 10.999 1.00 0.00 C ATOM 724 OE1 GLU A 47 -11.591 -4.127 11.235 1.00 0.00 O ATOM 725 OE2 GLU A 47 -10.241 -2.450 11.144 1.00 0.00 O ATOM 0 H GLU A 47 -8.995 -5.819 6.849 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.304 -6.586 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.240 -4.323 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.780 -4.965 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.303 -5.420 11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.438 -4.030 10.515 1.00 0.00 H new ATOM 732 N GLN A 48 -11.084 -7.830 8.295 1.00 0.00 N ATOM 733 CA GLN A 48 -12.155 -8.781 8.573 1.00 0.00 C ATOM 734 C GLN A 48 -11.731 -10.201 8.210 1.00 0.00 C ATOM 735 O GLN A 48 -12.032 -11.150 8.934 1.00 0.00 O ATOM 736 CB GLN A 48 -13.408 -8.403 7.780 1.00 0.00 C ATOM 737 CG GLN A 48 -13.286 -8.928 6.349 1.00 0.00 C ATOM 738 CD GLN A 48 -14.334 -8.268 5.461 1.00 0.00 C ATOM 739 OE1 GLN A 48 -14.910 -7.246 5.833 1.00 0.00 O ATOM 740 NE2 GLN A 48 -14.618 -8.795 4.301 1.00 0.00 N ATOM 0 H GLN A 48 -11.031 -7.519 7.325 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.373 -8.745 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.293 -8.822 8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.533 -7.320 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.288 -8.723 5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.417 -10.010 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.139 -9.642 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.319 -8.360 3.701 1.00 0.00 H new ATOM 749 N SER A 49 -11.036 -10.343 7.086 1.00 0.00 N ATOM 750 CA SER A 49 -10.585 -11.658 6.642 1.00 0.00 C ATOM 751 C SER A 49 -9.233 -12.001 7.256 1.00 0.00 C ATOM 752 O SER A 49 -9.077 -13.041 7.897 1.00 0.00 O ATOM 753 CB SER A 49 -10.474 -11.688 5.118 1.00 0.00 C ATOM 754 OG SER A 49 -10.614 -13.028 4.664 1.00 0.00 O ATOM 0 H SER A 49 -10.775 -9.572 6.471 1.00 0.00 H new ATOM 0 HA SER A 49 -11.317 -12.397 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.245 -11.059 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.512 -11.284 4.804 1.00 0.00 H new ATOM 0 HG SER A 49 -10.545 -13.051 3.687 1.00 0.00 H new ATOM 760 N GLY A 50 -8.260 -11.125 7.050 1.00 0.00 N ATOM 761 CA GLY A 50 -6.922 -11.349 7.582 1.00 0.00 C ATOM 762 C GLY A 50 -6.141 -12.290 6.676 1.00 0.00 C ATOM 763 O GLY A 50 -6.080 -13.495 6.920 1.00 0.00 O ATOM 0 H GLY A 50 -8.369 -10.259 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.395 -10.399 7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.988 -11.771 8.585 1.00 0.00 H new ATOM 767 N LEU A 51 -5.555 -11.731 5.625 1.00 0.00 N ATOM 768 CA LEU A 51 -4.784 -12.523 4.674 1.00 0.00 C ATOM 769 C LEU A 51 -3.289 -12.250 4.833 1.00 0.00 C ATOM 770 O LEU A 51 -2.773 -11.266 4.305 1.00 0.00 O ATOM 771 CB LEU A 51 -5.217 -12.178 3.247 1.00 0.00 C ATOM 772 CG LEU A 51 -4.710 -13.249 2.280 1.00 0.00 C ATOM 773 CD1 LEU A 51 -5.556 -14.516 2.426 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.817 -12.728 0.845 1.00 0.00 C ATOM 0 H LEU A 51 -5.598 -10.735 5.409 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.970 -13.579 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.304 -12.111 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.823 -11.202 2.963 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.670 -13.481 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.193 -15.278 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.482 -14.887 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.597 -14.287 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.456 -13.489 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.858 -12.496 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.213 -11.827 0.739 1.00 0.00 H new ATOM 786 N PRO A 52 -2.590 -13.096 5.547 1.00 0.00 N ATOM 787 CA PRO A 52 -1.124 -12.936 5.774 1.00 0.00 C ATOM 788 C PRO A 52 -0.356 -12.745 4.469 1.00 0.00 C ATOM 789 O PRO A 52 0.432 -13.603 4.072 1.00 0.00 O ATOM 790 CB PRO A 52 -0.708 -14.240 6.460 1.00 0.00 C ATOM 791 CG PRO A 52 -1.954 -14.793 7.067 1.00 0.00 C ATOM 792 CD PRO A 52 -3.120 -14.296 6.214 1.00 0.00 C ATOM 0 HA PRO A 52 -0.903 -12.049 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.278 -14.940 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.050 -14.057 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.925 -15.882 7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.061 -14.461 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.434 -15.048 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.990 -14.060 6.827 1.00 0.00 H new ATOM 800 N ALA A 53 -0.588 -11.616 3.809 1.00 0.00 N ATOM 801 CA ALA A 53 0.093 -11.325 2.553 1.00 0.00 C ATOM 802 C ALA A 53 1.599 -11.491 2.718 1.00 0.00 C ATOM 803 O ALA A 53 2.329 -11.652 1.740 1.00 0.00 O ATOM 804 CB ALA A 53 -0.222 -9.897 2.104 1.00 0.00 C ATOM 0 H ALA A 53 -1.237 -10.893 4.119 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.260 -12.025 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.291 -9.689 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.297 -9.789 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.115 -9.194 2.865 1.00 0.00 H new ATOM 810 N LYS A 54 2.056 -11.449 3.965 1.00 0.00 N ATOM 811 CA LYS A 54 3.477 -11.594 4.258 1.00 0.00 C ATOM 812 C LYS A 54 3.974 -12.974 3.836 1.00 0.00 C ATOM 813 O LYS A 54 5.169 -13.169 3.608 1.00 0.00 O ATOM 814 CB LYS A 54 3.717 -11.388 5.759 1.00 0.00 C ATOM 815 CG LYS A 54 4.913 -12.225 6.222 1.00 0.00 C ATOM 816 CD LYS A 54 5.238 -11.884 7.676 1.00 0.00 C ATOM 817 CE LYS A 54 6.363 -12.792 8.175 1.00 0.00 C ATOM 818 NZ LYS A 54 7.062 -13.405 7.010 1.00 0.00 N ATOM 0 H LYS A 54 1.466 -11.316 4.786 1.00 0.00 H new ATOM 0 HA LYS A 54 4.030 -10.841 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.900 -10.333 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.826 -11.672 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.686 -13.287 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.777 -12.026 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.537 -10.839 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.351 -12.011 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.069 -12.218 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.957 -13.571 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.879 -13.955 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.406 -14.033 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.389 -12.655 6.368 1.00 0.00 H new ATOM 832 N LEU A 55 3.056 -13.929 3.740 1.00 0.00 N ATOM 833 CA LEU A 55 3.420 -15.286 3.352 1.00 0.00 C ATOM 834 C LEU A 55 3.639 -15.378 1.846 1.00 0.00 C ATOM 835 O LEU A 55 4.188 -16.361 1.349 1.00 0.00 O ATOM 836 CB LEU A 55 2.316 -16.262 3.769 1.00 0.00 C ATOM 837 CG LEU A 55 2.815 -17.151 4.911 1.00 0.00 C ATOM 838 CD1 LEU A 55 2.848 -16.344 6.210 1.00 0.00 C ATOM 839 CD2 LEU A 55 1.869 -18.340 5.074 1.00 0.00 C ATOM 0 H LEU A 55 2.062 -13.791 3.924 1.00 0.00 H new ATOM 0 HA LEU A 55 4.350 -15.548 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.431 -15.710 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.021 -16.877 2.919 1.00 0.00 H new ATOM 0 HG LEU A 55 3.819 -17.510 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.203 -16.977 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.519 -15.493 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.845 -15.986 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.221 -18.976 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.867 -17.979 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.844 -18.915 4.148 1.00 0.00 H new ATOM 851 N ARG A 56 3.208 -14.350 1.124 1.00 0.00 N ATOM 852 CA ARG A 56 3.367 -14.333 -0.325 1.00 0.00 C ATOM 853 C ARG A 56 4.644 -13.603 -0.712 1.00 0.00 C ATOM 854 O ARG A 56 4.798 -13.157 -1.849 1.00 0.00 O ATOM 855 CB ARG A 56 2.164 -13.649 -0.978 1.00 0.00 C ATOM 856 CG ARG A 56 0.888 -14.411 -0.615 1.00 0.00 C ATOM 857 CD ARG A 56 -0.317 -13.740 -1.276 1.00 0.00 C ATOM 858 NE ARG A 56 0.124 -12.749 -2.252 1.00 0.00 N ATOM 859 CZ ARG A 56 -0.622 -12.449 -3.310 1.00 0.00 C ATOM 860 NH1 ARG A 56 -1.767 -13.047 -3.491 1.00 0.00 N ATOM 861 NH2 ARG A 56 -0.211 -11.555 -4.167 1.00 0.00 N ATOM 0 H ARG A 56 2.750 -13.526 1.513 1.00 0.00 H new ATOM 0 HA ARG A 56 3.430 -15.363 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.092 -12.615 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.290 -13.623 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.965 -15.447 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.759 -14.429 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.936 -14.491 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.936 -13.262 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 56 1.020 -12.279 -2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.090 -13.745 -2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.340 -12.817 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.684 -11.086 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.784 -11.325 -4.979 1.00 0.00 H new ATOM 875 N HIS A 57 5.559 -13.488 0.243 1.00 0.00 N ATOM 876 CA HIS A 57 6.827 -12.811 -0.005 1.00 0.00 C ATOM 877 C HIS A 57 7.547 -12.512 1.307 1.00 0.00 C ATOM 878 O HIS A 57 7.181 -13.032 2.361 1.00 0.00 O ATOM 879 CB HIS A 57 6.583 -11.503 -0.765 1.00 0.00 C ATOM 880 CG HIS A 57 7.181 -11.597 -2.142 1.00 0.00 C ATOM 881 ND1 HIS A 57 6.908 -12.654 -2.996 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.045 -10.777 -2.824 1.00 0.00 C ATOM 883 CE1 HIS A 57 7.596 -12.444 -4.133 1.00 0.00 C ATOM 884 NE2 HIS A 57 8.306 -11.314 -4.081 1.00 0.00 N ATOM 0 H HIS A 57 5.449 -13.852 1.190 1.00 0.00 H new ATOM 0 HA HIS A 57 7.454 -13.470 -0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.513 -11.306 -0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.026 -10.668 -0.222 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.297 -13.446 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.459 -9.855 -2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.576 -13.108 -4.984 1.00 0.00 H new ATOM 892 N GLU A 58 8.573 -11.669 1.229 1.00 0.00 N ATOM 893 CA GLU A 58 9.343 -11.300 2.412 1.00 0.00 C ATOM 894 C GLU A 58 9.140 -9.825 2.736 1.00 0.00 C ATOM 895 O GLU A 58 9.025 -9.444 3.901 1.00 0.00 O ATOM 896 CB GLU A 58 10.830 -11.570 2.171 1.00 0.00 C ATOM 897 CG GLU A 58 11.503 -11.936 3.495 1.00 0.00 C ATOM 898 CD GLU A 58 13.015 -12.009 3.310 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.494 -11.506 2.307 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.671 -12.567 4.174 1.00 0.00 O ATOM 0 H GLU A 58 8.889 -11.231 0.364 1.00 0.00 H new ATOM 0 HA GLU A 58 8.997 -11.900 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.952 -12.381 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.305 -10.689 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.257 -11.194 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.125 -12.894 3.851 1.00 0.00 H new ATOM 907 N GLN A 59 9.092 -8.999 1.696 1.00 0.00 N ATOM 908 CA GLN A 59 8.898 -7.566 1.877 1.00 0.00 C ATOM 909 C GLN A 59 7.538 -7.147 1.331 1.00 0.00 C ATOM 910 O GLN A 59 7.153 -7.539 0.230 1.00 0.00 O ATOM 911 CB GLN A 59 10.004 -6.796 1.152 1.00 0.00 C ATOM 912 CG GLN A 59 11.129 -6.473 2.137 1.00 0.00 C ATOM 913 CD GLN A 59 12.274 -5.775 1.411 1.00 0.00 C ATOM 914 OE1 GLN A 59 12.040 -4.981 0.500 1.00 0.00 O ATOM 915 NE2 GLN A 59 13.506 -6.025 1.762 1.00 0.00 N ATOM 0 H GLN A 59 9.184 -9.296 0.724 1.00 0.00 H new ATOM 0 HA GLN A 59 8.939 -7.337 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.391 -7.388 0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.603 -5.876 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.752 -5.835 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.489 -7.390 2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.698 -6.683 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.277 -5.562 1.281 1.00 0.00 H new ATOM 924 N ILE A 60 6.809 -6.355 2.111 1.00 0.00 N ATOM 925 CA ILE A 60 5.490 -5.901 1.695 1.00 0.00 C ATOM 926 C ILE A 60 5.307 -4.417 2.000 1.00 0.00 C ATOM 927 O ILE A 60 5.797 -3.916 3.012 1.00 0.00 O ATOM 928 CB ILE A 60 4.420 -6.711 2.426 1.00 0.00 C ATOM 929 CG1 ILE A 60 4.982 -8.091 2.776 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.195 -6.877 1.525 1.00 0.00 C ATOM 931 CD1 ILE A 60 5.999 -7.959 3.911 1.00 0.00 C ATOM 0 H ILE A 60 7.107 -6.018 3.026 1.00 0.00 H new ATOM 0 HA ILE A 60 5.394 -6.047 0.619 1.00 0.00 H new ATOM 0 HB ILE A 60 4.130 -6.189 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.174 -8.759 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.455 -8.535 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.434 -7.455 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.795 -5.896 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.483 -7.399 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.398 -8.943 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.813 -7.306 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.512 -7.534 4.788 1.00 0.00 H new ATOM 943 N ILE A 61 4.594 -3.722 1.119 1.00 0.00 N ATOM 944 CA ILE A 61 4.344 -2.297 1.303 1.00 0.00 C ATOM 945 C ILE A 61 2.849 -2.010 1.216 1.00 0.00 C ATOM 946 O ILE A 61 2.125 -2.669 0.469 1.00 0.00 O ATOM 947 CB ILE A 61 5.084 -1.490 0.235 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.509 -2.029 0.087 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.138 -0.019 0.653 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.193 -1.347 -1.101 1.00 0.00 C ATOM 0 H ILE A 61 4.181 -4.120 0.275 1.00 0.00 H new ATOM 0 HA ILE A 61 4.708 -2.005 2.288 1.00 0.00 H new ATOM 0 HB ILE A 61 4.559 -1.579 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.075 -1.846 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.487 -3.108 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.665 0.556 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.124 0.366 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.663 0.070 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.208 -1.731 