USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 857 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.88! C(o=-2.9!,f=-9.7!) USER MOD Set 2.1: A 11 ASN : amide:sc= -1.87! K(o=-4.6!,f=-3) USER MOD Set 2.2: A 84 LYS NZ :NH3+ -116:sc= -2.71 (180deg=-6.22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0232 (180deg=-0.886) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 21:sc= 0.0021 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.131 USER MOD Single : A 22 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.18) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.694 (180deg=-1.4) USER MOD Single : A 26 SER OG : rot 67:sc= 1.1 USER MOD Single : A 29 SER OG : rot -106:sc= -1.89 USER MOD Single : A 34 HIS : no HD1:sc= -0.852 K(o=-0.85,f=-9.5!) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= -2.64! (180deg=-4.76!) USER MOD Single : A 43 THR OG1 : rot -53:sc= 0.613 USER MOD Single : A 50 GLN : amide:sc= -5.29! C(o=-5.3!,f=-7.5!) USER MOD Single : A 52 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.5) USER MOD Single : A 53 SER OG : rot 112:sc= 1.2 USER MOD Single : A 54 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.14) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.0645 (180deg=-0.543) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.103 (180deg=-0.653) USER MOD Single : A 62 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0711 (180deg=-0.664) USER MOD Single : A 80 HIS : no HD1:sc= 0.299 K(o=0.3,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ 135:sc= -1.77 (180deg=-3.65!) USER MOD Single : A 82 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.2) USER MOD Single : A 87 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.51) USER MOD Single : A 89 GLN : amide:sc= -0.605 K(o=-0.61,f=-0.075) USER MOD Single : A 90 GLN : amide:sc= 0.304 X(o=0.3,f=-0.064) USER MOD Single : A 100 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.5) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-0.88) USER MOD Single : A 105 HIS : no HD1:sc= -1.63! K(o=-1.6!,f=-0.5) USER MOD Single : A 106 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.1) USER MOD Single : A 107 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.34) USER MOD Single : A 108 HIS : no HD1:sc= -0.0462 K(o=-0.046,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.226 -5.903 10.010 1.00 0.00 N ATOM 2 CA MET A 1 16.200 -7.033 10.019 1.00 0.00 C ATOM 3 C MET A 1 17.455 -6.611 10.776 1.00 0.00 C ATOM 4 O MET A 1 17.885 -7.291 11.708 1.00 0.00 O ATOM 5 CB MET A 1 16.561 -7.414 8.577 1.00 0.00 C ATOM 6 CG MET A 1 15.315 -7.323 7.689 1.00 0.00 C ATOM 7 SD MET A 1 15.514 -8.407 6.253 1.00 0.00 S ATOM 8 CE MET A 1 14.113 -7.776 5.296 1.00 0.00 C ATOM 0 H1 MET A 1 14.264 -6.275 9.879 1.00 0.00 H new ATOM 0 H2 MET A 1 15.279 -5.392 10.914 1.00 0.00 H new ATOM 0 H3 MET A 1 15.455 -5.253 9.231 1.00 0.00 H new ATOM 0 HA MET A 1 15.755 -7.897 10.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.338 -6.749 8.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.966 -8.426 8.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.430 -7.612 8.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.163 -6.294 7.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.046 -8.315 4.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.192 -7.919 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.256 -6.714 5.099 1.00 0.00 H new ATOM 17 N ASP A 2 18.036 -5.484 10.369 1.00 0.00 N ATOM 18 CA ASP A 2 19.242 -4.976 11.014 1.00 0.00 C ATOM 19 C ASP A 2 19.034 -3.532 11.474 1.00 0.00 C ATOM 20 O ASP A 2 18.325 -3.285 12.451 1.00 0.00 O ATOM 21 CB ASP A 2 20.428 -5.055 10.042 1.00 0.00 C ATOM 22 CG ASP A 2 20.780 -6.512 9.739 1.00 0.00 C ATOM 23 OD1 ASP A 2 20.524 -7.359 10.581 1.00 0.00 O ATOM 24 OD2 ASP A 2 21.306 -6.759 8.666 1.00 0.00 O ATOM 0 H ASP A 2 17.692 -4.909 9.600 1.00 0.00 H new ATOM 0 HA ASP A 2 19.457 -5.591 11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.182 -4.535 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.292 -4.548 10.472 1.00 0.00 H new ATOM 29 N GLY A 3 19.654 -2.585 10.770 1.00 0.00 N ATOM 30 CA GLY A 3 19.527 -1.173 11.124 1.00 0.00 C ATOM 31 C GLY A 3 19.293 -0.315 9.887 1.00 0.00 C ATOM 32 O GLY A 3 20.239 0.199 9.291 1.00 0.00 O ATOM 0 H GLY A 3 20.244 -2.768 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.700 -1.043 11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.431 -0.841 11.635 1.00 0.00 H new ATOM 36 N VAL A 4 18.024 -0.161 9.513 1.00 0.00 N ATOM 37 CA VAL A 4 17.661 0.644 8.347 1.00 0.00 C ATOM 38 C VAL A 4 16.290 1.283 8.550 1.00 0.00 C ATOM 39 O VAL A 4 16.109 2.475 8.301 1.00 0.00 O ATOM 40 CB VAL A 4 17.642 -0.221 7.079 1.00 0.00 C ATOM 41 CG1 VAL A 4 19.069 -0.653 6.728 1.00 0.00 C ATOM 42 CG2 VAL A 4 16.775 -1.466 7.307 1.00 0.00 C ATOM 0 H VAL A 4 17.232 -0.582 9.999 1.00 0.00 H new ATOM 0 HA VAL A 4 18.409 1.428 8.229 1.00 0.00 H new ATOM 0 HB VAL A 4 17.225 0.363 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.052 -1.267 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.684 0.230 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 4 19.488 -1.230 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.767 -2.074 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 4 17.185 -2.048 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.757 -1.161 7.548 1.00 0.00 H new ATOM 52 N MET A 5 15.330 0.479 9.005 1.00 0.00 N ATOM 53 CA MET A 5 13.970 0.963 9.245 1.00 0.00 C ATOM 54 C MET A 5 13.381 1.593 7.990 1.00 0.00 C ATOM 55 O MET A 5 13.537 2.793 7.758 1.00 0.00 O ATOM 56 CB MET A 5 13.967 2.006 10.365 1.00 0.00 C ATOM 57 CG MET A 5 13.057 1.543 11.503 1.00 0.00 C ATOM 58 SD MET A 5 13.341 2.576 12.963 1.00 0.00 S ATOM 59 CE MET A 5 14.577 1.520 13.760 1.00 0.00 C ATOM 0 H MET A 5 15.468 -0.510 9.215 1.00 0.00 H new ATOM 0 HA MET A 5 13.363 0.105 9.533 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.981 2.157 10.736 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.623 2.966 9.980 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.013 1.607 11.197 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.256 0.498 11.740 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.896 1.977 14.697 1.00 0.00 H new ATOM 0 HE2 MET A 5 14.143 0.541 13.963 1.00 0.00 H new ATOM 0 HE3 MET A 5 15.437 1.405 13.100 1.00 0.00 H new ATOM 69 N SER A 6 12.691 0.792 7.190 1.00 0.00 N ATOM 70 CA SER A 6 12.078 1.298 5.990 1.00 0.00 C ATOM 71 C SER A 6 10.598 0.943 5.983 1.00 0.00 C ATOM 72 O SER A 6 10.055 0.477 6.985 1.00 0.00 O ATOM 73 CB SER A 6 12.767 0.709 4.757 1.00 0.00 C ATOM 74 OG SER A 6 12.717 -0.710 4.826 1.00 0.00 O ATOM 0 H SER A 6 12.547 -0.204 7.357 1.00 0.00 H new ATOM 0 HA SER A 6 12.186 2.382 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.275 1.058 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.802 1.046 4.708 1.00 0.00 H new ATOM 0 HG SER A 6 13.156 -1.092 4.037 1.00 0.00 H new ATOM 80 N ALA A 7 9.974 1.166 4.839 1.00 0.00 N ATOM 81 CA ALA A 7 8.553 0.885 4.636 1.00 0.00 C ATOM 82 C ALA A 7 7.993 1.837 3.592 1.00 0.00 C ATOM 83 O ALA A 7 7.008 1.532 2.920 1.00 0.00 O ATOM 84 CB ALA A 7 7.763 1.054 5.934 1.00 0.00 C ATOM 0 H ALA A 7 10.438 1.550 4.016 1.00 0.00 H new ATOM 0 HA ALA A 7 8.457 -0.148 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.711 0.838 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.148 0.366 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.866 2.078 6.292 1.00 0.00 H new ATOM 90 N VAL A 8 8.631 3.000 3.469 1.00 0.00 N ATOM 91 CA VAL A 8 8.195 4.004 2.510 1.00 0.00 C ATOM 92 C VAL A 8 9.326 4.978 2.202 1.00 0.00 C ATOM 93 O VAL A 8 10.208 5.211 3.030 1.00 0.00 O ATOM 94 CB VAL A 8 6.968 4.760 3.059 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.128 4.978 4.568 1.00 0.00 C ATOM 96 CG2 VAL A 8 6.824 6.123 2.363 1.00 0.00 C ATOM 0 H VAL A 8 9.447 3.266 4.020 1.00 0.00 H new ATOM 0 HA VAL A 8 7.914 3.503 1.583 1.00 0.00 H new ATOM 0 HB VAL A 8 6.076 4.164 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.259 5.512 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.211 4.013 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.028 5.564 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.954 6.645 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.718 6.720 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.698 5.973 1.291 1.00 0.00 H new ATOM 106 N THR A 9 9.291 5.530 0.993 1.00 0.00 N ATOM 107 CA THR A 9 10.311 6.469 0.548 1.00 0.00 C ATOM 108 C THR A 9 9.671 7.620 -0.227 1.00 0.00 C ATOM 109 O THR A 9 8.798 7.402 -1.066 1.00 0.00 O ATOM 110 CB THR A 9 11.316 5.726 -0.337 1.00 0.00 C ATOM 111 OG1 THR A 9 12.282 5.088 0.486 1.00 0.00 O ATOM 112 CG2 THR A 9 12.020 6.705 -1.285 1.00 0.00 C ATOM 0 H THR A 9 8.564 5.341 0.303 1.00 0.00 H new ATOM 0 HA THR A 9 10.825 6.887 1.413 1.00 0.00 H new ATOM 0 HB THR A 9 10.784 4.983 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.920 4.978 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.731 6.161 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.280 7.192 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.550 7.458 -0.702 1.00 0.00 H new ATOM 120 N VAL A 10 10.118 8.841 0.060 1.00 0.00 N ATOM 121 CA VAL A 10 9.592 10.022 -0.613 1.00 0.00 C ATOM 122 C VAL A 10 10.561 10.485 -1.699 1.00 0.00 C ATOM 123 O VAL A 10 11.564 11.145 -1.422 1.00 0.00 O ATOM 124 CB VAL A 10 9.353 11.150 0.403 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.361 10.677 1.470 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.676 11.543 1.076 1.00 0.00 C ATOM 0 H VAL A 10 10.841 9.036 0.752 1.00 0.00 H new ATOM 0 HA VAL A 10 8.641 9.765 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 10 8.946 12.016 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.192 11.478 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.416 10.410 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.768 9.806 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.495 12.343 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.092 10.678 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.381 11.887 0.319 1.00 0.00 H new ATOM 136 N ASN A 11 10.255 10.124 -2.937 1.00 0.00 N ATOM 137 CA ASN A 11 11.098 10.496 -4.067 1.00 0.00 C ATOM 138 C ASN A 11 10.816 11.935 -4.495 1.00 0.00 C ATOM 139 O ASN A 11 10.392 12.763 -3.688 1.00 0.00 O ATOM 140 CB ASN A 11 10.840 9.547 -5.243 1.00 0.00 C ATOM 141 CG ASN A 11 10.949 8.098 -4.779 1.00 0.00 C ATOM 142 OD1 ASN A 11 12.034 7.643 -4.418 1.00 0.00 O ATOM 143 ND2 ASN A 11 9.885 7.344 -4.766 1.00 0.00 N ATOM 0 H ASN A 11 9.432 9.575 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 11 12.142 10.420 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.849 9.731 -5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.560 9.737 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.951 6.374 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.987 7.724 -5.066 1.00 0.00 H new ATOM 150 N ASP A 12 11.038 12.215 -5.775 1.00 0.00 N ATOM 151 CA ASP A 12 10.792 13.544 -6.322 1.00 0.00 C ATOM 152 C ASP A 12 9.556 13.494 -7.204 1.00 0.00 C ATOM 153 O ASP A 12 9.222 14.459 -7.893 1.00 0.00 O ATOM 154 CB ASP A 12 11.996 14.004 -7.148 1.00 0.00 C ATOM 155 CG ASP A 12 13.255 14.033 -6.283 1.00 0.00 C ATOM 156 OD1 ASP A 12 13.189 14.570 -5.188 1.00 0.00 O ATOM 157 OD2 ASP A 12 14.268 13.519 -6.728 1.00 0.00 O ATOM 0 H ASP A 12 11.388 11.538 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 12 10.637 14.250 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.143 13.332 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.806 14.996 -7.558 1.00 0.00 H new ATOM 162 N ASP A 13 8.897 12.342 -7.182 1.00 0.00 N ATOM 163 CA ASP A 13 7.707 12.126 -7.986 1.00 0.00 C ATOM 164 C ASP A 13 6.500 11.857 -7.092 1.00 0.00 C ATOM 165 O ASP A 13 5.358 12.106 -7.483 1.00 0.00 O ATOM 166 CB ASP A 13 7.953 10.936 -8.916 1.00 0.00 C ATOM 167 CG ASP A 13 6.772 10.744 -9.864 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.335 11.726 -10.444 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.329 9.618 -10.004 1.00 0.00 O ATOM 0 H ASP A 13 9.171 11.541 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 13 7.497 13.019 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.865 11.098 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.104 10.032 -8.327 1.00 0.00 H new ATOM 174 N GLY A 14 6.765 11.353 -5.890 1.00 0.00 N ATOM 175 CA GLY A 14 5.698 11.057 -4.941 1.00 0.00 C ATOM 176 C GLY A 14 6.236 10.275 -3.750 1.00 0.00 C ATOM 177 O GLY A 14 7.202 10.694 -3.109 1.00 0.00 O ATOM 0 H GLY A 14 7.704 11.142 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.243 11.986 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.914 10.483 -5.435 1.00 0.00 H new ATOM 181 N LEU A 15 5.608 9.137 -3.459 1.00 0.00 N ATOM 182 CA LEU A 15 6.040 8.303 -2.340 1.00 0.00 C ATOM 183 C LEU A 15 5.793 6.824 -2.626 1.00 0.00 C ATOM 184 O LEU A 15 4.871 6.466 -3.358 1.00 0.00 O ATOM 185 CB LEU A 15 5.317 8.719 -1.050 1.00 0.00 