USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 79 GLN : amide:sc= -0.979 K(o=-1.5,f=-0.53) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -140:sc= -0.495 (180deg=-0.0838) USER MOD Set 2.1: A 41 TYR OH : rot -114:sc= 0.51 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.172 X(o=0.34,f=0.12) USER MOD Set 3.1: A 20 THR OG1 : rot 150:sc= -3.55! USER MOD Set 3.2: A 23 SER OG : rot 130:sc= -0.667 USER MOD Set 4.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 25 THR OG1 : rot 79:sc= 0.00187 USER MOD Single : A 9 SER OG : rot 180:sc= -0.219 USER MOD Single : A 10 THR OG1 : rot 124:sc= 1.28 USER MOD Single : A 14 MET CE :methyl -174:sc= -0.401 (180deg=-0.481) USER MOD Single : A 15 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-4.1!) USER MOD Single : A 16 GLN : amide:sc= -12.9! C(o=-13!,f=-9.3!) USER MOD Single : A 21 MET CE :methyl 173:sc= -1.35 (180deg=-1.82) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.41) USER MOD Single : A 35 ASN : amide:sc= 0.395 K(o=0.39,f=-0.14) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0657) USER MOD Single : A 50 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.94) USER MOD Single : A 51 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.4) USER MOD Single : A 54 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.3) USER MOD Single : A 55 SER OG : rot 34:sc= -0.277 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -121:sc= -0.354 (180deg=-2.08!) USER MOD Single : A 60 SER OG : rot -108:sc= -0.0468 USER MOD Single : A 61 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.8!) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.547 USER MOD Single : A 64 THR OG1 : rot 48:sc= 0.0215 USER MOD Single : A 74 MET CE :methyl -144:sc= 0 (180deg=-0.0368) USER MOD Single : A 76 TYR OH : rot -54:sc= 0.444 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.389 USER MOD Single : A 88 TYR OH : rot 165:sc= -0.181 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 155:sc= -0.634 USER MOD Single : A 95 MET CE :methyl 154:sc= -1.27 (180deg=-2.05!) USER MOD Single : A 96 CYS SG : rot 13:sc= 0.581 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -155:sc= 0.44 USER MOD Single : A 101 THR OG1 : rot 20:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.759 -18.313 -5.028 1.00 0.00 N ATOM 60 CA GLY A 7 -1.168 -17.051 -5.435 1.00 0.00 C ATOM 61 C GLY A 7 0.241 -16.873 -4.906 1.00 0.00 C ATOM 62 O GLY A 7 0.770 -17.723 -4.189 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.154 -16.994 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.792 -16.230 -5.081 1.00 0.00 H new ATOM 66 N PRO A 8 0.873 -15.746 -5.264 1.00 0.00 N ATOM 67 CA PRO A 8 2.239 -15.433 -4.833 1.00 0.00 C ATOM 68 C PRO A 8 2.320 -15.122 -3.342 1.00 0.00 C ATOM 69 O PRO A 8 1.297 -14.998 -2.668 1.00 0.00 O ATOM 70 CB PRO A 8 2.597 -14.195 -5.658 1.00 0.00 C ATOM 71 CG PRO A 8 1.287 -13.560 -5.976 1.00 0.00 C ATOM 72 CD PRO A 8 0.304 -14.689 -6.116 1.00 0.00 C ATOM 0 HA PRO A 8 2.916 -16.273 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.240 -13.517 -5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.136 -14.466 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.984 -12.874 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.348 -12.979 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.692 -14.398 -5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.211 -15.015 -7.152 1.00 0.00 H new ATOM 80 N SER A 9 3.541 -14.996 -2.833 1.00 0.00 N ATOM 81 CA SER A 9 3.755 -14.702 -1.421 1.00 0.00 C ATOM 82 C SER A 9 3.255 -13.302 -1.076 1.00 0.00 C ATOM 83 O SER A 9 2.767 -12.573 -1.940 1.00 0.00 O ATOM 84 CB SER A 9 5.239 -14.827 -1.071 1.00 0.00 C ATOM 85 OG SER A 9 5.455 -14.618 0.314 1.00 0.00 O ATOM 0 H SER A 9 4.398 -15.093 -3.378 1.00 0.00 H new ATOM 0 HA SER A 9 3.189 -15.426 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.601 -15.816 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.814 -14.101 -1.646 1.00 0.00 H new ATOM 0 HG SER A 9 6.411 -14.705 0.513 1.00 0.00 H new ATOM 91 N THR A 10 3.381 -12.932 0.195 1.00 0.00 N ATOM 92 CA THR A 10 2.942 -11.621 0.656 1.00 0.00 C ATOM 93 C THR A 10 3.857 -11.090 1.754 1.00 0.00 C ATOM 94 O THR A 10 4.320 -11.845 2.609 1.00 0.00 O ATOM 95 CB THR A 10 1.496 -11.667 1.186 1.00 0.00 C ATOM 96 OG1 THR A 10 0.979 -10.338 1.312 1.00 0.00 O ATOM 97 CG2 THR A 10 1.435 -12.371 2.533 1.00 0.00 C ATOM 0 H THR A 10 3.784 -13.522 0.923 1.00 0.00 H new ATOM 0 HA THR A 10 2.985 -10.953 -0.204 1.00 0.00 H new ATOM 0 HB THR A 10 0.889 -12.227 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.153 -10.258 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.404 -12.391 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.802 -13.392 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.055 -11.835 3.252 1.00 0.00 H new ATOM 105 N VAL A 11 4.112 -9.786 1.725 1.00 0.00 N ATOM 106 CA VAL A 11 4.971 -9.153 2.720 1.00 0.00 C ATOM 107 C VAL A 11 4.419 -9.350 4.127 1.00 0.00 C ATOM 108 O VAL A 11 3.239 -9.123 4.396 1.00 0.00 O ATOM 109 CB VAL A 11 5.128 -7.645 2.448 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.634 -6.929 3.691 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.060 -7.411 1.270 1.00 0.00 C ATOM 0 H VAL A 11 3.737 -9.147 1.024 1.00 0.00 H new ATOM 0 HA VAL A 11 5.948 -9.631 2.646 1.00 0.00 H new ATOM 0 HB VAL A 11 4.151 -7.235 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.739 -5.865 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.924 -7.069 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.602 -7.339 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.159 -6.340 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.040 -7.835 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.650 -7.890 0.381 1.00 0.00 H new ATOM 121 N PRO A 12 5.291 -9.784 5.049 1.00 0.00 N ATOM 122 CA PRO A 12 4.914 -10.020 6.446 1.00 0.00 C ATOM 123 C PRO A 12 4.617 -8.725 7.194 1.00 0.00 C ATOM 124 O PRO A 12 3.648 -8.641 7.949 1.00 0.00 O ATOM 125 CB PRO A 12 6.149 -10.707 7.035 1.00 0.00 C ATOM 126 CG PRO A 12 7.281 -10.249 6.181 1.00 0.00 C ATOM 127 CD PRO A 12 6.713 -10.076 4.800 1.00 0.00 C ATOM 0 HA PRO A 12 4.001 -10.610 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.300 -10.425 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.048 -11.792 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.696 -9.312 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.091 -10.979 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.202 -9.263 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.839 -10.976 4.198 1.00 0.00 H new ATOM 135 N ILE A 13 5.456 -7.718 6.979 1.00 0.00 N ATOM 136 CA ILE A 13 5.282 -6.426 7.632 1.00 0.00 C ATOM 137 C ILE A 13 5.906 -5.305 6.808 1.00 0.00 C ATOM 138 O ILE A 13 6.636 -5.557 5.850 1.00 0.00 O ATOM 139 CB ILE A 13 5.903 -6.419 9.041 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.413 -5.205 9.832 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.422 -6.421 8.950 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.396 -5.425 11.328 1.00 0.00 C ATOM 0 H ILE A 13 6.263 -7.771 6.358 1.00 0.00 H new ATOM 0 HA ILE A 13 4.208 -6.257 7.716 1.00 0.00 H new ATOM 0 HB ILE A 13 5.589 -7.321 9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.053 -4.352 9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.408 -4.947 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.847 -6.416 9.954 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.754 -7.314 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.755 -5.534 8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.038 -4.523 11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.734 -6.257 11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.404 -5.653 11.674 1.00 0.00 H new ATOM 154 N MET A 14 5.614 -4.065 7.188 1.00 0.00 N ATOM 155 CA MET A 14 6.150 -2.905 6.486 1.00 0.00 C ATOM 156 C MET A 14 6.937 -2.009 7.437 1.00 0.00 C ATOM 157 O MET A 14 7.118 -2.340 8.610 1.00 0.00 O ATOM 158 CB MET A 14 5.017 -2.107 5.837 1.00 0.00 C ATOM 159 CG MET A 14 4.108 -2.949 4.956 1.00 0.00 C ATOM 160 SD MET A 14 2.670 -2.035 4.367 1.00 0.00 S ATOM 161 CE MET A 14 3.411 -1.033 3.080 1.00 0.00 C ATOM 0 H MET A 14 5.010 -3.838 7.978 1.00 0.00 H new ATOM 0 HA MET A 14 6.826 -3.263 5.709 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.419 -1.639 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.446 -1.303 5.239 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.676 -3.316 4.101 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.774 -3.823 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.670 -0.334 2.691 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.254 -0.477 3.491 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.760 -1.677 2.273 1.00 0.00 H new ATOM 171 N HIS A 15 7.404 -0.875 6.925 1.00 0.00 N ATOM 172 CA HIS A 15 8.173 0.068 7.730 1.00 0.00 C ATOM 173 C HIS A 15 8.053 1.483 7.171 1.00 0.00 C ATOM 174 O HIS A 15 8.302 1.715 5.989 1.00 0.00 O ATOM 175 CB HIS A 15 9.642 -0.351 7.780 1.00 0.00 C ATOM 176 CG HIS A 15 9.841 -1.812 8.042 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.581 -2.399 9.263 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.274 -2.806 7.233 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.848 -3.691 9.193 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.270 -3.964 7.971 1.00 0.00 N ATOM 0 H HIS A 15 7.264 -0.587 5.957 1.00 0.00 H new ATOM 0 HA HIS A 15 7.767 0.060 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.117 -0.092 6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.148 0.221 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.568 -2.707 6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.740 -4.403 9.998 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.548 -4.885 7.631 1.00 0.00 H new ATOM 189 N GLN A 16 7.670 2.422 8.029 1.00 0.00 N ATOM 190 CA GLN A 16 7.516 3.813 7.620 1.00 0.00 C ATOM 191 C GLN A 16 8.860 4.534 7.626 1.00 0.00 C ATOM 192 O GLN A 16 9.504 4.661 8.668 1.00 0.00 O ATOM 193 CB GLN A 16 6.533 4.533 8.545 1.00 0.00 C ATOM 194 CG GLN A 16 6.476 6.036 8.320 1.00 0.00 C ATOM 195 CD GLN A 16 5.420 6.435 7.309 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.391 5.771 7.174 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.668 7.524 6.592 1.00 0.00 N ATOM 0 H GLN A 16 7.461 2.245 9.012 1.00 0.00 H new ATOM 0 HA GLN A 16 7.122 3.825 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.537 4.114 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.813 4.339 9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.272 6.534 9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.450 6.386 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.534 8.044 6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.993 7.841 5.896 1.00 0.00 H new ATOM 206 N VAL A 17 9.279 5.005 6.456 1.00 0.00 N ATOM 207 CA VAL A 17 10.546 5.715 6.326 1.00 0.00 C ATOM 208 C VAL A 17 10.355 7.217 6.502 1.00 0.00 C ATOM 209 O VAL A 17 11.044 7.851 7.302 1.00 0.00 O ATOM 210 CB VAL A 17 11.201 5.448 4.958 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.571 6.105 4.885 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.302 3.953 4.698 1.00 0.00 C ATOM 0 H VAL A 17 8.759 4.908 5.584 1.00 0.00 H new ATOM 0 HA VAL A 17 11.201 5.341 7.113 1.00 0.00 H new ATOM 0 HB VAL A 17 10.573 5.886 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.019 5.906 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.466 7.181 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.211 5.700 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.767 3.783 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.907 3.488 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.304 3.514 4.704 1.00 0.00 H new ATOM 222 N SER A 18 