USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.508 USER MOD Set 1.2: A 103 THR OG1 : rot -72:sc= 0.551 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.236 USER MOD Set 2.2: A 18 THR OG1 : rot -71:sc= 0.24 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.566 K(o=0.57,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc=-0.00479 X(o=-0.0048,f=-0.26) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 123:sc= 0.944 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0.912 (180deg=0.906) USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.645) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0.96 (180deg=0.941) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.21) USER MOD Single : A 45 MET CE :methyl -129:sc= -0.0264 (180deg=-0.679) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0.924 (180deg=0.913) USER MOD Single : A 82 ASN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00201 K(o=-0.002,f=-1.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.685 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.594 8.672 1.006 1.00 0.00 N ATOM 61 CA LYS A 5 12.577 8.615 2.045 1.00 0.00 C ATOM 62 C LYS A 5 11.232 8.925 1.382 1.00 0.00 C ATOM 63 O LYS A 5 11.124 9.878 0.602 1.00 0.00 O ATOM 64 CB LYS A 5 12.876 9.600 3.177 1.00 0.00 C ATOM 65 CG LYS A 5 11.926 9.504 4.363 1.00 0.00 C ATOM 66 CD LYS A 5 12.354 10.429 5.492 1.00 0.00 C ATOM 67 CE LYS A 5 11.664 11.780 5.393 1.00 0.00 C ATOM 68 NZ LYS A 5 12.211 12.758 6.373 1.00 0.00 N ATOM 0 HA LYS A 5 12.559 7.625 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.894 9.432 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.839 10.614 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.916 9.760 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.895 8.476 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.119 9.968 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.435 10.567 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.781 12.174 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.595 11.655 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.713 13.666 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.076 12.395 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.226 12.898 6.194 1.00 0.00 H new ATOM 82 N VAL A 6 10.233 8.103 1.679 1.00 0.00 N ATOM 83 CA VAL A 6 8.880 8.246 1.123 1.00 0.00 C ATOM 84 C VAL A 6 7.866 8.175 2.266 1.00 0.00 C ATOM 85 O VAL A 6 8.062 7.440 3.235 1.00 0.00 O ATOM 86 CB VAL A 6 8.561 7.158 0.080 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.800 5.774 0.665 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.126 7.290 -0.404 1.00 0.00 C ATOM 0 H VAL A 6 10.332 7.312 2.315 1.00 0.00 H new ATOM 0 HA VAL A 6 8.823 9.209 0.615 1.00 0.00 H new ATOM 0 HB VAL A 6 9.226 7.292 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.570 5.017 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.844 5.681 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.158 5.631 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.917 6.514 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.446 7.181 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.984 8.270 -0.860 1.00 0.00 H new ATOM 98 N GLU A 7 6.792 8.960 2.157 1.00 0.00 N ATOM 99 CA GLU A 7 5.663 8.890 3.087 1.00 0.00 C ATOM 100 C GLU A 7 4.502 8.183 2.374 1.00 0.00 C ATOM 101 O GLU A 7 4.119 8.547 1.257 1.00 0.00 O ATOM 102 CB GLU A 7 5.246 10.283 3.562 1.00 0.00 C ATOM 103 CG GLU A 7 6.250 10.961 4.482 1.00 0.00 C ATOM 104 CD GLU A 7 5.728 12.278 4.986 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.636 12.641 4.620 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.369 12.868 5.823 1.00 0.00 O ATOM 0 H GLU A 7 6.681 9.660 1.424 1.00 0.00 H new ATOM 0 HA GLU A 7 5.954 8.329 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.085 10.917 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.291 10.205 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.471 10.308 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.187 11.119 3.948 1.00 0.00 H new ATOM 113 N VAL A 8 3.976 7.153 3.039 1.00 0.00 N ATOM 114 CA VAL A 8 2.912 6.289 2.529 1.00 0.00 C ATOM 115 C VAL A 8 1.697 6.392 3.463 1.00 0.00 C ATOM 116 O VAL A 8 1.809 6.131 4.661 1.00 0.00 O ATOM 117 CB VAL A 8 3.363 4.820 2.422 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.213 3.943 1.948 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.550 4.695 1.478 1.00 0.00 C ATOM 0 H VAL A 8 4.288 6.890 3.974 1.00 0.00 H new ATOM 0 HA VAL A 8 2.652 6.624 1.525 1.00 0.00 H new ATOM 0 HB VAL A 8 3.671 4.481 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.549 2.909 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.388 4.009 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.877 4.282 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.856 3.651 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.266 5.051 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.379 5.293 1.855 1.00 0.00 H new ATOM 129 N GLN A 9 0.550 6.781 2.901 1.00 0.00 N ATOM 130 CA GLN A 9 -0.718 6.871 3.633 1.00 0.00 C ATOM 131 C GLN A 9 -1.579 5.669 3.236 1.00 0.00 C ATOM 132 O GLN A 9 -1.932 5.520 2.061 1.00 0.00 O ATOM 133 CB GLN A 9 -1.449 8.181 3.327 1.00 0.00 C ATOM 134 CG GLN A 9 -2.753 8.357 4.084 1.00 0.00 C ATOM 135 CD GLN A 9 -3.372 9.724 3.860 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.755 10.610 3.263 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.596 9.905 4.343 1.00 0.00 N ATOM 0 H GLN A 9 0.473 7.044 1.919 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.522 6.861 4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.789 9.016 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.653 8.229 2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.458 7.586 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.574 8.212 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.070 9.144 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.062 10.805 4.227 1.00 0.00 H new ATOM 146 N VAL A 10 -1.879 4.793 4.203 1.00 0.00 N ATOM 147 CA VAL A 10 -2.682 3.588 3.960 1.00 0.00 C ATOM 148 C VAL A 10 -4.025 3.745 4.685 1.00 0.00 C ATOM 149 O VAL A 10 -4.073 3.967 5.901 1.00 0.00 O ATOM 150 CB VAL A 10 -1.976 2.308 4.442 1.00 0.00 C ATOM 151 CG1 VAL A 10 -2.860 1.092 4.210 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.642 2.136 3.732 1.00 0.00 C ATOM 0 H VAL A 10 -1.574 4.898 5.171 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.829 3.485 2.885 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.789 2.401 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.345 0.196 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.793 1.210 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.076 0.997 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.157 1.226 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.808 2.065 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.004 2.994 3.944 1.00 0.00 H new ATOM 162 N LYS A 11 -5.096 3.688 3.895 1.00 0.00 N ATOM 163 CA LYS A 11 -6.474 3.881 4.346 1.00 0.00 C ATOM 164 C LYS A 11 -7.236 2.583 4.082 1.00 0.00 C ATOM 165 O LYS A 11 -7.246 2.114 2.950 1.00 0.00 O ATOM 166 CB LYS A 11 -7.135 5.061 3.631 1.00 0.00 C ATOM 167 CG LYS A 11 -8.592 5.292 4.013 1.00 0.00 C ATOM 168 CD LYS A 11 -9.269 6.258 3.053 1.00 0.00 C ATOM 169 CE LYS A 11 -8.792 7.686 3.276 1.00 0.00 C ATOM 170 NZ LYS A 11 -9.497 8.652 2.391 1.00 0.00 N ATOM 0 H LYS A 11 -5.027 3.501 2.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.487 4.117 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.567 5.966 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.076 4.898 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.125 4.341 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.646 5.687 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.060 5.959 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.350 6.209 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.953 7.964 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.719 7.743 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.143 9.613 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.323 8.403 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.519 8.617 2.583 1.00 0.00 H new ATOM 184 N ILE A 12 -7.834 1.973 5.115 1.00 0.00 N ATOM 185 CA ILE A 12 -8.703 0.789 4.933 1.00 0.00 C ATOM 186 C ILE A 12 -10.073 1.002 5.604 1.00 0.00 C ATOM 187 O ILE A 12 -10.151 1.468 6.735 1.00 0.00 O ATOM 188 CB ILE A 12 -8.054 -0.485 5.503 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.978 -1.690 5.303 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.726 -0.301 6.977 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.311 -3.020 5.568 1.00 0.00 C ATOM 0 H ILE A 12 -7.736 2.274 6.084 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.841 0.661 3.859 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.124 -0.671 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.840 -1.589 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.356 -1.681 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.268 -1.211 7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.033 0.532 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.642 -0.092 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.028 -3.825 5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.466 -3.145 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.958 -3.051 6.599 1.00 0.00 H new ATOM 203 N THR A 13 -11.153 0.696 4.868 1.00 0.00 N ATOM 204 CA THR A 13 -12.530 0.841 5.358 1.00 0.00 C ATOM 205 C THR A 13 -13.061 -0.556 5.759 1.00 0.00 C ATOM 206 O THR A 13 -13.000 -1.500 4.961 1.00 0.00 O ATOM 207 CB THR A 13 -13.456 1.472 4.302 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.994 2.792 3.985 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.883 1.549 4.822 1.00 0.00 C ATOM 0 H THR A 13 -11.094 0.340 3.914 1.00 0.00 H new ATOM 0 HA THR A 13 -12.522 1.510 6.218 1.00 0.00 H new ATOM 0 HB THR A 13 -13.440 0.850 3.407 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.583 3.192 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.523 1.998 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.241 0.546 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.909 2.159 5.725 1.00 0.00 H new ATOM 217 N CYS A 14 -13.536 -0.671 7.010 1.00 0.00 N ATOM 218 CA CYS A 14 -13.998 -1.941 7.617 1.00 0.00 C ATOM 219 C CYS A 14 -15.026 -1.630 8.718 1.00 0.00 C ATOM 220 O CYS A 14 -14.824 -0.696 9.504 1.00 0.00 O ATOM 221 CB CYS A 14 -12.793 -2.735 8.194 1.00 0.00 C ATOM 222 SG CYS A 14 -13.205 -4.181 9.243 1.00 0.00 S ATOM 0 H CYS A 14 -13.613 0.126 7.642 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.470 -2.559 6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.179 -3.079 7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.180 -2.050 8.780 1.00 0.00 H new ATOM 227 N ASN A 15 -16.145 -2.395 8.714 1.00 0.00 N ATOM 228 CA ASN A 15 -17.250 -2.345 9.718 1.00 0.00 C ATOM 229 C ASN A 15 -18.200 -1.140 9.494 1.00 0.00 C ATOM 230 O ASN A 15 -19.390 -1.196 9.832 1.00 0.00 O ATOM 231 CB ASN A 15 -16.704 -2.311 11.134 1.00 0.00 C ATOM 232 CG ASN A 15 -17.710 -2.706 12.179 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.671 -1.978 12.452 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.449 -3.816 12.823 1.00 0.00 N ATOM 0 H ASN A 15 -16.314 -3.091 7.988 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.830 -3.258 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.845 -2.979 11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.344 -1.305 11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.052 -4.115 13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.643 -4.382 12.558 1.00 0.00 H new ATOM 241 N GLY A 16 -17.668 -0.070 8.911 1.00 0.00 N ATOM 242 CA GLY A 16 -18.378 1.195 8.743 1.00 0.00 C ATOM 243 C GLY A 16 -17.504 2.371 9.158 1.00 0.00 C ATOM 244 O GLY A 16 -17.912 3.525 9.036 1.00 0.00 O ATOM 0 H GLY A 16 -16.719 -0.056 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.680 1.311 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.290 1.186 9.340 1.00 0.00 H new ATOM 248 N LYS A 17 -16.278 2.059 9.646 1.00 0.00 N ATOM 249 CA LYS A 17 -15.286 3.055 10.072 1.00 0.00 C ATOM 250 C LYS A 17 -14.023 2.926 9.211 1.00 0.00 C ATOM 251 O LYS A 17 -13.550 1.813 8.931 1.00 0.00 O ATOM 252 CB LYS A 17 -14.944 2.887 11.553 1.00 0.00 C ATOM 253 CG LYS A 17 -14.001 3.947 12.105 1.00 0.00 C ATOM 254 CD LYS A 17 -13.831 3.808 13.610 1.00 0.00 C ATOM 255 CE LYS A 17 -12.828 4.817 14.151 1.00 0.00 C ATOM 256 NZ LYS A 17 -12.770 4.801 15.638 1.00 0.00 N ATOM 0 H LYS A 17 -15.955 1.097 9.753 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.710 4.050 9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.868 2.904 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.494 1.905 11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.030 3.861 11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.389 4.939 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.794 3.950 14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.498 2.798 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.840 4.598 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.098 5.816 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.075 5.502 15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.707 5.035 16.