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.631 -1.553 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.228 -0.271 -0.932 1.00 0.00 H new ATOM 962 N PHE A 62 2.391 -1.028 1.984 1.00 0.00 N ATOM 963 CA PHE A 62 0.977 -0.671 1.984 1.00 0.00 C ATOM 964 C PHE A 62 0.796 0.820 1.713 1.00 0.00 C ATOM 965 O PHE A 62 1.528 1.651 2.250 1.00 0.00 O ATOM 966 CB PHE A 62 0.351 -1.029 3.332 1.00 0.00 C ATOM 967 CG PHE A 62 0.394 -2.527 3.523 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.514 -3.125 4.111 1.00 0.00 C ATOM 969 CD2 PHE A 62 -0.686 -3.317 3.111 1.00 0.00 C ATOM 970 CE1 PHE A 62 1.556 -4.514 4.287 1.00 0.00 C ATOM 971 CE2 PHE A 62 -0.645 -4.706 3.287 1.00 0.00 C ATOM 972 CZ PHE A 62 0.476 -5.304 3.875 1.00 0.00 C ATOM 0 H PHE A 62 2.972 -0.469 2.609 1.00 0.00 H new ATOM 0 HA PHE A 62 0.480 -1.231 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.890 -0.533 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.679 -0.676 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.347 -2.515 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.551 -2.855 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.421 -4.975 4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.478 -5.316 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.508 -6.375 4.011 1.00 0.00 H new ATOM 982 N HIS A 63 -0.182 1.150 0.874 1.00 0.00 N ATOM 983 CA HIS A 63 -0.446 2.546 0.537 1.00 0.00 C ATOM 984 C HIS A 63 -1.947 2.808 0.445 1.00 0.00 C ATOM 985 O HIS A 63 -2.691 2.018 -0.136 1.00 0.00 O ATOM 986 CB HIS A 63 0.215 2.896 -0.797 1.00 0.00 C ATOM 987 CG HIS A 63 0.265 1.671 -1.668 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.457 1.571 -2.846 1.00 0.00 N ATOM 989 CD2 HIS A 63 0.946 0.486 -1.543 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.197 0.364 -3.380 1.00 0.00 C ATOM 991 NE2 HIS A 63 0.653 -0.338 -2.626 1.00 0.00 N ATOM 0 H HIS A 63 -0.799 0.478 0.419 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.029 3.171 1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.344 3.687 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.222 3.276 -0.627 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.074 2.283 -3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.608 0.232 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.624 0.006 -4.305 1.00 0.00 H new ATOM 999 N CYS A 64 -2.381 3.925 1.018 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.793 4.289 0.993 1.00 0.00 C ATOM 1001 C CYS A 64 -3.998 5.576 0.199 1.00 0.00 C ATOM 1002 O CYS A 64 -3.095 6.407 0.104 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.309 4.480 2.420 1.00 0.00 C ATOM 1004 SG CYS A 64 -5.926 5.291 2.374 1.00 0.00 S ATOM 0 H CYS A 64 -1.779 4.591 1.503 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.349 3.484 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.388 3.515 2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.605 5.081 2.995 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.762 4.554 1.704 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.189 5.734 -0.369 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.498 6.924 -1.153 1.00 0.00 C ATOM 1012 C GLN A 65 -4.715 8.126 -0.636 1.00 0.00 C ATOM 1013 O GLN A 65 -4.014 8.797 -1.394 1.00 0.00 O ATOM 1014 CB GLN A 65 -6.997 7.224 -1.085 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.319 8.428 -1.972 1.00 0.00 C ATOM 1016 CD GLN A 65 -8.105 9.465 -1.177 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -7.652 9.917 -0.125 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -9.264 9.873 -1.619 1.00 0.00 N ATOM 0 H GLN A 65 -5.951 5.059 -0.302 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.212 6.735 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.567 6.355 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.291 7.429 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.397 8.869 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.897 8.108 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.638 9.498 -2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.795 10.567 -1.093 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.842 8.394 0.660 1.00 0.00 N ATOM 1028 CA ALA A 66 -4.144 9.520 1.269 1.00 0.00 C ATOM 1029 C ALA A 66 -3.665 9.160 2.672 1.00 0.00 C ATOM 1030 O ALA A 66 -3.961 9.863 3.638 1.00 0.00 O ATOM 1031 CB ALA A 66 -5.076 10.731 1.342 1.00 0.00 C ATOM 0 H ALA A 66 -5.417 7.851 1.304 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.278 9.763 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.549 11.569 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.394 11.006 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.950 10.482 1.944 1.00 0.00 H new ATOM 1037 N GLY A 67 -2.921 8.063 2.776 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.404 7.621 4.066 1.00 0.00 C ATOM 1039 C GLY A 67 -3.467 7.745 5.153 1.00 0.00 C ATOM 1040 O GLY A 67 -3.212 8.299 6.223 1.00 0.00 O ATOM 0 H GLY A 67 -2.664 7.468 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.072 6.585 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.532 8.217 4.336 1.00 0.00 H new ATOM 1044 N LYS A 68 -4.657 7.223 4.873 1.00 0.00 N ATOM 1045 CA LYS A 68 -5.751 7.279 5.837 1.00 0.00 C ATOM 1046 C LYS A 68 -6.084 5.882 6.349 1.00 0.00 C ATOM 1047 O LYS A 68 -6.311 5.684 7.543 1.00 0.00 O ATOM 1048 CB LYS A 68 -6.991 7.895 5.185 1.00 0.00 C ATOM 1049 CG LYS A 68 -8.194 7.733 6.118 1.00 0.00 C ATOM 1050 CD LYS A 68 -8.950 9.060 6.211 1.00 0.00 C ATOM 1051 CE LYS A 68 -10.369 8.807 6.723 1.00 0.00 C ATOM 1052 NZ LYS A 68 -10.735 9.861 7.712 1.00 0.00 N ATOM 0 H LYS A 68 -4.888 6.760 3.994 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.438 7.898 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.819 8.951 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.191 7.410 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.855 6.951 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.861 7.422 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.427 9.742 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.986 9.539 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.074 8.813 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.430 7.822 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.700 9.690 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.069 9.835 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.692 10.795 7.256 1.00 0.00 H new ATOM 1066 N ARG A 69 -6.114 4.917 5.437 1.00 0.00 N ATOM 1067 CA ARG A 69 -6.422 3.539 5.803 1.00 0.00 C ATOM 1068 C ARG A 69 -5.173 2.827 6.314 1.00 0.00 C ATOM 1069 O ARG A 69 -5.255 1.949 7.172 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.980 2.791 4.591 1.00 0.00 C ATOM 1071 CG ARG A 69 -8.087 3.624 3.942 1.00 0.00 C ATOM 1072 CD ARG A 69 -9.402 3.393 4.687 1.00 0.00 C ATOM 1073 NE ARG A 69 -10.069 4.666 4.941 1.00 0.00 N ATOM 1074 CZ ARG A 69 -11.284 4.709 5.478 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -11.898 3.601 5.792 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -11.862 5.858 5.694 