9.416 7.781 5.750 1.00 0.00 N ATOM 223 CA SER A 18 9.136 9.210 5.820 1.00 0.00 C ATOM 224 C SER A 18 7.668 9.492 5.515 1.00 0.00 C ATOM 225 O SER A 18 7.009 8.722 4.818 1.00 0.00 O ATOM 226 CB SER A 18 10.029 9.975 4.841 1.00 0.00 C ATOM 227 OG SER A 18 10.270 9.214 3.670 1.00 0.00 O ATOM 0 H SER A 18 8.836 7.270 5.085 1.00 0.00 H new ATOM 0 HA SER A 18 9.349 9.547 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.555 10.920 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.976 10.218 5.322 1.00 0.00 H new ATOM 0 HG SER A 18 10.841 9.725 3.060 1.00 0.00 H new ATOM 233 N ALA A 19 7.163 10.603 6.042 1.00 0.00 N ATOM 234 CA ALA A 19 5.775 10.989 5.824 1.00 0.00 C ATOM 235 C ALA A 19 5.626 12.506 5.788 1.00 0.00 C ATOM 236 O ALA A 19 6.300 13.225 6.527 1.00 0.00 O ATOM 237 CB ALA A 19 4.886 10.395 6.907 1.00 0.00 C ATOM 0 H ALA A 19 7.695 11.251 6.623 1.00 0.00 H new ATOM 0 HA ALA A 19 5.462 10.597 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.852 10.691 6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.961 9.308 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.208 10.760 7.882 1.00 0.00 H new ATOM 243 N THR A 20 4.738 12.989 4.924 1.00 0.00 N ATOM 244 CA THR A 20 4.503 14.421 4.791 1.00 0.00 C ATOM 245 C THR A 20 3.154 14.814 5.383 1.00 0.00 C ATOM 246 O THR A 20 2.459 13.986 5.970 1.00 0.00 O ATOM 247 CB THR A 20 4.551 14.864 3.316 1.00 0.00 C ATOM 248 OG1 THR A 20 3.397 14.380 2.621 1.00 0.00 O ATOM 249 CG2 THR A 20 5.811 14.347 2.638 1.00 0.00 C ATOM 0 H THR A 20 4.170 12.409 4.306 1.00 0.00 H new ATOM 0 HA THR A 20 5.299 14.924 5.340 1.00 0.00 H new ATOM 0 HB THR A 20 4.561 15.954 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.166 15.000 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.824 14.672 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.688 14.740 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.825 13.258 2.678 1.00 0.00 H new ATOM 257 N MET A 21 2.789 16.082 5.223 1.00 0.00 N ATOM 258 CA MET A 21 1.521 16.583 5.741 1.00 0.00 C ATOM 259 C MET A 21 0.368 16.196 4.821 1.00 0.00 C ATOM 260 O MET A 21 -0.765 16.022 5.271 1.00 0.00 O ATOM 261 CB MET A 21 1.576 18.104 5.898 1.00 0.00 C ATOM 262 CG MET A 21 2.116 18.557 7.244 1.00 0.00 C ATOM 263 SD MET A 21 1.849 20.315 7.544 1.00 0.00 S ATOM 264 CE MET A 21 0.071 20.356 7.754 1.00 0.00 C ATOM 0 H MET A 21 3.353 16.781 4.739 1.00 0.00 H new ATOM 0 HA MET A 21 1.351 16.130 6.718 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.200 18.520 5.107 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.574 18.511 5.762 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.637 17.981 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.183 18.342 7.294 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.235 21.353 8.069 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.413 20.110 6.809 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.223 19.630 8.512 1.00 0.00 H new ATOM 274 N ARG A 22 0.663 16.063 3.532 1.00 0.00 N ATOM 275 CA ARG A 22 -0.351 15.698 2.550 1.00 0.00 C ATOM 276 C ARG A 22 0.042 14.422 1.812 1.00 0.00 C ATOM 277 O ARG A 22 -0.497 14.117 0.748 1.00 0.00 O ATOM 278 CB ARG A 22 -0.555 16.837 1.549 1.00 0.00 C ATOM 279 CG ARG A 22 -1.212 18.067 2.152 1.00 0.00 C ATOM 280 CD ARG A 22 -1.392 19.167 1.117 1.00 0.00 C ATOM 281 NE ARG A 22 -2.537 20.021 1.420 1.00 0.00 N ATOM 282 CZ ARG A 22 -2.939 21.016 0.636 1.00 0.00 C ATOM 283 NH1 ARG A 22 -2.293 21.279 -0.491 1.00 0.00 N ATOM 284 NH2 ARG A 22 -3.990 21.749 0.980 1.00 0.00 N ATOM 0 H ARG A 22 1.596 16.203 3.143 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.286 15.517 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.411 17.120 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.167 16.477 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.182 17.795 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.604 18.438 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.488 19.775 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.524 18.720 0.132 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.056 19.844 2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.485 20.717 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.604 22.043 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.490 21.549 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.298 22.513 0.378 1.00 0.00 H new ATOM 298 N SER A 23 0.986 13.680 2.383 1.00 0.00 N ATOM 299 CA SER A 23 1.455 12.439 1.777 1.00 0.00 C ATOM 300 C SER A 23 2.123 11.545 2.818 1.00 0.00 C ATOM 301 O SER A 23 2.381 11.971 3.944 1.00 0.00 O ATOM 302 CB SER A 23 2.436 12.740 0.642 1.00 0.00 C ATOM 303 OG SER A 23 2.136 13.980 0.025 1.00 0.00 O ATOM 0 H SER A 23 1.441 13.917 3.265 1.00 0.00 H new ATOM 0 HA SER A 23 0.591 11.912 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.453 12.761 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.395 11.942 -0.099 1.00 0.00 H new ATOM 0 HG SER A 23 2.950 14.523 -0.031 1.00 0.00 H new ATOM 309 N ILE A 24 2.398 10.304 2.432 1.00 0.00 N ATOM 310 CA ILE A 24 3.037 9.350 3.330 1.00 0.00 C ATOM 311 C ILE A 24 3.894 8.355 2.556 1.00 0.00 C ATOM 312 O ILE A 24 3.463 7.803 1.542 1.00 0.00 O ATOM 313 CB ILE A 24 1.996 8.576 4.161 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.097 9.549 4.926 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.689 7.620 5.121 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.094 8.884 5.581 1.00 0.00 C ATOM 0 H ILE A 24 2.189 9.936 1.504 1.00 0.00 H new ATOM 0 HA ILE A 24 3.672 9.926 4.003 1.00 0.00 H new ATOM 0 HB ILE A 24 1.374 7.992 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.688 10.052 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.742 10.318 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.940 7.081 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.291 6.909 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.333 8.185 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.687 9.634 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.708 8.404 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.253 8.134 6.292 1.00 0.00 H new ATOM 328 N THR A 25 5.111 8.127 3.041 1.00 0.00 N ATOM 329 CA THR A 25 6.030 7.198 2.395 1.00 0.00 C ATOM 330 C THR A 25 6.193 5.926 3.218 1.00 0.00 C ATOM 331 O THR A 25 6.333 5.979 4.441 1.00 0.00 O ATOM 332 CB THR A 25 7.414 7.837 2.177 1.00 0.00 C ATOM 333 OG1 THR A 25 7.269 9.225 1.857 1.00 0.00 O ATOM 334 CG2 THR A 25 8.167 7.130 1.060 1.00 0.00 C ATOM 0 H THR A 25 5.483 8.573 3.879 1.00 0.00 H new ATOM 0 HA THR A 25 5.598 6.948 1.426 1.00 0.00 H new ATOM 0 HB THR A 25 7.985 7.736 3.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.095 9.733 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.142 7.599 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.303 6.080 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.597 7.203 0.134 1.00 0.00 H new ATOM 342 N LEU A 26 6.177 4.783 2.542 1.00 0.00 N ATOM 343 CA LEU A 26 6.324 3.495 3.211 1.00 0.00 C ATOM 344 C LEU A 26 7.338 2.617 2.485 1.00 0.00 C ATOM 345 O LEU A 26 7.670 2.863 1.325 1.00 0.00 O ATOM 346 CB LEU A 26 4.974 2.780 3.287 1.00 0.00 C ATOM 347 CG LEU A 26 3.753 3.673 3.505 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.491 2.980 3.015 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.622 4.047 4.974 1.00 0.00 C ATOM 0 H LEU A 26 6.064 4.722 1.530 1.00 0.00 H new ATOM 0 HA LEU A 26 6.688 3.678 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.829 2.220 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.016 2.052 4.097 1.00 0.00 H new ATOM 0 HG LEU A 26 3.888 4.588 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.632 3.631 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.585 2.763 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.351 2.049 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.747 4.683 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.510 3.142 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.515 4.584 5.294 1.00 0.00 H new ATOM 361 N SER A 27 7.825 1.590 3.174 1.00 0.00 N ATOM 362 CA SER A 27 8.802 0.675 2.595 1.00 0.00 C ATOM 363 C SER A 27 8.594 -0.743 3.116 1.00 0.00 C ATOM 364 O SER A 27 8.466 -0.961 4.321 1.00 0.00 O ATOM 365 CB SER A 27 10.223 1.145 2.915 1.00 0.00 C ATOM 366 OG SER A 27 11.167 0.118 2.666 1.00 0.00 O ATOM 0 H SER A 27 7.559 1.371 4.134 1.00 0.00 H new ATOM 0 HA SER A 27 8.663 0.670 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.465 2.020 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.282 1.452 3.959 1.00 0.00 H new ATOM 0 HG SER A 27 12.067 0.443 2.876 1.00 0.00 H new ATOM 372 N TRP A 28 8.561 -1.704 2.200 1.00 0.00 N ATOM 373 CA TRP A 28 8.368 -3.103 2.566 1.00 0.00 C ATOM 374 C TRP A 28 9.414 -3.989 1.900 1.00 0.00 C ATOM 375 O TRP A 28 9.881 -3.715 0.795 1.00 0.00 O ATOM 376 CB TRP A 28 6.964 -3.565 2.172 1.00 0.00 C ATOM 377 CG TRP A 28 6.632 -3.298 0.735 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.729 -4.177 -0.305 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.152 -2.068 0.181 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.338 -3.568 -1.473 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.979 -2.275 -1.202 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.850 -0.814 0.718 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.518 -1.272 -2.051 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.393 0.180 -0.127 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.230 -0.054 -1.498 1.00 0.00 C ATOM 0 H TRP A 28 8.665 -1.541 1.199 1.00 0.00 H new ATOM 0 HA TRP A 28 8.481 -3.189 3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.873 -4.634 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.233 -3.063 2.806 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.064 -5.200 -0.222 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.318 -4.008 -2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.971 -0.625 1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.392 -1.449 -3.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.158 1.154 0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.870 0.743 -2.132 1.00 0.00 H new ATOM 396 N PRO A 29 9.793 -5.078 2.587 1.00 0.00 N ATOM 397 CA PRO A 29 10.788 -6.027 2.079 1.00 0.00 C ATOM 398 C PRO A 29 10.268 -6.834 0.894 1.00 0.00 C ATOM 399 O PRO A 29 9.082 -6.782 0.569 1.00 0.00 O ATOM 400 CB PRO A 29 11.048 -6.943 3.278 1.00 0.00 C ATOM 401 CG PRO A 29 9.803 -6.863 4.092 1.00 0.00 C ATOM 402 CD PRO A 29 9.278 -5.466 3.910 1.00 0.00 C ATOM 0 HA PRO A 29 11.681 -5.523 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.247 -7.966 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.916 -6.612 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.072 -7.601 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.010 -7.068 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.189 -5.439 3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.636 -4.797 4.693 1.00 0.00 H new ATOM 410 N GLN A 30 11.163 -7.580 0.254 1.00 0.00 N ATOM 411 CA GLN A 30 10.793 -8.397 -0.895 1.00 0.00 C ATOM 412 C GLN A 30 10.593 -9.853 -0.486 1.00 0.00 C ATOM 413 O GLN A 30 11.391 -10.431 0.252 1.00 0.00 O ATOM 414 CB GLN A 30 11.866 -8.304 -1.981 1.00 0.00 C ATOM 415 CG GLN A 30 11.355 -8.643 -3.372 1.00 0.00 C ATOM 416 CD GLN A 30 12.446 -8.590 -4.423 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.528 -8.053 -4.185 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.167 -9.149 -5.595 1.00 0.00 N ATOM 0 H GLN A 30 12.148 -7.635 0.512 1.00 0.00 H new ATOM 0 HA GLN A 30 9.851 -8.016 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.276 -7.294 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.685 -8.978 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.915 -9.640 