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.487 3.855 15.964 1.00 0.00 H new ATOM 270 N THR A 18 -13.484 4.084 8.806 1.00 0.00 N ATOM 271 CA THR A 18 -12.297 4.177 7.958 1.00 0.00 C ATOM 272 C THR A 18 -11.066 4.392 8.860 1.00 0.00 C ATOM 273 O THR A 18 -11.040 5.310 9.693 1.00 0.00 O ATOM 274 CB THR A 18 -12.405 5.321 6.934 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.494 5.064 6.039 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.116 5.446 6.137 1.00 0.00 C ATOM 0 H THR A 18 -13.869 4.993 9.064 1.00 0.00 H new ATOM 0 HA THR A 18 -12.203 3.250 7.392 1.00 0.00 H new ATOM 0 HB THR A 18 -12.580 6.254 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.257 4.327 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.210 6.260 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.288 5.655 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.924 4.513 5.606 1.00 0.00 H new ATOM 284 N TYR A 19 -10.063 3.518 8.701 1.00 0.00 N ATOM 285 CA TYR A 19 -8.831 3.521 9.502 1.00 0.00 C ATOM 286 C TYR A 19 -7.688 3.868 8.540 1.00 0.00 C ATOM 287 O TYR A 19 -7.428 3.125 7.583 1.00 0.00 O ATOM 288 CB TYR A 19 -8.614 2.123 10.169 1.00 0.00 C ATOM 289 CG TYR A 19 -9.814 1.639 11.008 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.982 2.025 12.337 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.795 0.808 10.449 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.083 1.601 13.069 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.882 0.387 11.177 1.00 0.00 C ATOM 294 CZ TYR A 19 -12.024 0.783 12.488 1.00 0.00 C ATOM 295 OH TYR A 19 -13.128 0.378 13.214 1.00 0.00 O ATOM 0 H TYR A 19 -10.085 2.777 8.001 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.881 4.248 10.312 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.407 1.388 9.391 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.732 2.169 10.807 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.246 2.663 12.804 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.694 0.491 9.422 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.201 1.914 14.096 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.623 -0.253 10.722 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.694 -0.195 12.656 1.00 0.00 H new ATOM 305 N GLU A 20 -7.054 5.022 8.774 1.00 0.00 N ATOM 306 CA GLU A 20 -5.948 5.520 7.941 1.00 0.00 C ATOM 307 C GLU A 20 -4.799 6.022 8.817 1.00 0.00 C ATOM 308 O GLU A 20 -5.028 6.575 9.907 1.00 0.00 O ATOM 309 CB GLU A 20 -6.429 6.636 7.012 1.00 0.00 C ATOM 310 CG GLU A 20 -6.909 7.889 7.729 1.00 0.00 C ATOM 311 CD GLU A 20 -7.132 9.020 6.765 1.00 0.00 C ATOM 312 OE1 GLU A 20 -6.857 8.847 5.601 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.683 10.018 7.167 1.00 0.00 O ATOM 0 H GLU A 20 -7.293 5.641 9.549 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.586 4.693 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.616 6.907 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.241 6.253 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.836 7.674 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.174 8.186 8.477 1.00 0.00 H new ATOM 320 N ARG A 21 -3.565 5.808 8.334 1.00 0.00 N ATOM 321 CA ARG A 21 -2.337 6.265 9.004 1.00 0.00 C ATOM 322 C ARG A 21 -1.230 6.491 7.960 1.00 0.00 C ATOM 323 O ARG A 21 -1.122 5.736 6.994 1.00 0.00 O ATOM 324 CB ARG A 21 -1.889 5.323 10.110 1.00 0.00 C ATOM 325 CG ARG A 21 -0.781 5.862 11.001 1.00 0.00 C ATOM 326 CD ARG A 21 -0.502 5.033 12.201 1.00 0.00 C ATOM 327 NE ARG A 21 0.568 5.538 13.047 1.00 0.00 N ATOM 328 CZ ARG A 21 0.728 5.225 14.347 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.127 4.440 14.965 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.756 5.748 14.993 1.00 0.00 N ATOM 0 H ARG A 21 -3.390 5.310 7.461 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.555 7.213 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.751 5.081 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.551 4.391 9.658 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.133 5.947 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.048 6.868 11.323 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.413 4.958 12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.247 4.023 11.878 1.00 0.00 H new ATOM 0 HE ARG A 21 1.245 6.174 12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.926 4.058 14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.009 4.213 15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.401 6.370 14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.904 5.530 15.978 1.00 0.00 H new ATOM 344 N THR A 22 -0.443 7.563 8.152 1.00 0.00 N ATOM 345 CA THR A 22 0.692 7.905 7.285 1.00 0.00 C ATOM 346 C THR A 22 2.006 7.422 7.944 1.00 0.00 C ATOM 347 O THR A 22 2.226 7.655 9.137 1.00 0.00 O ATOM 348 CB THR A 22 0.771 9.419 7.015 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.423 9.851 6.352 1.00 0.00 O ATOM 350 CG2 THR A 22 1.976 9.742 6.144 1.00 0.00 C ATOM 0 H THR A 22 -0.580 8.220 8.920 1.00 0.00 H new ATOM 0 HA THR A 22 0.547 7.406 6.327 1.00 0.00 H new ATOM 0 HB THR A 22 0.874 9.939 7.968 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.372 10.815 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.017 10.816 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.887 9.425 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.889 9.217 5.193 1.00 0.00 H new ATOM 358 N TYR A 23 2.848 6.722 7.162 1.00 0.00 N ATOM 359 CA TYR A 23 4.096 6.101 7.649 1.00 0.00 C ATOM 360 C TYR A 23 5.297 6.690 6.883 1.00 0.00 C ATOM 361 O TYR A 23 5.182 6.998 5.702 1.00 0.00 O ATOM 362 CB TYR A 23 4.051 4.580 7.486 1.00 0.00 C ATOM 363 CG TYR A 23 2.846 3.930 8.128 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.629 3.872 7.464 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.930 3.373 9.396 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.525 3.280 8.047 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.833 2.778 9.987 1.00 0.00 C ATOM 368 CZ TYR A 23 0.632 2.733 9.309 1.00 0.00 C ATOM 369 OH TYR A 23 -0.464 2.140 9.894 1.00 0.00 O ATOM 0 H TYR A 23 2.681 6.570 6.167 1.00 0.00 H new ATOM 0 HA TYR A 23 4.205 6.319 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.059 4.338 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.956 4.151 7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.543 4.297 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.869 3.405 9.929 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.416 3.246 7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.915 2.350 10.975 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.247 1.215 10.133 1.00 0.00 H new ATOM 379 N GLN A 24 6.446 6.798 7.557 1.00 0.00 N ATOM 380 CA GLN A 24 7.707 7.239 6.937 1.00 0.00 C ATOM 381 C GLN A 24 8.593 6.001 6.705 1.00 0.00 C ATOM 382 O GLN A 24 8.968 5.301 7.658 1.00 0.00 O ATOM 383 CB GLN A 24 8.433 8.258 7.819 1.00 0.00 C ATOM 384 CG GLN A 24 7.739 9.607 7.910 1.00 0.00 C ATOM 385 CD GLN A 24 8.388 10.523 8.930 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.376 10.159 9.573 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.833 11.719 9.089 1.00 0.00 N ATOM 0 H GLN A 24 6.532 6.582 8.550 1.00 0.00 H new ATOM 0 HA GLN A 24 7.490 7.730 5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.535 7.846 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.441 8.406 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.755 10.088 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.692 9.457 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.016 11.980 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.223 12.377 9.764 1.00 0.00 H new ATOM 396 N LEU A 25 8.895 5.733 5.425 1.00 0.00 N ATOM 397 CA LEU A 25 9.698 4.581 4.979 1.00 0.00 C ATOM 398 C LEU A 25 10.958 5.085 4.242 1.00 0.00 C ATOM 399 O LEU A 25 10.852 5.874 3.300 1.00 0.00 O ATOM 400 CB LEU A 25 8.843 3.664 4.041 1.00 0.00 C ATOM 401 CG LEU A 25 7.463 3.184 4.604 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.713 2.289 3.592 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.627 2.467 5.963 1.00 0.00 C ATOM 0 H LEU A 25 8.582 6.323 4.654 1.00 0.00 H new ATOM 0 HA LEU A 25 10.006 3.996 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.664 4.201 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.435 2.783 3.792 1.00 0.00 H new ATOM 0 HG LEU A 25 6.856 4.075 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.760 1.976 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.533 2.849 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.316 1.409 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.650 2.147 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.272 1.597 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.075 3.151 6.684 1.00 0.00 H new ATOM 415 N TYR A 26 12.150 4.666 4.704 1.00 0.00 N ATOM 416 CA TYR A 26 13.422 4.954 4.011 1.00 0.00 C ATOM 417 C TYR A 26 14.063 3.652 3.509 1.00 0.00 C ATOM 418 O TYR A 26 14.117 2.660 4.239 1.00 0.00 O ATOM 419 CB TYR A 26 14.391 5.695 4.935 1.00 0.00 C ATOM 420 CG TYR A 26 15.761 5.923 4.333 1.00 0.00 C ATOM 421 CD1 TYR A 26 16.000 7.001 3.494 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.809 5.058 4.608 1.00 0.00 C ATOM 423 CE1 TYR A 26 17.249 7.212 2.942 1.00 0.00 C ATOM 424 CE2 TYR A 26 18.062 5.260 4.062 1.00 0.00 C ATOM 425 CZ TYR A 26 18.279 6.339 3.229 1.00 0.00 C ATOM 426 OH TYR A 26 19.524 6.545 2.683 1.00 0.00 O ATOM 0 H TYR A 26 12.260 4.123 5.560 1.00 0.00 H new ATOM 0 HA TYR A 26 13.205 5.594 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.957 6.659 5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.501 5.128 5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 26 15.197 7.687 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.643 4.213 5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.418 8.056 2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.868 4.577 4.286 1.00 0.00 H new ATOM 0 HH TYR A 26 20.135 5.841 2.986 1.00 0.00 H new ATOM 436 N ALA A 27 14.581 3.690 2.267 1.00 0.00 N ATOM 437 CA ALA A 27 15.232 2.544 1.630 1.00 0.00 C ATOM 438 C ALA A 27 16.405 3.014 0.764 1.00 0.00 C ATOM 439 O ALA A 27 16.375 4.112 0.192 1.00 0.00 O ATOM 440 CB ALA A 27 14.220 1.757 0.794 1.00 0.00 C ATOM 0 H ALA A 27 14.556 4.523 1.680 1.00 0.00 H new ATOM 0 HA ALA A 27 15.622 1.884 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.717 0.907 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.417 1.398 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.804 2.404 0.022 1.00 0.00 H new ATOM 446 N VAL A 28 17.435 2.163 0.695 1.00 0.00 N ATOM 447 CA VAL A 28 18.597 2.325 -0.197 1.00 0.00 C ATOM 448 C VAL A 28 18.446 1.380 -1.420 1.00 0.00 C ATOM 449 O VAL A 28 19.032 1.603 -2.480 1.00 0.00 O ATOM 450 CB VAL A 28 19.923 2.028 0.527 1.00 0.00 C ATOM 451 CG1 VAL A 28 21.036 1.779 -0.480 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.293 3.176 1.454 1.00 0.00 C ATOM 0 H VAL A 28 17.488 1.322 1.270 1.00 0.00 H new ATOM 0 HA VAL A 28 18.625 3.364 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 28 19.793 1.128 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.966 1.571 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.776 0.926 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.165 2.662 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.233 2.949 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.405 4.091 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.507 3.312 2.197 1.00 0.00 H new ATOM 462 N ARG A 29 17.655 0.311 -1.239 1.00 0.00 N ATOM 463 CA ARG A 29 17.403 -0.708 -2.277 1.00 0.00 C ATOM 464 C ARG A 29 15.880 -0.888 -2.408 1.00 0.00 C ATOM 465 O ARG A 29 15.164 -0.724 -1.421 1.00 0.00 O ATOM 466 CB ARG A 29 18.119 -2.024 -2.010 1.00 0.00 C ATOM 467 CG ARG A 29 19.636 -1.931 -1.975 1.00 0.00 C ATOM 468 CD ARG A 29 20.307 -3.097 -1.345 1.00 0.00 C ATOM 469 NE ARG A 29 20.054 -3.241 0.079 1.00 0.00 N ATOM 470 CZ ARG A 29 20.363 -4.333 0.805 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.900 -5.392 0.240 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.090 -4.322 2.098 1.00 0.00 N ATOM 0 H ARG A 29 17.167 0.126 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 29 17.818 -0.361 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.772 -2.423 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.831 -2.740 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 29 20.005 -1.822 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.920 -1.028 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.982 -4.005 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.382 -3.011 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 29 19.611 -2.460 0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.089 -5.395 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.128 -6.211 0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.657 -3.501 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.313 -5.134 2.673 1.00 0.00 H new ATOM 486 N ASP A 30 15.394 -1.241 -3.608 1.00 0.00 N ATOM 487 CA ASP A 30 13.940 -1.435 -3.857 1.00 0.00 C ATOM 488 C ASP A 30 13.365 -2.556 -2.952 1.00 0.00 C ATOM 489 O ASP A 30 12.239 -2.438 -2.452 1.00 0.00 O ATOM 490 CB ASP A 30 13.686 -1.764 -5.330 1.00 0.00 C ATOM 491 CG ASP A 30 13.769 -0.565 -6.265 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.740 0.543 -5.784 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.016 -0.764 -7.431 1.00 0.00 O ATOM 0 H ASP A 30 15.980 -1.400 -4.428 1.00 0.00 H new ATOM 0 HA ASP A 30 13.431 -0.503 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.410 -2.512 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.698 -2.215 -5.424 1.00 0.00 H new ATOM 498 N GLU A 31 14.168 -3.622 -2.724 1.00 0.00 N ATOM 499 CA GLU A 31 13.778 -4.765 -1.868 1.00 0.00 C ATOM 500 C GLU A 31 13.567 -4.330 -0.397 1.00 0.00 C ATOM 501 O GLU A 31 12.723 -4.904 0.294 1.00 0.00 O ATOM 502 CB GLU A 31 14.834 -5.870 -1.941 1.00 0.00 C ATOM 503 CG GLU A 31 15.034 -6.457 -3.330 1.00 0.00 C ATOM 504 CD GLU A 31 13.734 -6.940 -3.912 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.042 -7.670 -3.245 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.379 -6.491 -4.976 1.00 0.00 O ATOM 0 H GLU A 31 15.101 -3.713 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 31 12.830 -5.149 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.785 -5.471 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.552 -6.671 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.471 -5.704 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.742 -7.284 -3.279 1.00 0.00 H new ATOM 513 N GLU A 32 14.323 -3.310 0.076 1.00 0.00 N ATOM 514 CA GLU A 32 14.193 -2.800 1.470 1.00 0.00 C ATOM 515 C GLU A 32 12.823 -2.124 1.673 1.00 0.00 C ATOM 516 O GLU A 32 12.190 -2.288 2.715 1.00 0.00 O ATOM 517 CB GLU A 32 15.318 -1.815 1.799 1.00 0.00 C ATOM 518 CG GLU A 32 16.705 -2.441 1.858 1.00 0.00 C ATOM 519 CD GLU A 32 17.763 -1.401 2.099 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.421 -0.248 2.218 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.900 -1.769 2.277 1.00 0.00 O ATOM 0 H GLU A 32 15.026 -2.824 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 32 14.270 -3.651 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.322 -1.023 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.104 -1.345 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.737 -3.186 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.911 -2.963 0.923 1.00 0.00 H new ATOM 528 N LEU A 33 12.392 -1.357 0.657 1.00 0.00 N ATOM 529 CA LEU A 33 11.093 -0.657 0.661 1.00 0.00 C ATOM 530 C LEU A 33 9.916 -1.660 0.545 1.00 0.00 C ATOM 531 O LEU A 33 8.909 -1.502 1.231 1.00 0.00 O ATOM 532 CB LEU A 33 11.054 0.418 -0.486 1.00 0.00 C ATOM 533 CG LEU A 33 10.185 1.703 -0.225 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.680 1.391 -0.088 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.695 2.489 1.005 1.00 0.00 C ATOM 0 H LEU A 33 12.935 -1.204 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 33 10.979 -0.140 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.077 0.735 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.684 -0.064 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 33 10.299 2.331 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.132 2.316 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.320 0.927 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.524 0.709 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.072 3.371 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.646 1.853 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.727 2.798 0.837 1.00 0.00 H new ATOM 547 N LYS A 34 10.085 -2.701 -0.298 1.00 0.00 N ATOM 548 CA LYS A 34 9.038 -3.719 -0.572 1.00 0.00 C ATOM 549 C LYS A 34 8.533 -4.402 0.716 1.00 0.00 C ATOM 550 O LYS A 34 7.322 -4.455 0.956 1.00 0.00 O ATOM 551 CB LYS A 34 9.567 -4.775 -1.543 1.00 0.00 C ATOM 552 CG LYS A 34 9.570 -4.342 -3.004 1.00 0.00 C ATOM 553 CD LYS A 34 10.278 -5.364 -3.882 1.00 0.00 C ATOM 554 CE LYS A 34 9.614 -6.729 -3.789 1.00 0.00 C ATOM 555 NZ LYS A 34 10.414 -7.784 -4.469 1.00 0.00 N ATOM 0 H LYS A 34 10.952 -2.863 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 34 8.194 -3.196 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.584 -5.040 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.962 -5.676 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.544 -4.211 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.063 -3.375 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.271 -5.024 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.322 -5.444 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.478 -6.996 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.621 -6.681 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.953 -8.707 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.480 -7.570 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.369 -7.814 -4.059 1.00 0.00 H new ATOM 569 N GLU A 35 9.482 -4.898 1.543 1.00 0.00 N ATOM 570 CA GLU A 35 9.166 -5.564 2.826 1.00 0.00 C ATOM 571 C GLU A 35 8.467 -4.606 3.807 1.00 0.00 C ATOM 572 O GLU A 35 7.601 -5.026 4.571 1.00 0.00 O ATOM 573 CB GLU A 35 10.439 -6.124 3.466 1.00 0.00 C ATOM 574 CG GLU A 35 11.516 -5.083 3.740 1.00 0.00 C ATOM 575 CD GLU A 35 12.738 -5.710 4.350 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.754 -6.907 4.506 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.701 -5.008 4.557 1.00 0.00 O ATOM 0 H GLU A 35 10.481 -4.848 1.341 1.00 0.00 H new ATOM 0 HA GLU A 35 8.481 -6.383 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.175 -6.612 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.852 -6.893 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.787 -4.583 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.124 -4.318 4.410 1.00 0.00 H new ATOM 584 N LYS A 36 8.852 -3.311 3.742 1.00 0.00 N ATOM 585 CA LYS A 36 8.273 -2.247 4.578 1.00 0.00 C ATOM 586 C LYS A 36 6.795 -2.053 4.231 1.00 0.00 C ATOM 587 O LYS A 36 5.959 -1.966 5.118 1.00 0.00 O ATOM 588 CB LYS A 36 9.038 -0.935 4.400 1.00 0.00 C ATOM 589 CG LYS A 36 10.395 -0.899 5.090 1.00 0.00 C ATOM 590 CD LYS A 36 10.981 0.506 5.085 1.00 0.00 C ATOM 591 CE LYS A 36 12.190 0.605 6.003 1.00 0.00 C ATOM 592 NZ LYS A 36 13.446 0.200 5.315 1.00 0.00 N ATOM 0 H LYS A 36 9.576 -2.979 3.105 1.00 0.00 H new ATOM 0 HA LYS A 36 8.356 -2.547 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.181 -0.754 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.427 -0.118 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.292 -1.249 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.079 -1.583 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.270 0.778 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.221 1.220 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.288 1.629 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.035 -0.028 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.100 -0.221 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.227 -0.498 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.890 1.035 4.882 1.00 0.00 H new ATOM 606 N LEU A 37 6.516 -2.016 2.909 1.00 0.00 N ATOM 607 CA LEU A 37 5.155 -1.894 2.356 1.00 0.00 C ATOM 608 C LEU A 37 4.278 -3.069 2.798 1.00 0.00 C ATOM 609 O LEU A 37 3.138 -2.865 3.190 1.00 0.00 O ATOM 610 CB LEU A 37 5.204 -1.812 0.824 1.00 0.00 C ATOM 611 CG LEU A 37 5.764 -0.501 0.258 1.00 0.00 C ATOM 612 CD1 LEU A 37 6.001 -0.638 -1.239 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.794 0.634 0.548 1.00 0.00 C ATOM 0 H LEU A 37 7.239 -2.071 2.191 1.00 0.00 H new ATOM 0 HA LEU A 37 4.714 -0.975 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.809 -2.638 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.196 -1.955 0.436 1.00 0.00 H new ATOM 0 HG LEU A 37 6.718 -0.277 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.399 0.298 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.715 -1.441 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.059 -0.869 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.193 1.565 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.833 0.419 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.660 0.732 1.625 1.00 0.00 H new ATOM 625 N LYS A 38 4.853 -4.294 2.747 1.00 0.00 N ATOM 626 CA LYS A 38 4.171 -5.534 3.173 1.00 0.00 C ATOM 627 C LYS A 38 3.749 -5.460 4.654 1.00 0.00 C ATOM 628 O LYS A 38 2.608 -5.752 4.981 1.00 0.00 O ATOM 629 CB LYS A 38 5.074 -6.747 2.946 1.00 0.00 C ATOM 630 CG LYS A 38 5.201 -7.172 1.489 1.00 0.00 C ATOM 631 CD LYS A 38 6.252 -8.259 1.319 1.00 0.00 C ATOM 632 CE LYS A 38 5.875 -9.519 2.084 1.00 0.00 C ATOM 633 NZ LYS A 38 6.888 -10.596 1.916 1.00 0.00 N ATOM 0 H LYS A 38 5.803 -4.448 2.409 1.00 0.00 H new ATOM 0 HA LYS A 38 3.271 -5.642 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.067 -6.523 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.687 -7.586 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.238 -7.535 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.465 -6.309 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.367 -8.494 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.217 -7.893 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.769 -9.283 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.905 -9.876 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.553 -11.463 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.033 -10.781 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.787 -10.297 2.345 1.00 0.00 H new ATOM 647 N LYS A 39 4.687 -5.032 5.515 1.00 0.00 N ATOM 648 CA LYS A 39 4.467 -4.913 6.971 1.00 0.00 C ATOM 649 C LYS A 39 3.412 -3.840 7.323 1.00 0.00 C ATOM 650 O LYS A 39 2.586 -4.070 8.201 1.00 0.00 O ATOM 651 CB LYS A 39 5.785 -4.594 7.677 1.00 0.00 C ATOM 652 CG LYS A 39 6.767 -5.758 7.732 1.00 0.00 C ATOM 653 CD LYS A 39 8.032 -5.380 8.487 1.00 0.00 C ATOM 654 CE LYS A 39 9.026 -6.532 8.516 1.00 0.00 C ATOM 655 NZ LYS A 39 10.270 -6.177 9.251 1.00 0.00 N ATOM 0 H LYS A 39 5.624 -4.757 5.222 1.00 0.00 H new ATOM 0 HA LYS A 39 4.084 -5.873 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.262 -3.756 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.569 -4.269 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.294 -6.613 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.024 -6.067 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.493 -4.512 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.777 -5.092 9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.562 -7.399 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.278 -6.819 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.919 -6.989 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.727 -5.366 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.034 -5.928 10.233 1.00 0.00 H new ATOM 669 N VAL A 40 3.472 -2.667 6.651 1.00 0.00 N ATOM 670 CA VAL A 40 2.518 -1.551 6.874 1.00 0.00 C ATOM 671 C VAL A 40 1.088 -1.980 6.494 1.00 0.00 C ATOM 672 O VAL A 40 0.139 -1.753 7.251 1.00 0.00 O ATOM 673 CB VAL A 40 2.901 -0.297 6.064 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.763 0.712 6.077 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.173 0.327 6.618 1.00 0.00 C ATOM 0 H VAL A 40 4.178 -2.466 5.943 1.00 0.00 H new ATOM 0 HA VAL A 40 2.561 -1.302 7.934 1.00 0.00 H new ATOM 0 HB VAL A 40 3.085 -0.596 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.050 1.591 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.873 0.263 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.549 1.006 7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.429 1.211 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.015 0.612 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.988 -0.395 6.559 1.00 0.00 H new ATOM 685 N LEU A 41 0.966 -2.610 5.310 1.00 0.00 N ATOM 686 CA LEU A 41 -0.316 -3.083 4.771 1.00 0.00 C ATOM 687 C LEU A 41 -0.894 -4.180 5.669 1.00 0.00 C ATOM 688 O LEU A 41 -2.052 -4.107 6.020 1.00 0.00 O ATOM 689 CB LEU A 41 -0.140 -3.598 3.336 1.00 0.00 C ATOM 690 CG LEU A 41 0.136 -2.517 2.283 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.498 -3.163 0.954 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.090 -1.628 2.134 1.00 0.00 C ATOM 0 H LEU A 41 1.760 -2.804 4.700 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.015 -2.247 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.682 -4.314 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.041 -4.141 3.049 1.00 0.00 H new ATOM 0 HG LEU A 41 0.978 -1.903 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.692 -2.387 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.390 -3.777 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.328 -3.788 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.894 -0.860 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.941 -2.232 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.314 -1.154 3.090 