USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 934 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 ASN : amide:sc= -4.31 K(o=-6.2,f=-9.3!) USER MOD Set 1.2: A 45 ASN : amide:sc= -2.23 X(o=-6.2,f=-6) USER MOD Set 1.3: A 79 SER OG : rot -94:sc= 0.314 USER MOD Set 2.1: A 13 GLN : amide:sc= -9.29! C(o=-19!,f=-9.5!) USER MOD Set 2.2: A 14 GLN : amide:sc= -10.1! C(o=-19!,f=-11!) USER MOD Set 3.1: A 1 LYS N :NH3+ -118:sc= 0.0867 (180deg=0) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -149:sc= -0.0141 (180deg=-0.286) USER MOD Single : A 1 LYS NZ :NH3+ -179:sc= -2.38 (180deg=-2.39) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= -2.99! (180deg=-3.23!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.25! USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0.425 (180deg=0.134) USER MOD Single : A 28 SER OG : rot 80:sc= -0.31 USER MOD Single : A 29 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.03) USER MOD Single : A 31 MET CE :methyl -171:sc= -3.64! (180deg=-3.76!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 38 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.9!) USER MOD Single : A 39 CYS SG : rot 127:sc= -4.43! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4 K(o=-4,f=-1.9) USER MOD Single : A 53 THR OG1 : rot -26:sc= 0.317 USER MOD Single : A 57 SER OG : rot 180:sc= -0.883 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 67 LYS NZ :NH3+ -143:sc= -2.75! (180deg=-4.66!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.03 K(o=-1,f=-2.2) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 0.238 (180deg=0.115) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.09! K(o=-4.1!,f=-1.7) USER MOD Single : A 86 SER OG : rot 140:sc= -2.06! USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -1.94! C(o=-1.9!,f=-5!) USER MOD Single : A 92 ASN : amide:sc= -4.36! C(o=-4.4!,f=-4.8!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-2.7) USER MOD Single : A 103 LYS NZ :NH3+ -157:sc= -0.0279 (180deg=-0.472) USER MOD Single : A 104 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.043) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.721 10.507 -0.216 1.00 0.00 N ATOM 2 CA LYS A 1 -1.511 9.338 0.267 1.00 0.00 C ATOM 3 C LYS A 1 -2.818 9.248 -0.523 1.00 0.00 C ATOM 4 O LYS A 1 -3.226 10.188 -1.176 1.00 0.00 O ATOM 5 CB LYS A 1 -1.817 9.515 1.760 1.00 0.00 C ATOM 6 CG LYS A 1 -2.338 8.199 2.350 1.00 0.00 C ATOM 7 CD LYS A 1 -2.434 8.328 3.872 1.00 0.00 C ATOM 8 CE LYS A 1 -2.821 6.977 4.475 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.777 7.066 5.962 1.00 0.00 N ATOM 0 H1 LYS A 1 0.183 10.176 -0.610 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.257 11.008 -0.953 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.537 11.153 0.578 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.939 8.421 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.917 9.829 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.558 10.303 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.316 7.962 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.671 7.379 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.480 8.660 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.175 9.082 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.821 6.693 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.139 6.202 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.024 6.143 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.819 7.335 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.457 7.782 6.287 1.00 0.00 H new ATOM 25 N VAL A 2 -3.478 8.124 -0.472 1.00 0.00 N ATOM 26 CA VAL A 2 -4.756 7.976 -1.223 1.00 0.00 C ATOM 27 C VAL A 2 -5.812 8.905 -0.616 1.00 0.00 C ATOM 28 O VAL A 2 -5.635 9.444 0.458 1.00 0.00 O ATOM 29 CB VAL A 2 -5.224 6.519 -1.141 1.00 0.00 C ATOM 30 CG1 VAL A 2 -6.483 6.319 -2.000 1.00 0.00 C ATOM 31 CG2 VAL A 2 -4.104 5.607 -1.653 1.00 0.00 C ATOM 0 H VAL A 2 -3.188 7.302 0.057 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.606 8.245 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.462 6.272 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.807 5.280 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.278 6.971 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.258 6.564 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.428 4.568 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.872 5.861 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.214 5.743 -1.038 1.00 0.00 H new ATOM 41 N LYS A 3 -6.903 9.104 -1.301 1.00 0.00 N ATOM 42 CA LYS A 3 -7.965 10.007 -0.776 1.00 0.00 C ATOM 43 C LYS A 3 -8.359 9.591 0.644 1.00 0.00 C ATOM 44 O LYS A 3 -8.412 10.406 1.543 1.00 0.00 O ATOM 45 CB LYS A 3 -9.193 9.930 -1.685 1.00 0.00 C ATOM 46 CG LYS A 3 -8.869 10.571 -3.036 1.00 0.00 C ATOM 47 CD LYS A 3 -10.125 10.584 -3.910 1.00 0.00 C ATOM 48 CE LYS A 3 -9.876 11.444 -5.152 1.00 0.00 C ATOM 49 NZ LYS A 3 -11.135 11.552 -5.942 1.00 0.00 N ATOM 0 H LYS A 3 -7.106 8.678 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.583 11.028 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.490 8.891 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.035 10.442 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.504 11.588 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.073 10.015 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.386 9.568 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.970 10.979 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.532 12.436 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.088 11.002 -5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.966 12.136 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.444 10.603 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.874 11.992 -5.358 1.00 0.00 H new ATOM 63 N PHE A 4 -8.646 8.332 0.857 1.00 0.00 N ATOM 64 CA PHE A 4 -9.048 7.880 2.225 1.00 0.00 C ATOM 65 C PHE A 4 -7.809 7.622 3.082 1.00 0.00 C ATOM 66 O PHE A 4 -6.715 7.438 2.587 1.00 0.00 O ATOM 67 CB PHE A 4 -9.876 6.596 2.135 1.00 0.00 C ATOM 68 CG PHE A 4 -9.178 5.592 1.255 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.206 4.735 1.790 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.508 5.519 -0.098 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.564 3.808 0.957 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.871 4.596 -0.928 1.00 0.00 C ATOM 73 CZ PHE A 4 -7.900 3.741 -0.405 1.00 0.00 C ATOM 0 H PHE A 4 -8.620 7.600 0.147 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.648 8.666 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.023 6.178 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.864 6.819 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.953 4.789 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.259 6.179 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.812 3.147 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.129 4.543 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.407 3.027 -1.048 1.00 0.00 H new ATOM 83 N THR A 5 -7.987 7.613 4.375 1.00 0.00 N ATOM 84 CA THR A 5 -6.859 7.377 5.311 1.00 0.00 C ATOM 85 C THR A 5 -6.668 5.871 5.522 1.00 0.00 C ATOM 86 O THR A 5 -7.548 5.074 5.267 1.00 0.00 O ATOM 87 CB THR A 5 -7.188 8.053 6.642 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.093 9.462 6.492 1.00 0.00 O ATOM 89 CG2 THR A 5 -6.223 7.590 7.731 1.00 0.00 C ATOM 0 H THR A 5 -8.888 7.763 4.828 1.00 0.00 H new ATOM 0 HA THR A 5 -5.937 7.790 4.901 1.00 0.00 H new ATOM 0 HB THR A 5 -8.202 7.779 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.305 9.897 7.344 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.472 8.082 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.304 6.510 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.203 7.847 7.447 1.00 0.00 H new ATOM 97 N GLU A 6 -5.516 5.490 5.991 1.00 0.00 N ATOM 98 CA GLU A 6 -5.239 4.043 6.234 1.00 0.00 C ATOM 99 C GLU A 6 -6.363 3.441 7.083 1.00 0.00 C ATOM 100 O GLU A 6 -6.855 2.370 6.800 1.00 0.00 O ATOM 101 CB GLU A 6 -3.895 3.890 6.958 1.00 0.00 C ATOM 102 CG GLU A 6 -3.974 4.525 8.353 1.00 0.00 C ATOM 103 CD GLU A 6 -2.563 4.694 8.924 1.00 0.00 C ATOM 104 OE1 GLU A 6 -1.672 3.994 8.467 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.396 5.520 9.806 1.00 0.00 O ATOM 0 H GLU A 6 -4.747 6.120 6.219 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.191 3.517 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.637 2.834 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.104 4.365 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.472 5.493 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.572 3.899 9.015 1.00 0.00 H new ATOM 112 N GLU A 7 -6.783 4.126 8.115 1.00 0.00 N ATOM 113 CA GLU A 7 -7.879 3.606 8.977 1.00 0.00 C ATOM 114 C GLU A 7 -9.039 3.134 8.088 1.00 0.00 C ATOM 115 O GLU A 7 -9.675 2.123 8.341 1.00 0.00 O ATOM 116 CB GLU A 7 -8.361 4.734 9.895 1.00 0.00 C ATOM 117 CG GLU A 7 -9.256 4.153 10.988 1.00 0.00 C ATOM 118 CD GLU A 7 -9.928 5.291 11.759 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.239 5.959 12.512 1.00 0.00 O ATOM 120 OE2 GLU A 7 -11.123 5.475 11.583 1.00 0.00 O ATOM 0 H GLU A 7 -6.408 5.032 8.398 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.521 2.770 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.507 5.244 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.910 5.478 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.012 3.503 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.665 3.539 11.668 1.00 0.00 H new ATOM 127 N GLU A 8 -9.301 3.843 7.026 1.00 0.00 N ATOM 128 CA GLU A 8 -10.389 3.422 6.117 1.00 0.00 C ATOM 129 C GLU A 8 -9.903 2.173 5.387 1.00 0.00 C ATOM 130 O GLU A 8 -10.643 1.232 5.191 1.00 0.00 O ATOM 131 CB GLU A 8 -10.692 4.571 5.127 1.00 0.00 C ATOM 132 CG GLU A 8 -12.038 5.234 5.456 1.00 0.00 C ATOM 133 CD GLU A 8 -11.962 5.884 6.838 1.00 0.00 C ATOM 134 OE1 GLU A 8 -10.859 6.063 7.328 1.00 0.00 O ATOM 135 OE2 GLU A 8 -13.009 6.194 7.384 1.00 0.00 O ATOM 0 H GLU A 8 -8.807 4.693 6.753 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.309 3.198 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.895 5.314 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.712 4.184 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.280 5.984 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.836 4.492 5.435 1.00 0.00 H new ATOM 142 N ASP A 9 -8.648 2.148 5.004 1.00 0.00 N ATOM 143 CA ASP A 9 -8.110 0.933 4.307 1.00 0.00 C ATOM 144 C ASP A 9 -8.490 -0.309 5.124 1.00 0.00 C ATOM 145 O ASP A 9 -8.687 -1.393 4.604 1.00 0.00 O ATOM 146 CB ASP A 9 -6.584 1.026 4.190 1.00 0.00 C ATOM 147 CG ASP A 9 -6.084 -0.031 3.203 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.192 -1.204 3.518 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.608 0.352 2.150 1.00 0.00 O ATOM 0 H ASP A 9 -7.979 2.906 5.141 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.533 0.867 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.294 2.021 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.124 0.874 5.166 1.00 0.00 H new ATOM 154 N LEU A 10 -8.631 -0.145 6.405 1.00 0.00 N ATOM 155 CA LEU A 10 -9.036 -1.292 7.254 1.00 0.00 C ATOM 156 C LEU A 10 -10.510 -1.553 6.965 1.00 0.00 C ATOM 157 O LEU A 10 -10.957 -2.683 6.861 1.00 0.00 O ATOM 158 CB LEU A 10 -8.827 -0.943 8.739 1.00 0.00 C ATOM 159 CG LEU A 10 -7.553 -0.109 8.895 1.00 0.00 C ATOM 160 CD1 LEU A 10 -7.301 0.170 10.376 1.00 0.00 C ATOM 161 CD2 LEU A 10 -6.359 -0.864 8.300 1.00 0.00 C ATOM 0 H LEU A 10 -8.483 0.734 6.901 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.439 -2.178 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.686 -0.388 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.751 -1.855 9.330 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.676 0.836 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.394 0.764 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.146 0.719 10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.183 -0.773 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.456 -0.265 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.233 -1.813 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.538 -1.052 7.241 1.00 0.00 H new ATOM 173 N LYS A 11 -11.266 -0.499 6.795 1.00 0.00 N ATOM 174 CA LYS A 11 -12.707 -0.663 6.476 1.00 0.00 C ATOM 175 C LYS A 11 -12.824 -1.557 5.234 1.00 0.00 C ATOM 176 O LYS A 11 -13.656 -2.438 5.169 1.00 0.00 O ATOM 177 CB LYS A 11 -13.329 0.722 6.214 1.00 0.00 C ATOM 178 CG LYS A 11 -14.833 0.683 6.494 1.00 0.00 C ATOM 179 CD LYS A 11 -15.468 2.022 6.099 1.00 0.00 C ATOM 180 CE LYS A 11 -16.893 2.102 6.656 1.00 0.00 C ATOM 181 NZ LYS A 11 -17.588 0.801 6.440 1.00 0.00 N ATOM 0 H LYS A 11 -10.944 0.466 6.864 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.240 -1.127 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.852 1.469 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.151 1.020 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.296 -0.129 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.011 0.483 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.870 2.847 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.485 2.121 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.866 2.339 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.442 2.905 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.495 0.803 6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.762 0.665 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.993 0.026 6.796 1.00 0.00 H new ATOM 195 N LEU A 12 -11.970 -1.354 4.261 1.00 0.00 N ATOM 196 CA LEU A 12 -12.008 -2.208 3.045 1.00 0.00 C ATOM 197 C LEU A 12 -11.857 -3.663 3.484 1.00 0.00 C ATOM 198 O LEU A 12 -12.516 -4.540 2.988 1.00 0.00 O ATOM 199 CB LEU A 12 -10.839 -1.843 2.116 1.00 0.00 C ATOM 200 CG LEU A 12 -11.190 -0.632 1.248 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.599 0.539 2.140 1.00 0.00 C ATOM 202 CD2 LEU A 12 -9.964 -0.240 0.412 1.00 0.00 C ATOM 0 H LEU A 12 -11.250 -0.632 4.261 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.948 -2.059 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.951 -1.625 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.596 -2.694 1.479 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.019 -0.884 