C ATOM 186 CG LEU A 15 3.809 8.472 -1.160 1.00 0.00 C ATOM 187 CD1 LEU A 15 3.227 8.291 0.246 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.140 9.676 -1.830 1.00 0.00 C ATOM 0 H LEU A 15 4.807 8.775 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 15 7.112 8.450 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.720 8.159 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.502 9.774 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 15 3.628 7.577 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.154 8.115 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.704 7.439 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.409 9.191 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.067 9.499 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.318 10.570 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.558 9.816 -2.827 1.00 0.00 H new ATOM 200 N VAL A 16 6.631 5.971 -2.036 1.00 0.00 N ATOM 201 CA VAL A 16 6.515 4.527 -2.221 1.00 0.00 C ATOM 202 C VAL A 16 5.965 3.878 -0.954 1.00 0.00 C ATOM 203 O VAL A 16 6.346 4.249 0.153 1.00 0.00 O ATOM 204 CB VAL A 16 7.891 3.929 -2.548 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.763 2.418 -2.780 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.451 4.591 -3.811 1.00 0.00 C ATOM 0 H VAL A 16 7.397 6.257 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 16 5.831 4.334 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 16 8.565 4.108 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.743 2.001 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.370 1.944 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.085 2.234 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.428 4.166 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.772 4.415 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.552 5.664 -3.645 1.00 0.00 H new ATOM 216 N LEU A 17 5.077 2.905 -1.127 1.00 0.00 N ATOM 217 CA LEU A 17 4.491 2.203 0.010 1.00 0.00 C ATOM 218 C LEU A 17 4.884 0.733 -0.031 1.00 0.00 C ATOM 219 O LEU A 17 4.339 -0.047 -0.814 1.00 0.00 O ATOM 220 CB LEU A 17 2.962 2.340 -0.016 1.00 0.00 C ATOM 221 CG LEU A 17 2.482 3.159 1.191 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.823 2.420 2.491 1.00 0.00 C ATOM 223 CD2 LEU A 17 3.162 4.534 1.191 1.00 0.00 C ATOM 0 H LEU A 17 4.748 2.585 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 17 4.867 2.646 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.649 2.824 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.501 1.352 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 17 1.402 3.290 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.480 3.006 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.330 1.448 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.902 2.280 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.817 5.110 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.243 4.405 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.910 5.065 0.273 1.00 0.00 H new ATOM 235 N ARG A 18 5.848 0.370 0.810 1.00 0.00 N ATOM 236 CA ARG A 18 6.335 -1.002 0.865 1.00 0.00 C ATOM 237 C ARG A 18 5.870 -1.697 2.141 1.00 0.00 C ATOM 238 O ARG A 18 6.315 -1.362 3.240 1.00 0.00 O ATOM 239 CB ARG A 18 7.865 -0.998 0.783 1.00 0.00 C ATOM 240 CG ARG A 18 8.305 -1.658 -0.523 1.00 0.00 C ATOM 241 CD ARG A 18 9.821 -1.522 -0.686 1.00 0.00 C ATOM 242 NE ARG A 18 10.192 -0.119 -0.839 1.00 0.00 N ATOM 243 CZ ARG A 18 11.465 0.260 -0.827 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.042 0.569 0.302 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.140 0.318 -1.942 1.00 0.00 N ATOM 0 H ARG A 18 6.306 1.007 1.462 1.00 0.00 H new ATOM 0 HA ARG A 18 5.927 -1.556 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.240 0.024 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.287 -1.533 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.023 -2.711 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.796 -1.192 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.326 -1.946 0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.152 -2.089 -1.556 1.00 0.00 H new ATOM 0 HE ARG A 18 9.461 0.583 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.515 0.519 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.020 0.860 0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.690 0.072 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.118 0.609 -1.932 1.00 0.00 H new ATOM 259 N LEU A 19 4.972 -2.672 1.982 1.00 0.00 N ATOM 260 CA LEU A 19 4.450 -3.419 3.123 1.00 0.00 C ATOM 261 C LEU A 19 4.264 -4.894 2.770 1.00 0.00 C ATOM 262 O LEU A 19 4.551 -5.321 1.650 1.00 0.00 O ATOM 263 CB LEU A 19 3.116 -2.817 3.601 1.00 0.00 C ATOM 264 CG LEU A 19 2.009 -3.022 2.553 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.326 -4.381 2.763 1.00 0.00 C ATOM 266 CD2 LEU A 19 0.963 -1.915 2.706 1.00 0.00 C ATOM 0 H LEU A 19 4.595 -2.960 1.079 1.00 0.00 H new ATOM 0 HA LEU A 19 5.177 -3.347 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.821 -3.281 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.243 -1.752 3.797 1.00 0.00 H new ATOM 0 HG LEU A 19 2.452 -2.991 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.544 -4.515 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.063 -5.178 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.885 -4.417 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.175 -2.054 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.533 -1.957 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.436 -0.944 2.555 1.00 0.00 H new ATOM 278 N TYR A 20 3.784 -5.659 3.745 1.00 0.00 N ATOM 279 CA TYR A 20 3.553 -7.089 3.568 1.00 0.00 C ATOM 280 C TYR A 20 2.055 -7.374 3.576 1.00 0.00 C ATOM 281 O TYR A 20 1.415 -7.341 4.627 1.00 0.00 O ATOM 282 CB TYR A 20 4.229 -7.853 4.709 1.00 0.00 C ATOM 283 CG TYR A 20 4.233 -9.336 4.429 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.092 -9.871 3.459 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.390 -10.180 5.160 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.100 -11.250 3.219 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.401 -11.557 4.923 1.00 0.00 C ATOM 288 CZ TYR A 20 4.256 -12.094 3.953 1.00 0.00 C ATOM 289 OH TYR A 20 4.266 -13.453 3.722 1.00 0.00 O ATOM 0 H TYR A 20 3.546 -5.309 4.673 1.00 0.00 H new ATOM 0 HA TYR A 20 3.971 -7.410 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.252 -7.499 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.706 -7.656 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.746 -9.220 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.730 -9.767 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.757 -11.664 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.750 -12.207 5.488 1.00 0.00 H new ATOM 0 HH TYR A 20 3.622 -13.891 4.317 1.00 0.00 H new ATOM 299 N ILE A 21 1.501 -7.642 2.399 1.00 0.00 N ATOM 300 CA ILE A 21 0.075 -7.919 2.282 1.00 0.00 C ATOM 301 C ILE A 21 -0.254 -9.290 2.863 1.00 0.00 C ATOM 302 O ILE A 21 0.446 -10.269 2.604 1.00 0.00 O ATOM 303 CB ILE A 21 -0.349 -7.864 0.810 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.227 -6.420 0.297 1.00 0.00 C ATOM 305 CG2 ILE A 21 -1.796 -8.352 0.665 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.475 -5.615 0.678 1.00 0.00 C ATOM 0 H ILE A 21 2.014 -7.673 1.518 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.472 -7.162 2.844 1.00 0.00 H new ATOM 0 HB ILE A 21 0.301 -8.512 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.661 -5.950 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.102 -6.420 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.091 -8.310 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.871 -9.379 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.456 -7.714 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.376 -4.594 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.356 -6.078 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.581 -5.600 1.763 1.00 0.00 H new ATOM 318 N GLN A 22 -1.329 -9.344 3.644 1.00 0.00 N ATOM 319 CA GLN A 22 -1.767 -10.590 4.262 1.00 0.00 C ATOM 320 C GLN A 22 -3.218 -10.874 3.875 1.00 0.00 C ATOM 321 O GLN A 22 -4.148 -10.476 4.576 1.00 0.00 O ATOM 322 CB GLN A 22 -1.641 -10.487 5.789 1.00 0.00 C ATOM 323 CG GLN A 22 -0.611 -11.500 6.295 1.00 0.00 C ATOM 324 CD GLN A 22 -1.073 -12.920 5.985 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.992 -13.430 6.628 1.00 0.00 O ATOM 326 NE2 GLN A 22 -0.489 -13.593 5.030 1.00 0.00 N ATOM 0 H GLN A 22 -1.913 -8.537 3.864 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.137 -11.407 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.341 -9.478 6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.608 -10.674 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.355 -11.313 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.471 -11.382 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.272 -13.169 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.794 -14.543 4.815 1.00 0.00 H new ATOM 335 N PRO A 23 -3.428 -11.537 2.766 1.00 0.00 N ATOM 336 CA PRO A 23 -4.794 -11.859 2.270 1.00 0.00 C ATOM 337 C PRO A 23 -5.469 -12.956 3.086 1.00 0.00 C ATOM 338 O PRO A 23 -4.809 -13.702 3.812 1.00 0.00 O ATOM 339 CB PRO A 23 -4.585 -12.307 0.815 1.00 0.00 C ATOM 340 CG PRO A 23 -3.115 -12.217 0.532 1.00 0.00 C ATOM 341 CD PRO A 23 -2.393 -12.055 1.869 1.00 0.00 C ATOM 0 HA PRO A 23 -5.456 -10.998 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.943 -13.326 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.148 -11.671 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.769 -13.113 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.903 -11.371 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.994 -13.005 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.552 -11.366 1.788 1.00 0.00 H new ATOM 349 N LYS A 24 -6.793 -13.034 2.959 1.00 0.00 N ATOM 350 CA LYS A 24 -7.584 -14.030 3.678 1.00 0.00 C ATOM 351 C LYS A 24 -7.521 -13.784 5.181 1.00 0.00 C ATOM 352 O LYS A 24 -7.321 -14.710 5.969 1.00 0.00 O ATOM 353 CB LYS A 24 -7.096 -15.451 3.355 1.00 0.00 C ATOM 354 CG LYS A 24 -7.741 -15.937 2.051 1.00 0.00 C ATOM 355 CD LYS A 24 -6.903 -15.483 0.849 1.00 0.00 C ATOM 356 CE LYS A 24 -5.483 -16.055 0.942 1.00 0.00 C ATOM 357 NZ LYS A 24 -5.520 -17.410 1.564 1.00 0.00 N ATOM 0 H LYS A 24 -7.342 -12.416 2.362 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.620 -13.936 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.010 -15.460 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.350 -16.127 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.821 -17.024 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.754 -15.543 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.375 -15.812 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.862 -14.394 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.040 -16.114 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.852 -15.391 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.649 -17.925 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.595 -17.316 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.342 -17.935 1.204 1.00 0.00 H new ATOM 371 N ALA A 25 -7.713 -12.527 5.572 1.00 0.00 N ATOM 372 CA ALA A 25 -7.701 -12.161 6.971 1.00 0.00 C ATOM 373 C ALA A 25 -9.125 -12.225 7.501 1.00 0.00 C ATOM 374 O ALA A 25 -9.476 -13.120 8.271 1.00 0.00 O ATOM 375 CB ALA A 25 -7.132 -10.748 7.126 1.00 0.00 C ATOM 0 H ALA A 25 -7.878 -11.749 4.933 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.073 -12.848 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.123 -10.473 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.115 -10.721 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.752 -10.043 6.572 1.00 0.00 H new ATOM 381 N SER A 26 -9.931 -11.268 7.057 1.00 0.00 N ATOM 382 CA SER A 26 -11.338 -11.172 7.442 1.00 0.00 C ATOM 383 C SER A 26 -11.827 -9.755 7.187 1.00 0.00 C ATOM 384 O SER A 26 -13.024 -9.508 7.042 1.00 0.00 O ATOM 385 CB SER A 26 -11.527 -11.516 8.924 1.00 0.00 C ATOM 386 OG SER A 26 -11.865 -12.892 9.050 1.00 0.00 O ATOM 0 H SER A 26 -9.628 -10.533 6.418 1.00 0.00 H new ATOM 0 HA SER A 26 -11.912 -11.884 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.613 -11.303 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.313 -10.896 9.355 1.00 0.00 H new ATOM 0 HG SER A 26 -11.104 -13.443 8.771 1.00 0.00 H new ATOM 392 N ARG A 27 -10.873 -8.827 7.136 1.00 0.00 N ATOM 393 CA ARG A 27 -11.181 -7.420 6.902 1.00 0.00 C ATOM 394 C ARG A 27 -9.893 -6.632 6.683 1.00 0.00 C ATOM 395 O ARG A 27 -8.893 -6.876 7.358 1.00 0.00 O ATOM 396 CB ARG A 27 -11.933 -6.841 8.107 1.00 0.00 C ATOM 397 CG ARG A 27 -11.303 -7.358 9.406 1.00 0.00 C ATOM 398 CD ARG A 27 -11.874 -6.589 10.598 1.00 0.00 C ATOM 399 NE ARG A 27 -11.121 -5.360 10.811 1.00 0.00 N ATOM 400 CZ ARG A 27 -10.862 -4.915 12.036 1.00 0.00 C ATOM 401 NH1 ARG A 27 -11.775 -4.258 12.696 1.00 0.00 N ATOM 402 NH2 ARG A 27 -9.695 -5.133 12.577 1.00 0.00 N ATOM 0 H ARG A 27 -9.880 -9.026 7.254 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.807 -7.342 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.896 -5.752 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.984 -7.126 8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.503 -8.424 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.220 -7.239 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.924 -6.355 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.833 -7.209 11.494 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.787 -4.832 10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.687 -4.086 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.577 -3.916 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.981 -5.645 12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.497 -4.791 13.517 1.00 0.00 H new ATOM 416 N ASP A 28 -9.926 -5.685 5.748 1.00 0.00 N ATOM 417 CA ASP A 28 -8.751 -4.865 5.469 1.00 0.00 C ATOM 418 C ASP A 28 -8.400 -4.032 6.689 1.00 0.00 C ATOM 419 O ASP A 28 -8.842 -2.891 6.837 1.00 0.00 O ATOM 420 CB ASP A 28 -9.004 -3.933 4.296 1.00 0.00 C ATOM 421 CG ASP A 28 -10.014 -4.545 3.328 1.00 0.00 C ATOM 422 OD1 ASP A 28 -9.740 -5.617 2.816 1.00 0.00 O ATOM 423 OD2 ASP A 28 -11.046 -3.931 3.113 1.00 0.00 O ATOM 0 H ASP A 28 -10.743 -5.469 5.177 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.927 -5.534 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.376 -2.975 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.068 -3.734 3.775 1.00 0.00 H new ATOM 428 N SER A 29 -7.619 -4.624 7.562 1.00 0.00 N ATOM 429 CA SER A 29 -7.207 -3.957 8.793 1.00 0.00 C ATOM 430 C SER A 29 -5.697 -4.050 9.001 1.00 0.00 C ATOM 431 O SER A 29 -5.104 -5.121 8.867 1.00 0.00 O ATOM 432 CB SER A 29 -7.933 -4.579 9.987 1.00 0.00 C ATOM 433 OG SER A 29 -9.019 -3.741 10.363 1.00 0.00 O ATOM 0 H SER A 29 -7.251 -5.569 7.450 1.00 0.00 H new ATOM 0 HA SER A 29 -7.471 -2.903 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.298 -5.573 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.245 -4.700 10.824 1.00 0.00 H new ATOM 0 HG SER A 29 -8.796 -3.269 11.192 1.00 0.00 H new ATOM 439 N ILE A 30 -5.091 -2.915 9.346 1.00 0.00 N ATOM 440 CA ILE A 30 -3.653 -2.854 9.599 1.00 0.00 C ATOM 441 C ILE A 30 -3.388 -3.153 11.075 1.00 0.00 C ATOM 442 O ILE A 30 -3.340 -2.247 11.908 1.00 0.00 O ATOM 443 CB ILE A 30 -3.092 -1.470 9.216 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.241 -0.465 9.029 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.305 -1.584 7.908 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.703 0.841 8.434 1.00 0.00 C ATOM 0 H ILE A 30 -5.575 -2.024 9.457 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.148 -3.600 8.985 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.437 -1.120 10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.001 -0.887 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.722 -0.267 9.987 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.908 -0.606 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.482 -2.286 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.964 -1.941 7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.523 1.547 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.959 1.268 9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.243 0.638 7.467 1.00 0.00 H new ATOM 458 N VAL A 31 -3.258 -4.440 11.385 1.00 0.00 N ATOM 459 CA VAL A 31 -3.041 -4.895 12.760 1.00 0.00 C ATOM 460 C VAL A 31 -1.657 -5.526 12.940 1.00 0.00 C ATOM 461 O VAL A 31 -1.442 -6.286 13.887 1.00 0.00 O ATOM 462 CB VAL A 31 -4.120 -5.914 13.154 1.00 0.00 C ATOM 463 CG1 VAL A 31 -4.403 -5.812 14.656 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.412 -5.633 12.378 1.00 0.00 C ATOM 0 H VAL A 31 -3.299 -5.193 10.698 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.101 -4.019 13.406 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.764 -6.916 12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.169 -6.537 14.932 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.490 -6.020 15.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.752 -4.807 14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.173 -6.360 12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.765 -4.628 12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.218 -5.711 11.308 1.00 0.00 H new ATOM 474 N GLY A 32 -0.729 -5.238 12.027 1.00 0.00 N ATOM 475 CA GLY A 32 0.606 -5.821 12.106 1.00 0.00 C ATOM 476 C GLY A 32 1.642 -4.820 11.650 1.00 0.00 C ATOM 477 O GLY A 32 2.634 -5.165 11.007 1.00 0.00 O ATOM 0 H GLY A 32 -0.876 -4.613 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.815 -6.131 13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.657 -6.716 11.486 1.00 0.00 H new ATOM 481 N LEU A 33 1.400 -3.574 12.004 1.00 0.00 N ATOM 482 CA LEU A 33 2.299 -2.498 11.654 1.00 0.00 C ATOM 483 C LEU A 33 3.559 -2.578 12.504 1.00 0.00 C ATOM 484 O LEU A 33 3.490 -2.525 13.732 1.00 0.00 O ATOM 485 CB LEU A 33 1.585 -1.174 11.888 1.00 0.00 C ATOM 486 CG LEU A 33 0.438 -1.026 10.887 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.080 0.412 10.922 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.940 -1.363 9.480 1.00 0.00 C ATOM 0 H LEU A 33 0.581 -3.282 12.538 1.00 0.00 H new ATOM 0 HA LEU A 33 2.588 -2.578 10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.200 -1.132 12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.286 -0.347 11.778 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.370 -1.708 11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.898 0.522 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.438 0.645 11.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.726 1.096 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.122 -1.257 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.748 -0.683 9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.308 -2.389 9.461 1.00 0.00 H new ATOM 500 N HIS A 34 4.705 -2.725 11.846 1.00 0.00 N ATOM 501 CA HIS A 34 5.968 -2.832 12.567 1.00 0.00 C ATOM 502 C HIS A 34 6.743 -1.515 12.532 1.00 0.00 C ATOM 503 O HIS A 34 6.529 -0.676 11.657 1.00 0.00 O ATOM 504 CB HIS A 34 6.814 -3.961 11.966 1.00 0.00 C ATOM 505 CG HIS A 34 8.039 -4.182 12.816 1.00 0.00 C ATOM 506 ND1 HIS A 34 9.323 -3.999 12.328 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.189 -4.571 14.125 1.00 0.00 C ATOM 508 CE1 HIS A 34 10.181 -4.276 13.326 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.542 -4.630 14.444 1.00 0.00 N ATOM 0 H HIS A 34 4.785 -2.772 10.830 1.00 0.00 H new ATOM 0 HA HIS A 34 5.747 -3.060 13.610 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.228 -4.878 11.910 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.107 -3.707 10.947 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.380 -4.797 14.803 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.256 -4.219 13.234 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.957 -4.888 15.339 1.00 0.00 H new ATOM 517 N GLY A 35 7.646 -1.343 13.495 1.00 0.00 N ATOM 518 CA GLY A 35 8.453 -0.129 13.566 1.00 0.00 C ATOM 519 C GLY A 35 9.441 -0.075 12.407 1.00 0.00 C ATOM 520 O GLY A 35 9.963 0.987 12.073 1.00 0.00 O ATOM 0 H GLY A 35 7.836 -2.023 14.231 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.805 0.747 13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.992 -0.099 14.513 1.00 0.00 H new ATOM 524 N ASP A 36 9.685 -1.233 11.796 1.00 0.00 N ATOM 525 CA ASP A 36 10.608 -1.324 10.669 1.00 0.00 C ATOM 526 C ASP A 36 9.878 -1.832 9.428 1.00 0.00 C ATOM 527 O ASP A 36 10.364 -1.674 8.307 1.00 0.00 O ATOM 528 CB ASP A 36 11.766 -2.276 11.000 1.00 0.00 C ATOM 529 CG ASP A 36 12.489 -1.837 12.276 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.819 -1.586 13.265 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.706 -1.766 12.246 1.00 0.00 O ATOM 0 H ASP A 36 9.257 -2.119 12.063 1.00 0.00 H new ATOM 0 HA ASP A 36 11.006 -0.328 10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.384 -3.289 11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.470 -2.300 10.169 1.00 0.00 H new ATOM 536 N GLU A 37 8.713 -2.447 9.638 1.00 0.00 N ATOM 537 CA GLU A 37 7.925 -2.984 8.528 1.00 0.00 C ATOM 538 C GLU A 37 6.453 -2.603 8.678 1.00 0.00 C ATOM 539 O GLU A 37 6.077 -1.884 9.599 1.00 0.00 O ATOM 540 CB GLU A 37 8.044 -4.514 8.476 1.00 0.00 C ATOM 541 CG GLU A 37 9.442 -4.963 8.927 1.00 0.00 C ATOM 542 CD GLU A 37 10.516 -4.484 7.947 1.00 0.00 C ATOM 543 OE1 GLU A 37 10.219 -4.375 6.767 1.00 0.00 O ATOM 544 OE2 GLU A 37 11.625 -4.238 8.394 1.00 0.00 O ATOM 0 H GLU A 37 8.297 -2.585 10.559 1.00 0.00 H new ATOM 0 HA GLU A 37 8.315 -2.557 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.287 -4.965 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.853 -4.865 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.651 -4.569 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.472 -6.050 9.002 1.00 0.00 H new ATOM 551 N VAL A 38 5.630 -3.100 7.764 1.00 0.00 N ATOM 552 CA VAL A 38 4.202 -2.830 7.787 1.00 0.00 C ATOM 553 C VAL A 38 3.453 -4.071 7.329 1.00 0.00 C ATOM 554 O VAL A 38 3.682 -4.569 6.226 1.00 0.00 O ATOM 555 CB VAL A 38 3.868 -1.653 6.867 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.346 -1.544 6.700 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.409 -0.352 7.472 1.00 0.00 C ATOM 0 H VAL A 38 5.932 -3.696 6.993 1.00 0.00 H new ATOM 0 HA VAL A 38 3.902 -2.572 8.803 1.00 0.00 H new ATOM 0 HB VAL A 38 4.330 -1.818 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.111 -0.705 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.961 -2.465 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.884 -1.384 7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.169 0.483 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.953 -0.187 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.491 -0.425 7.585 1.00 0.00 H new ATOM 567 N LYS A 39 2.571 -4.575 8.178 1.00 0.00 N ATOM 568 CA LYS A 39 1.812 -5.767 7.839 1.00 0.00 C ATOM 569 C LYS A 39 0.312 -5.489 7.888 1.00 0.00 C ATOM 570 O LYS A 39 -0.247 -5.231 8.954 1.00 0.00 O ATOM 571 CB LYS A 39 2.175 -6.897 8.806 1.00 0.00 C ATOM 572 CG LYS A 39 2.353 -8.191 8.013 1.00 0.00 C ATOM 573 CD LYS A 39 2.007 -9.407 8.885 1.00 0.00 C ATOM 574 CE LYS A 39 0.550 -9.326 9.366 1.00 0.00 C ATOM 575 NZ LYS A 39 -0.293 -8.665 8.329 1.00 0.00 N ATOM 0 H LYS A 39 2.365 -4.182 9.097 1.00 0.00 H new ATOM 0 HA LYS A 39 2.065 -6.067 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.093 -6.654 9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.392 -7.019 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.713 -8.175 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.381 -8.270 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.158 -10.325 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.678 -9.449 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.170 -10.327 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.497 -8.767 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.254 -9.061 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.334 -7.643 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.120 -8.830 7.389 1.00 0.00 H new ATOM 589 N VAL A 40 -0.332 -5.550 6.722 1.00 0.00 N ATOM 590 CA VAL A 40 -1.770 -5.313 6.636 1.00 0.00 C ATOM 591 C VAL A 40 -2.479 -6.584 6.199 1.00 0.00 C ATOM 592 O VAL A 40 -1.968 -7.333 5.367 1.00 0.00 O ATOM 593 CB VAL A 40 -2.073 -4.192 5.632 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.732 -4.656 4.211 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.563 -3.832 5.705 1.00 0.00 C ATOM 0 H VAL A 40 0.117 -5.760 5.831 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.128 -5.013 7.621 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.470 -3.318 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.950 -3.855 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.674 -4.911 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.330 -5.533 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.780 -3.036 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.162 -4.710 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.807 -3.494 6.712 1.00 0.00 H new ATOM 605 N ALA A 41 -3.659 -6.818 6.757 1.00 0.00 N ATOM 606 CA ALA A 41 -4.425 -8.002 6.406 1.00 0.00 C ATOM 607 C ALA A 41 -5.626 -7.621 5.558 1.00 0.00 C ATOM 608 O ALA A 41 -6.595 -7.056 6.061 1.00 0.00 O ATOM 609 CB ALA A 41 -4.902 -8.729 7.665 1.00 0.00 C ATOM 0 H ALA A 41 -4.101 -6.210 7.447 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.777 -8.667 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.474 -9.612 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.040 -9.031 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.533 -8.063 8.253 1.00 0.00 H new ATOM 615 N ILE A 42 -5.560 -7.948 4.273 1.00 0.00 N ATOM 616 CA ILE A 42 -6.658 -7.652 3.366 1.00 0.00 C ATOM 617 C ILE A 42 -7.576 -8.870 3.299 1.00 0.00 C ATOM 618 O ILE A 42 -7.123 -10.005 3.449 1.00 0.00 O ATOM 619 CB ILE A 42 -6.106 -7.292 1.974 