1.00 0.00 N ATOM 0 H ARG A 69 -5.930 5.062 4.444 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.168 3.551 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.185 2.600 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.372 1.821 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.823 4.681 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.197 3.348 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.052 2.745 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.209 2.881 5.630 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.595 5.537 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.445 2.702 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.830 3.634 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.382 6.724 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.794 5.890 6.106 1.00 0.00 H new ATOM 1090 N THR A 70 -4.018 3.211 5.780 1.00 0.00 N ATOM 1091 CA THR A 70 -2.758 2.601 6.190 1.00 0.00 C ATOM 1092 C THR A 70 -2.458 2.923 7.651 1.00 0.00 C ATOM 1093 O THR A 70 -2.039 2.054 8.414 1.00 0.00 O ATOM 1094 CB THR A 70 -1.617 3.112 5.308 1.00 0.00 C ATOM 1095 OG1 THR A 70 -2.115 3.395 4.008 1.00 0.00 O ATOM 1096 CG2 THR A 70 -0.523 2.047 5.216 1.00 0.00 C ATOM 0 H THR A 70 -3.928 3.936 5.068 1.00 0.00 H new ATOM 0 HA THR A 70 -2.846 1.520 6.078 1.00 0.00 H new ATOM 0 HB THR A 70 -1.201 4.020 5.744 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.385 3.724 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.289 2.413 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.141 1.831 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.937 1.137 4.781 1.00 0.00 H new ATOM 1104 N SER A 71 -2.677 4.177 8.032 1.00 0.00 N ATOM 1105 CA SER A 71 -2.427 4.603 9.405 1.00 0.00 C ATOM 1106 C SER A 71 -3.321 3.838 10.376 1.00 0.00 C ATOM 1107 O SER A 71 -2.993 3.691 11.554 1.00 0.00 O ATOM 1108 CB SER A 71 -2.692 6.104 9.541 1.00 0.00 C ATOM 1109 OG SER A 71 -1.571 6.725 10.157 1.00 0.00 O ATOM 0 H SER A 71 -3.024 4.911 7.415 1.00 0.00 H new ATOM 0 HA SER A 71 -1.385 4.393 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.872 6.544 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.589 6.274 10.136 1.00 0.00 H new ATOM 0 HG SER A 71 -1.737 7.687 10.244 1.00 0.00 H new ATOM 1115 N ASN A 72 -4.452 3.353 9.875 1.00 0.00 N ATOM 1116 CA ASN A 72 -5.387 2.607 10.709 1.00 0.00 C ATOM 1117 C ASN A 72 -5.010 1.128 10.754 1.00 0.00 C ATOM 1118 O ASN A 72 -5.024 0.507 11.817 1.00 0.00 O ATOM 1119 CB ASN A 72 -6.809 2.757 10.164 1.00 0.00 C ATOM 1120 CG ASN A 72 -7.732 1.743 10.832 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -7.675 0.553 10.523 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -8.583 2.144 11.736 1.00 0.00 N ATOM 0 H ASN A 72 -4.742 3.462 8.903 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.341 3.011 11.720 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.173 3.768 10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.811 2.608 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.202 1.471 12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.629 3.131 11.991 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.673 0.570 9.596 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.295 -0.838 9.520 1.00 0.00 C ATOM 1131 C ASN A 73 -2.798 -1.006 9.756 1.00 0.00 C ATOM 1132 O ASN A 73 -2.323 -2.107 10.033 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.663 -1.406 8.148 1.00 0.00 C ATOM 1134 CG ASN A 73 -4.901 -2.908 8.254 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -5.823 -3.345 8.943 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -4.120 -3.730 7.608 1.00 0.00 N ATOM 0 H ASN A 73 -4.653 1.065 8.704 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.837 -1.380 10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.558 -0.913 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.863 -1.205 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.273 -4.736 7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.357 -3.366 7.038 1.00 0.00 H new ATOM 1143 N ALA A 74 -2.060 0.093 9.646 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.616 0.054 9.851 1.00 0.00 C ATOM 1145 C ALA A 74 -0.277 -0.777 11.082 1.00 0.00 C ATOM 1146 O ALA A 74 0.710 -1.513 11.095 1.00 0.00 O ATOM 1147 CB ALA A 74 -0.074 1.473 10.028 1.00 0.00 C ATOM 0 H ALA A 74 -2.433 1.015 9.418 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.155 -0.403 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.005 1.434 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.294 2.060 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.546 1.938 10.894 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.102 -0.654 12.115 1.00 0.00 N ATOM 1154 CA ASP A 75 -0.882 -1.397 13.348 1.00 0.00 C ATOM 1155 C ASP A 75 -1.345 -2.842 13.193 1.00 0.00 C ATOM 1156 O ASP A 75 -0.839 -3.740 13.866 1.00 0.00 O ATOM 1157 CB ASP A 75 -1.646 -0.736 14.497 1.00 0.00 C ATOM 1158 CG ASP A 75 -0.869 0.469 15.014 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -0.262 1.151 14.204 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -0.893 0.694 16.213 1.00 0.00 O ATOM 0 H ASP A 75 -1.924 -0.051 12.123 1.00 0.00 H new ATOM 0 HA ASP A 75 0.185 -1.391 13.569 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.633 -0.424 14.156 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.799 -1.453 15.303 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.311 -3.060 12.305 1.00 0.00 N ATOM 1166 CA LYS A 76 -2.830 -4.402 12.079 1.00 0.00 C ATOM 1167 C LYS A 76 -1.888 -5.203 11.186 1.00 0.00 C ATOM 1168 O LYS A 76 -1.856 -6.432 11.246 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.212 -4.323 11.429 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.196 -3.674 12.403 1.00 0.00 C ATOM 1171 CD LYS A 76 -5.820 -4.750 13.293 1.00 0.00 C ATOM 1172 CE LYS A 76 -6.279 -4.122 14.609 1.00 0.00 C ATOM 1173 NZ LYS A 76 -5.088 -3.691 15.394 1.00 0.00 N ATOM 0 H LYS A 76 -2.745 -2.333 11.737 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.909 -4.906 13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.160 -3.743 10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.556 -5.321 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.682 -2.934 13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.975 -3.147 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.666 -5.212 12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.095 -5.540 13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.926 -3.268 14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.866 -4.840 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.303 -3.747 16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.284 -4.314 15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.844 -2.711 15.145 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.124 -4.500 10.357 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.186 -5.159 9.455 1.00 0.00 C ATOM 1189 C LEU A 77 1.068 -5.594 10.207 1.00 0.00 C ATOM 1190 O LEU A 77 1.426 -6.771 10.204 1.00 0.00 O ATOM 