1.00 0.00 H new ATOM 704 N ASN A 42 -0.050 -5.145 6.087 1.00 0.00 N ATOM 705 CA ASN A 42 -0.444 -6.213 7.039 1.00 0.00 C ATOM 706 C ASN A 42 -0.813 -5.638 8.418 1.00 0.00 C ATOM 707 O ASN A 42 -1.746 -6.115 9.042 1.00 0.00 O ATOM 708 CB ASN A 42 0.649 -7.255 7.188 1.00 0.00 C ATOM 709 CG ASN A 42 0.157 -8.579 7.705 1.00 0.00 C ATOM 710 OD1 ASN A 42 -0.906 -8.667 8.330 1.00 0.00 O ATOM 711 ND2 ASN A 42 0.964 -9.592 7.521 1.00 0.00 N ATOM 0 H ASN A 42 0.920 -5.209 5.778 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.328 -6.695 6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.127 -7.408 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.413 -6.872 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.727 -10.508 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.830 -9.466 6.997 1.00 0.00 H new ATOM 718 N GLU A 43 -0.078 -4.602 8.862 1.00 0.00 N ATOM 719 CA GLU A 43 -0.293 -3.964 10.181 1.00 0.00 C ATOM 720 C GLU A 43 -1.712 -3.376 10.258 1.00 0.00 C ATOM 721 O GLU A 43 -2.353 -3.415 11.312 1.00 0.00 O ATOM 722 CB GLU A 43 0.748 -2.872 10.437 1.00 0.00 C ATOM 723 CG GLU A 43 0.679 -2.251 11.826 1.00 0.00 C ATOM 724 CD GLU A 43 -0.223 -1.049 11.844 1.00 0.00 C ATOM 725 OE1 GLU A 43 -0.468 -0.499 10.798 1.00 0.00 O ATOM 726 OE2 GLU A 43 -0.757 -0.748 12.885 1.00 0.00 O ATOM 0 H GLU A 43 0.679 -4.183 8.322 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.182 -4.726 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.742 -3.293 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.622 -2.085 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.316 -2.991 12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.680 -1.962 12.147 1.00 0.00 H new ATOM 733 N ARG A 44 -2.183 -2.838 9.118 1.00 0.00 N ATOM 734 CA ARG A 44 -3.538 -2.283 8.975 1.00 0.00 C ATOM 735 C ARG A 44 -4.600 -3.403 8.904 1.00 0.00 C ATOM 736 O ARG A 44 -5.767 -3.164 9.202 1.00 0.00 O ATOM 737 CB ARG A 44 -3.645 -1.336 7.788 1.00 0.00 C ATOM 738 CG ARG A 44 -2.848 -0.048 7.924 1.00 0.00 C ATOM 739 CD ARG A 44 -3.413 0.920 8.899 1.00 0.00 C ATOM 740 NE ARG A 44 -2.976 0.718 10.271 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.578 1.250 11.352 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.618 2.046 11.225 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.083 0.970 12.544 1.00 0.00 N ATOM 0 H ARG A 44 -1.628 -2.777 8.264 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.739 -1.694 9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.311 -1.860 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.694 -1.083 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.829 -0.295 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.786 0.432 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.141 1.929 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.501 0.858 8.865 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.156 0.132 10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.980 2.268 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.062 2.441 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.266 0.365 12.628 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.518 1.359 13.381 1.00 0.00 H new ATOM 757 N MET A 45 -4.164 -4.632 8.550 1.00 0.00 N ATOM 758 CA MET A 45 -5.050 -5.808 8.344 1.00 0.00 C ATOM 759 C MET A 45 -5.185 -6.665 9.610 1.00 0.00 C ATOM 760 O MET A 45 -6.025 -7.580 9.650 1.00 0.00 O ATOM 761 CB MET A 45 -4.527 -6.665 7.193 1.00 0.00 C ATOM 762 CG MET A 45 -4.624 -6.009 5.823 1.00 0.00 C ATOM 763 SD MET A 45 -6.326 -5.652 5.343 1.00 0.00 S ATOM 764 CE MET A 45 -6.964 -7.307 5.100 1.00 0.00 C ATOM 0 H MET A 45 -3.178 -4.842 8.397 1.00 0.00 H new ATOM 0 HA MET A 45 -6.041 -5.425 8.099 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.485 -6.916 7.388 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.083 -7.603 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.050 -5.083 5.826 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.170 -6.663 5.078 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.449 -7.371 4.126 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.144 -8.023 5.145 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.689 -7.536 5.881 1.00 0.00 H new ATOM 774 N ASP A 46 -4.359 -6.385 10.632 1.00 0.00 N ATOM 775 CA ASP A 46 -4.355 -7.185 11.868 1.00 0.00 C ATOM 776 C ASP A 46 -5.660 -6.992 12.691 1.00 0.00 C ATOM 777 O ASP A 46 -6.301 -8.003 13.023 1.00 0.00 O ATOM 778 CB ASP A 46 -3.136 -6.826 12.720 1.00 0.00 C ATOM 779 CG ASP A 46 -1.816 -7.371 12.190 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.848 -8.200 11.311 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.791 -6.844 12.553 1.00 0.00 O ATOM 0 H ASP A 46 -3.689 -5.616 10.627 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.302 -8.235 11.581 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.065 -5.741 12.791 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.291 -7.202 13.731 1.00 0.00 H new ATOM 786 N PRO A 47 -6.136 -5.720 12.991 1.00 0.00 N ATOM 787 CA PRO A 47 -7.374 -5.513 13.800 1.00 0.00 C ATOM 788 C PRO A 47 -8.650 -5.809 12.982 1.00 0.00 C ATOM 789 O PRO A 47 -9.722 -6.002 13.549 1.00 0.00 O ATOM 790 CB PRO A 47 -7.303 -4.022 14.213 1.00 0.00 C ATOM 791 CG PRO A 47 -6.493 -3.372 13.130 1.00 0.00 C ATOM 792 CD PRO A 47 -5.454 -4.399 12.743 1.00 0.00 C ATOM 0 HA PRO A 47 -7.426 -6.186 14.656 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.298 -3.582 14.284 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.831 -3.902 15.188 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.118 -3.103 12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.026 -2.453 13.485 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.157 -4.293 11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.550 -4.298 13.343 1.00 0.00 H new ATOM 800 N ILE A 48 -8.481 -5.882 11.645 1.00 0.00 N ATOM 801 CA ILE A 48 -9.568 -6.081 10.669 1.00 0.00 C ATOM 802 C ILE A 48 -10.237 -7.462 10.853 1.00 0.00 C ATOM 803 O ILE A 48 -11.437 -7.621 10.586 1.00 0.00 O ATOM 804 CB ILE A 48 -9.055 -5.956 9.222 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.480 -4.558 8.979 1.00 0.00 C ATOM 806 CG2 ILE A 48 -10.173 -6.254 8.234 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.487 -3.444 9.156 1.00 0.00 C ATOM 0 H ILE A 48 -7.564 -5.802 11.206 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.304 -5.298 10.852 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.260 -6.686 9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.647 -4.394 9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.076 -4.512 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.794 -6.161 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.539 -7.268 8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.989 -5.546 8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.005 -2.485 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.309 -3.582 8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.874 -3.462 10.175 1.00 0.00 H new ATOM 819 N LYS A 49 -9.447 -8.451 11.328 1.00 0.00 N ATOM 820 CA LYS A 49 -9.938 -9.824 11.569 1.00 0.00 C ATOM 821 C LYS A 49 -10.847 -9.847 12.801 1.00 0.00 C ATOM 822 O LYS A 49 -11.879 -10.516 12.804 1.00 0.00 O ATOM 823 CB LYS A 49 -8.774 -10.798 11.751 1.00 0.00 C ATOM 824 CG LYS A 49 -7.943 -11.028 10.496 1.00 0.00 C ATOM 825 CD LYS A 49 -6.857 -12.067 10.734 1.00 0.00 C ATOM 826 CE LYS A 49 -5.915 -12.167 9.543 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.933 -13.273 9.701 1.00 0.00 N ATOM 0 H LYS A 49 -8.461 -8.321 11.553 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.511 -10.141 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.122 -10.422 12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.168 -11.756 12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.591 -11.356 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.488 -10.089 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.290 -11.805 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.315 -13.038 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.495 -12.325 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.382 -11.224 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.311 -13.306 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.361 -13.110 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.440 -14.177 9.791 1.00 0.00 H new ATOM 841 N LYS A 50 -10.442 -9.099 13.842 1.00 0.00 N ATOM 842 CA LYS A 50 -11.264 -8.868 15.041 1.00 0.00 C ATOM 843 C LYS A 50 -12.577 -8.124 14.666 1.00 0.00 C ATOM 844 O LYS A 50 -13.630 -8.388 15.253 1.00 0.00 O ATOM 845 CB LYS A 50 -10.476 -8.073 16.084 1.00 0.00 C ATOM 846 CG LYS A 50 -11.252 -7.763 17.358 1.00 0.00 C ATOM 847 CD LYS A 50 -10.383 -7.037 18.373 1.00 0.00 C ATOM 848 CE LYS A 50 -10.010 -5.644 17.889 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.185 -4.910 18.887 1.00 0.00 N ATOM 0 H LYS A 50 -9.533 -8.637 13.875 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.527 -9.834 15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.578 -8.632 16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.147 -7.135 15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.121 -7.151 17.117 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.626 -8.690 17.793 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.914 -6.964 19.322 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.477 -7.614 18.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.461 -5.721 16.951 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.918 -5.077 17.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.953 -3.966 18.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.718 -4.813 19.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.307 -5.437 19.067 1.00 0.00 H new ATOM 863 N LEU A 51 -12.498 -7.213 13.669 1.00 0.00 N ATOM 864 CA LEU A 51 -13.686 -6.484 13.152 1.00 0.00 C ATOM 865 C LEU A 51 -14.520 -7.412 12.239 1.00 0.00 C ATOM 866 O LEU A 51 -15.731 -7.222 12.080 1.00 0.00 O ATOM 867 CB LEU A 51 -13.258 -5.221 12.394 1.00 0.00 C ATOM 868 CG LEU A 51 -12.533 -4.166 13.239 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.061 -3.021 12.352 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.467 -3.655 14.327 1.00 0.00 C ATOM 0 H LEU A 51 -11.625 -6.963 13.204 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.303 -6.178 13.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.607 -5.514 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.144 -4.764 11.953 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.659 -4.616 13.710 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.547 -2.277 12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.377 -3.405 11.595 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.920 -2.560 11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.951 -2.905 14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.349 -3.208 13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.770 -4.485 14.965 1.00 0.00 H new ATOM 882 N GLY A 52 -13.843 -8.416 11.654 1.00 0.00 N ATOM 883 CA GLY A 52 -14.501 -9.492 10.907 1.00 0.00 C ATOM 884 C GLY A 52 -14.997 -9.059 9.531 1.00 0.00 C ATOM 885 O GLY A 52 -16.107 -9.430 9.120 1.00 0.00 O ATOM 0 H GLY A 52 -12.827 -8.500 11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.804 -10.321 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.344 -9.865 11.488 1.00 0.00 H new ATOM 889 N CYS A 53 -14.172 -8.262 8.826 1.00 0.00 N ATOM 890 CA CYS A 53 -14.496 -7.775 7.471 1.00 0.00 C ATOM 891 C CYS A 53 -13.939 -8.755 6.428 1.00 0.00 C ATOM 892 O CYS A 53 -12.771 -8.666 6.060 1.00 0.00 O ATOM 893 CB CYS A 53 -13.930 -6.356 7.249 1.00 0.00 C ATOM 894 SG CYS A 53 -14.732 -5.086 8.270 1.00 0.00 S ATOM 0 H CYS A 53 -13.270 -7.940 9.175 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.579 -7.719 7.362 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.862 -6.362 7.464 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.042 -6.090 6.198 1.00 0.00 H new ATOM 899 N LYS A 54 -14.792 -9.695 5.980 1.00 0.00 N ATOM 900 CA LYS A 54 -14.444 -10.704 4.953 1.00 0.00 C ATOM 901 C LYS A 54 -13.751 -10.039 3.747 1.00 0.00 C ATOM 902 O LYS A 54 -12.669 -10.456 3.339 1.00 0.00 O ATOM 903 CB LYS A 54 -15.693 -11.459 4.493 1.00 0.00 C ATOM 904 CG LYS A 54 -15.425 -12.549 3.465 1.00 0.00 C ATOM 905 CD LYS A 54 -16.701 -13.297 3.106 1.00 0.00 C ATOM 906 CE LYS A 54 -16.443 -14.356 2.043 1.00 0.00 C ATOM 907 NZ LYS A 54 -17.676 -15.119 1.709 1.00 0.00 N ATOM 0 H LYS A 54 -15.750 -9.779 6.321 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.752 -11.417 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.173 -11.907 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.400 -10.745 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.995 -12.106 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.689 -13.250 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.112 -13.768 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.449 -12.591 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.056 -13.880 