USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 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 NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 8 LYS NZ :NH3+ 162:sc= -2.72! (180deg=-3.28!) USER MOD Set 1.2: A 12 GLN : amide:sc= -0.482 K(o=-3.2,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= -2.85! (180deg=-2.89!) USER MOD Single : A 16 GLN : amide:sc= -0.252 X(o=-0.25,f=0.022) USER MOD Single : A 18 HIS : no HE2:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 19 THR OG1 : rot -125:sc= -4.28! USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -3.66! (180deg=-8.29!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.324 K(o=0.32,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0873 (180deg=-0.755) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 31 ASN : amide:sc= -5.02! C(o=-5!,f=-9.3!) USER MOD Single : A 33 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -4.67! (180deg=-8.49!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -4.86! USER MOD Single : A 42 GLN : amide:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 52 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.96) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -3.59! (180deg=-8.79!) USER MOD Single : A 54 ASN : amide:sc= -8.72! C(o=-8.7!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 66:sc= 0.165 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 155:sc= -3.56! (180deg=-5.13!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0324 (180deg=-0.0324) USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= -0.461 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.89! USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= -0.0157 (180deg=-0.159) USER MOD Single : A 80 MET CE :methyl -129:sc= -11! (180deg=-15.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0.185 (180deg=0.181) USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= -1.78 (180deg=-4.36!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -7.36! C(o=-7.4!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.703 4.161 -1.246 1.00 0.00 N ATOM 2 CA GLY A 1 -17.322 4.205 -0.691 1.00 0.00 C ATOM 3 C GLY A 1 -16.809 5.623 -0.522 1.00 0.00 C ATOM 4 O GLY A 1 -16.698 6.369 -1.492 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.007 3.171 -1.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.351 4.661 -0.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.717 4.620 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.305 3.699 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.651 3.655 -1.351 1.00 0.00 H new ATOM 10 N ASP A 2 -16.496 5.992 0.718 1.00 0.00 N ATOM 11 CA ASP A 2 -15.993 7.329 1.011 1.00 0.00 C ATOM 12 C ASP A 2 -14.552 7.270 1.505 1.00 0.00 C ATOM 13 O ASP A 2 -14.095 6.237 1.998 1.00 0.00 O ATOM 14 CB ASP A 2 -16.876 8.009 2.058 1.00 0.00 C ATOM 15 CG ASP A 2 -18.355 7.792 1.798 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.706 7.381 0.671 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.170 7.996 2.794 1.00 0.00 O ATOM 0 H ASP A 2 -16.582 5.385 1.533 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.019 7.911 0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.624 7.625 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.665 9.078 2.068 1.00 0.00 H new ATOM 22 N VAL A 3 -13.850 8.386 1.371 1.00 0.00 N ATOM 23 CA VAL A 3 -12.449 8.460 1.804 1.00 0.00 C ATOM 24 C VAL A 3 -12.340 8.220 3.383 1.00 0.00 C ATOM 25 O VAL A 3 -11.437 7.530 3.856 1.00 0.00 O ATOM 26 CB VAL A 3 -11.817 9.813 1.432 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.777 10.219 2.465 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.204 9.751 0.042 1.00 0.00 C ATOM 0 H VAL A 3 -14.217 9.249 0.970 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.899 7.675 1.284 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.601 10.570 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.341 11.178 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.251 10.307 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.993 9.463 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.762 10.716 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.432 8.982 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.978 9.510 -0.687 1.00 0.00 H new ATOM 38 N GLU A 4 -13.258 8.823 4.132 1.00 0.00 N ATOM 39 CA GLU A 4 -13.256 8.704 5.586 1.00 0.00 C ATOM 40 C GLU A 4 -13.374 7.244 6.010 1.00 0.00 C ATOM 41 O GLU A 4 -12.639 6.780 