1191 CB LEU A 77 0.201 -4.210 8.319 1.00 0.00 C ATOM 1192 CG LEU A 77 -0.998 -4.012 7.391 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.717 -2.852 6.434 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -1.237 -5.290 6.584 1.00 0.00 C ATOM 0 H LEU A 77 -1.135 -3.482 10.291 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.671 -6.043 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.523 -3.251 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.043 -4.618 7.761 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.883 -3.787 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.572 -2.711 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.547 -1.940 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.169 -3.077 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.092 -5.148 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.352 -5.516 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.438 -6.118 7.264 1.00 0.00 H new ATOM 1206 N ALA A 78 1.729 -4.637 10.848 1.00 0.00 N ATOM 1207 CA ALA A 78 2.943 -4.932 11.600 1.00 0.00 C ATOM 1208 C ALA A 78 2.790 -6.236 12.380 1.00 0.00 C ATOM 1209 O ALA A 78 3.755 -6.978 12.561 1.00 0.00 O ATOM 1210 CB ALA A 78 3.247 -3.788 12.569 1.00 0.00 C ATOM 0 H ALA A 78 1.447 -3.657 10.863 1.00 0.00 H new ATOM 0 HA ALA A 78 3.767 -5.040 10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.155 -4.016 13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.388 -2.864 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.415 -3.668 13.263 1.00 0.00 H new ATOM 1216 N ALA A 79 1.573 -6.507 12.842 1.00 0.00 N ATOM 1217 CA ALA A 79 1.310 -7.723 13.603 1.00 0.00 C ATOM 1218 C ALA A 79 1.219 -8.932 12.677 1.00 0.00 C ATOM 1219 O ALA A 79 1.838 -9.966 12.929 1.00 0.00 O ATOM 1220 CB ALA A 79 0.004 -7.578 14.387 1.00 0.00 C ATOM 0 H ALA A 79 0.760 -5.907 12.704 1.00 0.00 H new ATOM 0 HA ALA A 79 2.136 -7.876 14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.184 -8.491 14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.084 -6.736 15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.819 -7.404 13.694 1.00 0.00 H new ATOM 1226 N ILE A 80 0.444 -8.798 11.606 1.00 0.00 N ATOM 1227 CA ILE A 80 0.280 -9.889 10.651 1.00 0.00 C ATOM 1228 C ILE A 80 1.515 -10.023 9.764 1.00 0.00 C ATOM 1229 O ILE A 80 1.721 -11.053 9.124 1.00 0.00 O ATOM 1230 CB ILE A 80 -0.951 -9.641 9.778 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.211 -9.696 10.647 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -1.033 -10.717 8.694 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.428 -9.288 9.814 1.00 0.00 C ATOM 0 H ILE A 80 -0.077 -7.951 11.378 1.00 0.00 H new ATOM 0 HA ILE A 80 0.149 -10.815 11.211 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.873 -8.659 9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.349 -10.703 11.042 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.104 -9.030 11.503 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.910 -10.540 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.136 -10.680 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.111 -11.699 9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.323 -9.328 10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.290 -8.273 9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.539 -9.972 8.973 1.00 0.00 H new ATOM 1245 N ALA A 81 2.331 -8.975 9.727 1.00 0.00 N ATOM 1246 CA ALA A 81 3.538 -8.990 8.910 1.00 0.00 C ATOM 1247 C ALA A 81 4.752 -9.383 9.747 1.00 0.00 C ATOM 1248 O ALA A 81 5.888 -9.311 9.279 1.00 0.00 O ATOM 1249 CB ALA A 81 3.768 -7.608 8.293 1.00 0.00 C ATOM 0 H ALA A 81 2.180 -8.111 10.249 1.00 0.00 H new ATOM 0 HA ALA A 81 3.406 -9.726 8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.672 -7.627 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.915 -7.342 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.881 -6.869 9.087 1.00 0.00 H new ATOM 1255 N ALA A 82 4.504 -9.800 10.985 1.00 0.00 N ATOM 1256 CA ALA A 82 5.587 -10.204 11.877 1.00 0.00 C ATOM 1257 C ALA A 82 6.755 -9.231 11.778 1.00 0.00 C ATOM 1258 O ALA A 82 6.704 -8.253 11.033 1.00 0.00 O ATOM 1259 CB ALA A 82 6.062 -11.614 11.518 1.00 0.00 C ATOM 0 H ALA A 82 3.571 -9.867 11.391 1.00 0.00 H new ATOM 0 HA ALA A 82 5.210 -10.197 12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.870 -11.907 12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.233 -12.314 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.422 -11.626 10.489 1.00 0.00 H new ATOM 1265 N PRO A 83 7.798 -9.483 12.519 1.00 0.00 N ATOM 1266 CA PRO A 83 9.010 -8.616 12.523 1.00 0.00 C ATOM 1267 C PRO A 83 9.689 -8.575 11.156 1.00 0.00 C ATOM 1268 O PRO A 83 10.841 -8.156 11.036 1.00 0.00 O ATOM 1269 CB PRO A 83 9.930 -9.255 13.569 1.00 0.00 C ATOM 1270 CG PRO A 83 9.079 -10.203 14.351 1.00 0.00 C ATOM 1271 CD PRO A 83 7.936 -10.621 13.434 1.00 0.00 C ATOM 0 HA PRO A 83 8.763 -7.580 12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.758 -9.779 13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.366 -8.496 14.219 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.657 -11.070 14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.697 -9.726 15.254 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.168 -11.541 12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.018 -10.800 13.993 1.00 0.00 H new ATOM 1279 N ALA A 84 8.966 -9.013 10.129 1.00 0.00 N ATOM 1280 CA ALA A 84 9.504 -9.024 8.773 1.00 0.00 C ATOM 1281 C ALA A 84 10.038 -7.645 8.398 1.00 0.00 C ATOM 1282 O ALA A 84 10.451 -6.872 9.262 1.00 0.00 O ATOM 1283 CB ALA A 84 8.412 -9.432 7.783 1.00 0.00 C ATOM 0 H ALA A 84 8.011 -9.363 10.209 1.00 0.00 H new ATOM 0 HA ALA A 84 10.322 -9.743 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.821 -9.438 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.048 -10.428 8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.588 -8.721 7.837 1.00 0.00 H new ATOM 1289 N GLU A 85 10.025 -7.345 7.103 1.00 0.00 N ATOM 1290 CA GLU A 85 10.507 -6.056 6.621 1.00 0.00 C ATOM 1291 C GLU A 85 9.410 -5.335 5.846 1.00 0.00 C ATOM 1292 O GLU A 85 9.181 -5.615 4.669 1.00 0.00 O ATOM 1293 CB GLU A 85 11.726 -6.258 5.717 1.00 0.00 C ATOM 1294 CG GLU A 85 12.916 -6.729 6.557 1.00 0.00 C ATOM 1295 CD GLU A 85 14.046 -5.708 6.479 1.00 0.00 C ATOM 1296 OE1 GLU A 85 13.857 -4.607 6.968 1.00 0.00 O ATOM 1297 OE2 GLU A 85 15.083 -6.043 5.931 1.00 0.00 O ATOM 0 H GLU A 85 9.688 -7.973 6.373 1.00 0.00 H new ATOM 0 HA GLU A 85 10.791 -5.449 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.500 -6.992 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.973 -5.326 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.609 -6.865 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.264 -7.697 6.198 1.00 0.00 H new ATOM 1304 N ILE A 86 8.731 -4.409 6.514 1.00 0.00 N ATOM 1305 CA ILE A 86 7.655 -3.658 5.878 1.00 0.00 C ATOM 1306 C ILE A 86 8.002 -2.175 5.798 1.00 0.00 C ATOM 1307 O ILE A 86 8.664 -1.632 6.683 1.00 0.00 O ATOM 1308 CB ILE A 86 6.358 -3.833 6.670 