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.674 -15.044 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.458 -15.830 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.032 -15.595 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.401 -14.466 1.349 1.00 0.00 H new ATOM 921 N ARG A 55 -14.387 -8.997 3.186 1.00 0.00 N ATOM 922 CA ARG A 55 -13.821 -8.206 2.068 1.00 0.00 C ATOM 923 C ARG A 55 -13.641 -6.750 2.517 1.00 0.00 C ATOM 924 O ARG A 55 -14.509 -6.184 3.192 1.00 0.00 O ATOM 925 CB ARG A 55 -14.734 -8.272 0.807 1.00 0.00 C ATOM 926 CG ARG A 55 -14.223 -7.469 -0.424 1.00 0.00 C ATOM 927 CD ARG A 55 -15.104 -7.663 -1.679 1.00 0.00 C ATOM 928 NE ARG A 55 -14.642 -6.858 -2.831 1.00 0.00 N ATOM 929 CZ ARG A 55 -15.134 -6.952 -4.084 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.103 -7.815 -4.379 1.00 0.00 N ATOM 931 NH2 ARG A 55 -14.674 -6.150 -5.035 1.00 0.00 N ATOM 0 H ARG A 55 -15.306 -8.676 3.490 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.854 -8.630 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.850 -9.316 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.724 -7.904 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.189 -6.409 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.202 -7.775 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.108 -8.717 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.133 -7.392 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.896 -6.182 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.486 -8.419 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.462 -7.872 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.950 -5.465 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.044 -6.219 -5.983 1.00 0.00 H new ATOM 945 N VAL A 56 -12.503 -6.162 2.130 1.00 0.00 N ATOM 946 CA VAL A 56 -12.072 -4.831 2.580 1.00 0.00 C ATOM 947 C VAL A 56 -11.612 -4.009 1.371 1.00 0.00 C ATOM 948 O VAL A 56 -11.238 -4.572 0.342 1.00 0.00 O ATOM 949 CB VAL A 56 -10.933 -4.910 3.613 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.394 -5.649 4.860 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.715 -5.593 3.011 1.00 0.00 C ATOM 0 H VAL A 56 -11.846 -6.603 1.486 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.923 -4.351 3.063 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.655 -3.895 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.576 -5.695 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.238 -5.122 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.699 -6.661 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.920 -5.640 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.981 -6.603 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.370 -5.026 2.146 1.00 0.00 H new ATOM 961 N ARG A 57 -11.673 -2.680 1.500 1.00 0.00 N ATOM 962 CA ARG A 57 -11.174 -1.746 0.482 1.00 0.00 C ATOM 963 C ARG A 57 -10.015 -0.942 1.080 1.00 0.00 C ATOM 964 O ARG A 57 -10.169 -0.326 2.136 1.00 0.00 O ATOM 965 CB ARG A 57 -12.263 -0.848 -0.086 1.00 0.00 C ATOM 966 CG ARG A 57 -11.786 0.158 -1.122 1.00 0.00 C ATOM 967 CD ARG A 57 -12.878 0.899 -1.804 1.00 0.00 C ATOM 968 NE ARG A 57 -13.749 0.072 -2.623 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.899 0.492 -3.182 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.343 1.714 -2.984 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.587 -0.366 -3.917 1.00 0.00 N ATOM 0 H ARG A 57 -12.072 -2.218 2.317 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.815 -2.322 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.033 -1.475 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.733 -0.307 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.124 0.875 -0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.194 -0.365 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.482 1.405 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.437 1.673 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.469 -0.895 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.814 2.360 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.217 2.015 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.242 -1.317 -4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.462 -0.077 -4.353 1.00 0.00 H new ATOM 985 N ILE A 58 -8.851 -0.978 0.408 1.00 0.00 N ATOM 986 CA ILE A 58 -7.617 -0.330 0.885 1.00 0.00 C ATOM 987 C ILE A 58 -7.148 0.680 -0.176 1.00 0.00 C ATOM 988 O ILE A 58 -7.076 0.339 -1.352 1.00 0.00 O ATOM 989 CB ILE A 58 -6.495 -1.346 1.167 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.953 -2.373 2.206 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.236 -0.633 1.637 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.037 -3.569 2.327 1.00 0.00 C ATOM 0 H ILE A 58 -8.739 -1.459 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.839 0.172 1.826 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.264 -1.873 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.028 -1.885 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.953 -2.718 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.454 -1.367 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.900 0.059 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.451 -0.080 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.427 -4.251 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.981 -4.083 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.041 -3.236 2.619 1.00 0.00 H new ATOM 1004 N SER A 59 -6.852 1.916 0.227 1.00 0.00 N ATOM 1005 CA SER A 59 -6.258 2.912 -0.665 1.00 0.00 C ATOM 1006 C SER A 59 -4.882 3.329 -0.105 1.00 0.00 C ATOM 1007 O SER A 59 -4.736 3.611 1.087 1.00 0.00 O ATOM 1008 CB SER A 59 -7.175 4.110 -0.811 1.00 0.00 C ATOM 1009 OG SER A 59 -8.337 3.800 -1.531 1.00 0.00 O ATOM 0 H SER A 59 -7.016 2.254 1.175 1.00 0.00 H new ATOM 0 HA SER A 59 -6.123 2.482 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.449 4.479 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.641 4.916 -1.315 1.00 0.00 H new ATOM 0 HG SER A 59 -8.901 4.598 -1.601 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.871 3.317 -0.977 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.488 3.683 -0.647 1.00 0.00 C ATOM 1017 C ILE A 60 -2.099 4.934 -1.445 1.00 0.00 C ATOM 1018 O ILE A 60 -2.129 4.916 -2.677 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.498 2.543 -0.950 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.823 1.313 -0.101 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.069 3.002 -0.705 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -2.672 0.285 -0.815 1.00 0.00 C ATOM 0 H ILE A 60 -3.992 3.047 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.436 3.881 0.424 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.595 2.269 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.891 0.845 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.341 1.634 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.618 2.185 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.157 3.849 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.043 3.301 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.860 -0.557 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.620 0.736 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.148 -0.066 -1.704 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.763 6.027 -0.751 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.306 7.256 -1.401 1.00 0.00 C ATOM 1036 C ARG A 61 0.171 7.442 -1.072 1.00 0.00 C ATOM 1037 O ARG A 61 0.558 7.421 0.098 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.132 8.484 -0.940 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.749 9.776 -1.690 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.588 10.995 -1.293 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.270 12.136 -2.161 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.694 13.397 -2.003 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.488 13.740 -0.993 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.325 14.312 -2.890 1.00 0.00 N ATOM 0 H ARG A 61 -1.800 6.083 0.267 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.445 7.172 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.192 8.281 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.987 8.633 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.697 9.995 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.855 9.608 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.649 10.756 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.394 11.255 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.667 11.950 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.787 13.036 -0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.798 14.707 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.729 14.050 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.638 15.277 -2.787 1.00 0.00 H new ATOM 1058 N VAL A 62 0.995 7.621 -2.106 1.00 0.00 N ATOM 1059 CA VAL A 62 2.451 7.655 -1.952 1.00 0.00 C ATOM 1060 C VAL A 62 2.930 9.108 -2.159 1.00 0.00 C ATOM 1061 O VAL A 62 2.383 9.828 -3.012 1.00 0.00 O ATOM 1062 CB VAL A 62 3.163 6.719 -2.948 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.199 7.346 -4.333 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.571 6.404 -2.470 1.00 0.00 C ATOM 0 H VAL A 62 0.676 7.746 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 62 2.702 7.304 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 62 2.602 5.786 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.705 6.672 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.181 7.523 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.737 8.293 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.059 5.742 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.142 7.329 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.524 5.915 -1.497 1.00 0.00 H new ATOM 1074 N LYS A 63 3.902 9.554 -1.345 1.00 0.00 N ATOM 1075 CA LYS A 63 4.434 10.925 -1.429 1.00 0.00 C ATOM 1076 C LYS A 63 5.565 10.964 -2.471 1.00 0.00 C ATOM 1077 O LYS A 63 6.498 10.162 -2.425 1.00 0.00 O ATOM 1078 CB LYS A 63 4.940 11.403 -0.067 1.00 0.00 C ATOM 1079 CG LYS A 63 5.492 12.822 -0.063 1.00 0.00 C ATOM 1080 CD LYS A 63 5.962 13.230 1.325 1.00 0.00 C ATOM 1081 CE LYS A 63 6.526 14.643 1.327 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.975 15.062 2.683 1.00 0.00 N ATOM 0 H LYS A 63 4.336 8.983 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 63 3.634 11.598 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.123 11.342 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.719 10.722 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.322 12.893 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.723 13.514 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.129 13.168 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.724 12.532 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.365 14.699 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.767 15.337 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.352 16.030 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.169 15.033 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.718 14.416 3.018 1.00 0.00 H new ATOM 1096 N HIS A 64 5.459 11.913 -3.403 1.00 0.00 N ATOM 1097 CA HIS A 64 6.423 12.102 -4.513 1.00 0.00 C ATOM 1098 C HIS A 64 7.341 13.282 -4.185 1.00 0.00 C ATOM 1099 O HIS A 64 6.884 14.291 -3.629 1.00 0.00 O ATOM 1100 CB HIS A 64 5.708 12.343 -5.847 1.00 0.00 C ATOM 1101 CG HIS A 64 4.835 11.205 -6.275 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.329 10.090 -6.919 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.501 11.008 -6.153 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.336 9.256 -7.174 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.218 9.790 -6.719 1.00 0.00 N ATOM 0 H HIS A 64 4.693 12.587 -3.417 1.00 0.00 H new ATOM 0 HA HIS A 64 7.012 11.191 -4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.101 13.245 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.453 12.529 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.792 11.683 -5.696 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.424 8.301 -7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.292 9.366 -6.778 1.00 0.00 H new ATOM 1113 N SER A 65 8.623 13.128 -4.531 1.00 0.00 N ATOM 1114 CA SER A 65 9.649 14.154 -4.319 1.00 0.00 C ATOM 1115 C SER A 65 9.276 15.479 -5.009 1.00 0.00 C ATOM 1116 O SER A 65 9.439 16.565 -4.440 1.00 0.00 O ATOM 1117 CB SER A 65 10.989 13.655 -4.823 1.00 0.00 C ATOM 1118 OG SER A 65 11.455 12.560 -4.083 1.00 0.00 O ATOM 0 H SER A 65 8.981 12.280 -4.970 1.00 0.00 H new ATOM 0 HA SER A 65 9.716 14.349 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.899 13.372 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.719 14.463 -4.773 1.00 0.00 H new ATOM 0 HG SER A 65 12.319 12.268 -4.440 1.00 0.00 H new ATOM 1124 N ASP A 66 8.717 15.361 -6.218 1.00 0.00 N ATOM 1125 CA ASP A 66 8.259 16.508 -7.020 1.00 0.00 C ATOM 1126 C ASP A 66 7.302 16.024 -8.129 1.00 0.00 C ATOM 1127 O ASP A 66 7.226 14.826 -8.397 1.00 0.00 O ATOM 1128 CB ASP A 66 9.447 