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.848 1.400 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.468 0.257 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.773 0.797 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.207 0.622 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.137 0.012 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.676 -1.076 -0.225 1.00 0.00 H new ATOM 214 N GLN A 13 -10.990 -3.932 4.416 1.00 0.00 N ATOM 215 CA GLN A 13 -10.818 -5.348 4.850 1.00 0.00 C ATOM 216 C GLN A 13 -12.190 -5.925 5.222 1.00 0.00 C ATOM 217 O GLN A 13 -12.498 -7.061 4.920 1.00 0.00 O ATOM 218 CB GLN A 13 -9.883 -5.395 6.067 1.00 0.00 C ATOM 219 CG GLN A 13 -9.444 -6.839 6.351 1.00 0.00 C ATOM 220 CD GLN A 13 -10.608 -7.631 6.951 1.00 0.00 C ATOM 221 OE1 GLN A 13 -11.167 -8.495 6.307 1.00 0.00 O ATOM 222 NE2 GLN A 13 -10.997 -7.373 8.170 1.00 0.00 N ATOM 0 H GLN A 13 -10.401 -3.248 4.891 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.383 -5.937 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.008 -4.771 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.391 -4.985 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.107 -7.313 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.598 -6.842 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.528 -6.647 8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.770 -7.897 8.580 1.00 0.00 H new ATOM 231 N GLN A 14 -13.026 -5.148 5.855 1.00 0.00 N ATOM 232 CA GLN A 14 -14.386 -5.664 6.230 1.00 0.00 C ATOM 233 C GLN A 14 -15.355 -5.565 5.042 1.00 0.00 C ATOM 234 O GLN A 14 -16.014 -6.521 4.688 1.00 0.00 O ATOM 235 CB GLN A 14 -14.958 -4.841 7.383 1.00 0.00 C ATOM 236 CG GLN A 14 -14.184 -5.119 8.682 1.00 0.00 C ATOM 237 CD GLN A 14 -12.827 -4.414 8.642 1.00 0.00 C ATOM 238 OE1 GLN A 14 -12.749 -3.244 8.328 1.00 0.00 O ATOM 239 NE2 GLN A 14 -11.751 -5.079 8.959 1.00 0.00 N ATOM 0 H GLN A 14 -12.834 -4.185 6.130 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.276 -6.707 6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.904 -3.780 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.012 -5.083 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.759 -4.770 9.540 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.042 -6.192 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.818 -6.062 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.842 -4.616 8.943 1.00 0.00 H new ATOM 248 N LEU A 15 -15.470 -4.416 4.440 1.00 0.00 N ATOM 249 CA LEU A 15 -16.418 -4.277 3.301 1.00 0.00 C ATOM 250 C LEU A 15 -16.022 -5.259 2.207 1.00 0.00 C ATOM 251 O LEU A 15 -16.806 -6.079 1.773 1.00 0.00 O ATOM 252 CB LEU A 15 -16.363 -2.846 2.757 1.00 0.00 C ATOM 253 CG LEU A 15 -16.631 -1.839 3.886 1.00 0.00 C ATOM 254 CD1 LEU A 15 -16.378 -0.421 3.363 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.088 -1.954 4.377 1.00 0.00 C ATOM 0 H LEU A 15 -14.952 -3.572 4.685 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.433 -4.490 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.386 -2.655 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.102 -2.721 1.965 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.964 -2.054 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.566 0.299 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.343 -0.334 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.045 -0.218 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.260 -1.234 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.768 -1.748 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.267 -2.962 4.752 1.00 0.00 H new ATOM 267 N VAL A 16 -14.804 -5.186 1.769 1.00 0.00 N ATOM 268 CA VAL A 16 -14.334 -6.111 0.711 1.00 0.00 C ATOM 269 C VAL A 16 -14.545 -7.551 1.174 1.00 0.00 C ATOM 270 O VAL A 16 -14.817 -8.426 0.378 1.00 0.00 O ATOM 271 CB VAL A 16 -12.852 -5.866 0.437 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.409 -6.728 -0.742 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.638 -4.387 0.097 1.00 0.00 C ATOM 0 H VAL A 16 -14.107 -4.519 2.101 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.898 -5.938 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.267 -6.126 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.351 -6.556 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.567 -7.780 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.992 -6.465 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.581 -4.208 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.220 -4.129 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.961 -3.770 0.936 1.00 0.00 H new ATOM 283 N MET A 17 -14.441 -7.815 2.452 1.00 0.00 N ATOM 284 CA MET A 17 -14.662 -9.202 2.916 1.00 0.00 C ATOM 285 C MET A 17 -16.134 -9.557 2.670 1.00 0.00 C ATOM 286 O MET A 17 -16.474 -10.695 2.416 1.00 0.00 O ATOM 287 CB MET A 17 -14.313 -9.304 4.407 1.00 0.00 C ATOM 288 CG MET A 17 -14.831 -10.621 4.985 1.00 0.00 C ATOM 289 SD MET A 17 -14.062 -10.919 6.596 1.00 0.00 S ATOM 290 CE MET A 17 -14.965 -12.434 7.002 1.00 0.00 C ATOM 0 H MET A 17 -14.216 -7.136 3.179 1.00 0.00 H new ATOM 0 HA MET A 17 -14.026 -9.901 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.233 -9.241 4.540 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.750 -8.465 4.948 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.915 -10.583 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.605 -11.442 4.305 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.642 -12.800 7.976 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.034 -12.224 7.030 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.764 -13.192 6.245 1.00 0.00 H new ATOM 300 N ARG A 18 -17.010 -8.584 2.737 1.00 0.00 N ATOM 301 CA ARG A 18 -18.458 -8.862 2.498 1.00 0.00 C ATOM 302 C ARG A 18 -18.735 -8.911 0.990 1.00 0.00 C ATOM 303 O ARG A 18 -19.591 -9.641 0.534 1.00 0.00 O ATOM 304 CB ARG A 18 -19.298 -7.749 3.130 1.00 0.00 C ATOM 305 CG ARG A 18 -20.779 -8.122 3.055 1.00 0.00 C ATOM 306 CD ARG A 18 -21.609 -7.071 3.793 1.00 0.00 C ATOM 307 NE ARG A 18 -23.039 -7.491 3.815 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.937 -6.725 4.370 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.585 -5.588 4.908 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.189 -7.095 4.389 1.00 0.00 N ATOM 0 H ARG A 18 -16.784 -7.612 2.947 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.719 -9.821 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.002 -7.600 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.123 -6.807 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.096 -8.186 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.940 -9.105 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.239 -6.950 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.511 -6.103 3.301 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.316 -8.379 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.607 -5.298 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.288 -4.990 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.465 -7.983 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -25.891 -6.496 4.823 1.00 0.00 H new ATOM 324 N TYR A 19 -18.018 -8.135 0.210 1.00 0.00 N ATOM 325 CA TYR A 19 -18.236 -8.127 -1.273 1.00 0.00 C ATOM 326 C TYR A 19 -17.213 -9.045 -1.945 1.00 0.00 C ATOM 327 O TYR A 19 -17.244 -9.256 -3.141 1.00 0.00 O ATOM 328 CB TYR A 19 -18.055 -6.700 -1.799 1.00 0.00 C ATOM 329 CG TYR A 19 -19.060 -5.793 -1.119 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.422 -5.940 -1.398 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.636 -4.822 -0.200 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.360 -5.122 -0.760 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.576 -4.001 0.434 1.00 0.00 C ATOM 334 CZ TYR A 19 -20.938 -4.153 0.155 1.00 0.00 C ATOM 335 OH TYR A 19 -21.864 -3.346 0.785 1.00 0.00 O ATOM 0 H TYR A 19 -17.287 -7.504 0.539 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.243 -8.480 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.041 -6.352 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.197 -6.676 -2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.750 -6.686 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.585 -4.708 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.412 -5.239 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.250 -3.250 1.138 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.402 -2.728 1.390 1.00 0.00 H new ATOM 345 N GLY A 20 -16.307 -9.587 -1.182 1.00 0.00 N ATOM 346 CA GLY A 20 -15.274 -10.489 -1.762 1.00 0.00 C ATOM 347 C GLY A 20 -14.188 -9.645 -2.424 1.00 0.00 C ATOM 348 O GLY A 20 -13.072 -9.587 -1.955 1.00 0.00 O ATOM 0 H GLY A 20 -16.237 -9.443 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.841 -11.115 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.727 -11.159 -2.493 1.00 0.00 H new ATOM 352 N ALA A 21 -14.532 -8.991 -3.507 1.00 0.00 N ATOM 353 CA ALA A 21 -13.564 -8.119 -4.258 1.00 0.00 C ATOM 354 C ALA A 21 -14.049 -7.989 -5.712 1.00 0.00 C ATOM 355 O ALA A 21 -13.309 -8.220 -6.649 1.00 0.00 O ATOM 356 CB ALA A 21 -12.143 -8.729 -4.235 1.00 0.00 C ATOM 0 H ALA A 21 -15.466 -9.024 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.520 -7.139 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.460 -8.081 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.804 -8.822 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.162 -9.714 -4.701 1.00 0.00 H new ATOM 362 N LYS A 22 -15.292 -7.631 -5.913 1.00 0.00 N ATOM 363 CA LYS A 22 -15.815 -7.501 -7.315 1.00 0.00 C ATOM 364 C LYS A 22 -16.932 -6.447 -7.404 1.00 0.00 C ATOM 365 O LYS A 22 -17.292 -6.026 -8.486 1.00 0.00 O ATOM 366 CB LYS A 22 -16.358 -8.854 -7.773 1.00 0.00 C ATOM 367 CG LYS A 22 -17.532 -9.267 -6.881 1.00 0.00 C ATOM 368 CD LYS A 22 -17.905 -10.723 -7.168 1.00 0.00 C ATOM 369 CE LYS A 22 -19.024 -11.160 -6.220 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.508 -11.188 -4.822 1.00 0.00 N ATOM 0 H LYS A 22 -15.966 -7.424 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.996 -7.181 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.682 -8.794 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.571 -9.607 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.263 -9.150 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.388 -8.618 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.229 -10.829 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.034 -11.365 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.867 -10.473 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.391 -12.147 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.177 -11.703 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.585 -11.666 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.401 -10.215 -4.472 1.00 0.00 H new ATOM 384 N ASP A 23 -17.481 -6.011 -6.291 1.00 0.00 N ATOM 385 CA ASP A 23 -18.569 -4.979 -6.324 1.00 0.00 C ATOM 386 C ASP A 23 -17.997 -3.648 -5.840 1.00 0.00 C ATOM 387 O ASP A 23 -18.564 -2.981 -4.999 1.00 0.00 O ATOM 388 CB ASP A 23 -19.710 -5.413 -5.396 1.00 0.00 C ATOM 389 CG ASP A 23 -20.057 -6.878 -5.666 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.416 -7.185 -6.791 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.957 -7.670 -4.743 1.00 0.00 O ATOM 0 H ASP A 23 -17.220 -6.328 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.952 -4.872 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.415 -5.284 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.585 -4.785 -5.560 1.00 0.00 H new ATOM 396 N TRP A 24 -16.871 -3.264 -6.369 1.00 0.00 N ATOM 397 CA TRP A 24 -16.246 -1.980 -5.948 1.00 0.00 C ATOM 398 C TRP A 24 -17.166 -0.819 -6.308 1.00 0.00 C ATOM 399 O TRP A 24 -17.187 0.195 -5.642 1.00 0.00 O ATOM 400 CB TRP A 24 -14.902 -1.813 -6.658 1.00 0.00 C ATOM 401 CG TRP A 24 -14.043 -2.984 -6.335 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.849 -4.066 -7.123 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.269 -3.203 -5.136 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.991 -4.938 -6.472 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.608 -4.444 -5.239 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.082 -2.440 -3.981 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.782 -4.913 -4.216 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.257 -2.899 -2.953 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.605 -4.134 -3.068 1.00 0.00 C ATOM 0 H TRP A 24 -16.354 -3.785 -7.077 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.088 -1.989 -4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.050 -1.739 -7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.418 -0.890 -6.339 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.289 -4.224 -8.097 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.681 -5.831 -6.854 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.580 -1.487 -3.