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.184 -5.306 7.045 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.173 -3.384 5.816 1.00 0.00 C ATOM 1311 CD1 ILE A 86 6.760 -5.550 8.442 1.00 0.00 C ATOM 0 H ILE A 86 8.905 -4.162 7.488 1.00 0.00 H new ATOM 0 HA ILE A 86 7.523 -4.043 4.867 1.00 0.00 H new ATOM 0 HB ILE A 86 6.403 -3.229 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.128 -5.575 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.689 -5.940 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.249 -3.509 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.295 -2.335 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.128 -3.988 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.636 -6.600 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.820 -5.297 8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.235 -4.927 9.166 1.00 0.00 H new ATOM 1323 N PHE A 87 7.544 -1.525 4.734 1.00 0.00 N ATOM 1324 CA PHE A 87 7.803 -0.102 4.545 1.00 0.00 C ATOM 1325 C PHE A 87 6.498 0.684 4.613 1.00 0.00 C ATOM 1326 O PHE A 87 5.423 0.103 4.764 1.00 0.00 O ATOM 1327 CB PHE A 87 8.471 0.133 3.189 1.00 0.00 C ATOM 1328 CG PHE A 87 9.796 -0.587 3.149 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.817 -0.221 4.034 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.004 -1.621 2.229 1.00 0.00 C ATOM 1331 CE1 PHE A 87 12.047 -0.887 3.997 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.234 -2.288 2.192 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.256 -1.921 3.076 1.00 0.00 C ATOM 0 H PHE A 87 6.994 -1.958 3.992 1.00 0.00 H new ATOM 0 HA PHE A 87 8.468 0.239 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.826 -0.226 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.620 1.200 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.655 0.575 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.215 -1.904 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.835 -0.604 4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.395 -3.086 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.205 -2.435 3.048 1.00 0.00 H new ATOM 1343 N LEU A 88 6.594 2.005 4.499 1.00 0.00 N ATOM 1344 CA LEU A 88 5.403 2.847 4.549 1.00 0.00 C ATOM 1345 C LEU A 88 5.449 3.914 3.461 1.00 0.00 C ATOM 1346 O LEU A 88 6.442 4.628 3.318 1.00 0.00 O ATOM 1347 CB LEU A 88 5.289 3.517 5.923 1.00 0.00 C ATOM 1348 CG LEU A 88 3.940 3.171 6.552 1.00 0.00 C ATOM 1349 CD1 LEU A 88 3.865 3.768 7.959 1.00 0.00 C ATOM 1350 CD2 LEU A 88 2.810 3.745 5.690 1.00 0.00 C ATOM 0 H LEU A 88 7.471 2.510 4.373 1.00 0.00 H new ATOM 0 HA LEU A 88 4.531 2.215 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.100 3.183 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.388 4.598 5.821 1.00 0.00 H new ATOM 0 HG LEU A 88 3.834 2.088 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.903 3.521 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.667 3.357 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.971 4.851 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.848 3.498 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.914 4.828 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.863 3.318 4.689 1.00 0.00 H new ATOM 1362 N LEU A 89 4.368 4.013 2.696 1.00 0.00 N ATOM 1363 CA LEU A 89 4.291 4.995 1.621 1.00 0.00 C ATOM 1364 C LEU A 89 3.764 6.327 2.144 1.00 0.00 C ATOM 1365 O LEU A 89 2.561 6.494 2.342 1.00 0.00 O ATOM 1366 CB LEU A 89 3.370 4.481 0.513 1.00 0.00 C ATOM 1367 CG LEU A 89 3.785 5.095 -0.824 1.00 0.00 C ATOM 1368 CD1 LEU A 89 3.931 6.609 -0.669 1.00 0.00 C ATOM 1369 CD2 LEU A 89 5.122 4.496 -1.265 1.00 0.00 C ATOM 0 H LEU A 89 3.538 3.429 2.799 1.00 0.00 H new ATOM 0 HA LEU A 89 5.294 5.147 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.423 3.394 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.335 4.739 0.738 1.00 0.00 H new ATOM 0 HG LEU A 89 3.024 4.880 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.227 7.046 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.979 7.036 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.692 6.826 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.420 4.933 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.882 4.711 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.018 3.417 -1.377 1.00 0.00 H new ATOM 1381 N GLU A 90 4.671 7.273 2.364 1.00 0.00 N ATOM 1382 CA GLU A 90 4.281 8.586 2.863 1.00 0.00 C ATOM 1383 C GLU A 90 3.213 9.201 1.964 1.00 0.00 C ATOM 1384 O GLU A 90 3.430 9.391 0.767 1.00 0.00 O ATOM 1385 CB GLU A 90 5.500 9.509 2.918 1.00 0.00 C ATOM 1386 CG GLU A 90 5.340 10.498 4.076 1.00 0.00 C ATOM 1387 CD GLU A 90 6.652 11.237 4.316 1.00 0.00 C ATOM 1388 OE1 GLU A 90 7.692 10.664 4.036 1.00 0.00 O ATOM 1389 OE2 GLU A 90 6.598 12.365 4.777 1.00 0.00 O ATOM 0 H GLU A 90 5.672 7.157 2.206 1.00 0.00 H new ATOM 0 HA GLU A 90 3.873 8.468 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.409 8.922 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.604 10.049 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.548 11.211 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.042 9.967 4.980 1.00 0.00 H new ATOM 1396 N ASP A 91 2.059 9.507 2.548 1.00 0.00 N ATOM 1397 CA ASP A 91 0.961 10.098 1.791 1.00 0.00 C ATOM 1398 C ASP A 91 0.173 9.017 1.057 1.00 0.00 C ATOM 1399 O ASP A 91 -1.054 8.962 1.147 1.00 0.00 O ATOM 1400 CB ASP A 91 1.506 11.110 0.780 1.00 0.00 C ATOM 1401 CG ASP A 91 0.629 12.357 0.770 1.00 0.00 C ATOM 1402 OD1 ASP A 91 0.251 12.801 1.842 1.00 0.00 O ATOM 1403 OD2 ASP A 91 0.346 12.849 -0.310 1.00 0.00 O ATOM 0 H ASP A 91 1.860 9.357 3.537 1.00 0.00 H new ATOM 0 HA ASP A 91 0.296 10.606 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.531 11.378 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.532 10.665 -0.215 1.00 0.00 H new ATOM 1408 N GLY A 92 0.884 8.160 0.332 1.00 0.00 N ATOM 1409 CA GLY A 92 0.239 7.084 -0.412 1.00 0.00 C ATOM 1410 C GLY A 92 0.547 7.192 -1.901 1.00 0.00 C ATOM 1411 O GLY A 92 1.695 7.397 -2.294 1.00 0.00 O ATOM 0 H GLY A 92 1.900 8.189 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.581 6.120 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.839 7.124 -0.256 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.486 7.051 -2.725 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.314 7.133 -4.170 1.00 0.00 C ATOM 1417 C ILE A 93 -0.165 8.586 -4.611 1.00 0.00 C ATOM 1418 O ILE A 93 0.514 8.880 -5.594 1.00 0.00 O ATOM 1419 CB ILE A 93 -1.517 6.504 -4.874 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.400 6.727 -6.384 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.805 7.151 -4.362 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.613 6.115 -7.086 1.00 0.00 C ATOM 0 H ILE A 93 -1.444 6.881 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 93 0.591 6.589 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.540 5.434 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.341 7.793 -6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.482 6.274 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.662 