17.258 -7.627 1.00 0.00 C ATOM 1129 CG ASP A 66 9.152 18.702 -8.005 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.033 19.125 -7.835 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.077 19.415 -8.312 1.00 0.00 O ATOM 0 H ASP A 66 8.567 14.461 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 66 7.725 17.198 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.273 17.243 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.783 16.724 -8.516 1.00 0.00 H new ATOM 1136 N ALA A 67 6.598 16.975 -8.776 1.00 0.00 N ATOM 1137 CA ALA A 67 5.654 16.701 -9.884 1.00 0.00 C ATOM 1138 C ALA A 67 6.335 16.216 -11.191 1.00 0.00 C ATOM 1139 O ALA A 67 5.752 15.423 -11.930 1.00 0.00 O ATOM 1140 CB ALA A 67 4.799 17.944 -10.140 1.00 0.00 C ATOM 0 H ALA A 67 6.668 17.966 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 67 5.025 15.869 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.103 17.745 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.240 18.193 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.444 18.780 -10.409 1.00 0.00 H new ATOM 1146 N ALA A 68 7.538 16.723 -11.490 1.00 0.00 N ATOM 1147 CA ALA A 68 8.365 16.235 -12.620 1.00 0.00 C ATOM 1148 C ALA A 68 8.805 14.779 -12.369 1.00 0.00 C ATOM 1149 O ALA A 68 8.762 13.932 -13.268 1.00 0.00 O ATOM 1150 CB ALA A 68 9.581 17.152 -12.822 1.00 0.00 C ATOM 0 H ALA A 68 7.971 17.481 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 68 7.768 16.256 -13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.180 16.783 -13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.241 18.164 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.186 17.160 -11.915 1.00 0.00 H new ATOM 1156 N GLU A 69 9.229 14.523 -11.124 1.00 0.00 N ATOM 1157 CA GLU A 69 9.524 13.170 -10.608 1.00 0.00 C ATOM 1158 C GLU A 69 8.269 12.295 -10.442 1.00 0.00 C ATOM 1159 O GLU A 69 8.395 11.080 -10.524 1.00 0.00 O ATOM 1160 CB GLU A 69 10.257 13.271 -9.267 1.00 0.00 C ATOM 1161 CG GLU A 69 11.673 13.819 -9.366 1.00 0.00 C ATOM 1162 CD GLU A 69 12.533 12.957 -10.247 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.574 11.770 -10.027 1.00 0.00 O ATOM 1164 OE2 GLU A 69 13.061 13.464 -11.209 1.00 0.00 O ATOM 0 H GLU A 69 9.380 15.258 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 69 10.154 12.685 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.679 13.909 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.294 12.282 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.645 14.834 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.113 13.878 -8.370 1.00 0.00 H new ATOM 1171 N GLU A 70 7.094 12.920 -10.160 1.00 0.00 N ATOM 1172 CA GLU A 70 5.820 12.211 -9.810 1.00 0.00 C ATOM 1173 C GLU A 70 5.488 11.064 -10.794 1.00 0.00 C ATOM 1174 O GLU A 70 5.160 9.945 -10.393 1.00 0.00 O ATOM 1175 CB GLU A 70 4.652 13.200 -9.768 1.00 0.00 C ATOM 1176 CG GLU A 70 3.296 12.559 -9.510 1.00 0.00 C ATOM 1177 CD GLU A 70 2.664 12.084 -10.789 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.634 12.838 -11.731 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.313 10.930 -10.860 1.00 0.00 O ATOM 0 H GLU A 70 6.998 13.935 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 70 5.970 11.769 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.845 13.939 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.612 13.737 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.413 11.719 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.638 13.278 -9.022 1.00 0.00 H new ATOM 1186 N LYS A 71 5.651 11.384 -12.084 1.00 0.00 N ATOM 1187 CA LYS A 71 5.346 10.492 -13.209 1.00 0.00 C ATOM 1188 C LYS A 71 6.251 9.238 -13.211 1.00 0.00 C ATOM 1189 O LYS A 71 5.761 8.112 -13.351 1.00 0.00 O ATOM 1190 CB LYS A 71 5.512 11.302 -14.525 1.00 0.00 C ATOM 1191 CG LYS A 71 4.427 12.388 -14.729 1.00 0.00 C ATOM 1192 CD LYS A 71 4.606 13.191 -16.038 1.00 0.00 C ATOM 1193 CE LYS A 71 3.538 14.281 -16.194 1.00 0.00 C ATOM 1194 NZ LYS A 71 3.710 15.088 -17.439 1.00 0.00 N ATOM 0 H LYS A 71 6.007 12.292 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 71 4.322 10.130 -13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.493 11.776 -14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.488 10.614 -15.370 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.445 11.915 -14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.447 13.075 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.595 13.648 -16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.558 12.512 -16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.551 13.818 -16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.573 14.944 -15.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.962 15.808 -17.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.639 15.555 -17.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.649 14.464 -18.269 1.00 0.00 H new ATOM 1208 N LYS A 72 7.569 9.458 -13.039 1.00 0.00 N ATOM 1209 CA LYS A 72 8.584 8.380 -13.012 1.00 0.00 C ATOM 1210 C LYS A 72 8.450 7.544 -11.719 1.00 0.00 C ATOM 1211 O LYS A 72 8.522 6.308 -11.762 1.00 0.00 O ATOM 1212 CB LYS A 72 9.994 8.963 -13.123 1.00 0.00 C ATOM 1213 CG LYS A 72 10.330 9.541 -14.491 1.00 0.00 C ATOM 1214 CD LYS A 72 11.752 10.078 -14.531 1.00 0.00 C ATOM 1215 CE LYS A 72 12.080 10.680 -15.890 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.466 11.221 -15.939 1.00 0.00 N ATOM 0 H LYS A 72 7.964 10.390 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 72 8.412 7.728 -13.868 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.111 9.745 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.717 8.183 -12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.208 8.771 -15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.630 10.341 -14.732 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.879 10.834 -13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.453 9.273 -14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.960 9.920 -16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.371 11.477 -16.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.649 11.622 -16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.574 11.964 -15.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.144 10.456 -15.750 1.00 0.00 H new ATOM 1230 N GLU A 73 8.227 8.236 -10.583 1.00 0.00 N ATOM 1231 CA GLU A 73 8.157 7.605 -9.249 1.00 0.00 C ATOM 1232 C GLU A 73 6.890 6.747 -9.137 1.00 0.00 C ATOM 1233 O GLU A 73 6.908 5.709 -8.473 1.00 0.00 O ATOM 1234 CB GLU A 73 8.178 8.663 -8.143 1.00 0.00 C ATOM 1235 CG GLU A 73 9.506 9.393 -7.997 1.00 0.00 C ATOM 1236 CD GLU A 73 10.635 8.430 -7.755 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.494 7.579 -6.910 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.593 8.472 -8.489 1.00 0.00 O ATOM 0 H GLU A 73 8.091 9.247 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 73 9.031 6.966 -9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.395 9.395 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.934 8.185 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.706 9.972 -8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.445 10.101 -7.170 1.00 0.00 H new ATOM 1245 N ALA A 74 5.797 7.210 -9.781 1.00 0.00 N ATOM 1246 CA ALA A 74 4.525 6.472 -9.826 1.00 0.00 C ATOM 1247 C ALA A 74 4.695 5.146 -10.586 1.00 0.00 C ATOM 1248 O ALA A 74 4.217 4.105 -10.139 1.00 0.00 O ATOM 1249 CB ALA A 74 3.423 7.324 -10.474 1.00 0.00 C ATOM 0 H ALA A 74 5.775 8.100 -10.280 1.00 0.00 H new ATOM 0 HA ALA A 74 4.227 6.248 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.492 6.758 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.280 8.236 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.715 7.583 -11.492 1.00 0.00 H new ATOM 1255 N LYS A 75 5.399 5.207 -11.743 1.00 0.00 N ATOM 1256 CA LYS A 75 5.762 4.005 -12.522 1.00 0.00 C ATOM 1257 C LYS A 75 6.641 3.036 -11.691 1.00 0.00 C ATOM 1258 O LYS A 75 6.435 1.821 -11.738 1.00 0.00 O ATOM 1259 CB LYS A 75 6.488 4.405 -13.808 1.00 0.00 C ATOM 1260 CG LYS A 75 5.600 5.073 -14.851 1.00 0.00 C ATOM 1261 CD LYS A 75 6.391 5.440 -16.097 1.00 0.00 C ATOM 1262 CE LYS A 75 5.515 6.143 -17.122 1.00 0.00 C ATOM 1263 NZ LYS A 75 6.280 6.530 -18.339 1.00 0.00 N ATOM 0 H LYS A 75 5.726 6.081 -12.155 1.00 0.00 H new ATOM 0 HA LYS A 75 4.840 3.484 -12.780 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.303 5.083 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.938 3.515 -14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.784 4.402 -15.120 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.149 5.970 -14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.225 6.087 -15.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.818 4.539 -16.538 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.691 5.488 -17.405 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.074 7.033 -16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.645 7.006 -19.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.051 7.176 -18.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.679 5.679 -18.783 1.00 0.00 H new ATOM 1277 N LYS A 76 7.618 3.582 -10.923 1.00 0.00 N ATOM 1278 CA LYS A 76 8.521 2.769 -10.066 1.00 0.00 C ATOM 1279 C LYS A 76 7.695 2.010 -9.008 1.00 0.00 C ATOM 1280 O LYS A 76 7.822 0.790 -8.843 1.00 0.00 O ATOM 1281 CB LYS A 76 9.573 3.649 -9.387 1.00 0.00 C ATOM 1282 CG LYS A 76 10.631 4.207 -10.329 1.00 0.00 C ATOM 1283 CD LYS A 76 11.629 5.081 -9.586 1.00 0.00 C ATOM 1284 CE LYS A 76 12.570 5.790 -10.549 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.475 6.739 -9.844 1.00 0.00 N ATOM 0 H LYS A 76 7.801 4.584 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 76 9.042 2.050 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.070 4.480 -8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.067 3.068 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.156 3.386 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.150 4.789 -11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.094 5.819 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.207 4.468 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.165 5.051 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.987 6.331 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.065 7.238 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.908 7.429 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.086 6.213 -9.187 1.00 0.00 H new ATOM 1299 N PHE A 77 6.807 2.764 -8.343 1.00 0.00 N ATOM 1300 CA PHE A 77 5.929 2.255 -7.274 1.00 0.00 C ATOM 1301 C PHE A 77 4.871 1.288 -7.818 1.00 0.00 C ATOM 1302 O PHE A 77 4.470 0.394 -7.102 1.00 0.00 O ATOM 1303 CB PHE A 77 5.279 3.428 -6.466 1.00 0.00 C ATOM 1304 CG PHE A 77 6.014 3.744 -5.161 1.00 0.00 C ATOM 1305 CD1 PHE A 77 5.787 2.977 -4.013 1.00 0.00 C ATOM 1306 CD2 PHE A 77 6.954 4.781 -5.084 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.452 3.246 -2.836 1.00 0.00 C ATOM 1308 CE2 PHE A 77 7.620 5.043 -3.895 1.00 0.00 C ATOM 1309 CZ PHE A 77 7.370 4.271 -2.777 1.00 0.00 C ATOM 0 H PHE A 77 6.675 3.757 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 77 6.553 1.687 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.259 4.322 -7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.244 3.174 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.080 2.162 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.162 5.381 -5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.253 2.651 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.334 5.851 -3.844 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.895 4.472 -1.855 1.00 0.00 H new ATOM 1319 N ALA A 78 4.396 1.507 -9.055 1.00 0.00 N ATOM 1320 CA ALA A 78 3.445 0.594 -9.706 1.00 0.00 C ATOM 1321 C ALA A 78 3.996 -0.834 -9.729 1.00 0.00 C ATOM 1322 O ALA A 78 3.293 -1.774 -9.379 1.00 0.00 O ATOM 1323 CB ALA A 78 3.081 1.081 -11.114 1.00 0.00 C ATOM 0 H ALA A 78 4.657 2.312 -9.625 1.00 0.00 H new ATOM 0 HA ALA A 78 2.526 0.587 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.376 0.385 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.625 2.069 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.982 1.136 -11.724 1.00 0.00 H new ATOM 1329 N ALA A 79 5.284 -0.969 -10.108 1.00 0.00 N ATOM 1330 CA ALA A 79 5.994 -2.263 -10.114 1.00 0.00 C ATOM 1331 C ALA A 79 6.209 -2.801 -8.680 1.00 0.00 C ATOM 1332 O ALA A 79 5.919 -3.964 -8.397 1.00 0.00 O ATOM 1333 CB ALA A 79 7.337 -2.105 -10.835 1.00 0.00 C ATOM 0 H ALA A 79 5.859 -0.185 -10.418 1.00 0.00 H new ATOM 0 HA ALA A 79 5.379 -2.990 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.862 -3.060 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.163 -1.781 -11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.942 -1.361 -10.317 1.00 0.00 H new ATOM 1339 N ILE A 80 6.705 -1.914 -7.789 1.00 0.00 N ATOM 1340 CA ILE A 80 7.065 -2.251 -6.390 1.00 0.00 C ATOM 1341 C ILE A 80 5.830 -2.715 -5.584 1.00 0.00 C ATOM 1342 O ILE A 80 5.858 -3.764 -4.937 1.00 0.00 O ATOM 1343 CB ILE A 80 7.712 -1.054 -5.669 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.067 -0.720 -6.300 