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.285 -5.867 -4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.121 -2.300 -2.065 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.966 -4.484 -2.271 1.00 0.00 H new ATOM 420 N ILE A 25 -17.930 -0.955 -7.352 1.00 0.00 N ATOM 421 CA ILE A 25 -18.846 0.139 -7.742 1.00 0.00 C ATOM 422 C ILE A 25 -19.836 0.347 -6.608 1.00 0.00 C ATOM 423 O ILE A 25 -20.314 1.436 -6.374 1.00 0.00 O ATOM 424 CB ILE A 25 -19.597 -0.250 -9.022 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.061 -1.708 -8.924 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.672 -0.096 -10.232 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.026 -2.014 -10.071 1.00 0.00 C ATOM 0 H ILE A 25 -17.957 -1.780 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.287 1.056 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.462 0.403 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.202 -2.378 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.551 -1.881 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.210 -0.373 -11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.342 0.940 -10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.805 -0.745 -10.112 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.356 -3.050 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.890 -1.353 -10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.520 -1.857 -11.024 1.00 0.00 H new ATOM 439 N ARG A 26 -20.141 -0.697 -5.892 1.00 0.00 N ATOM 440 CA ARG A 26 -21.094 -0.573 -4.766 1.00 0.00 C ATOM 441 C ARG A 26 -20.346 0.029 -3.577 1.00 0.00 C ATOM 442 O ARG A 26 -20.772 0.997 -2.979 1.00 0.00 O ATOM 443 CB ARG A 26 -21.647 -1.970 -4.410 1.00 0.00 C ATOM 444 CG ARG A 26 -23.050 -1.855 -3.790 1.00 0.00 C ATOM 445 CD ARG A 26 -23.023 -0.895 -2.597 1.00 0.00 C ATOM 446 NE ARG A 26 -24.264 -1.072 -1.792 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.421 -2.141 -1.058 1.00 0.00 C ATOM 448 NH1 ARG A 26 -23.490 -3.054 -1.028 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.509 -2.295 -0.353 1.00 0.00 N ATOM 0 H ARG A 26 -19.767 -1.634 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.932 0.070 -5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.689 -2.590 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.974 -2.466 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.758 -1.498 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.395 -2.838 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.145 -1.088 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.946 0.135 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.992 -0.358 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.639 -2.933 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -23.613 -3.889 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.237 -1.580 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.631 -3.130 0.220 1.00 0.00 H new ATOM 463 N ILE A 27 -19.226 -0.537 -3.237 1.00 0.00 N ATOM 464 CA ILE A 27 -18.445 -0.001 -2.098 1.00 0.00 C ATOM 465 C ILE A 27 -18.143 1.478 -2.333 1.00 0.00 C ATOM 466 O ILE A 27 -18.098 2.268 -1.410 1.00 0.00 O ATOM 467 CB ILE A 27 -17.126 -0.765 -1.978 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.428 -2.251 -1.767 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.331 -0.223 -0.787 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.134 -3.070 -1.847 1.00 0.00 C ATOM 0 H ILE A 27 -18.818 -1.349 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.024 -0.117 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.539 -0.638 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.902 -2.399 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.134 -2.597 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.390 -0.767 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.125 0.837 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.911 -0.353 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.361 -4.125 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.678 -2.934 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.442 -2.733 -1.075 1.00 0.00 H new ATOM 482 N SER A 28 -17.924 1.855 -3.561 1.00 0.00 N ATOM 483 CA SER A 28 -17.610 3.278 -3.860 1.00 0.00 C ATOM 484 C SER A 28 -18.882 4.119 -3.751 1.00 0.00 C ATOM 485 O SER A 28 -18.835 5.290 -3.435 1.00 0.00 O ATOM 486 CB SER A 28 -17.035 3.380 -5.271 1.00 0.00 C ATOM 487 OG SER A 28 -15.736 2.803 -5.290 1.00 0.00 O ATOM 0 H SER A 28 -17.949 1.237 -4.372 1.00 0.00 H new ATOM 0 HA SER A 28 -16.878 3.651 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.685 2.866 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.987 4.423 -5.582 1.00 0.00 H new ATOM 0 HG SER A 28 -15.812 1.827 -5.338 1.00 0.00 H new ATOM 493 N GLN A 29 -20.021 3.535 -4.003 1.00 0.00 N ATOM 494 CA GLN A 29 -21.287 4.317 -3.903 1.00 0.00 C ATOM 495 C GLN A 29 -21.488 4.739 -2.447 1.00 0.00 C ATOM 496 O GLN A 29 -21.835 5.868 -2.160 1.00 0.00 O ATOM 497 CB GLN A 29 -22.467 3.451 -4.380 1.00 0.00 C ATOM 498 CG GLN A 29 -22.524 3.434 -5.924 1.00 0.00 C ATOM 499 CD GLN A 29 -23.276 4.667 -6.438 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.444 4.589 -6.764 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.649 5.808 -6.526 1.00 0.00 N ATOM 0 H GLN A 29 -20.131 2.557 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.233 5.205 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.359 2.435 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.401 3.843 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.514 3.418 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.021 2.526 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.669 5.874 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -23.139 6.634 -6.868 1.00 0.00 H new ATOM 510 N LEU A 30 -21.257 3.847 -1.526 1.00 0.00 N ATOM 511 CA LEU A 30 -21.417 4.209 -0.091 1.00 0.00 C ATOM 512 C LEU A 30 -20.264 5.135 0.301 1.00 0.00 C ATOM 513 O LEU A 30 -20.448 6.120 0.988 1.00 0.00 O ATOM 514 CB LEU A 30 -21.384 2.936 0.770 1.00 0.00 C ATOM 515 CG LEU A 30 -22.182 1.822 0.085 1.00 0.00 C ATOM 516 CD1 LEU A 30 -22.230 0.599 1.003 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.610 2.306 -0.199 1.00 0.00 C ATOM 0 H LEU A 30 -20.965 2.886 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.370 4.712 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.353 2.616 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.802 3.142 1.755 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.700 1.556 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.797 -0.197 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.216 0.253 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.712 0.868 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.174 1.510 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.097 2.574 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.575 3.178 -0.852 1.00 0.00 H new ATOM 529 N MET A 31 -19.075 4.816 -0.147 1.00 0.00 N ATOM 530 CA MET A 31 -17.872 5.653 0.168 1.00 0.00 C ATOM 531 C MET A 31 -17.431 6.402 -1.093 1.00 0.00 C ATOM 532 O MET A 31 -16.366 6.164 -1.627 1.00 0.00 O ATOM 533 CB MET A 31 -16.735 4.741 0.636 1.00 0.00 C ATOM 534 CG MET A 31 -17.069 4.176 2.018 1.00 0.00 C ATOM 535 SD MET A 31 -15.882 2.876 2.440 1.00 0.00 S ATOM 536 CE MET A 31 -14.610 3.948 3.150 1.00 0.00 C ATOM 0 H MET A 31 -18.883 3.999 -0.727 1.00 0.00 H new ATOM 0 HA MET A 31 -18.118 6.369 0.952 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.590 3.928 -0.076 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.800 5.299 0.676 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.037 4.969 2.765 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.082 3.774 2.023 1.00 0.00 H new ATOM 0 HE1 MET A 31 -13.707 3.367 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 31 -14.385 4.756 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 31 -14.971 4.368 4.089 1.00 0.00 H new ATOM 546 N ILE A 32 -18.237 7.308 -1.571 1.00 0.00 N ATOM 547 CA ILE A 32 -17.860 8.076 -2.792 1.00 0.00 C ATOM 548 C ILE A 32 -16.522 8.777 -2.548 1.00 0.00 C ATOM 549 O ILE A 32 -15.914 9.318 -3.451 1.00 0.00 O ATOM 550 CB ILE A 32 -18.938 9.127 -3.074 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.274 9.861 -1.771 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.197 8.442 -3.612 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.140 11.080 -2.081 1.00 0.00 C ATOM 0 H ILE A 32 -19.142 7.551 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.772 7.401 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.571 9.837 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.800 9.192 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.357 10.171 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -20.962 9.192 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.958 7.913 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.569 7.732 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.379 11.602 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.598 11.752 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.062 10.758 -2.564 1.00 0.00 H new ATOM 565 N THR A 33 -16.069 8.776 -1.327 1.00 0.00 N ATOM 566 CA THR A 33 -14.778 9.445 -0.998 1.00 0.00 C ATOM 567 C THR A 33 -13.688 9.006 -1.982 1.00 0.00 C ATOM 568 O THR A 33 -12.654 9.635 -2.087 1.00 0.00 O ATOM 569 CB THR A 33 -14.371 9.077 0.435 1.00 0.00 C ATOM 570 OG1 THR A 33 -15.334 9.594 1.343 1.00 0.00 O ATOM 571 CG2 THR A 33 -12.997 9.674 0.757 1.00 0.00 C ATOM 0 H THR A 33 -16.540 8.337 -0.536 1.00 0.00 H new ATOM 0 HA THR A 33 -14.900 10.525 -1.077 1.00 0.00 H new ATOM 0 HB THR A 33 -14.320 7.992 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.078 9.359 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.715 9.409 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.257 9.280 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.041 10.759 0.664 1.00 0.00 H new ATOM 579 N ARG A 34 -13.904 7.940 -2.712 1.00 0.00 N ATOM 580 CA ARG A 34 -12.866 7.489 -3.690 1.00 0.00 C ATOM 581 C ARG A 34 -13.505 6.636 -4.786 1.00 0.00 C ATOM 582 O ARG A 34 -14.662 6.271 -4.714 1.00 0.00 O ATOM 583 CB ARG A 34 -11.775 6.682 -2.976 1.00 0.00 C ATOM 584 CG ARG A 34 -12.377 5.515 -2.169 1.00 0.00 C ATOM 585 CD ARG A 34 -13.033 6.003 -0.859 1.00 0.00 C ATOM 586 NE ARG A 34 -12.941 4.922 0.162 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.622 3.819 0.010 1.00 0.00 C ATOM 588 NH1 ARG A 34 -14.392 3.664 -1.031 1.00 0.00 N ATOM 589 NH2 ARG A 34 -13.536 2.871 0.903 1.00 0.00 N ATOM 0 H ARG A 34 -14.747 7.367 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.415 8.371 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.069 6.293 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.214 7.336 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.119 4.998 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.595 4.792 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.533 6.903 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.076 6.266 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.345 5.044 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.463 4.405 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.924 2.801 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.937 2.992 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.068 2.009 0.784 1.00 0.00 H new ATOM 603 N ASN A 35 -12.754 6.330 -5.815 1.00 0.00 N ATOM 604 CA ASN A 35 -13.294 5.512 -6.945 1.00 0.00 C ATOM 605 C ASN A 35 -13.055 4.021 -6.661 1.00 0.00 C ATOM 606 O ASN A 35 -12.197 3.666 -5.880 1.00 0.00 O ATOM 607 CB ASN A 35 -12.565 5.940 -8.245 1.00 0.00 C ATOM 608 CG ASN A 35 -13.357 7.039 -8.965 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.689 8.050 -8.378 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.674 6.883 -10.221 1.00 0.00 N ATOM 0 H ASN A 35 -11.780 6.615 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.366 5.672 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.564 6.301 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.445 5.079 -8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.199 7.609 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.396 6.035 -10.716 1.00 0.00 H new ATOM 617 N PRO A 36 -13.810 3.149 -7.290 1.00 0.00 N ATOM 618 CA PRO A 36 -13.660 1.677 -7.090 1.00 0.00 C ATOM 619 C PRO A 36 -12.220 1.212 -7.348 1.00 0.00 C ATOM 620 O PRO A 36 -11.661 0.440 -6.595 1.00 0.00 O ATOM 621 CB PRO A 36 -14.645 1.052 -8.112 1.00 0.00 C ATOM 622 CG PRO A 36 -14.997 2.159 -9.062 1.00 0.00 C ATOM 623 CD PRO A 36 -14.883 3.451 -8.256 1.00 0.00 C ATOM 0 HA PRO A 36 -13.876 1.378 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.185 0.215 -8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.534 0.666 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.321 2.170 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.006 2.031 -9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.628 4.300 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.819 3.697 -7.755 1.00 0.00 H new ATOM 631 N ARG A 37 -11.624 1.674 -8.410 1.00 0.00 N ATOM 632 CA ARG A 37 -10.230 1.260 -8.724 1.00 0.00 C ATOM 633 C ARG A 37 -9.295 1.673 -7.585 1.00 0.00 C ATOM 634 O ARG A 37 -8.269 1.065 -7.362 1.00 0.00 O ATOM 635 CB ARG A 37 -9.780 1.938 -10.020 1.00 0.00 C ATOM 636 CG ARG A 37 -10.722 1.541 -11.159 1.00 0.00 C ATOM 637 CD ARG A 37 -10.324 2.284 -12.435 1.00 0.00 C ATOM 638 NE ARG A 37 -11.374 2.087 -13.473 1.00 0.00 N ATOM 639 CZ ARG A 37 -11.514 0.923 -14.047 1.00 0.00 C ATOM 640 NH1 ARG A 37 -10.736 -0.071 -13.711 1.00 0.00 N ATOM 641 NH2 ARG A 37 -12.434 0.751 -14.957 1.00 0.00 N ATOM 0 H ARG A 37 -12.044 2.323 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.195 0.177 -8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.780 3.021 -9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.758 1.645 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.677 0.464 -11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.752 1.780 -10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.199 3.346 -12.226 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.365 1.916 -12.799 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.984 2.862 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.018 0.062 -12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.847 -0.980 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.043 1.526 -15.219 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.544 -0.158 -15.406 1.00 0.00 H new ATOM 655 N GLN A 38 -9.633 2.712 -6.870 1.00 0.00 N ATOM 656 CA GLN A 38 -8.751 3.169 -5.757 1.00 0.00 C ATOM 657 C GLN A 38 -8.798 2.176 -4.595 1.00 0.00 C ATOM 658 O GLN A 38 -7.776 1.819 -4.044 1.00 0.00 O ATOM 659 CB GLN A 38 -9.211 4.541 -5.266 1.00 0.00 C ATOM 660 CG GLN A 38 -9.189 5.542 -6.426 1.00 0.00 C ATOM 661 CD GLN A 38 -7.742 5.884 -6.785 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.820 5.447 -6.126 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.502 6.656 -7.809 1.00 0.00 N ATOM 0 H GLN A 38 -10.480 3.263 -7.008 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.728 3.233 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.217 4.471 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.560 4.887 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.699 5.121 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.729 6.447 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.276 7.023 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.541 6.892 -8.056 1.00 0.00 H new ATOM 672 N CYS A 39 -9.960 1.716 -4.208 1.00 0.00 N ATOM 673 CA CYS A 39 -10.013 0.749 -3.086 1.00 0.00 C ATOM 674 C CYS A 39 -9.462 -0.581 -3.583 1.00 0.00 C ATOM 675 O CYS A 39 -8.889 -1.353 -2.840 1.00 0.00 O ATOM 676 CB CYS A 39 -11.458 0.577 -2.635 1.00 0.00 C ATOM 677 SG CYS A 39 -12.158 2.187 -2.202 1.00 0.00 S ATOM 0 H CYS A 39 -10.860 1.967 -4.618 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.423 1.107 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.045 0.117 -3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.504 -0.093 -1.776 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.268 2.367 -2.855 1.00 0.00 H new ATOM 683 N ARG A 40 -9.621 -0.843 -4.851 1.00 0.00 N ATOM 684 CA ARG A 40 -9.097 -2.107 -5.424 1.00 0.00 C ATOM 685 C ARG A 40 -7.581 -2.129 -5.242 1.00 0.00 C ATOM 686 O ARG A 40 -7.003 -3.124 -4.851 1.00 0.00 O ATOM 687 CB ARG A 40 -9.441 -2.152 -6.916 1.00 0.00 C ATOM 688 CG ARG A 40 -8.847 -3.402 -7.591 1.00 0.00 C ATOM 689 CD ARG A 40 -9.377 -4.679 -6.926 1.00 0.00 C ATOM 690 NE ARG A 40 -9.217 -5.824 -7.865 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.988 -5.921 -8.915 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.901 -5.015 -9.141 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.848 -6.924 -9.738 1.00 0.00 N ATOM 0 H ARG A 40 -10.094 -0.231 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.539 -2.969 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.524 -2.148 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.060 -1.256 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.102 -3.405 -8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.759 -3.376 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.834 -4.874 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.427 -4.556 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.505 -6.533 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.012 -4.231 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.503 -5.091 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.136 -7.633 -9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.450 -6.999 -10.558 1.00 0.00 H new ATOM 707 N GLU A 41 -6.935 -1.030 -5.524 1.00 0.00 N ATOM 708 CA GLU A 41 -5.456 -0.969 -5.370 1.00 0.00 C ATOM 709 C GLU A 41 -5.073 -1.423 -3.961 1.00 0.00 C ATOM 710 O GLU A 41 -4.013 -1.980 -3.750 1.00 0.00 O ATOM 711 CB GLU A 41 -4.975 0.471 -5.600 1.00 0.00 C ATOM 712 CG GLU A 41 -5.013 0.798 -7.097 1.00 0.00 C ATOM 713 CD GLU A 41 -4.820 2.302 -7.300 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.083 2.895 -6.529 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.413 2.836 -8.223 1.00 0.00 O ATOM 0 H GLU A 41 -7.371 -0.170 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.985 -1.626 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.608 1.168 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.961 0.591 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.231 0.247 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.965 0.483 -7.524 1.00 0.00 H new ATOM 722 N ARG A 42 -5.920 -1.199 -2.990 1.00 0.00 N ATOM 723 CA ARG A 42 -5.571 -1.639 -1.601 1.00 0.00 C ATOM 724 C ARG A 42 -5.746 -3.152 -1.495 1.00 0.00 C ATOM 725 O ARG A 42 -4.978 -3.836 -0.849 1.00 0.00 O ATOM 726 CB ARG A 42 -6.487 -0.964 -0.580 1.00 0.00 C ATOM 727 CG ARG A 42 -6.424 0.561 -0.730 1.00 0.00 C ATOM 728 CD ARG A 42 -4.973 1.064 -0.602 1.00 0.00 C ATOM 729 NE ARG A 42 -4.985 2.474 -0.114 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.902 3.004 0.388 1.00 0.00 C ATOM 731 NH1 ARG A 42 -2.803 2.302 0.454 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.918 4.234 0.823 1.00 0.00 N ATOM 0 H ARG A 42 -6.824 -0.738 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.538 -1.360 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.512 -1.307 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.189 -1.249 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.831 0.853 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.045 1.032 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.416 0.432 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.468 1.004 -1.566 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.841 3.025 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.791 1.341 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.957 2.715 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.777 4.782 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.072 4.647 1.215 1.00 0.00 H new ATOM 746 N TRP A 43 -6.764 -3.675 -2.115 1.00 0.00 N ATOM 747 CA TRP A 43 -7.023 -5.147 -2.054 1.00 0.00 C ATOM 748 C TRP A 43 -5.729 -5.926 -2.270 1.00 0.00 C ATOM 749 O TRP A 43 -5.312 -6.686 -1.428 1.00 0.00 O ATOM 750 CB TRP A 43 -8.000 -5.486 -3.188 1.00 0.00 C ATOM 751 CG TRP A 43 -8.484 -6.902 -3.096 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.985 -7.494 -1.988 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.542 -7.905 -4.153 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.339 -8.796 -2.294 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.086 -9.096 -3.617 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.174 -7.897 -5.511 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.260 -10.238 -4.399 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.349 -9.044 -6.302 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.891 -10.212 -5.746 1.00 0.00 C ATOM 0 H TRP A 43 -7.437 -3.144 -2.668 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.430 -5.414 -1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.852 -4.807 -3.150 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.510 -5.330 -4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.092 -7.026 -1.021 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.738 -9.453 -1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.754 -7.003 -5.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.677 -11.135 -3.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.065 -9.027 -7.344 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.023 -11.091 -6.359 1.00 0.00 H new ATOM 770 N ASN A 44 -5.087 -5.722 -3.376 1.00 0.00 N ATOM 771 CA ASN A 44 -3.817 -6.456 -3.656 1.00 0.00 C ATOM 772 C ASN A 44 -2.668 -5.897 -2.815 1.00 0.00 C ATOM 773 O ASN A 44 -1.814 -6.630 -2.358 1.00 0.00 O ATOM 774 CB ASN A 44 -3.470 -6.314 -5.139 1.00 0.00 C ATOM 775 CG ASN A 44 -3.479 -4.835 -5.528 1.00 0.00 C ATOM 776 OD1 ASN A 44 -2.525 -4.124 -5.278 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.522 -4.337 -6.132 1.00 0.00 N ATOM 0 H ASN A 44 -5.383 -5.076 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.958 -7.506 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.489 -6.747 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.189 -6.864 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.537 -3.351 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.323 -4.933 -6.342 1.00 0.00 H new ATOM 784 N ASN A 45 -2.618 -4.606 -2.625 1.00 0.00 N ATOM 785 CA ASN A 45 -1.497 -4.011 -1.834 1.00 0.00 C ATOM 786 C ASN A 45 -1.843 -3.971 -0.344 1.00 0.00 C ATOM 787 O ASN A 45 -1.224 -3.254 0.417 1.00 0.00 O ATOM 788 CB ASN A 45 -1.231 -2.588 -2.328 1.00 0.00 C ATOM 789 CG ASN A 45 -0.752 -2.633 -3.780 1.00 0.00 C ATOM 790 OD1 ASN A 45 0.150 -3.378 -4.111 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.320 -1.863 -4.667 1.00 0.00 N ATOM 0 H ASN A 45 -3.301 -3.938 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.609 -4.629 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.139 -1.990 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.480 -2.108 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.007 -1.886 -5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.077 -1.238 -4.390 1.00 0.00 H new ATOM 798 N TYR A 46 -2.814 -4.729 0.099 1.00 0.00 N ATOM 799 CA TYR A 46 -3.153 -4.711 1.559 1.00 0.00 C ATOM 800 C TYR A 46 -3.743 -6.067 1.974 1.00 0.00 C ATOM 801 O TYR A 46 -3.223 -6.721 2.856 1.00 0.00 O ATOM 802 CB TYR A 46 -4.141 -3.553 1.846 1.00 0.00 C ATOM 803 CG TYR A 46 -3.822 -2.909 3.189 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.774 -3.698 4.344 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.571 -1.528 3.275 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.480 -3.113 5.582 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.277 -0.947 4.514 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.231 -1.738 5.666 1.00 0.00 C ATOM 809 OH TYR A 46 -2.941 -1.164 6.888 1.00 0.00 O ATOM 0 H TYR A 46 -3.381 -5.352 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.251 -4.544 2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.079 -2.808 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.164 -3.930 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.964 -4.759 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.605 -0.916 2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.445 -3.723 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.085 0.114 4.580 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.793 -0.202 6.771 1.00 0.00 H new ATOM 819 N ILE A 47 -4.818 -6.505 1.352 1.00 0.00 N ATOM 820 CA ILE A 47 -5.421 -7.831 1.728 1.00 0.00 C ATOM 821 C ILE A 47 -5.989 -8.545 0.485 1.00 0.00 C ATOM 822 O ILE A 47 -6.846 -8.049 -0.218 1.00 0.00 O ATOM 823 CB ILE A 47 -6.504 -7.661 2.843 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.907 -7.282 2.298 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.059 -6.584 3.839 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.898 -5.897 1.639 1.00 0.00 C ATOM 0 H ILE A 47 -5.301 -6.006 0.605 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.632 -8.461 2.138 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.596 -8.635 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.231 -8.029 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.631 -7.294 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.817 -6.469 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.115 -6.879 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.929 -5.637 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.896 -5.664 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.598 -5.147 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.193 -5.894 0.808 1.00 0.00 H new ATOM 838 N ASN A 48 -5.486 -9.727 0.231 1.00 0.00 N ATOM 839 CA ASN A 48 -5.940 -10.556 -0.931 1.00 0.00 C ATOM 840 C ASN A 48 -5.158 -11.883 -0.920 1.00 0.00 C ATOM 841 O ASN A 48 -5.734 -12.941 -1.072 1.00 0.00 O ATOM 842 CB ASN A 48 -5.732 -9.783 -2.273 1.00 0.00 C ATOM 843 CG ASN A 48 -4.751 -10.499 -3.223 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.072 -11.526 -3.786 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.564 -9.988 -3.420 1.00 0.00 N ATOM 0 H ASN A 48 -4.759 -10.165 0.797 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.006 -10.767 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.694 -9.664 -2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.358 -8.782 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.907 -10.452 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.295 -9.125 -2.947 1.00 0.00 H new ATOM 852 N PRO A 49 -3.850 -11.832 -0.755 1.00 0.00 N ATOM 853 CA PRO A 49 -2.988 -13.034 -0.742 1.00 0.00 C ATOM 854 C PRO A 49 -2.624 -13.461 0.689 1.00 0.00 C ATOM 855 O PRO A 49 -3.390 -14.124 1.360 1.00 0.00 O ATOM 856 CB PRO A 49 -1.753 -12.535 -1.517 1.00 0.00 C ATOM 857 CG PRO A 49 -1.675 -11.042 -1.228 1.00 0.00 C ATOM 858 CD PRO A 49 -3.014 -10.639 -0.558 1.00 0.00 C ATOM 0 HA PRO A 49 -3.457 -13.918 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.849 -13.047 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.856 -12.724 -2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.833 -10.820 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.519 -10.479 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.883 -10.407 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.451 -9.757 -1.026 1.00 0.00 H new ATOM 866 N ALA A 50 -1.466 -13.081 1.158 1.00 0.00 N ATOM 867 CA ALA A 50 -1.049 -13.457 2.541 1.00 0.00 C ATOM 868 C ALA A 50 0.306 -12.813 2.845 1.00 0.00 C ATOM 869 O ALA A 50 1.246 -13.479 3.231 1.00 0.00 O ATOM 870 CB ALA A 50 -0.926 -14.982 2.645 1.00 0.00 C ATOM 0 H ALA A 50 -0.787 -12.523 0.640 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.793 -13.108 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.621 -15.254 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.889 -15.441 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.180 -15.336 1.933 1.00 0.00 H new ATOM 876 N LEU A 51 0.412 -11.517 2.673 1.00 0.00 N ATOM 877 CA LEU A 51 1.708 -10.810 2.945 1.00 0.00 C ATOM 878 C LEU A 51 1.675 -10.193 4.345 1.00 0.00 C ATOM 879 O LEU A 51 2.369 -9.236 4.625 1.00 0.00 O ATOM 880 CB LEU A 51 1.941 -9.709 1.889 1.00 0.00 C ATOM 881 CG LEU A 51 0.642 -8.934 1.586 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.154 -8.176 2.833 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.916 -7.935 0.457 1.00 0.00 C ATOM 0 H LEU A 51 -0.346 -10.914 2.354 1.00 0.00 H new ATOM 0 HA LEU A 51 2.525 -11.529 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.704 -9.017 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.321 -10.158 0.971 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.133 -9.641 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.763 -7.637 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.040 -8.886 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.919 -7.468 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.005 -7.380 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.697 -7.240 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.242 -8.473 -0.434 1.00 0.00 H new ATOM 895 N ARG A 52 0.878 -10.734 5.229 1.00 0.00 N ATOM 896 CA ARG A 52 0.806 -10.177 6.612 1.00 0.00 C ATOM 897 C ARG A 52 2.223 -9.989 7.162 1.00 0.00 C ATOM 898 O ARG A 52 2.445 -9.243 8.094 1.00 0.00 O ATOM 899 CB ARG A 52 0.035 -11.144 7.512 1.00 0.00 C ATOM 900 CG ARG A 52 -1.355 -11.393 6.922 1.00 0.00 C ATOM 901 CD ARG A 52 -2.209 -12.163 7.931 1.00 0.00 C ATOM 902 NE ARG A 52 -2.501 -11.289 9.102 1.00 0.00 N ATOM 903 CZ ARG A 52 -3.067 -11.790 10.166 1.00 0.00 C ATOM 904 NH1 ARG A 52 -3.378 -13.058 10.206 1.00 0.00 N ATOM 905 NH2 ARG A 52 -3.323 -11.024 11.192 1.00 0.00 N ATOM 0 H ARG A 52 0.274 -11.537 5.053 1.00 0.00 H new ATOM 0 HA ARG A 52 0.294 -9.215 