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.561 -7.947 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.257 -9.583 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.863 -9.144 -6.341 1.00 0.00 H new ATOM 427 N PRO A 31 9.502 -10.461 -0.974 1.00 0.00 N ATOM 428 CA PRO A 31 9.172 -11.857 -0.672 1.00 0.00 C ATOM 429 C PRO A 31 10.135 -12.837 -1.335 1.00 0.00 C ATOM 430 O PRO A 31 10.813 -12.495 -2.302 1.00 0.00 O ATOM 431 CB PRO A 31 7.763 -12.021 -1.248 1.00 0.00 C ATOM 432 CG PRO A 31 7.671 -10.994 -2.323 1.00 0.00 C ATOM 433 CD PRO A 31 8.507 -9.833 -1.860 1.00 0.00 C ATOM 0 HA PRO A 31 9.239 -12.070 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.612 -13.025 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.002 -11.863 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.040 -11.387 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.637 -10.690 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.981 -9.320 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.908 -9.092 -1.330 1.00 0.00 H new ATOM 441 N GLU A 32 10.187 -14.056 -0.807 1.00 0.00 N ATOM 442 CA GLU A 32 11.068 -15.084 -1.348 1.00 0.00 C ATOM 443 C GLU A 32 10.262 -16.193 -2.019 1.00 0.00 C ATOM 444 O GLU A 32 10.827 -17.118 -2.602 1.00 0.00 O ATOM 445 CB GLU A 32 11.942 -15.674 -0.239 1.00 0.00 C ATOM 446 CG GLU A 32 11.177 -16.556 0.734 1.00 0.00 C ATOM 447 CD GLU A 32 12.016 -16.973 1.926 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.796 -16.136 2.426 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.892 -18.138 2.359 1.00 0.00 O ATOM 0 H GLU A 32 9.630 -14.355 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 32 11.709 -14.619 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.744 -16.257 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.412 -14.860 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.294 -16.022 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.825 -17.446 0.212 1.00 0.00 H new ATOM 456 N GLN A 33 8.940 -16.091 -1.931 1.00 0.00 N ATOM 457 CA GLN A 33 8.056 -17.085 -2.529 1.00 0.00 C ATOM 458 C GLN A 33 7.019 -16.421 -3.428 1.00 0.00 C ATOM 459 O GLN A 33 5.824 -16.707 -3.354 1.00 0.00 O ATOM 460 CB GLN A 33 7.357 -17.898 -1.438 1.00 0.00 C ATOM 461 CG GLN A 33 8.189 -19.060 -0.918 1.00 0.00 C ATOM 462 CD GLN A 33 8.421 -20.128 -1.969 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.504 -20.507 -2.698 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.651 -20.620 -2.052 1.00 0.00 N ATOM 0 H GLN A 33 8.457 -15.331 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 33 8.663 -17.754 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.110 -17.238 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.416 -18.283 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.151 -18.685 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.688 -19.505 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.381 -20.277 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.866 -21.341 -2.740 1.00 0.00 H new ATOM 473 N PRO A 34 7.484 -15.512 -4.298 1.00 0.00 N ATOM 474 CA PRO A 34 6.613 -14.789 -5.229 1.00 0.00 C ATOM 475 C PRO A 34 6.054 -15.693 -6.322 1.00 0.00 C ATOM 476 O PRO A 34 5.338 -15.236 -7.212 1.00 0.00 O ATOM 477 CB PRO A 34 7.539 -13.730 -5.832 1.00 0.00 C ATOM 478 CG PRO A 34 8.907 -14.307 -5.705 1.00 0.00 C ATOM 479 CD PRO A 34 8.897 -15.121 -4.441 1.00 0.00 C ATOM 0 HA PRO A 34 5.738 -14.374 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.288 -13.532 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.458 -12.783 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.150 -14.928 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.660 -13.520 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.549 -15.991 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.242 -14.540 -3.586 1.00 0.00 H new ATOM 487 N ASN A 35 6.385 -16.978 -6.247 1.00 0.00 N ATOM 488 CA ASN A 35 5.915 -17.947 -7.231 1.00 0.00 C ATOM 489 C ASN A 35 6.192 -17.459 -8.650 1.00 0.00 C ATOM 490 O ASN A 35 5.404 -17.696 -9.564 1.00 0.00 O ATOM 491 CB ASN A 35 4.417 -18.202 -7.051 1.00 0.00 C ATOM 492 CG ASN A 35 4.121 -19.091 -5.859 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.577 -20.185 -6.006 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.480 -18.623 -4.669 1.00 0.00 N ATOM 0 H ASN A 35 6.976 -17.372 -5.516 1.00 0.00 H new ATOM 0 HA ASN A 35 6.457 -18.879 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.901 -17.250 -6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.019 -18.665 -7.954 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.307 -19.177 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.929 -17.710 -4.594 1.00 0.00 H new ATOM 501 N GLY A 36 7.320 -16.777 -8.825 1.00 0.00 N ATOM 502 CA GLY A 36 7.682 -16.267 -10.135 1.00 0.00 C ATOM 503 C GLY A 36 8.388 -14.927 -10.061 1.00 0.00 C ATOM 504 O GLY A 36 9.233 -14.711 -9.192 1.00 0.00 O ATOM 0 H GLY A 36 7.989 -16.569 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.328 -16.988 -10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.783 -16.168 -10.744 1.00 0.00 H new ATOM 508 N ILE A 37 8.042 -14.027 -10.975 1.00 0.00 N ATOM 509 CA ILE A 37 8.649 -12.702 -11.009 1.00 0.00 C ATOM 510 C ILE A 37 7.629 -11.621 -10.668 1.00 0.00 C ATOM 511 O ILE A 37 6.637 -11.445 -11.376 1.00 0.00 O ATOM 512 CB ILE A 37 9.261 -12.399 -12.390 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.268 -13.484 -12.775 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.925 -11.030 -12.386 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.382 -13.699 -14.268 1.00 0.00 C ATOM 0 H ILE A 37 7.345 -14.191 -11.701 1.00 0.00 H new ATOM 0 HA ILE A 37 9.442 -12.698 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 37 8.462 -12.392 -13.131 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.248 -13.217 -12.379 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.978 -14.422 -12.302 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.353 -10.830 -13.368 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.183 -10.267 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.715 -11.011 -11.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.113 -14.482 -14.468 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.413 -13.997 -14.668 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.702 -12.773 -14.746 1.00 0.00 H new ATOM 527 N ILE A 38 7.882 -10.899 -9.582 1.00 0.00 N ATOM 528 CA ILE A 38 6.987 -9.833 -9.150 1.00 0.00 C ATOM 529 C ILE A 38 7.030 -8.653 -10.115 1.00 0.00 C ATOM 530 O ILE A 38 7.999 -7.893 -10.140 1.00 0.00 O ATOM 531 CB ILE A 38 7.343 -9.338 -7.735 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.273 -10.493 -6.734 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.410 -8.211 -7.318 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.875 -10.162 -5.387 1.00 0.00 C ATOM 0 H ILE A 38 8.699 -11.033 -8.986 1.00 0.00 H new ATOM 0 HA ILE A 38 5.981 -10.252 -9.137 1.00 0.00 H new ATOM 0 HB ILE A 38 8.363 -8.954 -7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.231 -10.781 -6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.790 -11.357 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.674 -7.872 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.505 -7.382 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.381 -8.571 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.790 -11.026 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.926 -9.903 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.343 -9.318 -4.948 1.00 0.00 H new ATOM 546 N LEU A 39 5.974 -8.504 -10.906 1.00 0.00 N ATOM 547 CA LEU A 39 5.890 -7.415 -11.873 1.00 0.00 C ATOM 548 C LEU A 39 5.848 -6.063 -11.168 1.00 0.00 C ATOM 549 O LEU A 39 6.757 -5.246 -11.316 1.00 0.00 O ATOM 550 CB LEU A 39 4.650 -7.582 -12.753 1.00 0.00 C ATOM 551 CG LEU A 39 4.483 -8.946 -13.425 1.00 0.00 C ATOM 552 CD1 LEU A 39 3.027 -9.183 -13.796 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.372 -9.047 -14.655 1.00 0.00 C ATOM 0 H LEU A 39 5.164 -9.123 -10.897 1.00 0.00 H new ATOM 0 HA LEU A 39 6.781 -7.450 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.767 -7.389 -12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.674 -6.817 -13.529 1.00 0.00 H new ATOM 0 HG LEU A 39 4.787 -9.718 -12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.927 -10.158 -14.273 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.413 -9.155 -12.896 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.696 -8.406 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.240 -10.024 -15.120 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.100 -8.267 -15.366 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.414 -8.923 -14.362 1.00 0.00 H new ATOM 565 N ASP A 40 4.789 -5.835 -10.400 1.00 0.00 N ATOM 566 CA ASP A 40 4.630 -4.583 -9.669 1.00 0.00 C ATOM 567 C ASP A 40 3.948 -4.821 -8.325 1.00 0.00 C ATOM 568 O ASP A 40 3.584 -5.950 -7.994 1.00 0.00 O ATOM 569 CB ASP A 40 3.819 -3.584 -10.496 1.00 0.00 C ATOM 570 CG ASP A 40 4.330 -3.460 -11.918 1.00 0.00 C ATOM 571 OD1 ASP A 40 3.931 -4.287 -12.765 1.00 0.00 O ATOM 572 OD2 ASP A 40 5.129 -2.538 -12.184 1.00 0.00 O ATOM 0 H ASP A 40 4.028 -6.501 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 40 5.622 -4.170 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.775 -3.895 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.852 -2.607 -10.015 1.00 0.00 H new ATOM 577 N TYR A 41 3.780 -3.752 -7.555 1.00 0.00 N ATOM 578 CA TYR A 41 3.145 -3.846 -6.246 1.00 0.00 C ATOM 579 C TYR A 41 1.958 -2.893 -6.147 1.00 0.00 C ATOM 580 O TYR A 41 2.058 -1.720 -6.504 1.00 0.00 O ATOM 581 CB TYR A 41 4.157 -3.534 -5.142 1.00 0.00 C ATOM 582 CG TYR A 41 5.361 -4.448 -5.148 1.00 0.00 C ATOM 583 CD1 TYR A 41 5.356 -5.641 -4.435 1.00 0.00 C ATOM 584 CD2 TYR A 41 6.503 -4.121 -5.868 1.00 0.00 C ATOM 585 CE1 TYR A 41 6.454 -6.479 -4.437 1.00 0.00 C ATOM 586 CE2 TYR A 41 7.605 -4.954 -5.878 1.00 0.00 C ATOM 587 CZ TYR A 41 7.576 -6.131 -5.160 1.00 0.00 C ATOM 588 OH TYR A 41 8.671 -6.964 -5.166 1.00 0.00 O ATOM 0 H TYR A 41 4.075 -2.811 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 41 2.781 -4.866 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.494 -2.503 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.661 -3.607 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.478 -5.918 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.530 -3.199 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.434 -7.401 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.484 -4.685 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 41 9.420 -6.523 -4.713 1.00 0.00 H new ATOM 598 N GLU A 42 0.833 -3.407 -5.658 1.00 0.00 N ATOM 599 CA GLU A 42 -0.374 -2.603 -5.512 1.00 0.00 C ATOM 600 C GLU A 42 -0.548 -2.141 -4.068 1.00 0.00 C ATOM 601 O GLU A 42 -0.359 -2.916 -3.130 1.00 0.00 O ATOM 602 CB GLU A 42 -1.602 -3.400 -5.955 1.00 0.00 C ATOM 603 CG GLU A 42 -2.746 -2.532 -6.451 1.00 0.00 C ATOM 604 CD GLU A 42 -2.530 -2.037 -7.868 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.360 -1.853 -8.261 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.534 -1.833 -8.583 1.00 0.00 O ATOM 0 H GLU A 42 0.733 -4.376 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.273 -1.723 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.310 -4.089 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.953 -4.005 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.675 -3.101 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.864 -1.677 -5.785 1.00 0.00 H new ATOM 613 N ILE A 43 -0.909 -0.873 -3.898 1.00 0.00 N ATOM 614 CA ILE A 43 -1.109 -0.308 -2.569 1.00 0.00 C ATOM 615 C ILE A 43 -2.489 0.329 -2.445 1.00 0.00 C ATOM 616 O ILE A 43 -2.835 1.237 -3.201 1.00 0.00 O ATOM 617 CB ILE A 43 -0.037 0.748 -2.240 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.345 0.096 -2.162 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.371 1.452 -0.933 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.000 -0.095 -3.511 1.00 0.00 C ATOM 0 H ILE A 43 -1.069 -0.218 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.026 -1.131 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.023 1.491 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.993 0.710 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.253 -0.873 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.396 2.195 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.339 1.945 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.409 0.721 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.976 -0.562 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.373 -0.734 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.124 0.873 -3.996 1.00 0.00 H new ATOM 632 N ARG A 44 -3.272 -0.153 -1.486 1.00 0.00 N ATOM 633 CA ARG A 44 -4.615 0.369 -1.261 1.00 0.00 C ATOM 634 C ARG A 44 -4.676 1.173 0.034 1.00 0.00 C ATOM 635 O ARG A 44 -4.194 0.729 1.076 1.00 0.00 O ATOM 636 CB ARG A 44 -5.629 -0.775 -1.212 1.00 0.00 C ATOM 637 CG ARG A 44 -7.075 -0.309 -1.249 1.00 0.00 C ATOM 638 CD ARG A 44 -8.014 -1.437 -1.649 1.00 0.00 C ATOM 639 NE ARG A 44 -7.983 -2.540 -0.692 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.435 -3.760 -0.962 1.00 0.00 C ATOM 641 NH1 ARG A 44 -8.948 -4.031 -2.154 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.373 -4.711 -0.039 1.00 0.00 N ATOM 0 H ARG A 44 -3.000 -0.904 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.864 1.030 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.450 -1.444 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.466 -1.355 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.360 0.073 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.175 0.516 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.031 -1.052 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.737 -1.806 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.593 -2.364 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.996 -3.302 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.294 -4.968 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.978 -4.506 0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.720 -5.647 -0.247 1.00 0.00 H new ATOM 656 N TYR A 45 -5.271 2.359 -0.039 1.00 0.00 N ATOM 657 CA TYR A 45 -5.393 3.226 1.126 1.00 0.00 C ATOM 658 C TYR A 45 -6.781 3.855 1.195 1.00 0.00 C ATOM 659 O TYR A 45 -7.287 4.380 0.202 1.00 0.00 O ATOM 660 CB TYR A 45 -4.326 4.321 1.087 1.00 0.00 C ATOM 661 CG TYR A 45 -4.290 5.085 -0.217 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.813 4.492 -1.380 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.732 6.400 -0.287 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.778 5.186 -2.574 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.702 7.102 -1.477 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.224 6.490 -2.617 1.00 0.00 C ATOM 667 OH TYR A 45 -4.191 7.186 -3.804 1.00 0.00 O ATOM 0 H TYR A 45 -5.676 2.741 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.246 2.616 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.505 5.021 1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.349 3.871 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.464 3.471 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.106 6.882 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.404 4.710 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.051 8.123 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.541 8.090 -3.663 1.00 0.00 H new ATOM 677 N TYR A 46 -7.391 3.800 2.373 1.00 0.00 N ATOM 678 CA TYR A 46 -8.721 4.362 2.573 1.00 0.00 C ATOM 679 C TYR A 46 -8.849 4.979 3.962 1.00 0.00 C ATOM 680 O TYR A 46 -8.363 4.424 4.947 1.00 0.00 O ATOM 681 CB TYR A 46 -9.788 3.283 2.382 1.00 0.00 C ATOM 682 CG TYR A 46 -9.659 2.126 3.348 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.124 2.230 4.653 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.072 0.930 2.955 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.008 1.176 5.539 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.953 -0.130 3.833 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.421 -0.001 5.124 1.00 0.00 C ATOM 688 OH TYR A 46 -9.305 -1.054 6.003 1.00 0.00 O ATOM 0 H TYR A 46 -6.985 3.371 3.205 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.871 5.147 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.774 3.734 2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.729 2.902 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.584 3.151 4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.702 0.827 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.375 1.273 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.496 -1.054 3.510 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.870 -1.809 5.554 1.00 0.00 H new ATOM 698 N GLU A 47 -9.508 6.132 4.032 1.00 0.00 N ATOM 699 CA GLU A 47 -9.700 6.825 5.300 1.00 0.00 C ATOM 700 C GLU A 47 -10.202 5.865 6.375 1.00 0.00 C ATOM 701 O GLU A 47 -11.056 5.017 6.116 1.00 0.00 O ATOM 702 CB GLU A 47 -10.690 7.980 5.131 1.00 0.00 C ATOM 703 CG GLU A 47 -10.171 9.101 4.245 1.00 0.00 C ATOM 704 CD GLU A 47 -11.272 10.037 3.785 1.00 0.00 C ATOM 705 OE1 GLU A 47 -12.040 10.518 4.644 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.364 10.290 2.565 1.00 0.00 O ATOM 0 H GLU A 47 -9.917 6.605 3.226 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.736 7.225 5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.617 7.594 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.932 8.387 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.418 9.671 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.677 8.671 3.374 1.00 0.00 H new ATOM 713 N LYS A 48 -9.665 6.005 7.582 1.00 0.00 N ATOM 714 CA LYS A 48 -10.057 5.152 8.698 1.00 0.00 C ATOM 715 C LYS A 48 -11.556 5.254 8.960 1.00 0.00 C ATOM 716 O LYS A 48 -12.146 4.376 9.589 1.00 0.00 O ATOM 717 CB LYS A 48 -9.280 5.537 9.959 1.00 0.00 C ATOM 718 CG LYS A 48 -9.750 4.813 11.208 1.00 0.00 C ATOM 719 CD LYS A 48 -8.858 5.119 12.399 1.00 0.00 C ATOM 720 CE LYS A 48 -8.863 3.980 13.407 1.00 0.00 C ATOM 721 NZ LYS A 48 -8.069 2.814 12.930 1.00 0.00 N ATOM 0 H LYS A 48 -8.957 6.702 7.813 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.821 4.121 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.222 5.325 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.370 6.612 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.775 5.106 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.759 3.738 11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.839 5.297 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.197 6.035 12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.457 4.332 14.355 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.890 3.667 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.911 2.155 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.588 2.328 12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.152 3.144 12.566 1.00 0.00 H new ATOM 735 N GLU A 49 -12.166 6.330 8.473 1.00 0.00 N ATOM 736 CA GLU A 49 -13.596 6.545 8.656 1.00 0.00 C ATOM 737 C GLU A 49 -14.366 6.194 7.385 1.00 0.00 C ATOM 738 O GLU A 49 -15.539 6.540 7.241 1.00 0.00 O ATOM 739 CB GLU A 49 -13.871 7.999 9.046 1.00 0.00 C ATOM 740 CG GLU A 49 -13.712 8.270 10.533 1.00 0.00 C ATOM 741 CD GLU A 49 -12.299 8.674 10.905 1.00 0.00 C ATOM 742 OE1 GLU A 49 -11.657 9.391 10.109 1.00 0.00 O ATOM 743 OE2 GLU A 49 -11.835 8.274 11.993 1.00 0.00 O ATOM 0 H GLU A 49 -11.692 7.066 7.949 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.935 5.891 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.194 8.649 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.885 8.262 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.402 9.060 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.990 7.377 11.093 1.00 0.00 H new ATOM 750 N HIS A 50 -13.696 5.506 6.466 1.00 0.00 N ATOM 751 CA HIS A 50 -14.316 5.108 5.207 1.00 0.00 C ATOM 752 C HIS A 50 -14.125 3.616 4.955 1.00 0.00 C ATOM 753 O HIS A 50 -13.418 2.937 5.699 1.00 0.00 O ATOM 754 CB HIS A 50 -13.727 5.912 4.048 1.00 0.00 C ATOM 755 CG HIS A 50 -14.184 7.338 4.015 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.744 7.923 2.899 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.163 8.297 4.970 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.046 9.181 3.169 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.704 9.433 4.419 1.00 0.00 N ATOM 0 H HIS A 50 -12.725 5.213 6.569 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.384 5.313 5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.639 5.889 4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.997 5.431 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.790 8.189 5.978 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.496 9.884 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.822 10.326 4.898 1.00 0.00 H new ATOM 768 N ASN A 51 -14.760 3.112 3.902 1.00 0.00 N ATOM 769 CA ASN A 51 -14.661 1.699 3.554 1.00 0.00 C ATOM 770 C ASN A 51 -13.840 1.509 2.282 1.00 0.00 C ATOM 771 O ASN A 51 -13.500 2.476 1.601 1.00 0.00 O ATOM 772 CB ASN A 51 -16.056 1.099 3.368 1.00 0.00 C ATOM 773 CG ASN A 51 -16.024 -0.412 3.241 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.579 -1.113 4.151 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.495 -0.921 2.109 1.00 0.00 N ATOM 0 H ASN A 51 -15.348 3.661 3.275 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.157 1.183 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.684 1.376 4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.516 1.526 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.498 -1.931 1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.854 -0.302 1.382 1.00 0.00 H new ATOM 782 N GLU A 52 -13.525 0.256 1.969 1.00 0.00 N ATOM 783 CA GLU A 52 -12.743 -0.060 0.779 1.00 0.00 C ATOM 784 C GLU A 52 -13.363 0.574 -0.463 1.00 0.00 C ATOM 785 O GLU A 52 -12.665 1.167 -1.285 1.00 0.00 O ATOM 786 CB GLU A 52 -12.643 -1.576 0.596 1.00 0.00 C ATOM 787 CG GLU A 52 -11.841 -2.269 1.685 1.00 0.00 C ATOM 788 CD GLU A 52 -10.344 -2.157 1.468 1.00 0.00 C ATOM 789 OE1 GLU A 52 -9.923 -1.285 0.678 1.00 0.00 O ATOM 790 OE2 GLU A 52 -9.594 -2.941 2.086 1.00 0.00 O ATOM 0 H GLU A 52 -13.799 -0.556 2.522 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.742 0.349 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.648 -1.998 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.186 -1.787 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.098 -1.836 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.121 -3.322 1.723 1.00 0.00 H new ATOM 797 N PHE A 53 -14.679 0.442 -0.593 1.00 0.00 N ATOM 798 CA PHE A 53 -15.394 1.000 -1.735 1.00 0.00 C ATOM 799 C PHE A 53 -14.836 2.370 -2.109 1.00 0.00 C ATOM 800 O PHE A 53 -14.450 2.603 -3.254 1.00 0.00 O ATOM 801 CB PHE A 53 -16.888 1.113 -1.423 1.00 0.00 C ATOM 802 CG PHE A 53 -17.750 1.211 -2.649 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.958 0.104 -3.457 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.353 2.409 -2.994 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.750 0.192 -4.585 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.147 2.503 -4.121 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.347 1.393 -4.918 1.00 0.00 C ATOM 0 H PHE A 53 -15.272 -0.046 0.078 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.257 0.328 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.196 0.245 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.056 1.991 