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.870 -1.348 -4.186 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.074 -1.845 -6.214 1.00 0.00 C ATOM 0 H ILE A 80 6.869 -0.934 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 80 7.785 -3.067 -6.444 1.00 0.00 H new ATOM 0 HB ILE A 80 7.058 -0.189 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.915 -0.460 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.479 0.162 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.329 -0.491 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.891 -1.539 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.504 -2.225 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.008 -1.534 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.256 -2.091 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.684 -2.722 -6.730 1.00 0.00 H new ATOM 1358 N LEU A 81 4.747 -1.938 -5.692 1.00 0.00 N ATOM 1359 CA LEU A 81 3.475 -2.206 -5.001 1.00 0.00 C ATOM 1360 C LEU A 81 2.773 -3.441 -5.590 1.00 0.00 C ATOM 1361 O LEU A 81 2.185 -4.216 -4.840 1.00 0.00 O ATOM 1362 CB LEU A 81 2.559 -0.978 -5.083 1.00 0.00 C ATOM 1363 CG LEU A 81 2.922 0.172 -4.137 1.00 0.00 C ATOM 1364 CD1 LEU A 81 2.156 1.430 -4.525 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.610 -0.229 -2.703 1.00 0.00 C ATOM 0 H LEU A 81 4.726 -1.096 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 81 3.694 -2.413 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.572 -0.603 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.537 -1.292 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 81 3.988 0.384 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.421 2.241 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.413 1.712 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.085 1.238 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.869 0.590 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.547 -0.452 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.190 -1.113 -2.438 1.00 0.00 H new ATOM 1377 N ASN A 82 2.866 -3.628 -6.927 1.00 0.00 N ATOM 1378 CA ASN A 82 2.289 -4.807 -7.628 1.00 0.00 C ATOM 1379 C ASN A 82 2.968 -6.099 -7.132 1.00 0.00 C ATOM 1380 O ASN A 82 2.314 -7.129 -6.938 1.00 0.00 O ATOM 1381 CB ASN A 82 2.415 -4.690 -9.136 1.00 0.00 C ATOM 1382 CG ASN A 82 1.849 -5.865 -9.884 1.00 0.00 C ATOM 1383 OD1 ASN A 82 2.585 -6.660 -10.481 1.00 0.00 O ATOM 1384 ND2 ASN A 82 0.543 -5.934 -9.923 1.00 0.00 N ATOM 0 H ASN A 82 3.339 -2.973 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 82 1.225 -4.843 -7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.907 -3.783 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.468 -4.578 -9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.087 -6.669 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.019 -5.253 -9.412 1.00 0.00 H new ATOM 1391 N LYS A 83 4.293 -5.997 -6.906 1.00 0.00 N ATOM 1392 CA LYS A 83 5.109 -7.095 -6.361 1.00 0.00 C ATOM 1393 C LYS A 83 4.734 -7.398 -4.893 1.00 0.00 C ATOM 1394 O LYS A 83 4.668 -8.558 -4.495 1.00 0.00 O ATOM 1395 CB LYS A 83 6.597 -6.757 -6.466 1.00 0.00 C ATOM 1396 CG LYS A 83 7.155 -6.812 -7.883 1.00 0.00 C ATOM 1397 CD LYS A 83 8.615 -6.385 -7.919 1.00 0.00 C ATOM 1398 CE LYS A 83 9.158 -6.385 -9.341 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.585 -5.968 -9.392 1.00 0.00 N ATOM 0 H LYS A 83 4.826 -5.149 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 83 4.905 -7.987 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.760 -5.758 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.160 -7.449 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.060 -7.825 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.568 -6.163 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.715 -5.388 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.208 -7.059 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.056 -7.383 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.561 -5.712 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.916 -5.982 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.679 -5.006 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.159 -6.625 -8.825 1.00 0.00 H new ATOM 1413 N VAL A 84 4.444 -6.329 -4.122 1.00 0.00 N ATOM 1414 CA VAL A 84 3.961 -6.430 -2.730 1.00 0.00 C ATOM 1415 C VAL A 84 2.550 -7.058 -2.688 1.00 0.00 C ATOM 1416 O VAL A 84 2.307 -7.991 -1.920 1.00 0.00 O ATOM 1417 CB VAL A 84 3.926 -5.053 -2.041 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.167 -5.136 -0.725 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.336 -4.535 -1.810 1.00 0.00 C ATOM 0 H VAL A 84 4.539 -5.368 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 84 4.661 -7.069 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 84 3.406 -4.354 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.152 -4.154 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.145 -5.463 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.660 -5.850 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.291 -3.561 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.881 -5.234 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.849 -4.438 -2.767 1.00 0.00 H new ATOM 1429 N PHE A 85 1.657 -6.564 -3.565 1.00 0.00 N ATOM 1430 CA PHE A 85 0.243 -7.006 -3.636 1.00 0.00 C ATOM 1431 C PHE A 85 0.144 -8.507 -3.991 1.00 0.00 C ATOM 1432 O PHE A 85 -0.677 -9.227 -3.421 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.529 -6.172 -4.660 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.623 -4.715 -4.307 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.496 -4.296 -2.992 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.841 -3.761 -5.290 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -0.583 -2.955 -2.666 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.928 -2.421 -4.967 1.00 0.00 C ATOM 1439 CZ PHE A 85 -0.799 -2.017 -3.653 1.00 0.00 C ATOM 0 H PHE A 85 1.892 -5.844 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.202 -6.858 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.047 -6.270 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.536 -6.578 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.327 -5.025 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.944 -4.070 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.482 -2.642 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.097 -1.689 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.867 -0.969 -3.399 1.00 0.00 H new ATOM 1449 N ALA A 86 0.999 -8.962 -4.927 1.00 0.00 N ATOM 1450 CA ALA A 86 1.072 -10.382 -5.340 1.00 0.00 C ATOM 1451 C ALA A 86 1.536 -11.276 -4.180 1.00 0.00 C ATOM 1452 O ALA A 86 1.132 -12.439 -4.073 1.00 0.00 O ATOM 1453 CB ALA A 86 2.010 -10.540 -6.540 1.00 0.00 C ATOM 0 H ALA A 86 1.658 -8.359 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 86 0.070 -10.699 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.053 -11.589 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.637 -9.946 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.009 -10.197 -6.269 1.00 0.00 H new ATOM 1459 N GLU A 87 2.350 -10.695 -3.285 1.00 0.00 N ATOM 1460 CA GLU A 87 2.918 -11.396 -2.116 1.00 0.00 C ATOM 1461 C GLU A 87 1.906 -11.409 -0.944 1.00 0.00 C ATOM 1462 O GLU A 87 2.081 -12.144 0.029 1.00 0.00 O ATOM 1463 CB GLU A 87 4.228 -10.738 -1.678 1.00 0.00 C ATOM 1464 CG GLU A 87 5.419 -11.054 -2.572 1.00 0.00 C ATOM 1465 CD GLU A 87 6.692 -10.489 -2.006 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.092 -10.918 -0.950 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.325 -9.711 -2.680 1.00 0.00 O ATOM 0 H GLU A 87 2.636 -9.718 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 87 3.127 -12.426 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.086 -9.658 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.458 -11.056 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.516 -12.134 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.248 -10.645 -3.568 1.00 0.00 H new ATOM 1474 N LEU A 88 0.838 -10.593 -1.072 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.217 -10.438 -0.048 1.00 0.00 C ATOM 1476 C LEU A 88 -1.474 -11.246 -0.444 1.00 0.00 C ATOM 1477 O LEU A 88 -2.437 -11.317 0.323 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.566 -8.956 0.142 1.00 0.00 C ATOM 1479 CG LEU A 88 0.551 -8.095 0.745 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.131 -6.632 0.760 1.00 0.00 C ATOM 1481 CD2 LEU A 88 0.864 -8.581 2.152 1.00 0.00 C ATOM 0 H LEU A 88 0.682 -10.017 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 88 0.158 -10.826 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.844 -8.538 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.444 -8.885 0.784 1.00 0.00 H new ATOM 0 HG LEU A 88 1.450 -8.185 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.930 -6.028 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.067 -6.300 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.772 -6.519 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.658 -7.969 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.029 -8.502 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.188 -9.621 2.114 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.448 -11.850 -1.651 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.577 -12.627 -2.189 1.00 0.00 C ATOM 1495 C GLY A 89 -3.607 -11.791 -2.950 1.00 0.00 C ATOM 1496 O GLY A 89 -4.754 -12.230 -3.129 1.00 0.00 O ATOM 0 H GLY A 89 -0.643 -11.811 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.189 -13.398 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.077 -13.138 -1.366 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.211 -10.582 -3.393 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.110 -9.634 -4.091 1.00 0.00 C ATOM 1502 C TYR A 90 -4.005 -9.832 -5.623 1.00 0.00 C ATOM 1503 O TYR A 90 -2.892 -9.939 -6.153 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.773 -8.190 -3.717 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.990 -7.868 -2.255 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -4.892 -8.596 -1.491 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.293 -6.839 -1.641 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.096 -8.307 -0.156 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.487 -6.541 -0.306 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.391 -7.277 0.433 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.588 -6.986 1.763 1.00 0.00 O ATOM 0 H TYR A 90 -2.260 -10.232 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.134 -9.836 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.732 -7.993 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.382 -7.517 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.444 -9.403 -1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.586 -6.260 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.802 -8.883 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.934 -5.737 0.157 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.014 -6.235 2.022 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.159 -9.842 -6.320 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.231 -9.969 -7.802 1.00 0.00 C ATOM 1523 C ASN A 91 -4.950 -8.617 -8.477 1.00 0.00 C ATOM 1524 O ASN A 91 -5.375 -7.574 -7.980 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.574 -10.510 -8.258 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.790 -11.958 -7.916 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.837 -12.725 -7.740 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -8.037 -12.354 -7.901 1.00 0.00 N ATOM 0 H ASN A 91 -6.074 -9.762 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.464 -10.683 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.368 -9.916 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.659 -10.384 -9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.258 -13.336 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.788 -11.680 -8.052 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.264 -8.672 -9.645 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.912 -7.477 -10.460 1.00 0.00 C ATOM 1537 C ASP A 92 -5.167 -6.654 -10.816 1.00 0.00 C ATOM 1538 O ASP A 92 -5.136 -5.423 -10.799 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.183 -7.892 -11.741 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.743 -8.341 -11.527 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.210 -8.078 -10.474 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.242 -9.072 -12.346 1.00 0.00 O ATOM 0 H ASP A 92 -3.937 -9.548 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.249 -6.853 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.737 -8.703 -12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.190 -7.053 -12.437 1.00 0.00 H new ATOM 1547 N SER A 93 -6.249 -7.372 -11.161 1.00 0.00 N ATOM 1548 CA SER A 93 -7.548 -6.785 -11.519 1.00 0.00 C ATOM 1549 C SER A 93 -8.125 -5.957 -10.351 1.00 0.00 C ATOM 1550 O SER A 93 -8.682 -4.875 -10.562 1.00 0.00 O ATOM 1551 CB SER A 93 -8.518 -7.878 -11.924 1.00 0.00 C ATOM 1552 OG SER A 93 -8.123 -8.520 -13.105 1.00 0.00 O