6.702 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.890 6.992 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.782 8.221 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.530 6.274 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.652 5.046 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.523 6.589 -6.719 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.805 9.491 -3.877 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.734 10.911 -4.203 1.00 0.00 C ATOM 1436 C ASP A 94 0.711 11.334 -4.440 1.00 0.00 C ATOM 1437 O ASP A 94 0.982 12.242 -5.226 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.330 11.740 -3.065 1.00 0.00 C ATOM 1439 CG ASP A 94 -1.434 13.201 -3.487 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -0.664 13.607 -4.341 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -2.283 13.893 -2.948 1.00 0.00 O ATOM 0 H ASP A 94 -1.374 9.269 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.306 11.084 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.316 11.357 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.707 11.653 -2.175 1.00 0.00 H new ATOM 1446 N GLY A 95 1.636 10.670 -3.755 1.00 0.00 N ATOM 1447 CA GLY A 95 3.053 10.985 -3.899 1.00 0.00 C ATOM 1448 C GLY A 95 3.604 10.410 -5.199 1.00 0.00 C ATOM 1449 O GLY A 95 4.175 11.132 -6.016 1.00 0.00 O ATOM 0 H GLY A 95 1.433 9.916 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.193 12.066 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.608 10.581 -3.053 1.00 0.00 H new ATOM 1453 N TRP A 96 3.426 9.107 -5.384 1.00 0.00 N ATOM 1454 CA TRP A 96 3.905 8.443 -6.589 1.00 0.00 C ATOM 1455 C TRP A 96 3.512 9.238 -7.830 1.00 0.00 C ATOM 1456 O TRP A 96 4.231 9.248 -8.828 1.00 0.00 O ATOM 1457 CB TRP A 96 3.313 7.035 -6.674 1.00 0.00 C ATOM 1458 CG TRP A 96 4.201 6.168 -7.506 1.00 0.00 C ATOM 1459 CD1 TRP A 96 5.441 5.758 -7.153 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.940 5.597 -8.820 1.00 0.00 C ATOM 1461 NE1 TRP A 96 5.957 4.972 -8.167 1.00 0.00 N ATOM 1462 CE2 TRP A 96 5.069 4.843 -9.217 1.00 0.00 C ATOM 1463 CE3 TRP A 96 2.843 5.660 -9.698 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 5.109 4.174 -10.441 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 2.879 4.988 -10.931 1.00 0.00 C ATOM 1466 CH2 TRP A 96 4.010 4.247 -11.302 1.00 0.00 C ATOM 0 H TRP A 96 2.956 8.493 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 96 4.992 8.380 -6.542 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.208 6.613 -5.675 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.315 7.075 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 96 5.945 6.004 -6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 96 6.881 4.540 -8.143 1.00 0.00 H new ATOM 0 HE3 TRP A 96 1.967 6.229 -9.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.983 3.604 -10.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.031 5.042 -11.597 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.032 3.733 -12.252 1.00 0.00 H new ATOM 1477 N LYS A 97 2.365 9.905 -7.758 1.00 0.00 N ATOM 1478 CA LYS A 97 1.884 10.702 -8.881 1.00 0.00 C ATOM 1479 C LYS A 97 2.695 11.987 -9.013 1.00 0.00 C ATOM 1480 O LYS A 97 3.222 12.293 -10.083 1.00 0.00 O ATOM 1481 CB LYS A 97 0.407 11.046 -8.682 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.181 11.553 -10.000 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.310 12.543 -9.707 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.411 11.841 -8.911 1.00 0.00 C ATOM 1485 NZ LYS A 97 -3.604 12.729 -8.826 1.00 0.00 N ATOM 0 H LYS A 97 1.755 9.910 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 97 2.001 10.118 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.140 10.166 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.301 11.806 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.595 12.035 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.560 10.716 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.925 13.393 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.715 12.935 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.678 10.900 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.053 11.598 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.354 12.253 -8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.343 13.616 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.949 12.939 -9.784 1.00 0.00 H new ATOM 1499 N ARG A 98 2.791 12.736 -7.920 1.00 0.00 N ATOM 1500 CA ARG A 98 3.541 13.986 -7.925 1.00 0.00 C ATOM 1501 C ARG A 98 5.028 13.717 -8.134 1.00 0.00 C ATOM 1502 O ARG A 98 5.747 14.548 -8.690 1.00 0.00 O ATOM 1503 CB ARG A 98 3.336 14.722 -6.599 1.00 0.00 C ATOM 1504 CG ARG A 98 4.423 15.786 -6.433 1.00 0.00 C ATOM 1505 CD ARG A 98 4.103 16.656 -5.216 1.00 0.00 C ATOM 1506 NE ARG A 98 5.322 16.944 -4.467 1.00 0.00 N ATOM 1507 CZ ARG A 98 5.313 17.021 -3.139 1.00 0.00 C ATOM 1508 NH1 ARG A 98 4.200 16.843 -2.482 1.00 0.00 N ATOM 1509 NH2 ARG A 98 6.418 17.276 -2.493 1.00 0.00 N ATOM 0 H ARG A 98 2.362 12.501 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 98 3.176 14.605 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.350 15.187 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.373 14.016 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.396 15.311 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.483 16.403 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.637 17.587 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.385 16.146 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 98 6.197 17.089 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.336 16.645 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.194 16.902 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.288 17.416 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.411 17.335 -1.475 1.00 0.00 H new ATOM 1523 N ALA A 99 5.482 12.553 -7.682 1.00 0.00 N ATOM 1524 CA ALA A 99 6.886 12.185 -7.822 1.00 0.00 C ATOM 1525 C ALA A 99 7.340 12.328 -9.271 1.00 0.00 C ATOM 1526 O ALA A 99 8.535 12.284 -9.563 1.00 0.00 O ATOM 1527 CB ALA A 99 7.097 10.742 -7.361 1.00 0.00 C ATOM 0 H ALA A 99 4.903 11.853 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 99 7.479 12.856 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.148 10.476 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.804 10.648 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.489 10.073 -7.970 1.00 0.00 H new ATOM 1533 N GLY A 100 6.381 12.499 -10.174 1.00 0.00 N ATOM 1534 CA GLY A 100 6.699 12.646 -11.589 1.00 0.00 C ATOM 1535 C GLY A 100 6.455 11.341 -12.339 1.00 0.00 C ATOM 1536 O GLY A 100 7.045 11.099 -13.392 1.00 0.00 O ATOM 0 H GLY A 100 5.386 12.539 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.089 13.439 -12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.741 12.946 -11.703 1.00 0.00 H new ATOM 1540 N LEU A 101 5.580 10.505 -11.789 1.00 0.00 N ATOM 1541 CA LEU A 101 5.260 9.227 -12.413 1.00 0.00 C ATOM 1542 C LEU A 101 3.788 9.196 -12.822 1.00 0.00 C ATOM 1543 O LEU