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.248 -6.815 1.064 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.431 -8.513 1.344 1.00 0.00 C ATOM 622 CD1 ILE A 42 -7.314 -5.287 1.084 1.00 0.00 C ATOM 0 H ILE A 42 -4.763 -8.415 3.840 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.229 -6.796 3.727 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.373 -6.493 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.087 -7.169 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.196 -7.235 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.044 -8.248 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.610 -8.843 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.158 -9.319 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.124 -4.949 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.495 -4.944 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.370 -4.877 0.725 1.00 0.00 H new ATOM 634 N THR A 43 -8.865 -8.628 3.104 1.00 0.00 N ATOM 635 CA THR A 43 -9.842 -9.717 3.054 1.00 0.00 C ATOM 636 C THR A 43 -10.108 -10.141 1.614 1.00 0.00 C ATOM 637 O THR A 43 -11.242 -10.444 1.240 1.00 0.00 O ATOM 638 CB THR A 43 -11.148 -9.279 3.735 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.034 -10.388 3.823 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.810 -8.154 2.931 1.00 0.00 C ATOM 0 H THR A 43 -9.260 -7.696 2.978 1.00 0.00 H new ATOM 0 HA THR A 43 -9.434 -10.575 3.588 1.00 0.00 H new ATOM 0 HB THR A 43 -10.921 -8.913 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.144 -10.790 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.735 -7.851 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.134 -7.301 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.033 -8.509 1.925 1.00 0.00 H new ATOM 648 N ALA A 44 -9.049 -10.159 0.812 1.00 0.00 N ATOM 649 CA ALA A 44 -9.163 -10.545 -0.587 1.00 0.00 C ATOM 650 C ALA A 44 -8.697 -11.987 -0.798 1.00 0.00 C ATOM 651 O ALA A 44 -7.754 -12.443 -0.146 1.00 0.00 O ATOM 652 CB ALA A 44 -8.324 -9.602 -1.450 1.00 0.00 C ATOM 0 H ALA A 44 -8.105 -9.911 1.107 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.211 -10.477 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.411 -9.893 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.682 -8.580 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.280 -9.660 -1.143 1.00 0.00 H new ATOM 658 N PRO A 45 -9.340 -12.695 -1.701 1.00 0.00 N ATOM 659 CA PRO A 45 -8.989 -14.107 -2.029 1.00 0.00 C ATOM 660 C PRO A 45 -7.500 -14.280 -2.353 1.00 0.00 C ATOM 661 O PRO A 45 -6.747 -13.306 -2.402 1.00 0.00 O ATOM 662 CB PRO A 45 -9.857 -14.461 -3.247 1.00 0.00 C ATOM 663 CG PRO A 45 -10.689 -13.263 -3.577 1.00 0.00 C ATOM 664 CD PRO A 45 -10.479 -12.210 -2.490 1.00 0.00 C ATOM 0 HA PRO A 45 -9.174 -14.762 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.231 -14.737 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.492 -15.319 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.407 -12.863 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.742 -13.539 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.270 -11.232 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.369 -12.100 -1.871 1.00 0.00 H new ATOM 672 N PRO A 46 -7.068 -15.500 -2.564 1.00 0.00 N ATOM 673 CA PRO A 46 -5.642 -15.819 -2.875 1.00 0.00 C ATOM 674 C PRO A 46 -5.244 -15.478 -4.313 1.00 0.00 C ATOM 675 O PRO A 46 -4.116 -15.751 -4.726 1.00 0.00 O ATOM 676 CB PRO A 46 -5.529 -17.334 -2.631 1.00 0.00 C ATOM 677 CG PRO A 46 -6.882 -17.811 -2.194 1.00 0.00 C ATOM 678 CD PRO A 46 -7.887 -16.713 -2.529 1.00 0.00 C ATOM 0 HA PRO A 46 -4.970 -15.226 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.214 -17.848 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.780 -17.547 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.144 -18.739 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.887 -18.022 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.376 -16.895 -3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.673 -16.645 -1.777 1.00 0.00 H new ATOM 686 N VAL A 47 -6.163 -14.884 -5.073 1.00 0.00 N ATOM 687 CA VAL A 47 -5.870 -14.521 -6.460 1.00 0.00 C ATOM 688 C VAL A 47 -5.595 -13.021 -6.577 1.00 0.00 C ATOM 689 O VAL A 47 -6.210 -12.214 -5.878 1.00 0.00 O ATOM 690 CB VAL A 47 -7.041 -14.921 -7.368 1.00 0.00 C ATOM 691 CG1 VAL A 47 -8.280 -14.095 -7.018 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.662 -14.676 -8.833 1.00 0.00 C ATOM 0 H VAL A 47 -7.104 -14.646 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.977 -15.059 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.261 -15.978 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.106 -14.385 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.555 -14.274 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.063 -13.036 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.494 -14.960 -9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.435 -13.620 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.786 -15.273 -9.087 1.00 0.00 H new ATOM 702 N ASP A 48 -4.662 -12.657 -7.461 1.00 0.00 N ATOM 703 CA ASP A 48 -4.304 -11.251 -7.656 1.00 0.00 C ATOM 704 C ASP A 48 -5.497 -10.448 -8.155 1.00 0.00 C ATOM 705 O ASP A 48 -5.926 -9.512 -7.503 1.00 0.00 O ATOM 706 CB ASP A 48 -3.157 -11.116 -8.663 1.00 0.00 C ATOM 707 CG ASP A 48 -2.137 -12.234 -8.457 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.420 -12.183 -7.470 1.00 0.00 O ATOM 709 OD2 ASP A 48 -2.087 -13.125 -9.289 1.00 0.00 O ATOM 0 H ASP A 48 -4.145 -13.311 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.987 -10.860 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.550 -11.155 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.673 -10.146 -8.545 1.00 0.00 H new ATOM 714 N GLY A 49 -6.019 -10.814 -9.321 1.00 0.00 N ATOM 715 CA GLY A 49 -7.160 -10.105 -9.900 1.00 0.00 C ATOM 716 C GLY A 49 -8.075 -9.525 -8.819 1.00 0.00 C ATOM 717 O GLY A 49 -8.519 -8.381 -8.917 1.00 0.00 O ATOM 0 H GLY A 49 -5.674 -11.593 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.801 -9.301 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.730 -10.787 -10.531 1.00 0.00 H new ATOM 721 N GLN A 50 -8.348 -10.326 -7.791 1.00 0.00 N ATOM 722 CA GLN A 50 -9.216 -9.893 -6.698 1.00 0.00 C ATOM 723 C GLN A 50 -8.443 -9.059 -5.671 1.00 0.00 C ATOM 724 O GLN A 50 -8.940 -8.038 -5.194 1.00 0.00 O ATOM 725 CB GLN A 50 -9.845 -11.119 -6.023 1.00 0.00 C ATOM 726 CG GLN A 50 -10.970 -11.682 -6.908 1.00 0.00 C ATOM 727 CD GLN A 50 -10.553 -11.690 -8.380 1.00 0.00 C ATOM 728 OE1 GLN A 50 -10.077 -12.706 -8.887 1.00 0.00 O ATOM 729 NE2 GLN A 50 -10.703 -10.611 -9.102 1.00 0.00 N ATOM 0 H GLN A 50 -7.983 -11.273 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.003 -9.263 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.086 -11.883 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.242 -10.844 -5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.216 -12.695 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.871 -11.081 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.097 -9.768 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.426 -10.612 -10.084 1.00 0.00 H new ATOM 738 N ALA A 51 -7.226 -9.488 -5.342 1.00 0.00 N ATOM 739 CA ALA A 51 -6.399 -8.754 -4.382 1.00 0.00 C ATOM 740 C ALA A 51 -5.971 -7.415 -4.979 1.00 0.00 C ATOM 741 O ALA A 51 -6.199 -6.358 -4.391 1.00 0.00 O ATOM 742 CB ALA A 51 -5.160 -9.575 -4.016 1.00 0.00 C ATOM 0 H ALA A 51 -6.793 -10.330 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.985 -8.574 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.553 -9.019 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.469 -10.521 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.575 -9.771 -4.914 1.00 0.00 H new ATOM 748 N ASN A 52 -5.363 -7.479 -6.160 1.00 0.00 N ATOM 749 CA ASN A 52 -4.913 -6.288 -6.867 1.00 0.00 C ATOM 750 C ASN A 52 -6.032 -5.250 -6.914 1.00 0.00 C ATOM 751 O ASN A 52 -5.800 -4.067 -6.656 1.00 0.00 O ATOM 752 CB ASN A 52 -4.484 -6.668 -8.291 1.00 0.00 C ATOM 753 CG ASN A 52 -4.007 -5.432 -9.049 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.818 -4.591 -9.443 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.732 -5.270 -9.279 1.00 0.00 N ATOM 0 H ASN A 52 -5.170 -8.353 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.062 -5.858 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.686 -7.409 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.320 -7.127 -8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.406 -4.447 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.062 -5.967 -8.952 1.00 0.00 H new ATOM 762 N SER A 53 -7.250 -5.701 -7.228 1.00 0.00 N ATOM 763 CA SER A 53 -8.395 -4.796 -7.283 1.00 0.00 C ATOM 764 C SER A 53 -8.523 -4.043 -5.962 1.00 0.00 C ATOM 765 O SER A 53 -8.726 -2.831 -5.943 1.00 0.00 O ATOM 766 CB SER A 53 -9.684 -5.576 -7.554 1.00 0.00 C ATOM 767 OG SER A 53 -9.658 -6.084 -8.881 1.00 0.00 O ATOM 0 H SER A 53 -7.464 -6.674 -7.445 1.00 0.00 H new ATOM 0 HA SER A 53 -8.236 -4.086 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.783 -6.395 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.550 -4.928 -7.418 1.00 0.00 H new ATOM 0 HG SER A 53 -9.589 -7.061 -8.856 1.00 0.00 H new ATOM 773 N HIS A 54 -8.385 -4.776 -4.858 1.00 0.00 N ATOM 774 CA HIS A 54 -8.469 -4.173 -3.531 1.00 0.00 C ATOM 775 C HIS A 54 -7.282 -3.247 -3.302 1.00 0.00 C ATOM 776 O HIS A 54 -7.431 -2.156 -2.763 1.00 0.00 O ATOM 777 CB HIS A 54 -8.458 -5.257 -2.450 1.00 0.00 C ATOM 778 CG HIS A 54 -9.855 -5.744 -2.182 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.853 -5.710 -3.143 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.432 -6.288 -1.061 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.968 -6.220 -2.588 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.766 -6.588 -1.319 1.00 0.00 N ATOM 0 H HIS A 54 -8.216 -5.782 -4.857 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.399 -3.608 -3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.830 -6.090 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.022 -4.861 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.927 -6.457 -0.121 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.911 -6.320 -3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.444 -7.000 -0.678 1.00 0.00 H new ATOM 790 N LEU A 55 -6.101 -3.701 -3.710 1.00 0.00 N ATOM 791 CA LEU A 55 -4.883 -2.913 -3.543 1.00 0.00 C ATOM 792 C LEU A 55 -5.048 -1.531 -4.165 1.00 0.00 C ATOM 793 O LEU A 55 -4.956 -0.514 -3.475 1.00 0.00 O ATOM 794 CB LEU A 55 -3.706 -3.637 -4.203 1.00 0.00 C ATOM 795 CG LEU A 55 -2.447 -3.474 -3.346 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.495 -4.457 -2.174 1.00 0.00 C ATOM 797 CD2 LEU A 55 -1.209 -3.763 -4.199 1.00 0.00 C ATOM 0 H LEU A 55 -5.961 -4.607 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.689 -2.795 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.940 -4.695 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.532 -3.233 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.398 -2.454 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.599 -4.341 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.376 -4.255 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.544 -5.477 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.312 -3.647 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.260 -4.783 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.172 -3.065 -5.035 1.00 0.00 H new ATOM 809 N VAL A 56 -5.296 -1.505 -5.472 1.00 0.00 N ATOM 810 CA VAL A 56 -5.479 -0.245 -6.183 1.00 0.00 C ATOM 811 C VAL A 56 -6.634 0.547 -5.566 1.00 0.00 C ATOM 812 O VAL A 56 -6.698 1.770 -5.692 1.00 0.00 O ATOM 813 CB VAL A 56 -5.740 -0.520 -7.675 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.245 -0.615 -7.947 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.141 0.612 -8.516 1.00 0.00 C ATOM 0 H VAL A 56 -5.374 -2.337 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.571 0.352 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.273 -1.467 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.412 -0.810 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.671 -1.427 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.725 0.324 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.326 0.417 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.604 1.558 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.067 0.667 -8.340 1.00 0.00 H new ATOM 825 N LYS A 57 -7.540 -0.164 -4.893 1.00 0.00 N ATOM 826 CA LYS A 57 -8.686 0.475 -4.252 1.00 0.00 C ATOM 827 C LYS A 57 -8.274 1.106 -2.926 1.00 0.00 C ATOM 828 O LYS A 57 -8.318 2.321 -2.780 1.00 0.00 O ATOM 829 CB LYS A 57 -9.799 -0.549 -4.011 1.00 0.00 C ATOM 830 CG LYS A 57 -11.116 0.183 -3.732 1.00 0.00 C ATOM 831 CD LYS A 57 -12.176 -0.824 -3.276 1.00 0.00 C ATOM 832 CE LYS A 57 -13.566 -0.192 -3.385 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.927 -0.032 -4.823 1.00 0.00 N ATOM 0 H LYS A 57 -7.502 -1.177 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.056 