6.883 1.00 0.00 O ATOM 42 CB GLU A 4 -14.404 9.518 6.187 1.00 0.00 C ATOM 43 CG GLU A 4 -14.542 9.354 7.691 1.00 0.00 C ATOM 44 CD GLU A 4 -15.879 9.847 8.211 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.657 9.012 8.727 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.146 11.063 8.096 1.00 0.00 O ATOM 0 H GLU A 4 -14.012 9.398 3.757 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.310 9.097 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.250 10.572 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.338 9.221 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.421 8.302 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.740 9.900 8.187 1.00 0.00 H new ATOM 53 N LYS A 5 -14.300 6.524 5.385 1.00 0.00 N ATOM 54 CA LYS A 5 -14.511 5.117 5.699 1.00 0.00 C ATOM 55 C LYS A 5 -13.286 4.289 5.327 1.00 0.00 C ATOM 56 O LYS A 5 -12.917 3.353 6.037 1.00 0.00 O ATOM 57 CB LYS A 5 -15.742 4.589 4.957 1.00 0.00 C ATOM 58 CG LYS A 5 -16.999 5.405 5.207 1.00 0.00 C ATOM 59 CD LYS A 5 -18.206 4.513 5.450 1.00 0.00 C ATOM 60 CE LYS A 5 -19.082 4.400 4.206 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.174 2.991 3.729 1.00 0.00 N ATOM 0 H LYS A 5 -14.915 6.892 4.659 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.675 5.028 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.534 4.577 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.923 3.557 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.846 6.055 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.190 6.052 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.871 3.520 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.795 4.914 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.081 4.776 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.674 5.028 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.777 2.950 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.223 2.641 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.587 2.398 4.477 1.00 0.00 H new ATOM 75 N GLY A 6 -12.659 4.643 4.210 1.00 0.00 N ATOM 76 CA GLY A 6 -11.481 3.924 3.762 1.00 0.00 C ATOM 77 C GLY A 6 -10.330 4.038 4.732 1.00 0.00 C ATOM 78 O GLY A 6 -9.626 3.064 4.989 1.00 0.00 O ATOM 0 H GLY A 6 -12.945 5.415 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.732 2.872 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.172 4.309 2.790 1.00 0.00 H new ATOM 82 N LYS A 7 -10.094 5.210 5.206 1.00 0.00 N ATOM 83 CA LYS A 7 -9.009 5.452 6.137 1.00 0.00 C ATOM 84 C LYS A 7 -9.113 4.533 7.352 1.00 0.00 C ATOM 85 O LYS A 7 -8.118 3.962 7.797 1.00 0.00 O ATOM 86 CB LYS A 7 -9.001 6.916 6.583 1.00 0.00 C ATOM 87 CG LYS A 7 -8.294 7.144 7.909 1.00 0.00 C ATOM 88 CD LYS A 7 -9.255 7.655 8.970 1.00 0.00 C ATOM 89 CE LYS A 7 -8.690 8.869 9.691 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.255 10.142 9.161 1.00 0.00 N ATOM 0 H LYS A 7 -10.638 6.040 4.970 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.072 5.235 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.517 7.519 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.029 7.268 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.840 6.212 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.485 7.862 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.206 7.915 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.458 6.863 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.906 8.792 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.605 8.882 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.845 10.946 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.027 10.229 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.288 10.141 9.284 1.00 0.00 H new ATOM 104 N LYS A 8 -10.199 4.462 7.981 1.00 0.00 N ATOM 105 CA LYS A 8 -10.571 3.604 9.102 1.00 0.00 C ATOM 106 C LYS A 8 -10.345 2.135 8.763 1.00 0.00 C ATOM 107 O LYS A 8 -9.875 1.357 9.597 1.00 0.00 O ATOM 108 CB LYS A 8 -12.035 3.832 9.480 1.00 0.00 C ATOM 109 CG LYS A 8 -12.719 2.593 10.037 1.00 0.00 C ATOM 110 CD LYS A 8 -13.448 1.822 8.948 1.00 0.00 C ATOM 111 CE LYS A 8 -13.857 0.438 9.425 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.796 -0.574 9.162 1.00 0.00 N ATOM 0 H LYS A 8 -10.977 5.067 7.719 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.938 3.863 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.091 4.631 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.580 4.173 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.978 