A 101 2.922 9.652 -12.075 1.00 0.00 O ATOM 1544 CB LEU A 101 5.543 8.083 -11.435 1.00 0.00 C ATOM 1545 CG LEU A 101 6.957 8.231 -10.869 1.00 0.00 C ATOM 1546 CD1 LEU A 101 7.098 7.362 -9.618 1.00 0.00 C ATOM 1547 CD2 LEU A 101 7.977 7.782 -11.918 1.00 0.00 C ATOM 0 H LEU A 101 5.083 10.688 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 101 5.881 9.105 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.813 8.094 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.442 7.124 -11.942 1.00 0.00 H new ATOM 0 HG LEU A 101 7.137 9.274 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.105 7.467 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.372 7.680 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.918 6.319 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.984 7.888 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.797 6.739 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.877 8.400 -12.810 1.00 0.00 H new ATOM 1559 N PRO A 102 3.489 8.677 -13.985 1.00 0.00 N ATOM 1560 CA PRO A 102 2.088 8.598 -14.487 1.00 0.00 C ATOM 1561 C PRO A 102 1.278 7.513 -13.780 1.00 0.00 C ATOM 1562 O PRO A 102 1.840 6.609 -13.162 1.00 0.00 O ATOM 1563 CB PRO A 102 2.255 8.276 -15.972 1.00 0.00 C ATOM 1564 CG PRO A 102 3.569 7.579 -16.083 1.00 0.00 C ATOM 1565 CD PRO A 102 4.448 8.110 -14.949 1.00 0.00 C ATOM 0 HA PRO A 102 1.536 9.520 -14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.443 7.643 -16.330 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.240 9.184 -16.575 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.442 6.500 -16.001 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.029 7.773 -17.052 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.042 7.314 -14.499 1.00 0.00 H new ATOM 0 HD3 PRO A 102 5.147 8.866 -15.307 1.00 0.00 H new ATOM 1573 N VAL A 103 -0.045 7.613 -13.878 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.929 6.641 -13.250 1.00 0.00 C ATOM 1575 C VAL A 103 -1.648 5.818 -14.314 1.00 0.00 C ATOM 1576 O VAL A 103 -1.551 6.111 -15.506 1.00 0.00 O ATOM 1577 CB VAL A 103 -1.957 7.359 -12.378 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -1.376 7.589 -10.981 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -2.311 8.706 -13.011 1.00 0.00 C ATOM 0 H VAL A 103 -0.526 8.356 -14.385 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.330 5.975 -12.629 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.855 6.746 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.111 8.101 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.125 6.629 -10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.477 8.200 -11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.045 9.219 -12.389 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.412 9.318 -13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.729 8.543 -14.005 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.366 4.785 -13.882 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.087 3.934 -14.819 1.00 0.00 C ATOM 1591 C ALA A 104 -4.516 3.700 -14.344 1.00 0.00 C ATOM 1592 O ALA A 104 -4.740 3.174 -13.255 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.368 2.591 -14.962 1.00 0.00 C ATOM 0 H ALA A 104 -2.463 4.520 -12.902 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.118 4.436 -15.786 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.913 1.960 -15.664 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.357 2.757 -15.333 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.322 2.098 -13.991 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.479 4.087 -15.173 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.883 3.906 -14.829 1.00 0.00 C ATOM 1601 C VAL A 105 -7.418 2.632 -15.465 1.00 0.00 C ATOM 1602 O VAL A 105 -7.036 2.278 -16.581 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.703 5.097 -15.321 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.112 5.022 -14.730 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -7.030 6.397 -14.877 1.00 0.00 C ATOM 0 H VAL A 105 -5.315 4.524 -16.080 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.966 3.832 -13.745 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.764 5.074 -16.409 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.699 5.871 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.590 4.095 -15.046 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.052 5.046 -13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.615 7.248 -15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.969 6.422 -13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.026 6.449 -15.298 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.303 1.945 -14.754 1.00 0.00 N ATOM 1616 CA ASN A 106 -8.875 0.713 -15.274 1.00 0.00 C ATOM 1617 C ASN A 106 -9.840 1.018 -16.414 1.00 0.00 C ATOM 1618 O ASN A 106 -10.930 1.547 -16.194 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.614 -0.031 -14.161 1.00 0.00 C ATOM 1620 CG ASN A 106 -9.289 -1.518 -14.225 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -8.153 -1.918 -13.970 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -10.224 -2.367 -14.553 1.00 0.00 N ATOM 0 H ASN A 106 -8.636 2.216 -13.829 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.067 0.086 -15.651 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.326 0.371 -13.190 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.689 0.120 -14.263 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.014 -3.364 -14.598 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.165 -2.033 -14.764 1.00 0.00 H new ATOM 1629 N LYS A 107 -9.432 0.682 -17.632 1.00 0.00 N ATOM 1630 CA LYS A 107 -10.268 0.924 -18.802 1.00 0.00 C ATOM 1631 C LYS A 107 -11.555 0.110 -18.718 1.00 0.00 C ATOM 1632 O LYS A 107 -12.578 0.610 -19.155 1.00 0.00 O ATOM 1633 CB LYS A 107 -9.506 0.551 -20.076 1.00 0.00 C ATOM 1634 CG LYS A 107 -10.107 1.301 -21.267 1.00 0.00 C ATOM 1635 CD LYS A 107 -9.228 1.090 -22.503 1.00 0.00 C ATOM 1636 CE LYS A 107 -8.839 2.448 -23.093 1.00 0.00 C ATOM 1637 NZ LYS A 107 -7.738 2.263 -24.081 1.00 0.00 N ATOM 1638 OXT LYS A 107 -11.498 -1.001 -18.217 1.00 0.00 O ATOM 0 H LYS A 107 -8.533 0.244 -17.835 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.523 1.983 -18.830 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.451 0.803 -19.969 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.561 -0.525 -20.244 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.118 0.944 -21.462 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.183 2.364 -21.039 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.333 0.529 -22.234 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.763 0.499 -23.246 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.702 2.908 -23.575 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.520 3.124 -22.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.473 3.185 -24.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.914 1.842 -23.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.058 1.633 -24.844 1.00 0.00 H new