1.257 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.908 -1.196 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.541 -1.190 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.966 0.942 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.454 0.700 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.125 -1.723 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.984 -1.129 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.303 -0.818 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.577 0.777 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.962 -0.034 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.546 0.868 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.525 -0.819 -5.371 1.00 0.00 H new ATOM 847 N PHE A 58 -7.878 0.271 -1.963 1.00 0.00 N ATOM 848 CA PHE A 58 -7.462 0.758 -0.645 1.00 0.00 C ATOM 849 C PHE A 58 -6.710 2.081 -0.766 1.00 0.00 C ATOM 850 O PHE A 58 -7.089 3.076 -0.149 1.00 0.00 O ATOM 851 CB PHE A 58 -6.565 -0.285 0.039 1.00 0.00 C ATOM 852 CG PHE A 58 -6.718 -0.202 1.544 1.00 0.00 C ATOM 853 CD1 PHE A 58 -7.961 -0.448 2.139 1.00 0.00 C ATOM 854 CD2 PHE A 58 -5.612 0.115 2.348 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.101 -0.375 3.531 1.00 0.00 C ATOM 856 CE2 PHE A 58 -5.753 0.187 3.738 1.00 0.00 C ATOM 857 CZ PHE A 58 -6.997 -0.057 4.330 1.00 0.00 C ATOM 0 H PHE A 58 -7.836 -0.743 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.356 0.921 -0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.829 -1.285 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.524 -0.117 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.814 -0.695 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.651 0.304 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.061 -0.564 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.901 0.431 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.105 0.000 5.403 1.00 0.00 H new ATOM 867 N LEU A 59 -5.654 2.087 -1.570 1.00 0.00 N ATOM 868 CA LEU A 59 -4.866 3.297 -1.770 1.00 0.00 C ATOM 869 C LEU A 59 -5.679 4.332 -2.535 1.00 0.00 C ATOM 870 O LEU A 59 -6.010 5.377 -2.004 1.00 0.00 O ATOM 871 CB LEU A 59 -3.590 2.977 -2.559 1.00 0.00 C ATOM 872 CG LEU A 59 -2.490 2.472 -1.617 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.017 3.608 -0.710 1.00 0.00 C ATOM 874 CD2 LEU A 59 -3.028 1.322 -0.759 1.00 0.00 C ATOM 0 H LEU A 59 -5.325 1.274 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.596 3.696 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.803 2.223 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.247 3.868 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.650 2.116 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.236 3.241 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.622 4.420 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.856 3.974 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.242 0.967 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.874 1.674 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.351 0.506 -1.405 1.00 0.00 H new ATOM 886 N GLY A 60 -5.994 4.037 -3.789 1.00 0.00 N ATOM 887 CA GLY A 60 -6.763 4.967 -4.614 1.00 0.00 C ATOM 888 C GLY A 60 -7.884 5.644 -3.824 1.00 0.00 C ATOM 889 O GLY A 60 -8.181 6.816 -4.044 1.00 0.00 O ATOM 0 H GLY A 60 -5.733 3.169 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.096 5.727 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.190 4.431 -5.462 1.00 0.00 H new ATOM 893 N LYS A 61 -8.502 4.902 -2.908 1.00 0.00 N ATOM 894 CA LYS A 61 -9.588 5.446 -2.094 1.00 0.00 C ATOM 895 C LYS A 61 -9.042 6.243 -0.909 1.00 0.00 C ATOM 896 O LYS A 61 -9.315 7.436 -0.773 1.00 0.00 O ATOM 897 CB LYS A 61 -10.473 4.303 -1.581 1.00 0.00 C ATOM 898 CG LYS A 61 -11.895 4.450 -2.130 1.00 0.00 C ATOM 899 CD LYS A 61 -11.912 4.141 -3.631 1.00 0.00 C ATOM 900 CE LYS A 61 -13.296 4.465 -4.204 1.00 0.00 C ATOM 901 NZ LYS A 61 -13.549 5.932 -4.103 1.00 0.00 N ATOM 0 H LYS A 61 -8.272 3.928 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.178 6.118 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.055 3.344 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.493 4.310 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.569 3.774 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.258 5.463 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.149 4.727 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.674 3.091 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.353 4.147 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.064 3.915 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.263 6.210 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.895 6.160 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.665 6.450 -4.284 1.00 0.00 H new ATOM 915 N GLN A 62 -8.285 5.564 -0.048 1.00 0.00 N ATOM 916 CA GLN A 62 -7.712 6.196 1.144 1.00 0.00 C ATOM 917 C GLN A 62 -6.817 7.381 0.776 1.00 0.00 C ATOM 918 O GLN A 62 -6.844 8.418 1.439 1.00 0.00 O ATOM 919 CB GLN A 62 -6.899 5.159 1.930 1.00 0.00 C ATOM 920 CG GLN A 62 -6.475 5.742 3.277 1.00 0.00 C ATOM 921 CD GLN A 62 -7.702 6.004 4.147 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.179 7.136 4.228 1.00 0.00 O ATOM 923 NE2 GLN A 62 -8.246 5.016 4.806 1.00 0.00 N ATOM 0 H GLN A 62 -8.053 4.576 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.531 6.572 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.494 4.259 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.019 4.865 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.801 5.052 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.924 6.670 3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.850 4.078 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.067 5.182 5.388 1.00 0.00 H new ATOM 932 N PHE A 63 -6.032 7.218 -0.282 1.00 0.00 N ATOM 933 CA PHE A 63 -5.134 8.269 -0.743 1.00 0.00 C ATOM 934 C PHE A 63 -5.876 9.210 -1.683 1.00 0.00 C ATOM 935 O PHE A 63 -5.451 10.343 -1.910 1.00 0.00 O ATOM 936 CB PHE A 63 -3.922 7.649 -1.450 1.00 0.00 C ATOM 937 CG PHE A 63 -2.878 7.289 -0.420 1.00 0.00 C ATOM 938 CD1 PHE A 63 -3.107 6.232 0.469 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.684 8.015 -0.354 1.00 0.00 C ATOM 940 CE1 PHE A 63 -2.141 5.903 1.428 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.719 7.685 0.604 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.947 6.629 1.493 1.00 0.00 C ATOM 0 H PHE A 63 -6.000 6.364 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.781 8.841 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.224 6.761 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.509 8.352 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.028 5.671 0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.507 8.829 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.318 5.090 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.202 8.246 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.200 6.374 2.230 1.00 0.00 H new ATOM 952 N ARG A 64 -7.006 8.732 -2.203 1.00 0.00 N ATOM 953 CA ARG A 64 -7.843 9.525 -3.093 1.00 0.00 C ATOM 954 C ARG A 64 -7.112 9.954 -4.367 1.00 0.00 C ATOM 955 O ARG A 64 -7.668 10.695 -5.180 1.00 0.00 O ATOM 956 CB ARG A 64 -8.332 10.761 -2.351 1.00 0.00 C ATOM 957 CG ARG A 64 -9.525 10.392 -1.462 1.00 0.00 C ATOM 958 CD ARG A 64 -10.146 11.658 -0.863 1.00 0.00 C ATOM 959 NE ARG A 64 -9.115 12.654 -0.587 1.00 0.00 N ATOM 960 CZ ARG A 64 -9.294 13.938 -0.890 1.00 0.00 C ATOM 961 NH1 ARG A 64 -10.499 14.408 -1.068 1.00 0.00 N ATOM 962 NH2 ARG A 64 -8.262 14.727 -1.010 1.00 0.00 N ATOM 0 H ARG A 64 -7.362 7.794 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.681 8.897 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.527 11.174 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.622 11.533 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.271 9.853 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.201 9.724 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.882 12.070 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.675 11.410 0.057 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.240 12.360 -0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.306 13.791 -0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.633 15.392 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.320 14.360 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.397 15.711 -1.242 1.00 0.00 H new ATOM 976 N VAL A 65 -5.875 9.494 -4.542 1.00 0.00 N ATOM 977 CA VAL A 65 -5.101 9.850 -5.738 1.00 0.00 C ATOM 978 C VAL A 65 -5.757 9.260 -6.984 1.00 0.00 C ATOM 979 O VAL A 65 -6.934 9.502 -7.254 1.00 0.00 O ATOM 980 CB VAL A 65 -3.641 9.363 -5.618 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.774 10.034 -6.695 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.076 9.730 -4.240 1.00 0.00 C ATOM 0 H VAL A 65 -5.390 8.883 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.088 10.936 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.627 8.281 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.745 9.685 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.158 9.778 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.803 11.116 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.046 9.382 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.104 10.812 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.676 9.257 -3.463 1.00 0.00 H new ATOM 992 N ALA A 66 -4.987 8.504 -7.746 1.00 0.00 N ATOM 993 CA ALA A 66 -5.491 7.897 -8.973 1.00 0.00 C ATOM 994 C ALA A 66 -4.859 6.531 -9.213 1.00 0.00 C ATOM 995 O ALA A 66 -3.836 6.192 -8.615 1.00 0.00 O ATOM 996 CB ALA A 66 -5.186 8.821 -10.151 1.00 0.00 C ATOM 0 H ALA A 66 -4.010 8.294 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.568 7.757 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.560 8.373 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.671 9.784 -9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.109 8.966 -10.230 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.474 5.757 -10.105 1.00 0.00 N ATOM 1003 CA LYS A 67 -4.968 4.431 -10.439 1.00 0.00 C ATOM 1004 C LYS A 67 -3.742 4.565 -11.332 1.00 0.00 C ATOM 1005 O LYS A 67 -2.857 3.708 -11.331 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.051 3.614 -11.156 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.682 4.447 -12.279 1.00 0.00 C ATOM 1008 CD LYS A 67 -7.489 3.531 -13.206 1.00 0.00 C ATOM 1009 CE LYS A 67 -6.589 3.005 -14.327 1.00 0.00 C ATOM 1010 NZ LYS A 67 -7.257 1.856 -15.002 1.00 0.00 N ATOM 0 H LYS A 67 -6.320 6.026 -10.607 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.692 3.913 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.617 2.703 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.818 3.308 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.329 5.215 -11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.905 4.961 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.903 2.698 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.331 4.078 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.387 3.797 -15.048 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.627 2.692 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.646 1.498 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.428 1.098 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.164 2.169 -15.404 1.00 0.00 H new ATOM 1024 N SER A 68 -3.699 5.663 -12.082 1.00 0.00 N ATOM 1025 CA SER A 68 -2.581 5.935 -12.976 1.00 0.00 C ATOM 1026 C SER A 68 -1.398 6.466 -12.171 1.00 0.00 C ATOM 1027 O SER A 68 -0.265 6.504 -12.655 1.00 0.00 O ATOM 1028 CB SER A 68 -3.010 6.960 -14.032 1.00 0.00 C ATOM 1029 OG SER A 68 -1.900 7.769 -14.402 1.00 0.00 O ATOM 0 H SER A 68 -4.426 6.378 -12.087 1.00 0.00 H new ATOM 0 HA SER A 68 -2.279 5.015 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.406 6.448 -14.909 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.812 7.585 -13.639 1.00 0.00 H new ATOM 0 HG SER A 68 -2.181 8.421 -15.078 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.680 6.865 -10.933 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.653 7.390 -10.042 1.00 0.00 C ATOM 1037 C GLN A 69 -0.168 6.286 -9.107 1.00 0.00 C ATOM 1038 O GLN A 69 0.870 6.418 -8.467 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.228 8.538 -9.201 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.317 9.842 -10.014 1.00 0.00 C ATOM 1041 CD GLN A 69 -1.497 9.563 -11.505 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -2.552 9.092 -11.929 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -0.525 9.842 -12.330 1.00 0.00 N ATOM 0 H GLN A 69 -2.614 6.834 -10.525 1.00 0.00 H new ATOM 0 HA GLN A 69 0.179 7.757 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.219 8.265 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.601 8.697 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.152 10.441 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.412 10.430 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.348 10.232 -11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.639 9.670 -13.329 1.00 0.00 H new ATOM 1052 N VAL A 70 -0.938 5.200 -9.043 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.606 4.064 -8.194 1.00 0.00 C ATOM 1054 C VAL A 70 0.137 3.010 -9.005 1.00 0.00 C ATOM 1055 O VAL A 70 -0.470 2.238 -9.749 1.00 0.00 O ATOM 1056 CB VAL A 70 -1.892 3.474 -7.594 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -1.643 2.039 -7.114 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.338 4.336 -6.408 1.00 0.00 C ATOM 0 H VAL A 70 -1.801 5.086 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 70 0.041 4.396 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.669 3.462 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.562 1.632 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.328 1.423 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.863 2.040 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.250 3.921 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.554 4.347 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.528 5.354 -6.749 1.00 0.00 H new ATOM 1068 N VAL A 71 1.456 3.004 -8.871 1.00 0.00 N ATOM 1069 CA VAL A 71 2.293 2.054 -9.611 1.00 0.00 C ATOM 1070 C VAL A 71 2.856 0.965 -8.690 1.00 0.00 C ATOM 1071 O VAL A 71 3.561 1.255 -7.726 1.00 0.00 O ATOM 1072 CB VAL A 71 3.451 2.796 -10.294 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.829 2.072 -11.590 1.00 0.00 C ATOM 1074 CG2 VAL A 71 3.024 4.232 -10.621 1.00 0.00 C ATOM 0 H VAL A 71 1.972 3.639 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 71 1.666 1.575 -10.363 1.00 0.00 H new ATOM 0 HB VAL A 71 4.309 2.817 -9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.651 2.599 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.137 1.052 -11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.968 2.049 -12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.848 4.755 -11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.164 4.212 -11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.756 4.751 -9.700 1.00 0.00 H new ATOM 1084 N ILE A 72 2.542 -0.292 -9.014 1.00 0.00 N ATOM 1085 CA ILE A 72 3.014 -1.438 -8.237 1.00 0.00 C ATOM 1086 C ILE A 72 4.406 -1.850 -8.701 1.00 0.00 C ATOM 1087 O ILE A 72 4.565 -2.591 -9.673 1.00 0.00 O ATOM 1088 CB ILE A 72 2.042 -2.609 -8.397 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.631 -2.140 -8.019 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.469 -3.765 -7.482 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.385 -3.230 -8.371 1.00 0.00 C ATOM 0 H ILE A 72 1.960 -0.541 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 72 3.064 -1.156 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 72 2.049 -2.956 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.585 -1.916 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.389 -1.219 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.775 -4.597 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.474 -4.090 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.462 -3.430 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.386 -2.895 -8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.346 -3.432 -9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.147 -4.140 -7.821 1.00 0.00 H new ATOM 1103 N GLU A 73 5.406 -1.345 -7.999 1.00 0.00 N ATOM 1104 CA GLU A 73 6.801 -1.630 -8.323 1.00 0.00 C ATOM 1105 C GLU A 73 7.194 -3.064 -7.949 1.00 0.00 C ATOM 1106 O GLU A 73 8.317 -3.485 -8.228 1.00 0.00 O ATOM 1107 CB GLU A 73 7.708 -0.641 -7.579 1.00 0.00 C ATOM 1108 CG GLU A 73 7.907 0.620 -8.432 1.00 0.00 C ATOM 1109 CD GLU A 73 8.367 1.799 -7.568 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.527 1.619 -6.370 1.00 0.00 O ATOM 1111 OE2 GLU A 73 8.553 2.871 -8.122 1.00 0.00 O ATOM 0 H GLU A 73 5.280 -0.731 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 73 6.923 -1.522 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.264 -0.376 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.672 -1.105 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.645 0.425 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.974 0.875 -8.935 1.00 0.00 H new ATOM 1118 N LYS A 74 6.275 -3.810 -7.322 1.00 0.00 N ATOM 1119 CA LYS A 74 6.549 -5.188 -6.918 1.00 0.00 C ATOM 1120 C LYS A 74 5.482 -5.661 -5.940 1.00 0.00 C ATOM 1121 O LYS A 74 5.016 -4.896 -5.096 1.00 0.00 O ATOM 1122 CB LYS A 74 7.930 -5.298 -6.252 1.00 0.00 C ATOM 1123 CG LYS A 74 8.894 -6.049 -7.178 1.00 0.00 C ATOM 1124 CD LYS A 74 10.338 -5.682 -6.821 1.00 0.00 C ATOM 1125 CE LYS A 74 11.308 -6.476 -7.703 1.00 0.00 C ATOM 1126 NZ LYS A 74 10.938 -6.306 -9.138 1.00 0.00 N ATOM 0 H LYS A 74 5.339 -3.480 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 74 6.538 -5.814 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.320 -4.303 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.844 -5.821 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.746 -7.124 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.689 -5.793 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.497 -4.613 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.528 -5.897 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.329 -6.132 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.279 -7.532 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.737 -6.592 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.112 -6.899 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.707 -5.309 -9.321 1.00 0.00 H new ATOM 1140 N GLY A 75 5.101 -6.923 -6.067 1.00 0.00 N ATOM 1141 CA GLY A 75 4.084 -7.508 -5.200 1.00 0.00 C ATOM 1142 C GLY A 75 2.978 -8.143 -6.031 1.00 0.00 C ATOM 1143 O GLY A 75 2.171 -8.921 -5.519 1.00 0.00 O ATOM 0 H GLY A 75 5.481 -7.565 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.537 -8.259 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.664 -6.739 -4.551 1.00 0.00 H new ATOM 1147 N GLU A 76 2.952 -7.790 -7.314 1.00 0.00 N ATOM 1148 CA GLU A 76 1.946 -8.307 -8.249 1.00 0.00 C ATOM 1149 C GLU A 76 1.560 -9.760 -7.945 1.00 0.00 C ATOM 1150 O GLU A 76 0.392 -10.130 -8.072 1.00 0.00 O ATOM 1151 CB GLU A 76 2.478 -8.227 -9.684 1.00 0.00 C ATOM 1152 CG GLU A 76 3.088 -6.845 -9.940 1.00 0.00 C ATOM 1153 CD GLU A 76 3.215 -6.596 -11.441 1.00 0.00 C ATOM 1154 OE1 GLU A 76 3.934 -7.341 -12.087 1.00 0.00 O ATOM 1155 OE2 GLU A 76 2.592 -5.664 -11.923 1.00 0.00 O ATOM 0 H GLU A 76 3.619 -7.144 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 76 1.056 -7.688 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.229 -9.001 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.670 -8.414 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.464 -6.074 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.069 -6.779 -9.469 1.00 0.00 H new ATOM 1162 N LEU A 77 2.540 -10.584 -7.568 1.00 0.00 N ATOM 1163 CA LEU A 77 2.266 -11.995 -7.283 1.00 0.00 C ATOM 1164 C LEU A 77 2.892 -12.447 -5.961 1.00 0.00 C ATOM 1165 O LEU A 77 2.923 -13.643 -5.663 1.00 0.00 O ATOM 1166 CB LEU A 77 2.811 -12.860 -8.423 1.00 0.00 C ATOM 1167 CG LEU A 77 1.656 -13.325 -9.319 1.00 0.00 C ATOM 1168 CD1 LEU A 77 2.198 -13.702 -10.700 1.00 0.00 C ATOM 1169 CD2 LEU A 77 0.975 -14.546 -8.692 1.00 0.00 C ATOM 0 H LEU A 77 3.515 -10.306 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 77 1.186 -12.112 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.533 -12.292 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.339 -13.723 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 77 0.932 -12.516 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.376 -14.032 -11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.680 -12.834 -11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.924 -14.508 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.155 -14.874 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.700 -15.354 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.585 -14.281 -7.709 1.00 0.00 H new ATOM 1181 N GLY A 78 3.388 -11.497 -5.174 1.00 0.00 N ATOM 1182 CA GLY A 78 4.010 -11.825 -3.889 1.00 0.00 C ATOM 1183 C GLY A 78 3.336 -11.082 -2.736 1.00 0.00 C ATOM 1184 O GLY A 78 2.764 -10.009 -2.932 1.00 0.00 O ATOM 0 H GLY A 78 3.374 -10.502 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.948 -12.900 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.069 -11.568 -3.920 1.00 0.00 H new ATOM 1188 N ARG A 79 3.417 -11.658 -1.530 1.00 0.00 N ATOM 1189 CA ARG A 79 2.819 -11.035 -0.346 1.00 0.00 C ATOM 1190 C ARG A 79 3.362 -9.627 -0.168 1.00 0.00 C ATOM 1191 O ARG A 79 2.692 -8.756 0.383 1.00 0.00 O ATOM 1192 CB ARG A 79 3.137 -11.849 0.912 1.00 0.00 C ATOM 1193 CG ARG A 79 2.294 -13.129 0.930 1.00 0.00 C ATOM 1194 CD ARG A 79 3.205 -14.348 0.767 1.00 0.00 C ATOM 1195 NE ARG A 79 2.487 -15.564 1.131 1.00 0.00 N ATOM 1196 CZ ARG A 79 3.112 -16.595 1.692 1.00 0.00 C ATOM 1197 NH1 ARG A 79 3.948 -16.397 2.674 1.00 0.00 N ATOM 1198 NH2 ARG A 79 2.886 -17.807 1.263 1.00 0.00 N ATOM 0 H ARG A 79 3.886 -12.546 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 79 1.739 -11.002 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.197 -12.101 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.931 -11.255 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.741 -13.199 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.558 -13.103 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.552 -14.417 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.089 -14.237 1.395 1.00 0.00 H new ATOM 0 HE ARG A 79 1.485 -15.625 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.123 -15.451 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.427 -17.189 3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.230 -17.963 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.365 -18.598 1.693 1.00 0.00 H new ATOM 1212 N HIS A 80 4.580 -9.412 -0.652 1.00 0.00 N ATOM 1213 CA HIS A 80 5.209 -8.104 -0.556 1.00 0.00 C ATOM 1214 C HIS A 80 4.476 -7.131 -1.467 1.00 0.00 C ATOM 1215 O HIS A 80 3.754 -7.547 -2.372 1.00 0.00 O ATOM 1216 CB HIS A 80 6.687 -8.191 -0.964 1.00 0.00 C ATOM 1217 CG HIS A 80 7.186 -9.598 -0.766 1.00 0.00 C ATOM 1218 ND1 HIS A 80 7.067 -10.567 -1.750 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.790 -10.219 0.300 1.00 0.00 C ATOM 1220 CE1 HIS A 80 7.586 -11.708 -1.262 1.00 0.00 C ATOM 1221 NE2 HIS A 80 8.041 -11.551 -0.015 1.00 0.00 N ATOM 0 H HIS A 80 5.148 -10.124 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 80 5.156 -7.754 0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.804 -7.897 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.280 -7.497 -0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.033 -9.745 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.630 -12.637 -1.811 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.478 -12.256 0.578 1.00 0.00 H new ATOM 1229 N LYS A 81 4.647 -5.840 -1.219 1.00 0.00 N ATOM 1230 CA LYS A 81 3.977 -4.833 -2.022 1.00 0.00 C ATOM 1231 C LYS A 81 4.814 -3.568 -2.057 1.00 0.00 C ATOM 1232 O LYS A 81 5.349 -3.156 -1.035 1.00 0.00 O ATOM 1233 CB LYS A 81 2.588 -4.547 -1.422 1.00 0.00 C ATOM 1234 CG LYS A 81 2.362 -3.037 -1.289 1.00 0.00 C ATOM 1235 CD LYS A 81 0.982 -2.771 -0.688 1.00 0.00 C ATOM 1236 CE LYS A 81 0.807 -1.265 -0.495 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.593 -0.974 -0.075 1.00 0.00 N ATOM 0 H LYS A 81 5.239 -5.470 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 81 3.854 -5.195 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.815 -4.982 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.503 -5.021 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.135 -2.599 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.441 -2.561 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.204 -3.160 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.881 -3.287 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.506 -0.901 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.036 -0.740 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.585 -0.293 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.119 -0.572 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.053 -1.854 0.234 1.00 0.00 H new ATOM 1251 N GLN A 82 4.914 -2.953 -3.229 1.00 0.00 N ATOM 1252 CA GLN A 82 5.675 -1.719 -3.363 1.00 0.00 C ATOM 1253 C GLN A 82 4.936 -0.779 -4.300 1.00 0.00 C ATOM 1254 O GLN A 82 5.307 -0.613 -5.461 1.00 0.00 O ATOM 1255 CB GLN A 82 7.094 -1.991 -3.885 1.00 0.00 C ATOM 1256 CG GLN A 82 7.555 -3.391 -3.466 1.00 0.00 C ATOM 1257 CD GLN A 82 9.066 -3.515 -3.632 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.629 -3.023 -4.611 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.761 -4.148 -2.728 1.00 0.00 N ATOM 0 H GLN A 82 4.482 -3.285 -4.092 1.00 0.00 H new ATOM 0 HA GLN A 82 5.772 -1.258 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.112 -1.905 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.783 -1.242 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.278 -3.578 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.051 -4.145 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.294 -4.555 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.772 -4.236 -2.831 1.00 0.00 H new ATOM 1268 N ILE A 83 3.875 -0.172 -3.783 1.00 0.00 N ATOM 1269 CA ILE A 83 3.075 0.746 -4.577 1.00 0.00 C ATOM 1270 C ILE A 83 3.723 2.124 -4.586 1.00 0.00 C ATOM 1271 O ILE A 83 4.406 2.504 -3.639 1.00 0.00 O ATOM 1272 CB ILE A 83 1.658 0.837 -3.992 1.00 0.00 C ATOM 1273 CG1 ILE A 83 0.877 -0.437 -4.345 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.932 2.059 -4.568 1.00 0.00 C ATOM 1275 CD1 ILE A 83 -0.435 -0.479 -3.554 1.00 0.00 C ATOM 0 H ILE A 83 3.552 -0.299 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 83 3.016 0.376 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 83 1.723 0.938 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.668 -0.462 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.478 -1.317 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.072 2.117 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.484 2.964 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.867 1.966 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.985 -1.385 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.216 -0.475 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.039 0.394 -3.804 1.00 0.00 H new ATOM 1287 N LYS A 84 3.500 2.862 -5.663 1.00 0.00 N ATOM 1288 CA LYS A 84 4.060 4.202 -5.794 1.00 0.00 C ATOM 1289 C LYS A 84 2.940 5.207 -6.033 1.00 0.00 C ATOM 1290 O LYS A 84 2.176 5.070 -6.984 1.00 0.00 O ATOM 1291 CB LYS A 84 5.054 4.236 -6.959 1.00 0.00 C ATOM 1292 CG LYS A 84 6.008 5.425 -6.800 1.00 0.00 C ATOM 1293 CD LYS A 84 5.371 6.687 -7.395 1.00 0.00 C ATOM 1294 CE LYS A 84 5.324 7.793 -6.337 1.00 0.00 C ATOM 1295 NZ LYS A 84 6.702 8.058 -5.832 1.00 0.00 N ATOM 0 H LYS A 84 2.937 2.558 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 84 4.582 4.466 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.621 3.306 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.517 4.314 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.234 5.583 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.953 5.214 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.945 7.022 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.364 6.465 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.901 8.702 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.674 7.496 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.754 7.815 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.384 7.479 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.930 9.065 -5.958 1.00 0.00 H new ATOM 1309 N ILE A 85 2.845 6.208 -5.159 1.00 0.00 N ATOM 1310 CA ILE A 85 1.804 7.227 -5.279 1.00 0.00 C ATOM 1311 C ILE A 85 2.358 8.496 -5.925 1.00 0.00 C ATOM 1312 O ILE A 85 3.065 9.268 -5.278 1.00 0.00 O ATOM 1313 CB ILE A 85 1.241 7.576 -3.890 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.247 6.495 -3.448 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.511 8.925 -3.951 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.988 5.390 -2.693 1.00 0.00 C ATOM 0 H ILE A 85 3.472 6.335 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 85 1.010 6.824 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 85 2.065 7.633 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.521 6.933 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.261 6.077 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.114 9.169 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.208 9.702 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.308 8.863 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.278 4.624 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.739 4.945 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.475 5.813 -1.815 1.00 0.00 H new ATOM 1328 N ILE A 86 2.021 8.713 -7.192 1.00 0.00 N ATOM 1329 CA ILE A 86 2.479 9.906 -7.899 1.00 0.00 C ATOM 1330 C ILE A 86 1.502 11.053 -7.671 1.00 0.00 C ATOM 1331 O ILE A 86 0.306 10.828 -7.484 1.00 0.00 O ATOM 1332 CB ILE A 86 2.595 9.628 -9.399 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.422 8.354 -9.621 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.276 10.820 -10.083 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.485 8.027 -11.115 1.00 0.00 C ATOM 0 H ILE A 86 1.438 8.086 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 86 3.460 10.181 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 86 1.602 9.487 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.429 8.491 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.977 7.522 -9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.361 10.626 -11.152 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.681 11.719 -9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.270 10.963 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.073 7.122 -11.265 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.476 7.871 -11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.951 8.855 -11.649 1.00 0.00 H new ATOM 1347 N ASN A 87 2.016 12.283 -7.684 1.00 0.00 N ATOM 1348 CA ASN A 87 1.173 13.458 -7.472 1.00 0.00 C ATOM 1349 C ASN A 87 0.201 13.207 -6.315 1.00 0.00 C ATOM 1350 O ASN A 87 -1.014 13.348 -6.469 1.00 0.00 O ATOM 1351 CB ASN A 87 0.394 13.778 -8.756 1.00 0.00 C ATOM 1352 CG ASN A 87 -0.287 15.145 -8.652 1.00 0.00 C ATOM 1353 OD1 ASN A 87 -0.789 15.661 -9.649 1.00 0.00 O ATOM 1354 ND2 ASN A 87 -0.335 15.766 -7.503 1.00 0.00 N ATOM 0 H ASN A 87 3.003 12.490 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 87 1.806 14.309 -7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.072 13.768 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.355 13.006 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.788 16.677 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.081 15.339 -6.675 1.00 0.00 H new ATOM 1361 N PRO A 88 0.717 12.828 -5.170 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.110 12.536 -3.964 1.00 0.00 C ATOM 1363 C PRO A 88 -1.181 13.598 -3.728 1.00 0.00 C ATOM 1364 O PRO A 88 -0.972 14.779 -4.012 1.00 0.00 O ATOM 1365 CB PRO A 88 0.895 12.507 -2.801 1.00 0.00 C ATOM 1366 CG PRO A 88 2.249 12.791 -3.384 1.00 0.00 C ATOM 1367 CD PRO A 88 2.144 12.632 -4.899 1.00 0.00 C ATOM 0 HA PRO A 88 -0.655 11.598 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.635 13.251 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.884 11.536 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.572 13.800 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.992 12.105 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.756 13.367 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.482 11.648 -5.223 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.327 13.165 -3.210 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.435 14.077 -2.940 1.00 0.00 C ATOM 1377 C GLN A 89 -3.810 14.039 -1.463 1.00 0.00 C ATOM 1378 O GLN A 89 -4.133 15.068 -0.866 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.651 13.687 -3.785 1.00 0.00 C ATOM 1380 CG GLN A 89 -4.313 13.820 -5.273 1.00 0.00 C ATOM 1381 CD GLN A 89 -4.443 15.275 -5.713 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -3.574 15.792 -6.414 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -5.483 15.970 -5.339 1.00 0.00 N ATOM 0 H GLN A 89 -2.513 12.191 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.120 15.088 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.948 12.663 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.498 14.326 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.299 13.466 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.981 13.193 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.202 15.539 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.576 16.944 -5.628 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.762 12.844 -0.882 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.094 12.670 0.524 1.00 0.00 C ATOM 1394 C GLN A 90 -3.196 11.604 1.146 1.00 0.00 C ATOM 1395 O GLN A 90 -3.220 10.442 0.740 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.570 12.269 0.664 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.827 11.671 2.050 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.324 11.669 2.346 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.800 12.470 3.151 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.099 10.812 1.738 1.00 0.00 N ATOM 0 H GLN A 90 -3.497 11.985 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.932 13.612 1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.207 13.140 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.832 11.544 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.437 10.654 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.298 12.248 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.703 10.149 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.101 10.805 1.929 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.404 12.016 2.131 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.494 11.101 2.816 1.00 0.00 C ATOM 1411 C ILE A 91 -1.958 10.873 4.258 1.00 0.00 C ATOM 1412 O ILE A 91 -1.994 11.806 5.060 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.063 11.667 2.808 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.821 10.835 3.750 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.066 13.130 3.273 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.277 10.885 3.279 1.00 0.00 C ATOM 0 H ILE A 91 -2.373 12.976 2.473 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.499 10.147 2.289 1.00 0.00 H new ATOM 0 HB ILE A 91 0.330 11.619 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.745 11.219 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.472 9.803 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.953 13.517 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.687 13.724 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.466 13.189 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.898 10.293 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.347 10.480 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.624 11.918 3.280 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.312 9.655 4.598 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.780 9.315 5.970 1.00 0.00 C ATOM 1430 C PRO A 92 -1.669 9.497 7.010 1.00 0.00 C ATOM 1431 O PRO A 92 -0.485 9.366 6.692 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.222 7.846 5.893 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.004 7.379 4.486 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.300 8.489 3.706 1.00 0.00 C ATOM 0 HA PRO A 92 -3.590 9.972 6.286 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.649 7.237 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.271 7.747 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.401 6.471 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.957 7.133 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.281 8.202 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.818 8.703 2.771 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.033 9.805 8.233 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.053 10.020 9.338 1.00 0.00 C ATOM 1444 C PRO A 93 -0.067 8.863 9.460 1.00 0.00 C ATOM 1445 O PRO A 93 1.100 9.060 9.793 1.00 0.00 O ATOM 1446 CB PRO A 93 -1.904 10.123 10.612 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.337 9.953 10.211 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.416 9.981 8.684 1.00 0.00 C ATOM 0 HA PRO A 93 -0.451 10.911 9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.613 9.356 11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.753 11.088 11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.729 9.011 10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.947 10.749 10.637 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.059 9.186 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.831 10.923 8.327 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.562 7.659 9.195 1.00 0.00 N ATOM 1457 CA GLU A 94 0.251 6.450 9.276 1.00 0.00 C ATOM 1458 C GLU A 94 1.609 6.647 8.608 1.00 0.00 C ATOM 1459 O GLU A 94 2.654 6.484 9.241 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.484 5.301 8.587 1.00 0.00 C ATOM 1461 CG GLU A 94 -1.587 4.760 9.506 1.00 0.00 C ATOM 1462 CD GLU A 94 -2.812 5.674 9.470 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -2.860 6.599 10.264 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -3.685 5.432 8.653 1.00 0.00 O ATOM 0 H GLU A 94 -1.530 7.493 8.920 1.00 0.00 H new ATOM 0 HA GLU A 94 0.416 6.221 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.918 5.646 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.218 4.505 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.868 3.754 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.213 4.684 10.527 1.00 0.00 H new ATOM 1471 N VAL A 95 1.582 6.992 7.327 1.00 0.00 N ATOM 1472 CA VAL A 95 2.812 7.204 6.573 1.00 0.00 C ATOM 1473 C VAL A 95 3.415 8.561 6.918 1.00 0.00 C ATOM 1474 