ATOM 0 H SER A 93 -6.244 -8.391 -11.199 1.00 0.00 H new ATOM 0 HA SER A 93 -7.399 -6.112 -12.364 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.594 -8.611 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.511 -7.449 -12.059 1.00 0.00 H new ATOM 0 HG SER A 93 -8.773 -9.218 -13.331 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.972 -6.483 -9.116 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.484 -5.840 -7.883 1.00 0.00 C ATOM 1560 C ASN A 94 -7.592 -4.649 -7.461 1.00 0.00 C ATOM 1561 O ASN A 94 -7.868 -3.996 -6.460 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.601 -6.837 -6.745 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.712 -7.834 -6.926 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.652 -7.613 -7.697 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.650 -8.893 -6.159 1.00 0.00 N ATOM 0 H ASN A 94 -7.490 -7.365 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.481 -5.461 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.657 -7.373 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.760 -6.294 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.401 -9.583 -6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.851 -9.028 -5.540 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.536 -4.385 -8.253 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.634 -3.224 -8.076 1.00 0.00 C ATOM 1574 C VAL A 95 -5.934 -2.143 -9.148 1.00 0.00 C ATOM 1575 O VAL A 95 -5.822 -2.422 -10.338 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.152 -3.635 -8.165 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.251 -2.422 -7.991 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.828 -4.692 -7.120 1.00 0.00 C ATOM 0 H VAL A 95 -6.280 -4.976 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.817 -2.818 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.972 -4.060 -9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.208 -2.731 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.464 -1.695 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.434 -1.969 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.777 -4.970 -7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.025 -4.293 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.450 -5.572 -7.287 1.00 0.00 H new ATOM 1588 N THR A 96 -6.361 -0.934 -8.722 1.00 0.00 N ATOM 1589 CA THR A 96 -6.683 0.183 -9.644 1.00 0.00 C ATOM 1590 C THR A 96 -5.862 1.431 -9.263 1.00 0.00 C ATOM 1591 O THR A 96 -5.941 1.908 -8.134 1.00 0.00 O ATOM 1592 CB THR A 96 -8.182 0.535 -9.623 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.949 -0.610 -10.018 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.473 1.687 -10.572 1.00 0.00 C ATOM 0 H THR A 96 -6.492 -0.704 -7.737 1.00 0.00 H new ATOM 0 HA THR A 96 -6.427 -0.143 -10.652 1.00 0.00 H new ATOM 0 HB THR A 96 -8.456 0.834 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.903 -0.386 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.537 1.922 -10.544 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.900 2.563 -10.268 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.191 1.403 -11.586 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.065 1.937 -10.222 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.253 3.156 -10.058 1.00 0.00 C ATOM 1604 C TRP A 97 -5.059 4.378 -10.489 1.00 0.00 C ATOM 1605 O TRP A 97 -5.723 4.350 -11.528 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.946 3.055 -10.890 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.830 2.343 -10.159 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.463 1.025 -10.261 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.953 2.930 -9.187 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.420 0.765 -9.403 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.088 1.920 -8.739 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.824 4.220 -8.653 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.896 2.157 -7.784 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.157 4.455 -7.704 1.00 0.00 C ATOM 1615 CH2 TRP A 97 1.004 3.425 -7.278 1.00 0.00 C ATOM 0 H TRP A 97 -4.966 1.507 -11.141 1.00 0.00 H new ATOM 0 HA TRP A 97 -3.985 3.259 -9.007 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.155 2.529 -11.822 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.615 4.058 -11.158 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.924 0.301 -10.916 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.034 -0.140 -9.280 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.478 5.016 -8.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.553 1.367 -7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.270 5.445 -7.288 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.759 3.635 -6.534 1.00 0.00 H new ATOM 1626 N ASP A 98 -4.982 5.444 -9.673 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.560 6.765 -9.971 1.00 0.00 C ATOM 1628 C ASP A 98 -4.582 7.838 -9.464 1.00 0.00 C ATOM 1629 O ASP A 98 -4.628 8.234 -8.291 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.937 6.931 -9.323 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.646 8.230 -9.677 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.059 9.039 -10.358 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.818 8.339 -9.402 1.00 0.00 O ATOM 0 H ASP A 98 -4.507 5.410 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.705 6.867 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.568 6.094 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.825 6.876 -8.240 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.648 8.232 -10.353 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.619 9.235 -10.058 1.00 0.00 C ATOM 1640 C GLY A 99 -1.568 8.757 -9.057 1.00 0.00 C ATOM 1641 O GLY A 99 -0.839 7.789 -9.313 1.00 0.00 O ATOM 0 H GLY A 99 -3.591 7.858 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.122 9.518 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.099 10.132 -9.667 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.510 9.434 -7.904 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.547 9.145 -6.820 1.00 0.00 C ATOM 1647 C ASP A 100 -1.123 8.155 -5.793 1.00 0.00 C ATOM 1648 O ASP A 100 -0.474 7.830 -4.789 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.130 10.439 -6.116 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.260 11.147 -5.379 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.361 10.651 -5.404 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.984 12.086 -4.671 1.00 0.00 O ATOM 0 H ASP A 100 -2.137 10.210 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 100 0.328 8.684 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.665 10.212 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.289 11.122 -6.855 1.00 0.00 H new ATOM 1657 N THR A 101 -2.354 7.690 -6.053 1.00 0.00 N ATOM 1658 CA THR A 101 -3.112 6.837 -5.132 1.00 0.00 C ATOM 1659 C THR A 101 -3.565 5.567 -5.873 1.00 0.00 C ATOM 1660 O THR A 101 -4.082 5.653 -6.993 1.00 0.00 O ATOM 1661 CB THR A 101 -4.341 7.563 -4.552 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.920 8.758 -3.881 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.075 6.666 -3.567 1.00 0.00 C ATOM 0 H THR A 101 -2.854 7.899 -6.917 1.00 0.00 H new ATOM 0 HA THR A 101 -2.458 6.579 -4.299 1.00 0.00 H new ATOM 0 HB THR A 101 -5.015 7.815 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.470 9.350 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.940 7.195 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.407 5.761 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.405 6.398 -2.750 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.348 4.406 -5.246 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.778 3.101 -5.760 1.00 0.00 C ATOM 1673 C VAL A 102 -4.805 2.488 -4.782 1.00 0.00 C ATOM 1674 O VAL A 102 -4.598 2.487 -3.573 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.593 2.134 -5.945 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.883 1.903 -4.620 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.067 0.814 -6.532 1.00 0.00 C ATOM 0 H VAL A 102 -2.860 4.346 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.229 3.254 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.886 2.586 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.049 1.218 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.509 2.853 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.582 1.473 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.216 0.144 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.794 0.357 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.531 0.993 -7.502 1.00 0.00 H new ATOM 1687 N THR A 103 -5.937 2.014 -5.315 1.00 0.00 N ATOM 1688 CA THR A 103 -7.000 1.400 -4.517 1.00 0.00 C ATOM 1689 C THR A 103 -7.028 -0.101 -4.811 1.00 0.00 C ATOM 1690 O THR A 103 -7.143 -0.524 -5.962 1.00 0.00 O ATOM 1691 CB THR A 103 -8.380 2.015 -4.815 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.368 3.409 -4.477 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.462 1.312 -4.009 1.00 0.00 C ATOM 0 H THR A 103 -6.140 2.046 -6.314 1.00 0.00 H new ATOM 0 HA THR A 103 -6.787 1.584 -3.464 1.00 0.00 H new ATOM 0 HB THR A 103 -8.594 1.893 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.359 3.509 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.431 1.760 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.482 0.254 -4.272 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.250 1.418 -2.945 1.00 0.00 H new ATOM 1701 N VAL A 104 -6.852 -0.889 -3.762 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.789 -2.343 -3.842 1.00 0.00 C ATOM 1703 C VAL A 104 -7.901 -2.932 -2.975 1.00 0.00 C ATOM 1704 O VAL A 104 -8.068 -2.529 -1.819 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.426 -2.892 -3.380 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.399 -4.409 -3.482 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.301 -2.285 -4.205 1.00 0.00 C ATOM 0 H VAL A 104 -6.747 -0.531 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.918 -2.632 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.279 -2.614 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.428 -4.779 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.182 -4.830 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.568 -4.707 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.345 -2.684 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.445 -2.534 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.306 -1.202 -4.085 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.678 -3.870 -3.538 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.718 -4.579 -2.787 1.00 0.00 C ATOM 1719 C GLU A 105 -9.267 -6.026 -2.611 1.00 0.00 C ATOM 1720 O GLU A 105 -8.703 -6.617 -3.537 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.069 -4.514 -3.502 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.642 -3.110 -3.635 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.025 -3.138 -4.226 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.206 -3.776 -5.235 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.923 -2.615 -3.609 1.00 0.00 O ATOM 0 H GLU A 105 -8.603 -4.154 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.855 -4.104 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.961 -4.945 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.783 -5.135 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.672 -2.633 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.988 -2.506 -4.264 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.507 -6.575 -1.418 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.120 -7.942 -1.090 1.00 0.00 C ATOM 1734 C GLY A 106 -9.973 -8.530 0.013 1.00 0.00 C ATOM 1735 O GLY A 106 -10.885 -7.874 0.537 1.00 0.00 O ATOM 0 H GLY A 106 -9.974 -6.083 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.202 -8.564 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.074 -7.958 -0.785 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.670 -9.781 0.357 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.394 -10.542 1.382 1.00 0.00 C ATOM 1741 C GLN A 107 -9.396 -11.024 2.441 1.00 0.00 C ATOM 1742 O GLN A 107 -8.201 -11.215 2.153 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.131 -11.734 0.765 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.242 -11.350 -0.197 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.970 -12.559 -0.753 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.605 -13.704 -0.473 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -14.003 -12.311 -1.550 1.00 0.00 N ATOM 0 H GLN A 107 -8.906 -10.303 -0.072 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.140 -9.896 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.410 -12.359 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.553 -12.340 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.955 -10.704 0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.822 -10.772 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.270 -11.348 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.530 -13.084 -1.958 1.00 0.00 H new