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.578 -12.085 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.054 -10.730 8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.832 -10.444 6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.272 -11.959 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.139 -12.487 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.685 -13.062 8.256 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.258 -10.299 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.179 -13.658 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.820 -13.449 11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.081 -10.034 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.765 -11.416 12.023 1.00 0.00 H new ATOM 919 N THR A 53 3.181 -10.660 6.581 1.00 0.00 N ATOM 920 CA THR A 53 4.586 -10.524 7.057 1.00 0.00 C ATOM 921 C THR A 53 5.536 -11.131 6.020 1.00 0.00 C ATOM 922 O THR A 53 6.023 -12.231 6.188 1.00 0.00 O ATOM 923 CB THR A 53 4.751 -11.264 8.387 1.00 0.00 C ATOM 924 OG1 THR A 53 3.795 -10.781 9.322 1.00 0.00 O ATOM 925 CG2 THR A 53 6.161 -11.031 8.932 1.00 0.00 C ATOM 0 H THR A 53 3.050 -11.298 5.796 1.00 0.00 H new ATOM 0 HA THR A 53 4.820 -9.468 7.196 1.00 0.00 H new ATOM 0 HB THR A 53 4.596 -12.331 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.551 -9.860 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.277 -11.558 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.894 -11.404 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.319 -9.964 9.089 1.00 0.00 H new ATOM 933 N ASP A 54 5.804 -10.421 4.947 1.00 0.00 N ATOM 934 CA ASP A 54 6.729 -10.953 3.891 1.00 0.00 C ATOM 935 C ASP A 54 7.644 -9.835 3.391 1.00 0.00 C ATOM 936 O ASP A 54 7.511 -9.369 2.277 1.00 0.00 O ATOM 937 CB ASP A 54 5.905 -11.497 2.721 1.00 0.00 C ATOM 938 CG ASP A 54 5.118 -12.726 3.179 1.00 0.00 C ATOM 939 OD1 ASP A 54 4.368 -12.603 4.133 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.280 -13.769 2.568 1.00 0.00 O ATOM 0 H ASP A 54 5.422 -9.495 4.757 1.00 0.00 H new ATOM 0 HA ASP A 54 7.337 -11.752 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.222 -10.730 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.561 -11.761 1.892 1.00 0.00 H new ATOM 945 N PRO A 55 8.578 -9.415 4.206 1.00 0.00 N ATOM 946 CA PRO A 55 9.542 -8.340 3.837 1.00 0.00 C ATOM 947 C PRO A 55 10.278 -8.642 2.533 1.00 0.00 C ATOM 948 O PRO A 55 10.704 -9.751 2.281 1.00 0.00 O ATOM 949 CB PRO A 55 10.520 -8.298 5.024 1.00 0.00 C ATOM 950 CG PRO A 55 9.722 -8.819 6.170 1.00 0.00 C ATOM 951 CD PRO A 55 8.822 -9.904 5.575 1.00 0.00 C ATOM 0 HA PRO A 55 9.040 -7.389 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.400 -8.914 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.875 -7.285 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.369 -9.227 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.131 -8.027 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.310 -10.879 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.894 -10.012 6.137 1.00 0.00 H new ATOM 959 N TRP A 56 10.433 -7.648 1.716 1.00 0.00 N ATOM 960 CA TRP A 56 11.148 -7.837 0.418 1.00 0.00 C ATOM 961 C TRP A 56 12.664 -7.853 0.672 1.00 0.00 C ATOM 962 O TRP A 56 13.110 -7.914 1.800 1.00 0.00 O ATOM 963 CB TRP A 56 10.761 -6.714 -0.572 1.00 0.00 C ATOM 964 CG TRP A 56 10.301 -5.480 0.151 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.070 -5.302 0.688 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.033 -4.246 0.395 1.00 0.00 C ATOM 967 NE1 TRP A 56 8.997 -4.032 1.234 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.183 -3.345 1.082 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.337 -3.824 0.091 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.613 -2.070 1.446 1.00 0.00 C ATOM 971 CZ3 TRP A 56 12.772 -2.545 0.459 1.00 0.00 C ATOM 972 CH2 TRP A 56 11.913 -1.667 1.133 1.00 0.00 C ATOM 0 H TRP A 56 10.095 -6.701 1.887 1.00 0.00 H new ATOM 0 HA TRP A 56 10.857 -8.789 -0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.617 -6.471 -1.201 1.00 0.00 H new ATOM 0 HB3 TRP A 56 9.969 -7.067 -1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.275 -6.033 0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.169 -3.652 1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.009 -4.490 -0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.946 -1.399 1.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 13.778 -2.233 0.221 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.255 -0.681 1.410 1.00 0.00 H new ATOM 983 N SER A 57 13.453 -7.827 -0.382 1.00 0.00 N ATOM 984 CA SER A 57 14.950 -7.874 -0.238 1.00 0.00 C ATOM 985 C SER A 57 15.581 -6.701 -1.023 1.00 0.00 C ATOM 986 O SER A 57 14.882 -5.925 -1.646 1.00 0.00 O ATOM 987 CB SER A 57 15.437 -9.236 -0.778 1.00 0.00 C ATOM 988 OG SER A 57 16.323 -9.824 0.165 1.00 0.00 O ATOM 0 H SER A 57 13.121 -7.775 -1.345 1.00 0.00 H new ATOM 0 HA SER A 57 15.247 -7.773 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.587 -9.895 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.942 -9.102 -1.735 1.00 0.00 H new ATOM 0 HG SER A 57 16.633 -10.690 -0.173 1.00 0.00 H new ATOM 994 N PRO A 58 16.892 -6.567 -0.989 1.00 0.00 N ATOM 995 CA PRO A 58 17.618 -5.465 -1.702 1.00 0.00 C ATOM 996 C PRO A 58 17.158 -5.276 -3.157 1.00 0.00 C ATOM 997 O PRO A 58 17.455 -4.280 -3.785 1.00 0.00 O ATOM 998 CB PRO A 58 19.085 -5.909 -1.638 1.00 0.00 C ATOM 999 CG PRO A 58 19.170 -6.679 -0.363 1.00 0.00 C ATOM 1000 CD PRO A 58 17.844 -7.443 -0.268 1.00 0.00 C ATOM 0 HA PRO A 58 17.432 -4.495 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.354 -6.525 -2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.762 -5.054 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.019 -7.363 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.304 -6.015 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.913 -8.428 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.542 -7.598 0.768 1.00 0.00 H new ATOM 1008 N GLU A 59 16.445 -6.225 -3.691 1.00 0.00 N ATOM 1009 CA GLU A 59 15.974 -6.114 -5.094 1.00 0.00 C ATOM 1010 C GLU A 59 14.921 -5.022 -5.171 1.00 0.00 C ATOM 1011 O GLU A 59 14.954 -4.176 -6.043 1.00 0.00 O ATOM 1012 CB GLU A 59 15.365 -7.446 -5.538 1.00 0.00 C ATOM 1013 CG GLU A 59 16.453 -8.521 -5.567 1.00 0.00 C ATOM 1014 CD GLU A 59 15.812 -9.889 -5.811 1.00 0.00 C ATOM 1015 OE1 GLU A 59 14.780 -9.931 -6.459 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.366 -10.871 -5.345 1.00 0.00 O ATOM 0 H GLU A 59 16.167 -7.080 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 59 16.811 -5.869 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.568 -7.739 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.916 -7.341 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.176 -8.301 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.999 -8.526 -4.624 1.00 0.00 H new ATOM 1023 N GLU A 60 13.986 -5.011 -4.256 1.00 0.00 N ATOM 1024 CA GLU A 60 12.954 -3.949 -4.288 1.00 0.00 C ATOM 1025 C GLU A 60 13.538 -2.697 -3.642 1.00 0.00 C ATOM 1026 O GLU A 60 13.097 -1.607 -3.900 1.00 0.00 O ATOM 1027 CB GLU A 60 11.714 -4.402 -3.523 1.00 0.00 C ATOM 1028 CG GLU A 60 11.170 -5.693 -4.144 1.00 0.00 C ATOM 1029 CD GLU A 60 9.768 -5.980 -3.597 1.00 0.00 C ATOM 1030 OE1 GLU A 60 9.356 -5.285 -2.684 1.00 0.00 O ATOM 1031 OE2 GLU A 60 9.133 -6.891 -4.103 1.00 0.00 O ATOM 0 H GLU A 60 13.898 -5.687 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 60 12.664 -3.739 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.961 -4.567 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.952 -3.623 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.135 -5.599 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.836 -6.525 -3.918 1.00 0.00 H new ATOM 1038 N ASP A 61 14.540 -2.845 -2.812 1.00 0.00 N ATOM 1039 CA ASP A 61 15.151 -1.645 -2.167 1.00 0.00 C ATOM 1040 C ASP A 61 15.876 -0.824 -3.234 1.00 0.00 C ATOM 1041 O ASP A 61 15.581 0.333 -3.450 1.00 0.00 O ATOM 1042 CB ASP A 61 16.158 -2.089 -1.084 1.00 0.00 C ATOM 1043 CG ASP A 61 16.317 -0.992 -0.023 1.00 0.00 C ATOM 1044 OD1 ASP A 61 15.312 -0.425 0.373 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.443 -0.740 0.376 1.00 0.00 O ATOM 0 H ASP A 61 14.958 -3.739 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 61 14.371 -1.042 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.815 -3.011 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.123 -2.304 -1.542 1.00 0.00 H new ATOM 1050 N MET A 62 16.821 -1.421 -3.908 1.00 0.00 N ATOM 1051 CA MET A 62 17.554 -0.679 -4.961 1.00 0.00 C ATOM 1052 C MET A 62 16.553 -0.219 -6.014 1.00 0.00 C ATOM 1053 O MET A 62 16.707 0.821 -6.623 1.00 0.00 O ATOM 1054 CB MET A 62 18.611 -1.592 -5.601 1.00 0.00 C ATOM 1055 CG MET A 62 17.935 -2.761 -6.342 1.00 0.00 C ATOM 1056 SD MET A 62 17.467 -2.236 -8.010 1.00 0.00 S ATOM 1057 CE MET A 62 17.455 -3.879 -8.770 1.00 0.00 C ATOM 0 H MET A 62 17.113 -2.389 -3.772 1.00 0.00 H new ATOM 0 HA MET A 62 18.059 0.185 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.223 -1.018 -6.297 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.280 -1.979 -4.832 1.00 0.00 H new ATOM 0 HG2 MET A 62 18.614 -3.612 -6.395 1.00 0.00 H new ATOM 0 HG3 MET A 62 17.053 -3.091 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.186 -3.791 -9.823 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.445 -4.326 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.727 -4.510 -8.261 1.00 0.00 H new ATOM 1067 N LEU A 63 15.515 -0.988 -6.231 1.00 0.00 N ATOM 1068 CA LEU A 63 14.492 -0.588 -7.247 1.00 0.00 C ATOM 1069 C LEU A 63 13.521 0.424 -6.620 1.00 0.00 C ATOM 1070 O LEU A 63 12.979 1.277 -7.293 1.00 0.00 O ATOM 1071 CB LEU A 63 13.720 -1.834 -7.717 1.00 0.00 C ATOM 1072 CG LEU A 63 12.985 -1.550 -9.053 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.936 -1.727 -10.248 1.00 0.00 C ATOM 1074 CD2 LEU A 63 11.811 -2.525 -9.214 1.00 0.00 C ATOM 0 H LEU A 63 15.332 -1.870 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 63 14.985 -0.130 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.409 -2.668 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.999 -2.130 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 63 12.624 -0.522 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.399 -1.523 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.772 -1.034 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.312 -2.750 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.297 -2.323 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.186 -3.548 -9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.115 -2.397 -8.385 1.00 0.00 H new ATOM 1086 N LEU A 64 13.300 0.332 -5.334 1.00 0.00 N ATOM 1087 CA LEU A 64 12.368 1.285 -4.658 1.00 0.00 C ATOM 1088 C LEU A 64 13.088 2.609 -4.436 1.00 0.00 C ATOM 1089 O LEU A 64 12.513 3.665 -4.564 1.00 0.00 O ATOM 1090 CB LEU A 64 11.915 0.704 -3.306 1.00 0.00 C ATOM 1091 CG LEU A 64 11.097 1.756 -2.487 1.00 0.00 C ATOM 1092 CD1 LEU A 64 9.899 1.082 -1.801 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.978 2.395 -1.397 1.00 0.00 C ATOM 0 H LEU A 64 13.726 -0.363 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 64 11.490 1.445 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.306 -0.184 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.786 0.389 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 64 10.750 2.522 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.338 1.826 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.251 0.637 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.256 0.305 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.393 3.124 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.337 1.621 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.829 2.893 -1.862 1.00 0.00 H new ATOM 1105 N ASP A 65 14.351 2.569 -4.111 1.00 0.00 N ATOM 1106 CA ASP A 65 15.099 3.840 -3.891 1.00 0.00 C ATOM 1107 C ASP A 65 14.855 4.776 -5.077 1.00 0.00 C ATOM 1108 O ASP A 65 14.819 5.981 -4.936 1.00 0.00 O ATOM 1109 CB ASP A 65 16.594 3.536 -3.780 1.00 0.00 C ATOM 1110 CG ASP A 65 17.338 4.789 -3.316 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.343 5.760 -4.055 1.00 0.00 O ATOM 1112 OD2 ASP A 65 17.892 4.758 -2.229 1.00 0.00 O ATOM 0 H ASP A 65 14.896 1.715 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 65 14.757 4.315 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.759 2.721 -3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.981 3.207 -4.744 1.00 0.00 H new ATOM 1117 N GLN A 66 14.684 4.220 -6.245 1.00 0.00 N ATOM 1118 CA GLN A 66 14.435 5.066 -7.451 1.00 0.00 C ATOM 1119 C GLN A 66 12.970 5.512 -7.495 1.00 0.00 C ATOM 1120 O GLN A 66 12.668 6.649 -7.799 1.00 0.00 O ATOM 1121 CB GLN A 66 14.758 4.260 -8.711 1.00 0.00 C ATOM 1122 CG GLN A 66 16.225 3.824 -8.678 1.00 0.00 C ATOM 1123 CD GLN A 66 16.495 2.855 -9.829 1.00 0.00 C ATOM 1124 OE1 GLN A 66 15.715 2.760 -10.756 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.577 2.124 -9.810 1.00 0.00 N ATOM 0 H GLN A 66 14.706 3.215 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 66 15.072 5.949 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.109 3.386 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.567 4.862 -9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.876 4.694 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.452 3.346 -7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.232 2.203 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.767 1.474 -10.573 1.00 0.00 H new ATOM 1134 N LYS A 67 12.057 4.624 -7.211 1.00 0.00 N ATOM 1135 CA LYS A 67 10.611 4.997 -7.256 1.00 0.00 C ATOM 1136 C LYS A 67 10.249 5.840 -6.029 1.00 0.00 C ATOM 1137 O LYS A 67 9.720 6.927 -6.144 1.00 0.00 O ATOM 1138 CB LYS A 67 9.767 3.720 -7.269 1.00 0.00 C ATOM 1139 CG LYS A 67 9.966 2.992 -8.602 1.00 0.00 C ATOM 1140 CD LYS A 67 9.354 1.591 -8.520 1.00 0.00 C ATOM 1141 CE LYS A 67 9.654 0.825 -9.811 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.295 -0.609 -9.632 1.00 0.00 N ATOM 0 H LYS A 67 12.248 3.657 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 67 10.414 5.580 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.055 3.072 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.714 3.965 -7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.499 3.557 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.029 2.922 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.762 1.054 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.277 1.662 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.089 1.252 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.710 0.918 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.987 -1.205 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.301 -0.845 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.346 -0.781 -10.022 1.00 0.00 H new ATOM 1156 N TYR A 68 10.535 5.346 -4.859 1.00 0.00 N ATOM 1157 CA TYR A 68 10.217 6.109 -3.617 1.00 0.00 C ATOM 1158 C TYR A 68 10.841 7.505 -3.719 1.00 0.00 C ATOM 1159 O TYR A 68 10.256 8.489 -3.319 1.00 0.00 O ATOM 1160 CB TYR A 68 10.784 5.342 -2.401 1.00 0.00 C ATOM 1161 CG TYR A 68 11.027 6.279 -1.233 1.00 0.00 C ATOM 1162 CD1 TYR A 68 9.970 6.633 -0.390 1.00 0.00 C ATOM 1163 CD2 TYR A 68 12.308 6.796 -1.007 1.00 0.00 C ATOM 1164 CE1 TYR A 68 10.193 7.505 0.681 1.00 0.00 C ATOM 1165 CE2 TYR A 68 12.532 7.667 0.064 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.474 8.022 0.908 1.00 0.00 C ATOM 1167 OH TYR A 68 11.693 8.883 1.965 1.00 0.00 O ATOM 0 H TYR A 68 10.979 4.440 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 68 9.139 6.215 -3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.088 4.558 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 68 11.717 4.851 -2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.982 6.234 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 68 13.124 6.522 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.377 7.779 1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.520 8.065 0.239 1.00 0.00 H new ATOM 0 HH TYR A 68 12.636 9.148 1.981 1.00 0.00 H new ATOM 1177 N ALA A 69 12.020 7.592 -4.248 1.00 0.00 N ATOM 1178 CA ALA A 69 12.681 8.916 -4.378 1.00 0.00 C ATOM 1179 C ALA A 69 11.790 9.847 -5.207 1.00 0.00 C ATOM 1180 O ALA A 69 11.814 11.050 -5.046 1.00 0.00 O ATOM 1181 CB ALA A 69 14.034 8.733 -5.077 1.00 0.00 C ATOM 0 H ALA A 69 12.560 6.801 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 69 12.838 9.353 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.526 9.701 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.662 8.066 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.877 8.302 -6.066 1.00 0.00 H new ATOM 1187 N GLU A 70 11.016 9.295 -6.107 1.00 0.00 N ATOM 1188 CA GLU A 70 10.132 10.131 -6.971 1.00 0.00 C ATOM 1189 C GLU A 70 8.741 10.282 -6.345 1.00 0.00 C ATOM 1190 O GLU A 70 8.197 11.367 -6.286 1.00 0.00 O ATOM 1191 CB GLU A 70 9.996 9.451 -8.337 1.00 0.00 C ATOM 1192 CG GLU A 70 11.331 9.528 -9.085 1.00 0.00 C ATOM 1193 CD GLU A 70 11.587 10.968 -9.537 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.946 11.393 -10.485 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.418 11.620 -8.928 1.00 0.00 O ATOM 0 H GLU A 70 10.959 8.291 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 70 10.574 11.122 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.699 8.410 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.213 9.936 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.141 9.190 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.314 8.863 -9.949 1.00 0.00 H new ATOM 1202 N TYR A 71 8.138 9.201 -5.908 1.00 0.00 N ATOM 1203 CA TYR A 71 6.761 9.291 -5.326 1.00 0.00 C ATOM 1204 C TYR A 71 6.820 9.523 -3.812 1.00 0.00 C ATOM 1205 O TYR A 71 5.807 9.662 -3.158 1.00 0.00 O ATOM 1206 CB TYR A 71 6.010 7.992 -5.631 1.00 0.00 C ATOM 1207 CG TYR A 71 6.266 7.602 -7.071 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.659 8.327 -8.105 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.109 6.525 -7.375 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.894 7.975 -9.440 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.344 6.174 -8.710 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.736 6.899 -9.742 1.00 0.00 C ATOM 1213 OH TYR A 71 6.967 6.552 -11.058 1.00 0.00 O ATOM 0 H TYR A 71 8.539 8.263 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 71 6.239 10.137 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.342 7.199 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 71 4.942 8.126 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.009 9.158 -7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.578 5.965 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.425 8.534 -10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.994 5.344 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 71 7.575 5.784 -11.092 1.00 0.00 H new ATOM 1223 N GLY A 72 7.991 9.574 -3.253 1.00 0.00 N ATOM 1224 CA GLY A 72 8.107 9.807 -1.783 1.00 0.00 C ATOM 1225 C GLY A 72 7.474 8.631 -1.031 1.00 0.00 C ATOM 1226 O GLY A 72 7.291 7.566 -1.586 1.00 0.00 O ATOM 0 H GLY A 72 8.877 9.465 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.155 9.912 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.609 10.738 -1.511 1.00 0.00 H new ATOM 1230 N PRO A 73 7.139 8.817 0.226 1.00 0.00 N ATOM 1231 CA PRO A 73 6.510 7.744 1.061 1.00 0.00 C ATOM 1232 C PRO A 73 5.148 7.291 0.506 1.00 0.00 C ATOM 1233 O PRO A 73 4.292 6.834 1.237 1.00 0.00 O ATOM 1234 CB PRO A 73 6.353 8.396 2.458 1.00 0.00 C ATOM 1235 CG PRO A 73 7.275 9.582 2.445 1.00 0.00 C ATOM 1236 CD PRO A 73 7.324 10.059 0.993 1.00 0.00 C ATOM 0 HA PRO A 73 7.118 6.840 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.322 8.701 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.621 7.698 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.907 10.370 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.269 9.308 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.539 10.784 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.274 10.540 0.759 1.00 0.00 H new ATOM 1244 N LYS A 74 4.943 7.416 -0.778 1.00 0.00 N ATOM 1245 CA LYS A 74 3.647 6.999 -1.380 1.00 0.00 C ATOM 1246 C LYS A 74 3.670 5.490 -1.629 1.00 0.00 C ATOM 1247 O LYS A 74 3.677 5.035 -2.756 1.00 0.00 O ATOM 1248 CB LYS A 74 3.471 7.736 -2.711 1.00 0.00 C ATOM 1249 CG LYS A 74 3.033 9.182 -2.453 1.00 0.00 C ATOM 1250 CD LYS A 74 2.832 9.901 -3.789 1.00 0.00 C ATOM 1251 CE LYS A 74 2.435 11.355 -3.531 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.072 11.400 -2.932 1.00 0.00 N ATOM 0 H LYS A 74 5.623 7.792 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 74 2.823 7.240 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.407 7.725 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.728 7.226 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.107 9.196 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.785 9.700 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.749 9.862 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.059 9.400 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.154 11.826 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.453 11.919 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.593 12.276 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.522 10.580 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.148 11.376 -1.895 1.00 0.00 H new ATOM 1266 N TRP A 75 3.680 4.713 -0.586 1.00 0.00 N ATOM 1267 CA TRP A 75 3.700 3.240 -0.757 1.00 0.00 C ATOM 1268 C TRP A 75 2.442 2.802 -1.508 1.00 0.00 C ATOM 1269 O TRP A 75 2.284 1.652 -1.861 1.00 0.00 O ATOM 1270 CB TRP A 75 3.730 2.571 0.621 1.00 0.00 C ATOM 1271 CG TRP A 75 4.586 3.358 1.572 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.156 3.866 2.748 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.995 3.734 1.461 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.208 4.497 3.381 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.359 4.454 2.624 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.985 3.520 0.483 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.653 4.941 2.813 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.287 4.014 0.669 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.620 4.722 1.832 1.00 0.00 C ATOM 0 H TRP A 75 3.675 5.037 0.381 1.00 0.00 H new ATOM 0 HA TRP A 75 4.584 2.948 -1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.717 2.492 1.015 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.117 1.556 0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.149 3.790 3.132 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.142 4.941 4.297 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.742 2.973 -0.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.904 5.484 3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.037 3.847 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.624 5.097 1.968 1.00 0.00 H new ATOM 1290 N ASN A 76 1.542 3.709 -1.737 1.00 0.00 N ATOM 1291 CA ASN A 76 0.281 3.347 -2.446 1.00 0.00 C ATOM 1292 C ASN A 76 0.543 3.233 -3.945 1.00 0.00 C ATOM 1293 O ASN A 76 -0.037 2.412 -4.627 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.769 4.431 -2.195 1.00 0.00 C ATOM 1295 CG ASN A 76 -0.274 5.764 -2.757 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -0.377 6.014 -3.942 1.00 0.00 O ATOM 1297 ND2 ASN A 76 0.265 6.638 -1.952 1.00 0.00 N ATOM 0 H ASN A 76 1.621 4.689 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.081 2.389 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.712 4.154 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.962 4.524 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.599 7.530 -2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.352 6.430 -0.957 1.00 0.00 H new ATOM 1304 N LYS A 77 1.412 4.054 -4.464 1.00 0.00 N ATOM 1305 CA LYS A 77 1.718 4.005 -5.924 1.00 0.00 C ATOM 1306 C LYS A 77 2.840 3.009 -6.165 1.00 0.00 C ATOM 1307 O LYS A 77 2.933 2.388 -7.197 1.00 0.00 O ATOM 1308 CB LYS A 77 2.164 5.392 -6.382 1.00 0.00 C ATOM 1309 CG LYS A 77 2.260 5.433 -7.912 1.00 0.00 C ATOM 1310 CD LYS A 77 2.439 6.882 -8.373 1.00 0.00 C ATOM 1311 CE LYS A 77 2.802 6.905 -9.859 1.00 0.00 C ATOM 1312 NZ LYS A 77 2.856 8.315 -10.337 1.00 0.00 N ATOM 0 H LYS A 77 1.927 4.761 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 77 0.833 3.699 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.456 6.144 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.131 5.636 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.099 4.826 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.360 5.008 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.521 7.445 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.222 7.366 -7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.765 6.420 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.065 6.344 -10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.883 8.328 -11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.013 8.826 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.710 8.776 -9.963 1.00 0.00 H new ATOM 1326 N ILE A 78 3.712 2.894 -5.215 1.00 0.00 N ATOM 1327 CA ILE A 78 4.876 1.983 -5.343 1.00 0.00 C ATOM 1328 C ILE A 78 4.420 0.537 -5.132 1.00 0.00 C ATOM 1329 O ILE A 78 4.727 -0.336 -5.913 1.00 0.00 O ATOM 1330 CB ILE A 78 5.921 2.412 -4.306 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.183 3.936 -4.451 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.222 1.636 -4.536 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.828 4.494 -3.187 1.00 0.00 C ATOM 0 H ILE A 78 3.668 3.404 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 78 5.319 2.039 -6.337 1.00 0.00 H new ATOM 0 HB ILE A 78 5.554 2.199 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.832 4.119 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.244 4.455 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.964 1.942 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.031 0.568 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.598 1.846 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.003 5.563 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.165 4.330 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.777 3.989 -3.009 1.00 0.00 H new ATOM 1345 N SER A 79 3.680 0.271 -4.092 1.00 0.00 N ATOM 1346 CA SER A 79 3.199 -1.123 -3.859 1.00 0.00 C ATOM 1347 C SER A 79 2.596 -1.709 -5.140 1.00 0.00 C ATOM 1348 O SER A 79 2.541 -2.911 -5.307 1.00 0.00 O ATOM 1349 CB SER A 79 2.125 -1.128 -2.770 1.00 0.00 C ATOM 1350 OG SER A 79 1.003 -0.377 -3.216 1.00 0.00 O ATOM 0 H SER A 79 3.387 0.955 -3.394 1.00 0.00 H new ATOM 0 HA SER A 79 4.052 -1.727 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.826 -2.151 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.522 -0.700 -1.849 1.00 0.00 H new ATOM 0 HG SER A 79 1.080 0.547 -2.898 1.00 0.00 H new ATOM 1356 N LYS A 80 2.130 -0.887 -6.042 1.00 0.00 N ATOM 1357 CA LYS A 80 1.525 -1.436 -7.291 1.00 0.00 C ATOM 1358 C LYS A 80 2.640 -1.913 -8.213 1.00 0.00 C ATOM 1359 O LYS A 80 2.446 -2.767 -9.053 1.00 0.00 O ATOM 1360 CB LYS A 80 0.650 -0.349 -7.968 1.00 0.00 C ATOM 1361 CG LYS A 80 1.468 0.563 -8.934 1.00 0.00 C ATOM 1362 CD LYS A 80 1.413 0.017 -10.384 1.00 0.00 C ATOM 1363 CE LYS A 80 0.145 0.514 -11.094 1.00 0.00 C ATOM 1364 NZ LYS A 80 -0.092 -0.305 -12.316 1.00 0.00 N ATOM 0 H LYS A 80 2.141 0.130 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 80 0.881 -2.285 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.156 -0.830 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.184 0.268 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.071 1.578 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.504 0.617 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.296 0.340 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.427 -1.073 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.712 0.443 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.254 1.565 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.950 0.031 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.722 -0.216 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.213 -1.302 -12.047 1.00 0.00 H new ATOM 1378 N PHE A 81 3.815 -1.374 -8.047 1.00 0.00 N ATOM 1379 CA PHE A 81 4.947 -1.806 -8.899 1.00 0.00 C ATOM 1380 C PHE A 81 5.412 -3.153 -8.363 1.00 0.00 C ATOM 1381 O PHE A 81 6.170 -3.865 -8.991 1.00 0.00 O ATOM 1382 CB PHE A 81 6.082 -0.765 -8.816 1.00 0.00 C ATOM 1383 CG PHE A 81 5.881 0.317 -9.859 