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.495 -0.838 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.201 3.281 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.903 -0.678 -5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.611 3.444 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.968 1.463 -5.799 1.00 0.00 H new ATOM 817 N ASN A 54 -14.799 3.273 -1.135 1.00 0.00 N ATOM 818 CA ASN A 54 -14.290 4.621 -1.362 1.00 0.00 C ATOM 819 C ASN A 54 -12.801 4.702 -1.037 1.00 0.00 C ATOM 820 O ASN A 54 -12.391 5.428 -0.131 1.00 0.00 O ATOM 821 CB ASN A 54 -15.064 5.631 -0.512 1.00 0.00 C ATOM 822 CG ASN A 54 -16.275 6.188 -1.236 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.673 5.680 -2.284 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.866 7.238 -0.677 1.00 0.00 N ATOM 0 H ASN A 54 -15.115 3.096 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.428 4.862 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.385 5.153 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.402 6.451 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.685 7.657 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.501 7.626 0.193 1.00 0.00 H new ATOM 831 N SER A 55 -11.997 3.953 -1.784 1.00 0.00 N ATOM 832 CA SER A 55 -10.554 3.937 -1.574 1.00 0.00 C ATOM 833 C SER A 55 -9.814 4.279 -2.864 1.00 0.00 C ATOM 834 O SER A 55 -10.431 4.577 -3.886 1.00 0.00 O ATOM 835 CB SER A 55 -10.106 2.566 -1.065 1.00 0.00 C ATOM 836 OG SER A 55 -8.755 2.596 -0.638 1.00 0.00 O ATOM 0 H SER A 55 -12.320 3.349 -2.540 1.00 0.00 H new ATOM 0 HA SER A 55 -10.313 4.691 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.745 2.255 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.224 1.825 -1.855 1.00 0.00 H new ATOM 0 HG SER A 55 -8.554 3.474 -0.251 1.00 0.00 H new ATOM 842 N SER A 56 -8.486 4.235 -2.807 1.00 0.00 N ATOM 843 CA SER A 56 -7.660 4.544 -3.968 1.00 0.00 C ATOM 844 C SER A 56 -6.419 3.658 -4.003 1.00 0.00 C ATOM 845 O SER A 56 -5.689 3.555 -3.017 1.00 0.00 O ATOM 846 CB SER A 56 -7.249 6.017 -3.950 1.00 0.00 C ATOM 847 OG SER A 56 -8.372 6.862 -4.132 1.00 0.00 O ATOM 0 H SER A 56 -7.960 3.988 -1.969 1.00 0.00 H new ATOM 0 HA SER A 56 -8.249 4.350 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.764 6.251 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.518 6.204 -4.737 1.00 0.00 H new ATOM 0 HG SER A 56 -8.083 7.798 -4.115 1.00 0.00 H new ATOM 853 N MET A 57 -6.187 3.020 -5.145 1.00 0.00 N ATOM 854 CA MET A 57 -5.033 2.143 -5.310 1.00 0.00 C ATOM 855 C MET A 57 -3.900 2.866 -6.030 1.00 0.00 C ATOM 856 O MET A 57 -4.136 3.789 -6.809 1.00 0.00 O ATOM 857 CB MET A 57 -5.428 0.886 -6.087 1.00 0.00 C ATOM 858 CG MET A 57 -6.107 -0.171 -5.230 1.00 0.00 C ATOM 859 SD MET A 57 -6.554 -1.644 -6.169 1.00 0.00 S ATOM 860 CE MET A 57 -6.405 -2.907 -4.907 1.00 0.00 C ATOM 0 H MET A 57 -6.782 3.093 -5.970 1.00 0.00 H new ATOM 0 HA MET A 57 -4.683 1.853 -4.319 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.097 1.167 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.536 0.455 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.442 -0.453 -4.413 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.004 0.254 -4.779 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.671 -3.650 -5.220 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.082 -2.450 -3.972 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.371 -3.390 -4.760 1.00 0.00 H new ATOM 870 N ALA A 58 -2.669 2.440 -5.765 1.00 0.00 N ATOM 871 CA ALA A 58 -1.500 3.045 -6.390 1.00 0.00 C ATOM 872 C ALA A 58 -0.497 1.982 -6.825 1.00 0.00 C ATOM 873 O ALA A 58 -0.154 1.086 -6.053 1.00 0.00 O ATOM 874 CB ALA A 58 -0.844 4.033 -5.436 1.00 0.00 C ATOM 0 H ALA A 58 -2.456 1.678 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.831 3.580 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.028 4.478 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.556 4.817 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.534 3.513 -4.530 1.00 0.00 H new ATOM 880 N ARG A 59 -0.032 2.086 -8.066 1.00 0.00 N ATOM 881 CA ARG A 59 0.930 1.132 -8.604 1.00 0.00 C ATOM 882 C ARG A 59 2.360 1.581 -8.317 1.00 0.00 C ATOM 883 O ARG A 59 2.644 2.777 -8.251 1.00 0.00 O ATOM 884 CB ARG A 59 0.728 0.967 -10.111 1.00 0.00 C ATOM 885 CG ARG A 59 -0.252 -0.136 -10.477 1.00 0.00 C ATOM 886 CD ARG A 59 -0.449 -0.229 -11.982 1.00 0.00 C ATOM 887 NE ARG A 59 0.757 -0.691 -12.664 1.00 0.00 N ATOM 888 CZ ARG A 59 1.742 0.115 -13.043 1.00 0.00 C ATOM 889 NH1 ARG A 59 1.665 1.418 -12.807 1.00 0.00 N ATOM 890 NH2 ARG A 59 2.808 -0.381 -13.659 1.00 0.00 N ATOM 0 H ARG A 59 -0.306 2.821 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 59 0.764 0.172 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.373 1.910 -10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.690 0.756 -10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.114 -1.090 -10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.211 0.053 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.272 -0.911 -12.199 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.734 0.748 -12.371 1.00 0.00 H new ATOM 0 HE ARG A 59 0.848 -1.688 -12.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.848 1.803 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.423 2.035 -13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.871 -1.382 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.564 0.239 -13.950 1.00 0.00 H new ATOM 904 N SER A 60 3.256 0.614 -8.148 1.00 0.00 N ATOM 905 CA SER A 60 4.655 0.909 -7.864 1.00 0.00 C ATOM 906 C SER A 60 5.570 -0.136 -8.496 1.00 0.00 C ATOM 907 O SER A 60 5.337 -1.337 -8.368 1.00 0.00 O ATOM 908 CB SER A 60 4.891 0.963 -6.354 1.00 0.00 C ATOM 909 OG SER A 60 6.174 1.486 -6.056 1.00 0.00 O ATOM 0 H SER A 60 3.038 -0.381 -8.203 1.00 0.00 H new ATOM 0 HA SER A 60 4.890 1.882 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.125 1.581 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.796 -0.037 -5.932 1.00 0.00 H new ATOM 0 HG SER A 60 6.752 0.766 -5.728 1.00 0.00 H new ATOM 915 N GLN A 61 6.610 0.332 -9.178 1.00 0.00 N ATOM 916 CA GLN A 61 7.560 -0.561 -9.831 1.00 0.00 C ATOM 917 C GLN A 61 8.698 -0.930 -8.885 1.00 0.00 C ATOM 918 O GLN A 61 9.732 -1.447 -9.311 1.00 0.00 O ATOM 919 CB GLN A 61 8.122 0.092 -11.094 1.00 0.00 C ATOM 920 CG GLN A 61 7.091 0.269 -12.197 1.00 0.00 C ATOM 921 CD GLN A 61 7.724 0.494 -13.557 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.909 0.225 -13.754 1.00 0.00 O ATOM 923 NE2 GLN A 61 6.935 0.988 -14.503 1.00 0.00 N ATOM 0 H GLN A 61 6.816 1.324 -9.293 1.00 0.00 H new ATOM 0 HA GLN A 61 7.031 -1.473 -10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.537 1.066 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.945 -0.515 -11.471 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.454 -0.614 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.448 1.115 -11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.958 1.196 -14.295 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.305 1.159 -15.438 1.00 0.00 H new ATOM 932 N THR A 62 8.503 -0.661 -7.598 1.00 0.00 N ATOM 933 CA THR A 62 9.513 -0.963 -6.592 1.00 0.00 C ATOM 934 C THR A 62 8.871 -1.301 -5.252 1.00 0.00 C ATOM 935 O THR A 62 7.652 -1.235 -5.103 1.00 0.00 O ATOM 936 CB THR A 62 10.485 0.217 -6.400 1.00 0.00 C ATOM 937 OG1 THR A 62 11.347 -0.035 -5.285 1.00 0.00 O ATOM 938 CG2 THR A 62 9.722 1.514 -6.174 1.00 0.00 C ATOM 0 H THR A 62 7.654 -0.234 -7.228 1.00 0.00 H new ATOM 0 HA THR A 62 10.070 -1.828 -6.953 1.00 0.00 H new ATOM 0 HB THR A 62 11.083 0.318 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.062 0.635 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.428 2.333 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.088 1.718 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.102 1.421 -5.282 1.00 0.00 H new ATOM 946 N ASN A 63 9.700 -1.663 -4.278 1.00 0.00 N ATOM 947 CA ASN A 63 9.212 -2.012 -2.949 1.00 0.00 C ATOM 948 C ASN A 63 9.029 -0.763 -2.091 1.00 0.00 C ATOM 949 O ASN A 63 9.094 -0.824 -0.863 1.00 0.00 O ATOM 950 CB ASN A 63 10.181 -2.977 -2.264 1.00 0.00 C ATOM 951 CG ASN A 63 9.847 -4.429 -2.545 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.949 -4.893 -3.681 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.445 -5.156 -1.508 1.00 0.00 N ATOM 0 H ASN A 63 10.713 -1.722 -4.384 1.00 0.00 H new ATOM 0 HA ASN A 63 8.243 -2.499 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.196 -2.769 -2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.161 -2.804 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.207 -6.139 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.375 -4.731 -0.584 1.00 0.00 H new ATOM 960 N THR A 64 8.799 0.370 -2.747 1.00 0.00 N ATOM 961 CA THR A 64 8.607 1.633 -2.047 1.00 0.00 C ATOM 962 C THR A 64 7.719 2.577 -2.849 1.00 0.00 C ATOM 963 O THR A 64 8.039 2.932 -3.983 1.00 0.00 O ATOM 964 CB THR A 64 9.952 2.328 -1.763 1.00 0.00 C ATOM 965 OG1 THR A 64 9.725 3.597 -1.140 1.00 0.00 O ATOM 966 CG2 THR A 64 10.742 2.522 -3.048 1.00 0.00 C ATOM 0 H THR A 64 8.741 0.438 -3.763 1.00 0.00 H new ATOM 0 HA THR A 64 8.121 1.399 -1.100 1.00 0.00 H new ATOM 0 HB THR A 64 10.530 1.693 -1.092 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.089 3.490 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.688 3.015 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.938 1.552 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.167 3.139 -3.739 1.00 0.00 H new ATOM 974 N ALA A 65 6.602 2.981 -2.252 1.00 0.00 N ATOM 975 CA ALA A 65 5.669 3.887 -2.911 1.00 0.00 C ATOM 976 C ALA A 65 5.182 4.967 -1.951 1.00 0.00 C ATOM 977 O ALA A 65 5.032 4.725 -0.753 1.00 0.00 O ATOM 978 CB ALA A 65 4.489 3.110 -3.476 1.00 0.00 C ATOM 0 H ALA A 65 6.322 2.695 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 65 6.194 4.376 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.800 3.799 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.848 2.380 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.972 2.594 -2.667 1.00 0.00 H new ATOM 984 N ARG A 66 4.938 6.160 -2.484 1.00 0.00 N ATOM 985 CA ARG A 66 4.471 7.278 -1.673 1.00 0.00 C ATOM 986 C ARG A 66 3.044 7.664 -2.051 1.00 0.00 C ATOM 987 O ARG A 66 2.722 7.813 -3.231 1.00 0.00 O ATOM 988 CB ARG A 66 5.398 8.483 -1.844 1.00 0.00 C ATOM 989 CG ARG A 66 4.808 9.784 -1.325 1.00 0.00 C ATOM 990 CD ARG A 66 5.693 10.972 -1.667 1.00 0.00 C ATOM 991 NE ARG A 66 4.929 12.213 -1.767 1.00 0.00 N ATOM 992 CZ ARG A 66 5.444 13.360 -2.195 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.716 13.424 -2.562 1.00 0.00 N ATOM 994 NH2 ARG A 66 4.684 14.447 -2.258 1.00 0.00 N ATOM 0 H ARG A 66 5.056 6.377 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 66 4.481 6.966 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.335 8.286 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.638 8.599 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.817 9.932 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.682 9.722 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.464 11.081 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.204 10.784 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 66 3.947 12.198 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.303 12.591 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.108 14.306 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.704 14.401 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.080 15.328 -2.587 1.00 0.00 H new ATOM 1008 N ILE A 67 2.193 7.823 -1.043 1.00 0.00 N ATOM 1009 CA ILE A 67 0.801 8.191 -1.270 1.00 0.00 C ATOM 1010 C ILE A 67 0.590 9.689 -1.074 1.00 0.00 C ATOM 1011 O ILE A 67 0.893 10.236 -0.014 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.146 7.424 -0.328 