O VAL A 95 4.605 8.801 6.698 1.00 0.00 O ATOM 1475 CB VAL A 95 2.522 7.132 5.070 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.825 6.871 4.307 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.528 5.998 4.791 1.00 0.00 C ATOM 0 H VAL A 95 0.726 7.131 6.790 1.00 0.00 H new ATOM 0 HA VAL A 95 3.525 6.423 6.839 1.00 0.00 H new ATOM 0 HB VAL A 95 2.093 8.078 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.617 6.820 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.529 7.680 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.257 5.927 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.323 5.949 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.954 5.051 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.600 6.187 5.330 1.00 0.00 H new ATOM 1487 N ALA A 96 2.582 9.442 7.462 1.00 0.00 N ATOM 1488 CA ALA A 96 3.031 10.779 7.839 1.00 0.00 C ATOM 1489 C ALA A 96 3.875 10.732 9.111 1.00 0.00 C ATOM 1490 O ALA A 96 4.769 11.550 9.298 1.00 0.00 O ATOM 1491 CB ALA A 96 1.824 11.695 8.058 1.00 0.00 C ATOM 0 H ALA A 96 1.597 9.257 7.651 1.00 0.00 H new ATOM 0 HA ALA A 96 3.645 11.172 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.169 12.690 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.244 11.758 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.199 11.289 8.854 1.00 0.00 H new ATOM 1497 N ALA A 97 3.582 9.775 9.986 1.00 0.00 N ATOM 1498 CA ALA A 97 4.319 9.639 11.243 1.00 0.00 C ATOM 1499 C ALA A 97 5.820 9.489 10.991 1.00 0.00 C ATOM 1500 O ALA A 97 6.636 9.771 11.871 1.00 0.00 O ATOM 1501 CB ALA A 97 3.807 8.420 12.014 1.00 0.00 C ATOM 0 H ALA A 97 2.844 9.084 9.851 1.00 0.00 H new ATOM 0 HA ALA A 97 4.157 10.543 11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.359 8.323 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.746 8.545 12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.951 7.522 11.413 1.00 0.00 H new ATOM 1507 N LEU A 98 6.176 9.037 9.789 1.00 0.00 N ATOM 1508 CA LEU A 98 7.581 8.841 9.432 1.00 0.00 C ATOM 1509 C LEU A 98 8.107 10.010 8.598 1.00 0.00 C ATOM 1510 O LEU A 98 9.318 10.175 8.443 1.00 0.00 O ATOM 1511 CB LEU A 98 7.733 7.539 8.634 1.00 0.00 C ATOM 1512 CG LEU A 98 7.933 6.350 9.585 1.00 0.00 C ATOM 1513 CD1 LEU A 98 9.311 6.440 10.250 1.00 0.00 C ATOM 1514 CD2 LEU A 98 6.844 6.356 10.665 1.00 0.00 C ATOM 0 H LEU A 98 5.515 8.801 9.049 1.00 0.00 H new ATOM 0 HA LEU A 98 8.161 8.785 10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.848 7.376 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.583 7.618 7.956 1.00 0.00 H new ATOM 0 HG LEU A 98 7.868 5.425 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.446 5.593 10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.086 6.422 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.382 7.369 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.992 5.510 11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.901 7.284 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.864 6.278 10.194 1.00 0.00 H new ATOM 1526 N ILE A 99 7.192 10.809 8.055 1.00 0.00 N ATOM 1527 CA ILE A 99 7.574 11.953 7.226 1.00 0.00 C ATOM 1528 C ILE A 99 7.406 13.265 7.990 1.00 0.00 C ATOM 1529 O ILE A 99 8.188 14.201 7.815 1.00 0.00 O ATOM 1530 CB ILE A 99 6.712 11.977 5.957 1.00 0.00 C ATOM 1531 CG1 ILE A 99 7.094 10.791 5.061 1.00 0.00 C ATOM 1532 CG2 ILE A 99 6.942 13.288 5.194 1.00 0.00 C ATOM 1533 CD1 ILE A 99 6.041 10.615 3.964 1.00 0.00 C ATOM 0 H ILE A 99 6.186 10.688 8.172 1.00 0.00 H new ATOM 0 HA ILE A 99 8.625 11.848 6.956 1.00 0.00 H new ATOM 0 HB ILE A 99 5.661 11.905 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.074 10.961 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.168 9.881 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.327 13.298 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.670 14.131 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.993 13.368 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.314 9.772 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.069 10.426 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.989 11.522 3.361 1.00 0.00 H new ATOM 1545 N ASN A 100 6.376 13.327 8.826 1.00 0.00 N ATOM 1546 CA ASN A 100 6.095 14.527 9.608 1.00 0.00 C ATOM 1547 C ASN A 100 6.943 14.574 10.877 1.00 0.00 C ATOM 1548 O ASN A 100 6.975 15.592 11.569 1.00 0.00 O ATOM 1549 CB ASN A 100 4.612 14.557 9.988 1.00 0.00 C ATOM 1550 CG ASN A 100 3.767 15.008 8.800 1.00 0.00 C ATOM 1551 OD1 ASN A 100 4.142 14.790 7.647 1.00 0.00 O ATOM 1552 ND2 ASN A 100 2.638 15.626 9.016 1.00 0.00 N ATOM 0 H ASN A 100 5.721 12.561 8.980 1.00 0.00 H new ATOM 0 HA ASN A 100 6.343 15.395 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.294 13.567 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.459 15.234 10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.064 15.930 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.329 15.805 9.972 1.00 0.00 H new ATOM 1559 N LEU A 101 7.623 13.468 11.179 1.00 0.00 N ATOM 1560 CA LEU A 101 8.467 13.392 12.371 1.00 0.00 C ATOM 1561 C LEU A 101 7.715 13.915 13.593 1.00 0.00 C ATOM 1562 O LEU A 101 7.864 15.075 13.982 1.00 0.00 O ATOM 1563 CB LEU A 101 9.754 14.199 12.164 1.00 0.00 C ATOM 1564 CG LEU A 101 10.840 13.688 13.119 1.00 0.00 C ATOM 1565 CD1 LEU A 101 11.609 12.540 12.460 1.00 0.00 C ATOM 1566 CD2 LEU A 101 11.812 14.826 13.447 1.00 0.00 C ATOM 0 H LEU A 101 7.606 12.616 10.618 1.00 0.00 H new ATOM 0 HA LEU A 101 8.728 12.347 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.091 14.107 11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.565 15.257 12.345 1.00 0.00 H new ATOM 0 HG LEU A 101 10.371 13.332 14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.380 12.180 13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.921 11.727 12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.075 12.895 11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.583 14.462 14.126 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.277 15.184 12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.269 15.643 13.921 1.00 0.00 H new ATOM 1578 N GLU A 102 6.903 13.049 14.189 1.00 0.00 N ATOM 1579 CA GLU A 102 6.123 13.425 15.366 1.00 0.00 C ATOM 1580 C GLU A 102 7.040 13.722 16.550 1.00 0.00 C ATOM 1581 O GLU A 102 6.575 14.081 17.633 1.00 0.00 O ATOM 1582 CB GLU A 102 5.156 12.294 15.738 1.00 0.00 C ATOM 1583 CG GLU A 102 4.465 11.758 14.479 1.00 0.00 C ATOM 1584 CD GLU A 102 3.730 12.886 13.759 1.00 0.00 C ATOM 1585 OE1 GLU A 102 2.782 13.406 14.324 1.00 0.00 O ATOM 1586 OE2 GLU A 102 4.128 13.213 12.654 1.00 0.00 O ATOM 0 H GLU A 102 6.767 12.087 13.880 1.00 0.00 H new ATOM 0 HA GLU A 102 5.556 14.325 15.127 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.698 11.490 16.235 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.410 12.660 16.444 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.203 11.312 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.762 10.970 14.749 1.00 0.00 H new ATOM 1593 N HIS A 103 8.344 13.570 16.335 1.00 0.00 N ATOM 1594 CA HIS A 103 9.323 13.823 17.385 1.00 0.00 C ATOM 1595 C HIS A 103 9.810 15.268 17.329 1.00 0.00 C ATOM 1596 O HIS A 103 9.759 15.912 16.278 1.00 0.00 O ATOM 1597 CB HIS A 103 10.508 12.867 17.224 1.00 0.00 C ATOM 1598 CG HIS A 103 10.247 11.602 17.997 1.00 0.00 C ATOM 1599 ND1 HIS A 103 11.166 11.083 18.895 1.00 0.00 N ATOM 1600 CD2 HIS A 103 9.177 10.739 18.016 1.00 0.00 C ATOM 1601 CE1 HIS A 103 10.639 9.958 19.412 1.00 0.00 C ATOM 1602 NE2 HIS A 103 9.428 9.702 18.911 1.00 0.00 N ATOM 0 H HIS A 103 8.745 13.274 15.445 1.00 0.00 H new ATOM 0 HA HIS A 103 8.850 13.656 18.353 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.661 12.636 16.170 1.00 0.00 H new ATOM 0 HB3 HIS A 103 11.422 13.341 17.582 1.00 0.00 H new ATOM 0 HD2 HIS A 103 8.279 10.849 17.427 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.135 9.337 20.143 1.00 0.00 H new ATOM 0 HE2 HIS A 103 8.818 8.916 19.136 1.00 0.00 H new ATOM 1610 N HIS A 104 10.277 15.769 18.469 1.00 0.00 N ATOM 1611 CA HIS A 104 10.771 17.141 18.556 1.00 0.00 C ATOM 1612 C HIS A 104 11.967 17.211 19.499 1.00 0.00 C ATOM 1613 O HIS A 104 12.101 16.392 20.410 1.00 0.00 O ATOM 1614 CB HIS A 104 9.661 18.072 19.058 1.00 0.00 C ATOM 1615 CG HIS A 104 8.837 17.364 20.101 1.00 0.00 C ATOM 1616 ND1 HIS A 104 7.801 16.504 19.768 1.00 0.00 N ATOM 1617 CD2 HIS A 104 8.885 17.379 21.473 1.00 0.00 C ATOM 1618 CE1 HIS A 104 7.274 16.041 20.917 1.00 0.00 C ATOM 1619 NE2 HIS A 104 7.898 16.543 21.986 1.00 0.00 N ATOM 0 H HIS A 104 10.324 15.247 19.344 1.00 0.00 H new ATOM 0 HA HIS A 104 11.082 17.462 17.562 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.096 18.979 19.478 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.027 18.379 18.226 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.583 17.953 22.065 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.447 15.348 20.968 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.695 16.354 22.968 1.00 0.00 H new ATOM 1627 N HIS A 105 12.836 18.192 19.271 1.00 0.00 N ATOM 1628 CA HIS A 105 14.024 18.360 20.102 1.00 0.00 C ATOM 1629 C HIS A 105 14.428 19.833 20.168 1.00 0.00 C ATOM 1630 O HIS A 105 15.554 20.197 19.825 1.00 0.00 O ATOM 1631 CB HIS A 105 15.182 17.520 19.541 1.00 0.00 C ATOM 1632 CG HIS A 105 15.198 17.598 18.035 1.00 0.00 C ATOM 1633 ND1 HIS A 105 16.227 18.211 17.337 1.00 0.00 N ATOM 1634 CD2 HIS A 105 14.321 17.139 17.081 1.00 0.00 C ATOM 1635 CE1 HIS A 105 15.946 18.106 16.025 1.00 0.00 C ATOM 1636 NE2 HIS A 105 14.795 17.461 15.814 1.00 0.00 N ATOM 0 H HIS A 105 12.741 18.879 18.523 1.00 0.00 H new ATOM 0 HA HIS A 105 13.793 18.018 21.111 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.130 17.880 19.941 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.076 16.483 19.858 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.403 16.608 17.285 1.00 0.00 H new ATOM 0 HE1 HIS A 105 16.575 18.496 15.238 1.00 0.00 H new ATOM 0 HE2 HIS A 105 14.358 17.250 14.917 1.00 0.00 H new ATOM 1644 N HIS A 106 13.494 20.674 20.616 1.00 0.00 N ATOM 1645 CA HIS A 106 13.741 22.113 20.733 1.00 0.00 C ATOM 1646 C HIS A 106 14.470 22.648 19.499 1.00 0.00 C ATOM 1647 O HIS A 106 15.312 23.540 19.601 1.00 0.00 O ATOM 1648 CB HIS A 106 14.570 22.406 21.991 1.00 0.00 C ATOM 1649 CG HIS A 106 14.383 23.846 22.402 1.00 0.00 C ATOM 1650 ND1 HIS A 106 14.863 24.337 23.606 1.00 0.00 N ATOM 1651 CD2 HIS A 106 13.772 24.909 21.782 1.00 0.00 C ATOM 1652 CE1 HIS A 106 14.537 25.641 23.672 1.00 0.00 C ATOM 1653 NE2 HIS A 106 13.871 26.040 22.586 1.00 0.00 N ATOM 0 H HIS A 106 12.559 20.384 20.904 1.00 0.00 H new ATOM 0 HA HIS A 106 12.777 22.615 20.809 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.264 21.744 22.801 1.00 0.00 H new ATOM 0 HB3 HIS A 106 15.624 22.207 21.798 1.00 0.00 H new ATOM 0 HD2 HIS A 106 13.288 24.872 20.817 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.784 26.286 24.502 1.00 0.00 H new ATOM 0 HE2 HIS A 106 13.512 26.974 22.388 1.00 0.00 H new ATOM 1661 N HIS A 107 14.139 22.096 18.336 1.00 0.00 N ATOM 1662 CA HIS A 107 14.767 22.527 17.092 1.00 0.00 C ATOM 1663 C HIS A 107 14.084 23.781 16.556 1.00 0.00 C ATOM 1664 O HIS A 107 12.888 23.986 16.772 1.00 0.00 O ATOM 1665 CB HIS A 107 14.687 21.411 16.049 1.00 0.00 C ATOM 1666 CG HIS A 107 15.753 21.622 15.007 1.00 0.00 C ATOM 1667 ND1 HIS A 107 17.089 21.790 15.340 1.00 0.00 N ATOM 1668 CD2 HIS A 107 15.695 21.698 13.639 1.00 0.00 C ATOM 1669 CE1 HIS A 107 17.773 21.957 14.194 1.00 0.00 C ATOM 1670 NE2 HIS A 107 16.971 21.910 13.127 1.00 0.00 N ATOM 0 H HIS A 107 13.446 21.356 18.229 1.00 0.00 H new ATOM 0 HA HIS A 107 15.813 22.755 17.295 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.818 20.441 16.528 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.702 21.405 15.582 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.795 21.607 13.049 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.841 22.110 14.143 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.237 22.008 12.147 1.00 0.00 H new ATOM 1678 N HIS A 108 14.852 24.613 15.859 1.00 0.00 N ATOM 1679 CA HIS A 108 14.319 25.848 15.291 1.00 0.00 C ATOM 1680 C HIS A 108 14.021 25.671 13.805 1.00 0.00 C ATOM 1681 CB HIS A 108 15.322 26.990 15.486 1.00 0.00 C ATOM 1682 CG HIS A 108 16.644 26.615 14.870 1.00 0.00 C ATOM 1683 ND1 HIS A 108 17.651 26.003 15.600 1.00 0.00 N ATOM 1684 CD2 HIS A 108 17.137 26.753 13.596 1.00 0.00 C ATOM 1685 CE1 HIS A 108 18.688 25.797 14.767 1.00 0.00 C ATOM 1686 NE2 HIS A 108 18.427 26.236 13.533 1.00 0.00 N ATOM 0 H HIS A 108 15.843 24.456 15.674 1.00 0.00 H new ATOM 0 HA HIS A 108 13.390 26.092 15.807 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.942 27.903 15.027 1.00 0.00 H new ATOM 0 HB3 HIS A 108 15.450 27.197 16.548 1.00 0.00 H new ATOM 0 HD2 HIS A 108 16.604 27.196 12.768 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.618 25.333 15.061 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.041 26.200 12.719 1.00 0.00 H new TER 1694 HIS A 108