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.128 1.457 -9.551 1.00 0.00 C ATOM 1385 CD2 PHE A 81 6.447 0.176 -11.132 1.00 0.00 C ATOM 1386 CE1 PHE A 81 4.942 2.455 -10.515 1.00 0.00 C ATOM 1387 CE2 PHE A 81 6.260 1.174 -12.096 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.508 2.314 -11.787 1.00 0.00 C ATOM 0 H PHE A 81 4.036 -0.655 -7.359 1.00 0.00 H new ATOM 0 HA PHE A 81 4.652 -1.893 -9.945 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.105 -0.321 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.044 -1.253 -8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.691 1.566 -8.570 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.028 -0.703 -11.370 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.361 3.334 -10.277 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.696 1.065 -13.078 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.365 3.084 -12.530 1.00 0.00 H new ATOM 1398 N LEU A 82 4.942 -3.500 -7.190 1.00 0.00 N ATOM 1399 CA LEU A 82 5.325 -4.807 -6.563 1.00 0.00 C ATOM 1400 C LEU A 82 4.170 -5.801 -6.728 1.00 0.00 C ATOM 1401 O LEU A 82 4.348 -6.892 -7.230 1.00 0.00 O ATOM 1402 CB LEU A 82 5.612 -4.585 -5.074 1.00 0.00 C ATOM 1403 CG LEU A 82 6.556 -3.382 -4.896 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.754 -3.104 -3.405 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.918 -3.678 -5.547 1.00 0.00 C ATOM 0 H LEU A 82 4.304 -2.930 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 82 6.217 -5.206 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.680 -4.409 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.063 -5.479 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 82 6.114 -2.509 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.422 -2.252 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.791 -2.881 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.190 -3.981 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.578 -2.821 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.363 -4.555 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.779 -3.869 -6.611 1.00 0.00 H new ATOM 1417 N LYS A 83 2.990 -5.428 -6.305 1.00 0.00 N ATOM 1418 CA LYS A 83 1.812 -6.329 -6.424 1.00 0.00 C ATOM 1419 C LYS A 83 2.089 -7.587 -5.628 1.00 0.00 C ATOM 1420 O LYS A 83 1.334 -8.540 -5.659 1.00 0.00 O ATOM 1421 CB LYS A 83 1.561 -6.676 -7.896 1.00 0.00 C ATOM 1422 CG LYS A 83 1.689 -5.407 -8.743 1.00 0.00 C ATOM 1423 CD LYS A 83 1.144 -5.660 -10.147 1.00 0.00 C ATOM 1424 CE LYS A 83 1.272 -4.376 -10.964 1.00 0.00 C ATOM 1425 NZ LYS A 83 0.730 -4.599 -12.334 1.00 0.00 N ATOM 0 H LYS A 83 2.793 -4.524 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 83 0.922 -5.834 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.277 -7.425 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.568 -7.108 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.142 -4.590 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.734 -5.101 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.696 -6.469 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.101 -5.973 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.730 -3.566 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.317 -4.072 -11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.818 -3.724 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.265 -5.359 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.272 -4.870 -12.271 1.00 0.00 H new ATOM 1439 N ASN A 84 3.180 -7.583 -4.910 1.00 0.00 N ATOM 1440 CA ASN A 84 3.565 -8.758 -4.079 1.00 0.00 C ATOM 1441 C ASN A 84 3.680 -8.317 -2.623 1.00 0.00 C ATOM 1442 O ASN A 84 3.613 -9.118 -1.711 1.00 0.00 O ATOM 1443 CB ASN A 84 4.915 -9.283 -4.565 1.00 0.00 C ATOM 1444 CG ASN A 84 4.742 -9.950 -5.931 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.183 -11.064 -6.137 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.114 -9.311 -6.880 1.00 0.00 N ATOM 0 H ASN A 84 3.832 -6.800 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 84 2.815 -9.544 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.631 -8.464 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.319 -9.998 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.993 -9.746 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.744 -8.376 -6.707 1.00 0.00 H new ATOM 1453 N ARG A 85 3.846 -7.036 -2.407 1.00 0.00 N ATOM 1454 CA ARG A 85 3.968 -6.482 -1.020 1.00 0.00 C ATOM 1455 C ARG A 85 2.793 -5.540 -0.777 1.00 0.00 C ATOM 1456 O ARG A 85 1.996 -5.294 -1.661 1.00 0.00 O ATOM 1457 CB ARG A 85 5.292 -5.710 -0.886 1.00 0.00 C ATOM 1458 CG ARG A 85 6.434 -6.496 -1.547 1.00 0.00 C ATOM 1459 CD ARG A 85 6.625 -7.838 -0.832 1.00 0.00 C ATOM 1460 NE ARG A 85 7.906 -8.458 -1.275 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.220 -9.661 -0.880 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.418 -10.320 -0.089 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.338 -10.207 -1.276 1.00 0.00 N ATOM 0 H ARG A 85 3.903 -6.336 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 85 3.958 -7.290 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.198 -4.729 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.518 -5.542 0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.210 -6.664 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.357 -5.917 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.635 -7.689 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.790 -8.503 -1.054 1.00 0.00 H new ATOM 0 HE ARG A 85 8.537 -7.941 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.544 -9.895 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.665 -11.261 0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.966 -9.693 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.584 -11.148 -0.967 1.00 0.00 H new ATOM 1477 N SER A 86 2.677 -5.020 0.418 1.00 0.00 N ATOM 1478 CA SER A 86 1.552 -4.097 0.752 1.00 0.00 C ATOM 1479 C SER A 86 2.129 -2.822 1.353 1.00 0.00 C ATOM 1480 O SER A 86 3.222 -2.806 1.880 1.00 0.00 O ATOM 1481 CB SER A 86 0.623 -4.773 1.770 1.00 0.00 C ATOM 1482 OG SER A 86 1.408 -5.504 2.703 1.00 0.00 O ATOM 0 H SER A 86 3.323 -5.199 1.187 1.00 0.00 H new ATOM 0 HA SER A 86 0.984 -3.858 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.024 -4.024 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.072 -5.440 1.260 1.00 0.00 H new ATOM 0 HG SER A 86 1.034 -5.395 3.602 1.00 0.00 H new ATOM 1488 N ASP A 87 1.395 -1.759 1.282 1.00 0.00 N ATOM 1489 CA ASP A 87 1.889 -0.480 1.849 1.00 0.00 C ATOM 1490 C ASP A 87 2.195 -0.695 3.328 1.00 0.00 C ATOM 1491 O ASP A 87 3.065 -0.068 3.898 1.00 0.00 O ATOM 1492 CB ASP A 87 0.820 0.604 1.682 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.545 0.043 2.088 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.573 -1.026 2.676 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.537 0.692 1.804 1.00 0.00 O ATOM 0 H ASP A 87 0.470 -1.717 0.855 1.00 0.00 H new ATOM 0 HA ASP A 87 2.792 -0.159 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.066 1.470 2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.792 0.945 0.647 1.00 0.00 H new ATOM 1500 N ASN A 88 1.491 -1.599 3.942 1.00 0.00 N ATOM 1501 CA ASN A 88 1.737 -1.893 5.376 1.00 0.00 C ATOM 1502 C ASN A 88 3.084 -2.602 5.501 1.00 0.00 C ATOM 1503 O ASN A 88 3.777 -2.478 6.490 1.00 0.00 O ATOM 1504 CB ASN A 88 0.628 -2.801 5.909 1.00 0.00 C ATOM 1505 CG ASN A 88 0.739 -2.906 7.432 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.201 -3.904 7.951 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.335 -1.912 8.174 1.00 0.00 N ATOM 0 H ASN A 88 0.750 -2.151 3.509 1.00 0.00 H new ATOM 0 HA ASN A 88 1.747 -0.968 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.348 -2.402 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.707 -3.791 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.407 -1.972 9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.052 -1.075 7.738 1.00 0.00 H new ATOM 1514 N ASN A 89 3.466 -3.338 4.488 1.00 0.00 N ATOM 1515 CA ASN A 89 4.770 -4.046 4.524 1.00 0.00 C ATOM 1516 C ASN A 89 5.859 -3.062 4.109 1.00 0.00 C ATOM 1517 O ASN A 89 6.873 -2.920 4.753 1.00 0.00 O ATOM 1518 CB ASN A 89 4.722 -5.208 3.528 1.00 0.00 C ATOM 1519 CG ASN A 89 5.943 -6.108 3.727 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.790 -5.829 4.553 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.070 -7.184 3.001 1.00 0.00 N ATOM 0 H ASN A 89 2.924 -3.476 3.635 1.00 0.00 H new ATOM 0 HA ASN A 89 4.977 -4.429 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.807 -5.783 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.703 -4.825 2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.880 -7.791 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.359 -7.418 2.308 1.00 0.00 H new ATOM 1528 N ILE A 90 5.636 -2.376 3.032 1.00 0.00 N ATOM 1529 CA ILE A 90 6.633 -1.388 2.545 1.00 0.00 C ATOM 1530 C ILE A 90 6.844 -0.313 3.609 1.00 0.00 C ATOM 1531 O ILE A 90 7.939 -0.104 4.089 1.00 0.00 O ATOM 1532 CB ILE A 90 6.090 -0.749 1.273 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.828 -1.844 0.233 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.096 0.252 0.705 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.073 -1.287 -0.977 1.00 0.00 C ATOM 0 H ILE A 90 4.796 -2.457 2.459 1.00 0.00 H new ATOM 0 HA ILE A 90 7.585 -1.879 2.342 1.00 0.00 H new ATOM 0 HB ILE A 90 5.165 -0.224 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.775 -2.275 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.250 -2.650 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.692 0.699 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.286 1.034 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.029 -0.262 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.901 -2.086 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.116 -0.879 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.664 -0.499 -1.443 1.00 0.00 H new ATOM 1547 N ARG A 91 5.792 0.362 3.990 1.00 0.00 N ATOM 1548 CA ARG A 91 5.913 1.421 5.034 1.00 0.00 C ATOM 1549 C ARG A 91 6.658 0.844 6.237 1.00 0.00 C ATOM 1550 O ARG A 91 7.390 1.525 6.926 1.00 0.00 O ATOM 1551 CB ARG A 91 4.509 1.852 5.468 1.00 0.00 C ATOM 1552 CG ARG A 91 4.593 3.098 6.359 1.00 0.00 C ATOM 1553 CD ARG A 91 3.250 3.321 7.056 1.00 0.00 C ATOM 1554 NE ARG A 91 3.242 4.664 7.704 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.180 5.076 8.341 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.123 4.314 8.411 1.00 0.00 N ATOM 1557 NH2 ARG A 91 2.175 6.252 8.908 1.00 0.00 N ATOM 0 H ARG A 91 4.851 0.225 3.622 1.00 0.00 H new ATOM 0 HA ARG A 91 6.457 2.279 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.897 2.063 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.022 1.041 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.383 2.975 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.852 3.970 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.437 3.249 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.082 2.544 7.802 1.00 0.00 H new ATOM 0 HE ARG A 91 4.067 5.261 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.126 3.395 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.294 4.637 8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.001 6.848 8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.345 6.575 9.406 1.00 0.00 H new ATOM 1571 N ASN A 92 6.456 -0.417 6.485 1.00 0.00 N ATOM 1572 CA ASN A 92 7.125 -1.080 7.639 1.00 0.00 C ATOM 1573 C ASN A 92 8.588 -1.378 7.301 1.00 0.00 C ATOM 1574 O ASN A 92 9.469 -1.176 8.114 1.00 0.00 O ATOM 1575 CB ASN A 92 6.400 -2.389 7.959 1.00 0.00 C ATOM 1576 CG ASN A 92 7.100 -3.093 9.123 1.00 0.00 C ATOM 1577 OD1 ASN A 92 6.864 -4.258 9.375 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.960 -2.431 9.848 1.00 0.00 N ATOM 0 H ASN A 92 5.850 -1.024 5.933 1.00 0.00 H new ATOM 0 HA ASN A 92 7.089 -0.416 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.360 -2.187 8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.392 -3.036 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.433 -2.892 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.159 -1.453 9.637 1.00 0.00 H new ATOM 1585 N ARG A 93 8.866 -1.862 6.117 1.00 0.00 N ATOM 1586 CA ARG A 93 10.286 -2.166 5.767 1.00 0.00 C ATOM 1587 C ARG A 93 11.049 -0.844 5.606 1.00 0.00 C ATOM 1588 O ARG A 93 12.143 -0.686 6.108 1.00 0.00 O ATOM 1589 CB ARG A 93 10.341 -2.988 4.457 1.00 0.00 C ATOM 1590 CG ARG A 93 10.389 -4.505 4.750 1.00 0.00 C ATOM 1591 CD ARG A 93 9.325 -4.912 5.794 1.00 0.00 C ATOM 1592 NE ARG A 93 9.941 -4.931 7.151 1.00 0.00 N ATOM 1593 CZ ARG A 93 9.286 -5.439 8.159 1.00 0.00 C ATOM 1594 NH1 ARG A 93 8.091 -5.932 7.980 1.00 0.00 N ATOM 1595 NH2 ARG A 93 9.826 -5.454 9.348 1.00 0.00 N ATOM 0 H ARG A 93 8.181 -2.058 5.387 1.00 0.00 H new ATOM 0 HA ARG A 93 10.748 -2.755 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.468 -2.761 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.219 -2.699 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.226 -5.061 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.380 -4.776 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.491 -4.210 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.921 -5.895 5.553 1.00 0.00 H new ATOM 0 HE ARG A 93 10.875 -4.547 7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.668 -5.920 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.580 -6.329 8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.760 -5.069 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.314 -5.851 10.136 1.00 0.00 H new ATOM 1609 N TRP A 94 10.482 0.105 4.915 1.00 0.00 N ATOM 1610 CA TRP A 94 11.179 1.408 4.733 1.00 0.00 C ATOM 1611 C TRP A 94 11.512 1.995 6.104 1.00 0.00 C ATOM 1612 O TRP A 94 12.539 2.616 6.292 1.00 0.00 O ATOM 1613 CB TRP A 94 10.268 2.374 3.971 1.00 0.00 C ATOM 1614 CG TRP A 94 10.994 3.659 3.733 1.00 0.00 C ATOM 1615 CD1 TRP A 94 10.728 4.829 4.358 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.098 3.925 2.819 1.00 0.00 C ATOM 1617 NE1 TRP A 94 11.598 5.796 3.885 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.461 5.287 2.935 1.00 0.00 C ATOM 1619 CE3 TRP A 94 12.810 3.123 1.909 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.496 5.835 2.175 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 