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.281 5.958 -0.225 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.582 7.530 -0.819 1.00 0.00 C ATOM 1015 CD1 ILE A 67 -0.162 5.115 -1.400 1.00 0.00 C ATOM 0 H ILE A 67 2.443 7.703 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 67 0.569 7.924 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.089 7.871 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.367 5.909 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.128 5.533 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.239 6.983 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.881 8.578 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.657 7.105 -1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.176 4.088 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.250 5.133 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.268 5.515 -2.318 1.00 0.00 H new ATOM 1027 N ASP A 68 0.067 10.346 -2.104 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.188 11.781 -2.045 1.00 0.00 C ATOM 1029 C ASP A 68 -1.675 12.076 -2.216 1.00 0.00 C ATOM 1030 O ASP A 68 -2.356 11.437 -3.016 1.00 0.00 O ATOM 1031 CB ASP A 68 0.617 12.508 -3.123 1.00 0.00 C ATOM 1032 CG ASP A 68 -0.085 12.511 -4.466 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -1.158 13.141 -4.574 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.440 11.884 -5.410 1.00 0.00 O ATOM 0 H ASP A 68 -0.188 9.908 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 68 0.125 12.141 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.796 13.536 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.592 12.032 -3.227 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.171 13.049 -1.458 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.574 13.411 -1.540 1.00 0.00 C ATOM 1041 C GLY A 69 -4.316 13.157 -0.243 1.00 0.00 C ATOM 1042 O GLY A 69 -5.531 12.955 -0.243 1.00 0.00 O ATOM 0 H GLY A 69 -1.626 13.593 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.659 14.465 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.046 12.843 -2.342 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.584 13.165 0.866 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.180 12.932 2.177 1.00 0.00 C ATOM 1048 C LEU A 70 -4.237 14.224 2.986 1.00 0.00 C ATOM 1049 O LEU A 70 -3.602 15.218 2.633 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.382 11.873 2.940 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.815 10.726 2.103 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.737 9.983 2.876 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.925 9.774 1.683 1.00 0.00 C ATOM 0 H LEU A 70 -2.578 13.330 0.883 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.198 12.573 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.555 12.368 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.024 11.449 3.712 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.364 11.146 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.345 9.170 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.929 10.671 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.163 9.575 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.504 8.964 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.405 9.361 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.663 10.314 1.089 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.000 14.201 4.074 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.139 15.369 4.935 1.00 0.00 C ATOM 1067 C ARG A 71 -4.178 15.292 6.117 1.00 0.00 C ATOM 1068 O ARG A 71 -3.829 14.212 6.595 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.578 15.488 5.440 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.497 16.239 4.490 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.735 16.757 5.206 1.00 0.00 C ATOM 1072 NE ARG A 71 -9.784 15.745 5.288 1.00 0.00 N ATOM 1073 CZ ARG A 71 -11.020 15.999 5.705 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -11.358 17.226 6.077 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -11.919 15.025 5.751 1.00 0.00 N ATOM 0 H ARG A 71 -5.531 13.386 4.380 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.893 16.253 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.980 14.488 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.575 15.995 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.957 17.074 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.796 15.581 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.464 17.080 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.117 17.633 4.682 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.556 14.791 5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.669 17.977 6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.307 17.419 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.662 14.080 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.867 15.221 6.071 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.739 16.463 6.601 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.812 16.554 7.733 1.00 0.00 C ATOM 1091 C PRO A 72 -3.463 16.143 9.050 1.00 0.00 C ATOM 1092 O PRO A 72 -4.626 16.453 9.302 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.435 18.037 7.764 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.585 18.734 7.123 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.113 17.789 6.081 1.00 0.00 C ATOM 0 HA PRO A 72 -1.959 15.885 7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.281 18.385 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.508 18.221 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.354 18.975 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.269 19.675 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.192 17.884 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.667 17.978 5.104 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.703 15.442 9.886 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.224 15.000 11.167 1.00 0.00 C ATOM 1105 C GLY A 73 -4.377 14.027 11.019 1.00 0.00 C ATOM 1106 O GLY A 73 -5.381 14.134 11.722 1.00 0.00 O ATOM 0 H GLY A 73 -1.737 15.172 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.424 14.527 11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.555 15.866 11.740 1.00 0.00 H new ATOM 1110 N MET A 74 -4.233 13.076 10.102 1.00 0.00 N ATOM 1111 CA MET A 74 -5.272 12.081 9.865 1.00 0.00 C ATOM 1112 C MET A 74 -4.679 10.676 9.816 1.00 0.00 C ATOM 1113 O MET A 74 -3.460 10.508 9.765 1.00 0.00 O ATOM 1114 CB MET A 74 -6.008 12.382 8.558 1.00 0.00 C ATOM 1115 CG MET A 74 -7.093 13.437 8.701 1.00 0.00 C ATOM 1116 SD MET A 74 -8.450 13.200 7.538 1.00 0.00 S ATOM 1117 CE MET A 74 -9.326 11.843 8.312 1.00 0.00 C ATOM 0 H MET A 74 -3.408 12.974 9.511 1.00 0.00 H new ATOM 0 HA MET A 74 -5.981 12.129 10.692 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.286 12.714 7.812 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.455 11.462 8.182 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.484 13.415 9.718 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.657 14.424 8.548 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.727 11.183 7.543 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.641 11.284 8.949 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.144 12.235 8.916 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.547 9.670 9.831 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.109 8.280 9.787 1.00 0.00 C ATOM 1129 C VAL A 75 -5.652 7.572 8.552 1.00 0.00 C ATOM 1130 O VAL A 75 -6.836 7.680 8.231 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.556 7.511 11.045 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -5.047 6.078 11.003 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.074 8.220 12.302 1.00 0.00 C ATOM 0 H VAL A 75 -6.559 9.792 9.873 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.020 8.292 9.745 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.645 7.484 11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.372 5.550 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.446 5.576 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.958 6.080 10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.399 7.663 13.181 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.986 8.279 12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.492 9.226 12.335 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.779 6.846 7.862 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.170 6.120 6.660 1.00 0.00 C ATOM 1145 C TYR A 76 -4.620 4.697 6.679 1.00 0.00 C ATOM 1146 O TYR A 76 -3.436 4.480 6.935 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.674 6.853 5.412 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.338 8.194 5.194 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.975 9.302 5.950 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.327 8.353 4.231 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.580 10.528 5.754 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.935 9.576 4.027 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.559 10.661 4.792 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.162 11.882 4.593 1.00 0.00 O ATOM 0 H TYR A 76 -3.796 6.745 8.115 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.259 6.069 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.597 6.999 5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.848 6.225 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.207 9.203 6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.625 7.505 3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.288 11.379 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.701 9.683 3.273 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.525 12.210 5.442 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.490 3.729 6.406 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.094 2.326 6.390 1.00 0.00 C ATOM 1166 C VAL A 77 -4.518 1.934 5.034 1.00 0.00 C ATOM 1167 O VAL A 77 -5.247 1.806 4.051 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.282 1.403 6.718 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.865 -0.057 6.629 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.841 1.724 8.096 1.00 0.00 C ATOM 0 H VAL A 77 -6.474 3.891 6.193 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.328 2.204 7.156 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.068 1.576 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.718 -0.694 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.517 -0.275 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.061 -0.250 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.680 1.062 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.064 1.581 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.181 2.760 8.119 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.203 1.742 4.989 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.528 1.362 3.754 1.00 0.00 C ATOM 1182 C VAL A 78 -2.055 -0.086 3.809 1.00 0.00 C ATOM 1183 O VAL A 78 -1.843 -0.639 4.888 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.320 2.274 3.470 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.722 1.961 2.107 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.725 3.738 3.560 1.00 0.00 C ATOM 0 H VAL A 78 -2.584 1.843 5.794 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.255 1.474 2.950 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.558 2.084 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.130 2.616 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.393 0.922 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.474 2.121 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.859 4.368 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.505 3.945 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.101 3.951 4.561 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.892 -0.695 2.639 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.444 -2.080 2.555 1.00 0.00 C ATOM 1198 C GLN A 79 -0.582 -2.299 1.316 1.00 0.00 C ATOM 1199 O GLN A 79 -0.358 -1.377 0.532 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.645 -3.026 2.528 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.381 -3.113 3.856 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.797 -3.632 3.706 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.746 -2.855 3.594 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.948 -4.951 3.702 1.00 0.00 N ATOM 0 H GLN A 79 -2.063 -0.251 1.737 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.841 -2.294 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.341 -2.694 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.306 -4.022 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.828 -3.766 4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.407 -2.126 4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.134 -5.558 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.878 -5.358 3.603 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.099 -3.526 1.146 1.00 0.00 N ATOM 1214 CA VAL A 80 0.738 -3.867 0.002 1.00 0.00 C ATOM 1215 C VAL A 80 0.621 -5.347 -0.343 1.00 0.00 C ATOM 1216 O VAL A 80 0.597 -6.201 0.543 1.00 0.00 O ATOM 1217 CB VAL A 80 2.217 -3.528 0.268 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.870 -4.613 1.110 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.964 -3.337 -1.043 1.00 0.00 C ATOM 0 H VAL A 80 -0.273 -4.300 1.786 1.00 0.00 H new ATOM 0 HA VAL A 80 0.382 -3.272 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 80 2.263 -2.592 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.914 -4.356 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.349 -4.696 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.815 -5.565 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.007 -3.098 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.911 -4.255 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.510 -2.521 -1.605 1.00 0.00 H new ATOM 1229 N ARG A 81 0.550 -5.644 -1.636 1.00 0.00 N ATOM 1230 CA ARG A 81 0.435 -7.021 -2.099 1.00 0.00 C ATOM 1231 C ARG A 81 1.371 -7.279 -3.276 1.00 0.00 C ATOM 1232 O ARG A 81 1.899 -6.345 -3.878 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.008 -7.327 -2.504 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.467 -6.570 -3.740 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.604 -7.293 -4.445 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.356 -6.402 -5.324 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.561 -6.689 -5.804 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.147 -7.837 -5.491 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.183 -5.828 -6.599 1.00 0.00 N ATOM 0 H ARG A 81 0.570 -4.949 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 81 0.722 -7.679 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.106 -8.397 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.669 -7.083 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.792 -5.569 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.629 -6.450 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.201 -8.122 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.277 -7.722 -3.702 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.933 -5.511 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.672 -8.502 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.072 -8.055 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.736 -4.944 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.108 -6.050 -6.967 1.00 0.00 H new ATOM 1253 N ALA A 82 1.571 -8.553 -3.598 1.00 0.00 N ATOM 1254 CA ALA A 82 2.441 -8.934 -4.704 1.00 0.00 C ATOM 1255 C ALA A 82 1.628 -9.356 -5.923 1.00 0.00 C ATOM 1256 O ALA A 82 0.625 -10.059 -5.799 1.00 0.00 O ATOM 1257 CB ALA A 82 3.377 -10.055 -4.278 1.00 0.00 C ATOM 0 H ALA A 82 1.142 -9.339 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 82 3.036 -8.064 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.021 -10.329 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.991 -9.719 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.791 -10.922 -3.972 1.00 0.00 H new ATOM 1263 N ARG A 83 2.065 -8.921 -7.100 1.00 0.00 N ATOM 1264 CA ARG A 83 1.376 -9.252 -8.341 1.00 0.00 C ATOM 1265 C ARG A 83 2.338 -9.879 -9.347 1.00 0.00 C ATOM 1266 O ARG A 83 3.370 -9.297 -9.682 1.00 0.00 O ATOM 1267 CB ARG A 83 0.736 -8.000 -8.944 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.103 -8.280 -10.180 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.454 -6.997 -10.917 1.00 0.00 C ATOM 1270 NE ARG A 83 0.564 -6.633 -11.898 1.00 0.00 N ATOM 1271 CZ ARG A 83 0.417 -5.652 -12.782 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.702 -4.940 -12.806 1.00 0.00 N ATOM 1273 NH2 ARG A 83 1.389 -5.381 -13.643 1.00 0.00 N ATOM 0 H ARG A 83 2.893 -8.338 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 83 0.595 -9.976 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.109 -7.524 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.521 -7.289 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.442 -8.947 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.018 -8.797 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.414 -7.118 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.571 -6.186 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 83 1.437 -7.161 -11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.451 -5.145 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.813 -4.187 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.251 -5.926 -13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.274 -4.628 -14.321 1.00 0.00 H new ATOM 1287 N THR A 84 1.992 -11.070 -9.825 1.00 0.00 N ATOM 1288 CA THR A 84 2.825 -11.777 -10.790 1.00 0.00 C ATOM 1289 C THR A 84 2.030 -12.141 -12.039 1.00 0.00 C ATOM 1290 O THR A 84 0.833 -11.868 -12.127 1.00 0.00 O ATOM 1291 CB THR A 84 3.422 -13.061 -10.184 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.452 -14.114 -10.215 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.873 -12.823 -8.751 1.00 0.00 C ATOM 0 H THR A 84 1.141 -11.565 -9.560 1.00 0.00 H new ATOM 0 HA THR A 84 3.636 -11.101 -11.062 1.00 0.00 H new ATOM 0 HB THR A 84 4.289 -13.348 -10.779 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.840 -14.927 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.291 -13.743 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.632 -12.041 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.020 -12.514 -8.148 1.00 0.00 H new ATOM 1301 N VAL A 85 2.704 -12.758 -13.005 1.00 0.00 N ATOM 1302 CA VAL A 85 2.059 -13.161 -14.249 1.00 0.00 C ATOM 1303 C VAL A 85 0.927 -14.147 -13.987 1.00 0.00 C ATOM 1304 O VAL A 85 0.154 -14.475 -14.887 1.00 0.00 O ATOM 1305 CB VAL A 85 3.068 -13.801 -15.221 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.339 -15.247 -14.834 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.559 -13.710 -16.652 1.00 0.00 C ATOM 0 H VAL A 85 3.696 -12.989 -12.950 1.00 0.00 H new ATOM 0 HA VAL A 85 1.651 -12.257 -14.702 1.00 0.00 H new ATOM 0 HB VAL A 85 4.007 -13.251 -15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.054 -15.683 -15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.749 -15.283 -13.825 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.408 -15.813 -14.868 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.284 -14.167 -17.326 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.607 -14.235 -16.734 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.421 -12.663 -16.923 1.00 0.00 H new ATOM 1317 N ALA A 86 0.833 -14.617 -12.747 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.207 -15.564 -12.366 1.00 0.00 C ATOM 1319 C ALA A 86 -1.471 -14.840 -11.917 1.00 0.00 C ATOM 1320 O ALA A 86 -2.577 -15.182 -12.335 1.00 0.00 O ATOM 1321 CB ALA A 86 0.296 -16.484 -11.263 1.00 0.00 C ATOM 0 H ALA A 86 1.465 -14.357 -11.990 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.455 -16.165 -13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.491 -17.186 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.167 -17.035 -11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.573 -15.890 -10.392 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.301 -13.835 -11.062 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.438 -13.079 -10.571 1.00 0.00 C ATOM 1329 C GLY A 87 -2.056 -12.110 -9.469 1.00 0.00 C ATOM 1330 O GLY A 87 -0.981 -11.511 -9.504 1.00 0.00 O ATOM 0 H GLY A 87 -0.396 -13.532 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.888 -12.527 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.196 -13.768 -10.198 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.940 -11.954 -8.489 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.692 -11.048 -7.374 1.00 0.00 C ATOM 1336 C TYR A 88 -2.618 -11.813 -6.056 1.00 0.00 C ATOM 1337 O TYR A 88 -3.409 -12.721 -5.807 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.790 -9.986 -7.299 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.723 -8.966 -8.414 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.234 -9.251 -9.674 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.148 -7.718 -8.207 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.174 -8.322 -10.695 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.085 -6.783 -9.222 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.600 -7.090 -10.464 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.538 -6.162 -11.478 1.00 0.00 O ATOM 0 H TYR A 88 -3.834 -12.443 -8.445 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.733 -10.559 -7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.762 -10.478 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.720 -9.470 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.686 -10.215 -9.859 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.743 -7.475 -7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.575 -8.560 -11.669 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.635 -5.817 -9.044 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.330 -5.281 -11.103 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.660 -11.437 -5.214 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.500 -12.096 -3.931 1.00 0.00 C ATOM 1357 C GLY A 89 -2.255 -11.394 -2.820 1.00 0.00 C ATOM 1358 O GLY A 89 -2.766 -10.290 -3.007 1.00 0.00 O ATOM 0 H GLY A 89 -0.992 -10.688 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.849 -13.126 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.441 -12.137 -3.677 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.328 -12.036 -1.659 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.027 -11.468 -0.512 1.00 0.00 C ATOM 1364 C LYS A 90 -2.324 -10.208 -0.017 1.00 0.00 C ATOM 1365 O LYS A 90 -1.147 -9.990 -0.301 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.112 -12.495 0.619 1.00 0.00 C ATOM 1367 CG LYS A 90 -1.757 -12.918 1.161 1.00 0.00 C ATOM 1368 CD LYS A 90 -1.880 -14.094 2.114 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.161 -13.632 3.536 1.00 0.00 C ATOM 1370 NZ LYS A 90 -2.199 -14.773 4.493 1.00 0.00 N ATOM 0 H LYS A 90 -1.911 -12.951 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.035 -11.201 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.705 -12.078 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.641 -13.377 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.101 -13.187 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.292 -12.078 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.681 -14.753 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.959 -14.677 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.393 -12.923 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.113 -13.102 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.393 -14.417 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.949 -15.437 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.282 -15.263 4.485 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.055 -9.382 0.725 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.501 -8.144 1.260 1.00 0.00 C ATOM 1386 C PHE A 91 -1.733 -8.405 2.553 1.00 0.00 C ATOM 1387 O PHE A 91 -2.034 -9.346 3.287 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.618 -7.129 1.514 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.051 -6.393 0.278 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.314 -5.321 -0.200 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.194 -6.774 -0.406 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.711 -4.642 -1.337 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.595 -6.099 -1.544 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.852 -5.032 -2.010 1.00 0.00 C ATOM 0 H PHE A 91 -4.031 -9.548 0.969 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.809 -7.737 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.478 -7.646 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.280 -6.407 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.420 -5.013 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.778 -7.608 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.129 -3.807 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.488 -6.406 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.163 -4.504 -2.899 1.00 0.00 H new ATOM 1404 N SER A 92 -0.739 -7.565 2.824 1.00 0.00 N ATOM 1405 CA SER A 92 0.075 -7.707 4.025 1.00 0.00 C ATOM 1406 C SER A 92 -0.706 -7.282 5.265 1.00 0.00 C ATOM 1407 O SER A 92 -1.799 -6.726 5.163 1.00 0.00 O ATOM 1408 CB SER A 92 1.352 -6.872 3.902 1.00 0.00 C ATOM 1409 OG SER A 92 1.050 -5.493 3.786 1.00 0.00 O ATOM 0 H SER A 92 -0.478 -6.779 2.228 1.00 0.00 H new ATOM 0 HA SER A 92 0.344 -8.758 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.984 -7.037 4.775 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.921 -7.198 3.031 1.00 0.00 H new ATOM 0 HG SER A 92 1.811 -4.964 4.103 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.137 -7.550 6.436 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.793 -7.189 7.679 1.00 0.00 C ATOM 1417 C GLY A 93 -1.363 -5.785 7.648 1.00 0.00 C ATOM 1418 O GLY A 93 -0.636 -4.816 7.428 1.00 0.00 O ATOM 0 H GLY A 93 0.766 -8.011 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.595 -7.899 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.080 -7.270 8.499 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.669 -5.673 7.869 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.337 -4.378 7.865 1.00 0.00 C ATOM 1424 C LYS A 94 -2.725 -3.446 8.906 1.00 0.00 C ATOM 1425 O LYS A 94 -2.614 -3.801 10.079 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.833 -4.552 8.137 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.662 -4.745 6.879 1.00 0.00 C ATOM 1428 CD LYS A 94 -7.137 -4.912 7.203 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.978 -5.008 5.939 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.645 -6.222 5.143 1.00 0.00 N ATOM 0 H LYS A 94 -3.285 -6.465 8.053 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.202 -3.931 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.977 -5.411 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.200 -3.677 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.528 -3.888 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.306 -5.622 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.279 -5.810 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.476 -4.068 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.035 -5.027 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.820 -4.119 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.645 -5.984 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.704 -6.569 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.353 -6.961 5.325 1.00 0.00 H new ATOM 1444 N MET A 95 -2.332 -2.254 8.469 1.00 0.00 N ATOM 1445 CA MET A 95 -1.734 -1.272 9.366 1.00 0.00 C ATOM 1446 C MET A 95 -2.333 0.112 9.132 1.00 0.00 C ATOM 1447 O MET A 95 -3.236 0.277 8.312 1.00 0.00 O ATOM 1448 CB MET A 95 -0.218 -1.225 9.167 1.00 0.00 C ATOM 1449 CG MET A 95 0.204 -1.239 7.707 1.00 0.00 C ATOM 1450 SD MET A 95 1.993 -1.344 7.503 1.00 0.00 S ATOM 1451 CE MET A 95 2.376 -2.721 8.581 1.00 0.00 C ATOM 0 H MET A 95 -2.417 -1.945 7.501 1.00 0.00 H new ATOM 0 HA MET A 95 -1.949 -1.573 10.391 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.175 -0.326 9.642 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.234 -2.077 9.675 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.265 -2.085 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 95 -0.161 -0.336 7.218 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.293 -3.204 8.243 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.512 -2.359 9.600 1.00 0.00 H new ATOM 0 HE3 MET A 95 1.557 -3.440 8.558 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.823 1.102 9.857 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.309 2.471 9.729 1.00 0.00 C ATOM 1463 C CYS A 96 -1.159 3.468 9.838 1.00 0.00 C ATOM 1464 O CYS A 96 -0.302 3.350 10.713 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.357 2.765 10.803 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.666 3.088 12.442 1.00 0.00 S ATOM 0 H CYS A 96 -1.074 0.982 10.539 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.767 2.577 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.947 3.628 10.493 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.041 1.919 10.869 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.384 3.280 12.342 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.146 4.448 8.941 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.100 5.465 8.934 1.00 0.00 C ATOM 1474 C PHE A 97 -0.704 6.866 8.941 1.00 0.00 C ATOM 1475 O PHE A 97 -1.450 7.236 8.036 1.00 0.00 O ATOM 1476 CB PHE A 97 0.800 5.291 7.709 1.00 0.00 C ATOM 1477 CG PHE A 97 1.578 4.006 7.714 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.708 3.868 8.504 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.180 2.937 6.929 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.426 2.687 8.511 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.893 1.753 6.932 1.00 0.00 C ATOM 1482 CZ PHE A 97 3.019 1.629 7.724 1.00 0.00 C ATOM 0 H PHE A 97 -1.848 4.560 8.209 1.00 0.00 H new ATOM 0 HA PHE A 97 0.499 5.342 9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.187 5.331 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.497 6.128 7.658 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.031 4.693 9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.302 3.030 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.305 2.592 9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.571 0.926 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.579 0.706 7.727 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.374 7.640 9.971 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.885 9.000 10.097 1.00 0.00 C ATOM 1494 C GLN A 98 0.085 10.004 9.482 1.00 0.00 C ATOM 1495 O GLN A 98 1.281 9.738 9.365 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.126 9.342 11.568 1.00 0.00 C ATOM 1497 CG GLN A 98 0.061 9.035 12.467 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.004 9.771 13.791 1.00 0.00 C ATOM 1499 OE1 GLN A 98 0.811 10.652 14.065 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -0.977 9.414 14.621 1.00 0.00 N ATOM 0 H GLN A 98 0.244 7.349 10.729 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.831 9.058 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.369 10.401 11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.994 8.787 11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.102 7.962 12.654 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.982 9.305 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.631 8.678 14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.070 9.875 15.526 1.00 0.00 H new ATOM 1509 N THR A 99 -0.440 11.161 9.090 1.00 0.00 N ATOM 1510 CA THR A 99 0.378 12.205 8.485 1.00 0.00 C ATOM 1511 C THR A 99 0.951 13.138 9.545 1.00 0.00 C ATOM 1512 O THR A 99 0.757 12.927 10.743 1.00 0.00 O ATOM 1513 CB THR A 99 -0.430 13.035 7.470 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.559 13.635 8.115 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.903 12.166 6.315 1.00 0.00 C ATOM 0 H THR A 99 -1.428 11.398 9.181 1.00 0.00 H new ATOM 0 HA THR A 99 1.195 11.704 7.965 1.00 0.00 H new ATOM 0 HB THR A 99 0.219 13.816 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.261 13.808 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.471 12.774 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.040 11.734 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.537 11.366 6.697 1.00 0.00 H new ATOM 1523 N LEU A 100 1.657 14.171 9.099 1.00 0.00 N ATOM 1524 CA LEU A 100 2.259 15.138 10.010 1.00 0.00 C ATOM 1525 C LEU A 100 1.204 16.087 10.571 1.00 0.00 C ATOM 1526 O LEU A 100 0.422 16.676 9.824 1.00 0.00 O ATOM 1527 CB LEU A 100 3.348 15.936 9.293 1.00 0.00 C ATOM 1528 CG LEU A 100 4.697 15.233 9.128 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.431 15.169 10.459 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.504 13.837 8.555 1.00 0.00 C ATOM 0 H LEU A 100 1.827 14.361 8.111 1.00 0.00 H new ATOM 0 HA LEU A 100 2.706 14.589 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.979 16.208 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.509 16.865 9.840 1.00 0.00 H new ATOM 0 HG LEU A 100 5.303 15.810 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.388 14.666 10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.602 16.180 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.829 14.615 11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.474 13.352 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.879 13.250 9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.020 13.907 7.581 1.00 0.00 H new ATOM 1542 N THR A 101 1.188 16.231 11.892 1.00 0.00 N ATOM 1543 CA THR A 101 0.230 17.109 12.554 1.00 0.00 C ATOM 1544 C THR A 101 0.803 18.510 12.737 1.00 0.00 C ATOM 1545 O THR A 101 1.741 18.711 13.509 1.00 0.00 O ATOM 1546 CB THR A 101 -0.185 16.553 13.929 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.945 16.526 14.808 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.762 15.152 13.794 1.00 0.00 C ATOM 0 H THR A 101 1.828 15.751 12.525 1.00 0.00 H new ATOM 0 HA THR A 101 -0.648 17.160 11.911 1.00 0.00 H new ATOM 0 HB THR A 101 -0.952 17.207 14.344 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.633 17.139 14.475 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.048 14.780 14.778 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.639 15.181 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.013 14.490 13.360 1.00 0.00 H new ATOM 1556 N ASP A 102 0.234 19.475 12.023 1.00 0.00 N ATOM 1557 CA ASP A 102 0.688 20.858 12.108 1.00 0.00 C ATOM 1558 C ASP A 102 -0.135 21.637 13.129 1.00 0.00 C ATOM 1559 O ASP A 102 -1.129 22.275 12.784 1.00 0.00 O ATOM 1560 CB ASP A 102 0.596 21.533 10.739 1.00 0.00 C ATOM 1561 CG ASP A 102 1.011 22.990 10.782 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.230 23.260 10.769 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.116 23.861 10.831 1.00 0.00 O ATOM 0 H ASP A 102 -0.543 19.325 11.379 1.00 0.00 H new ATOM 0 HA ASP A 102 1.729 20.854 12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.229 20.999 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.427 21.461 10.370 1.00 0.00 H new