13.852 3.671 1.143 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.194 5.024 1.276 1.00 0.00 C ATOM 0 H TRP A 94 9.567 0.035 4.469 1.00 0.00 H new ATOM 0 HA TRP A 94 12.097 1.256 4.166 1.00 0.00 H new ATOM 0 HB2 TRP A 94 9.966 1.933 3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.357 2.558 4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 94 9.962 4.983 5.104 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.601 6.766 4.200 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.554 2.080 1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.755 6.878 2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.393 3.046 0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 94 14.996 5.439 0.684 1.00 0.00 H new ATOM 1633 N MET A 95 10.652 1.799 7.067 1.00 0.00 N ATOM 1634 CA MET A 95 10.922 2.342 8.427 1.00 0.00 C ATOM 1635 C MET A 95 12.055 1.546 9.076 1.00 0.00 C ATOM 1636 O MET A 95 12.861 2.081 9.811 1.00 0.00 O ATOM 1637 CB MET A 95 9.658 2.223 9.283 1.00 0.00 C ATOM 1638 CG MET A 95 9.882 2.924 10.624 1.00 0.00 C ATOM 1639 SD MET A 95 8.340 2.920 11.571 1.00 0.00 S ATOM 1640 CE MET A 95 8.704 4.362 12.604 1.00 0.00 C ATOM 0 H MET A 95 9.775 1.287 6.970 1.00 0.00 H new ATOM 0 HA MET A 95 11.211 3.390 8.351 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.811 2.671 8.764 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.414 1.173 9.446 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.667 2.417 11.185 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.218 3.948 10.460 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.868 4.546 13.279 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.606 4.174 13.186 1.00 0.00 H new ATOM 0 HE3 MET A 95 8.857 5.235 11.969 1.00 0.00 H new ATOM 1650 N MET A 96 12.130 0.269 8.804 1.00 0.00 N ATOM 1651 CA MET A 96 13.215 -0.562 9.396 1.00 0.00 C ATOM 1652 C MET A 96 14.491 -0.348 8.589 1.00 0.00 C ATOM 1653 O MET A 96 15.588 -0.412 9.108 1.00 0.00 O ATOM 1654 CB MET A 96 12.816 -2.038 9.338 1.00 0.00 C ATOM 1655 CG MET A 96 13.875 -2.883 10.048 1.00 0.00 C ATOM 1656 SD MET A 96 13.337 -4.610 10.099 1.00 0.00 S ATOM 1657 CE MET A 96 14.953 -5.342 10.451 1.00 0.00 C ATOM 0 H MET A 96 11.484 -0.234 8.195 1.00 0.00 H new ATOM 0 HA MET A 96 13.379 -0.275 10.435 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.844 -2.182 9.811 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.716 -2.358 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.829 -2.804 9.526 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.034 -2.511 11.060 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.853 -6.425 10.526 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.647 -5.096 9.647 1.00 0.00 H new ATOM 0 HE3 MET A 96 15.334 -4.947 11.393 1.00 0.00 H new ATOM 1667 N ILE A 97 14.354 -0.087 7.315 1.00 0.00 N ATOM 1668 CA ILE A 97 15.549 0.142 6.458 1.00 0.00 C ATOM 1669 C ILE A 97 15.974 1.603 6.584 1.00 0.00 C ATOM 1670 O ILE A 97 17.141 1.931 6.512 1.00 0.00 O ATOM 1671 CB ILE A 97 15.199 -0.171 5.000 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.837 -1.656 4.872 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.403 0.141 4.103 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.214 -1.916 3.498 1.00 0.00 C ATOM 0 H ILE A 97 13.459 -0.023 6.831 1.00 0.00 H new ATOM 0 HA ILE A 97 16.365 -0.507 6.776 1.00 0.00 H new ATOM 0 HB ILE A 97 14.351 0.440 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.728 -2.270 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.138 -1.940 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.152 -0.082 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.661 1.196 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.253 -0.469 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 97 13.957 -2.972 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.313 -1.313 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.928 -1.649 2.719 1.00 0.00 H new ATOM 1686 N ALA A 98 15.030 2.485 6.778 1.00 0.00 N ATOM 1687 CA ALA A 98 15.376 3.925 6.917 1.00 0.00 C ATOM 1688 C ALA A 98 15.984 4.156 8.298 1.00 0.00 C ATOM 1689 O ALA A 98 16.633 5.152 8.548 1.00 0.00 O ATOM 1690 CB ALA A 98 14.115 4.777 6.766 1.00 0.00 C ATOM 0 H ALA A 98 14.036 2.268 6.846 1.00 0.00 H new ATOM 0 HA ALA A 98 16.091 4.207 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.374 5.831 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.675 4.605 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.396 4.503 7.538 1.00 0.00 H new ATOM 1696 N ARG A 99 15.785 3.231 9.198 1.00 0.00 N ATOM 1697 CA ARG A 99 16.357 3.380 10.561 1.00 0.00 C ATOM 1698 C ARG A 99 17.855 3.122 10.470 1.00 0.00 C ATOM 1699 O ARG A 99 18.632 3.535 11.309 1.00 0.00 O ATOM 1700 CB ARG A 99 15.703 2.357 11.505 1.00 0.00 C ATOM 1701 CG ARG A 99 16.072 2.659 12.976 1.00 0.00 C ATOM 1702 CD ARG A 99 15.140 3.729 13.564 1.00 0.00 C ATOM 1703 NE ARG A 99 15.422 3.882 15.019 1.00 0.00 N ATOM 1704 CZ ARG A 99 14.638 4.614 15.762 1.00 0.00 C ATOM 1705 NH1 ARG A 99 13.606 5.212 15.233 1.00 0.00 N ATOM 1706 NH2 ARG A 99 14.886 4.748 17.037 1.00 0.00 N ATOM 0 H ARG A 99 15.249 2.377 9.044 1.00 0.00 H new ATOM 0 HA ARG A 99 16.171 4.381 10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.620 2.383 11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.029 1.351 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.004 1.746 13.568 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.106 2.999 13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.289 4.679 13.051 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.099 3.444 13.412 1.00 0.00 H new ATOM 0 HE ARG A 99 16.228 3.415 15.434 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.411 5.108 14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.994 5.784 15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.692 4.281 17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.273 5.320 17.618 1.00 0.00 H new ATOM 1720 N HIS A 100 18.261 2.438 9.438 1.00 0.00 N ATOM 1721 CA HIS A 100 19.699 2.130 9.245 1.00 0.00 C ATOM 1722 C HIS A 100 20.374 3.326 8.573 1.00 0.00 C ATOM 1723 O HIS A 100 21.531 3.613 8.806 1.00 0.00 O ATOM 1724 CB HIS A 100 19.820 0.895 8.346 1.00 0.00 C ATOM 1725 CG HIS A 100 19.459 -0.341 9.126 1.00 0.00 C ATOM 1726 ND1 HIS A 100 18.238 -0.983 8.975 1.00 0.00 N ATOM 1727 CD2 HIS A 100 20.150 -1.064 10.068 1.00 0.00 C ATOM 1728 CE1 HIS A 100 18.230 -2.042 9.806 1.00 0.00 C ATOM 1729 NE2 HIS A 100 19.370 -2.135 10.493 1.00 0.00 N ATOM 0 H HIS A 100 17.645 2.075 8.710 1.00 0.00 H new ATOM 0 HA HIS A 100 20.179 1.933 10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.162 0.996 7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 100 20.837 0.811 7.963 1.00 0.00 H new ATOM 0 HD1 HIS A 100 17.484 -0.703 8.348 1.00 0.00 H new ATOM 0 HD2 HIS A 100 21.144 -0.836 10.423 1.00 0.00 H new ATOM 0 HE1 HIS A 100 17.404 -2.731 9.904 1.00 0.00 H new ATOM 1738 N ARG A 101 19.653 4.028 7.740 1.00 0.00 N ATOM 1739 CA ARG A 101 20.241 5.211 7.051 1.00 0.00 C ATOM 1740 C ARG A 101 20.186 6.415 7.989 1.00 0.00 C ATOM 1741 O ARG A 101 20.908 7.379 7.827 1.00 0.00 O ATOM 1742 CB ARG A 101 19.436 5.514 5.785 1.00 0.00 C ATOM 1743 CG ARG A 101 20.043 6.724 5.071 1.00 0.00 C ATOM 1744 CD ARG A 101 19.401 6.878 3.690 1.00 0.00 C ATOM 1745 NE ARG A 101 19.806 8.185 3.098 1.00 0.00 N ATOM 1746 CZ ARG A 101 19.299 9.296 3.557 1.00 0.00 C ATOM 1747 NH1 ARG A 101 18.435 9.265 4.535 1.00 0.00 N ATOM 1748 NH2 ARG A 101 19.655 10.439 3.038 1.00 0.00 N ATOM 0 H ARG A 101 18.680 3.832 7.507 1.00 0.00 H new ATOM 0 HA ARG A 101 21.276 5.003 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.440 4.648 5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 101 18.396 5.714 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.882 7.626 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.121 6.597 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.711 6.060 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.316 6.825 3.774 1.00 0.00 H new ATOM 0 HE ARG A 101 20.480 8.211 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.156 8.372 4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.039 10.134 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.330 10.464 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.259 11.308 3.397 1.00 0.00 H new ATOM 1762 N ALA A 102 19.330 6.364 8.975 1.00 0.00 N ATOM 1763 CA ALA A 102 19.221 7.502 9.931 1.00 0.00 C ATOM 1764 C ALA A 102 20.406 7.471 10.899 1.00 0.00 C ATOM 1765 O ALA A 102 20.881 8.496 11.348 1.00 0.00 O ATOM 1766 CB ALA A 102 17.916 7.379 10.719 1.00 0.00 C ATOM 0 H ALA A 102 18.701 5.582 9.159 1.00 0.00 H new ATOM 0 HA ALA A 102 19.227 8.443 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.834 8.210 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.072 7.400 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.911 6.439 11.270 1.00 0.00 H new ATOM 1772 N LYS A 103 20.886 6.302 11.226 1.00 0.00 N ATOM 1773 CA LYS A 103 22.036 6.201 12.162 1.00 0.00 C ATOM 1774 C LYS A 103 23.321 6.612 11.438 1.00 0.00 C ATOM 1775 O LYS A 103 24.413 6.312 11.875 1.00 0.00 O ATOM 1776 CB LYS A 103 22.156 4.754 12.646 1.00 0.00 C ATOM 1777 CG LYS A 103 21.028 4.443 13.634 1.00 0.00 C ATOM 1778 CD LYS A 103 21.199 3.023 14.174 1.00 0.00 C ATOM 1779 CE LYS A 103 20.194 2.781 15.303 1.00 0.00 C ATOM 1780 NZ LYS A 103 20.574 3.600 16.489 1.00 0.00 N ATOM 0 H LYS A 103 20.528 5.411 10.883 1.00 0.00 H new ATOM 0 HA LYS A 103 21.880 6.862 13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.107 4.072 11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.123 4.600 13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.042 5.160 14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.061 4.542 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.046 2.298 13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.216 2.882 14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.189 3.044 14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.176 1.724 15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.169 3.176 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.610 3.629 16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.208 4.567 16.375 1.00 0.00 H new ATOM 1794 N HIS A 104 23.195 7.295 10.331 1.00 0.00 N ATOM 1795 CA HIS A 104 24.403 7.727 9.573 1.00 0.00 C ATOM 1796 C HIS A 104 25.327 6.527 9.353 1.00 0.00 C ATOM 1797 O HIS A 104 26.522 6.673 9.179 1.00 0.00 O ATOM 1798 CB HIS A 104 25.141 8.807 10.366 1.00 0.00 C ATOM 1799 CG HIS A 104 24.315 10.064 10.394 1.00 0.00 C ATOM 1800 ND1 HIS A 104 24.840 11.286 10.790 1.00 0.00 N ATOM 1801 CD2 HIS A 104 22.999 10.304 10.081 1.00 0.00 C ATOM 1802 CE1 HIS A 104 23.854 12.198 10.705 1.00 0.00 C ATOM 1803 NE2 HIS A 104 22.714 11.651 10.278 1.00 0.00 N ATOM 0 H HIS A 104 22.304 7.573 9.919 1.00 0.00 H new ATOM 0 HA HIS A 104 24.101 8.130 8.606 1.00 0.00 H new ATOM 0 HB2 HIS A 104 25.330 8.461 11.382 1.00 0.00 H new ATOM 0 HB3 HIS A 104 26.111 9.007 9.912 1.00 0.00 H new ATOM 0 HD2 HIS A 104 22.295 9.562 9.735 1.00 0.00 H new ATOM 0 HE1 HIS A 104 23.971 13.243 10.952 1.00 0.00 H new ATOM 0 HE2 HIS A 104 21.822 12.122 10.128 1.00 0.00 H new ATOM 1812 N GLN A 105 24.780 5.344 9.359 1.00 0.00 N ATOM 1813 CA GLN A 105 25.618 4.131 9.151 1.00 0.00 C ATOM 1814 C GLN A 105 26.422 4.278 7.858 1.00 0.00 C ATOM 1815 O GLN A 105 27.402 3.593 7.643 1.00 0.00 O ATOM 1816 CB GLN A 105 24.710 2.904 9.051 1.00 0.00 C ATOM 1817 CG GLN A 105 25.564 1.649 8.855 1.00 0.00 C ATOM 1818 CD GLN A 105 24.685 0.406 8.997 1.00 0.00 C ATOM 1819 OE1 GLN A 105 24.856 -0.374 9.913 1.00 0.00 O ATOM 1820 NE2 GLN A 105 23.742 0.184 8.121 1.00 0.00 N ATOM 0 H GLN A 105 23.786 5.164 9.499 1.00 0.00 H new ATOM 0 HA GLN A 105 26.304 4.013 9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 105 24.108 2.809 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 105 24.017 3.019 8.217 1.00 0.00 H new ATOM 0 HG2 GLN A 105 26.033 1.665 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 105 26.368 1.625 9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 105 23.597 0.837 7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.151 -0.643 8.207 1.00 0.00 H new ATOM 1829 N LYS A 106 26.016 5.169 6.995 1.00 0.00 N ATOM 1830 CA LYS A 106 26.758 5.361 5.717 1.00 0.00 C ATOM 1831 C LYS A 106 28.230 5.646 6.021 1.00 0.00 C ATOM 1832 O LYS A 106 29.076 5.590 5.150 1.00 0.00 O ATOM 1833 CB LYS A 106 26.156 6.540 4.949 1.00 0.00 C ATOM 1834 CG LYS A 106 24.764 6.161 4.431 1.00 0.00 C ATOM 1835 CD LYS A 106 24.026 7.417 3.950 1.00 0.00 C ATOM 1836 CE LYS A 106 24.755 8.032 2.748 1.00 0.00 C ATOM 1837 NZ LYS A 106 23.841 8.979 2.049 1.00 0.00 N ATOM 0 H LYS A 106 25.203 5.772 7.120 1.00 0.00 H new ATOM 0 HA LYS A 106 26.681 4.458 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 106 26.088 7.413 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 106 26.803 6.812 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 106 24.853 5.445 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 106 24.193 5.673 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 106 23.003 7.163 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 106 23.966 8.145 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 106 25.653 8.554 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 106 25.077 7.248 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 24.332 9.398 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.997 8.468 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 23.555 9.733 2.705 1.00 0.00 H new ATOM 1851 N SER A 107 28.543 5.953 7.250 1.00 0.00 N ATOM 1852 CA SER A 107 29.961 6.242 7.608 1.00 0.00 C ATOM 1853 C SER A 107 30.828 5.025 7.278 1.00 0.00 C ATOM 1854 O SER A 107 31.574 5.098 6.316 1.00 0.00 O ATOM 1855 CB SER A 107 30.056 6.547 9.103 1.00 0.00 C ATOM 1856 OG SER A 107 31.377 6.970 9.412 1.00 0.00 O ATOM 1857 OXT SER A 107 30.732 4.042 7.994 1.00 0.00 O ATOM 0 H SER A 107 27.879 6.016 8.021 1.00 0.00 H new ATOM 0 HA SER A 107 30.312 7.103 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 107 29.340 7.323 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 107 29.800 5.661 9.684 1.00 0.00 H new ATOM 0 HG SER A 107 31.442 7.168 10.370 1.00 0.00 H new TER 1863 SER A 107