1.947 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.426 2.885 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.333 2.377 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.805 1.731 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.072 0.470 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.777 0.138 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.963 -1.413 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.818 -0.847 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.866 -0.169 9.390 1.00 0.00 H new ATOM 126 N ILE A 9 -10.675 1.759 7.532 1.00 0.00 N ATOM 127 CA ILE A 9 -10.506 0.384 7.084 1.00 0.00 C ATOM 128 C ILE A 9 -9.040 -0.022 7.133 1.00 0.00 C ATOM 129 O ILE A 9 -8.709 -1.111 7.604 1.00 0.00 O ATOM 130 CB ILE A 9 -11.034 0.187 5.652 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.535 -0.108 5.673 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.278 -0.935 4.958 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.149 -0.218 4.295 1.00 0.00 C ATOM 0 H ILE A 9 -11.061 2.388 6.828 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.084 -0.246 7.761 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.872 1.108 5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.706 -1.039 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.044 0.681 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.663 -1.062 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.218 -0.686 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.410 -1.862 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.215 -0.428 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.009 0.720 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.666 -1.026 3.745 1.00 0.00 H new ATOM 145 N PHE A 10 -8.172 0.857 6.640 1.00 0.00 N ATOM 146 CA PHE A 10 -6.734 0.606 6.628 1.00 0.00 C ATOM 147 C PHE A 10 -6.178 0.533 8.045 1.00 0.00 C ATOM 148 O PHE A 10 -5.273 -0.253 8.334 1.00 0.00 O ATOM 149 CB PHE A 10 -6.012 1.704 5.847 1.00 0.00 C ATOM 150 CG PHE A 10 -4.605 1.946 6.316 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.530 1.721 5.472 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.358 2.400 7.604 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.234 1.943 5.902 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.065 2.622 8.039 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.002 2.393 7.187 1.00 0.00 C ATOM 0 H PHE A 10 -8.442 1.756 6.241 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.565 -0.354 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.993 1.436 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.579 2.631 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.706 1.368 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.185 2.582 8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.405 1.765 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.886 2.974 9.044 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.991 2.566 7.525 1.00 0.00 H new ATOM 165 N VAL A 11 -6.712 1.374 8.919 1.00 0.00 N ATOM 166 CA VAL A 11 -6.255 1.429 10.300 1.00 0.00 C ATOM 167 C VAL A 11 -6.244 0.050 10.952 1.00 0.00 C ATOM 168 O VAL A 11 -5.245 -0.341 11.557 1.00 0.00 O ATOM 169 CB VAL A 11 -7.140 2.368 11.143 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.798 2.241 12.620 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.987 3.809 10.674 1.00 0.00 C ATOM 0 H VAL A 11 -7.462 2.028 8.696 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.236 1.814 10.270 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.181 2.075 11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.433 2.911 13.199 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.963 1.214 12.945 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.752 2.507 12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.619 4.458 11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.946 4.117 10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.286 3.885 9.629 1.00 0.00 H new ATOM 181 N GLN A 12 -7.379 -0.770 10.779 1.00 0.00 N ATOM 182 CA GLN A 12 -7.534 -2.136 11.409 1.00 0.00 C ATOM 183 C GLN A 12 -6.919 -3.125 10.431 1.00 0.00 C ATOM 184 O GLN A 12 -5.915 -3.787 10.696 1.00 0.00 O ATOM 185 CB GLN A 12 -8.979 -2.527 11.726 1.00 0.00 C ATOM 186 CG GLN A 12 -9.968 -1.382 11.575 1.00 0.00 C ATOM 187 CD GLN A 12 -11.009 -1.363 12.676 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.800 -1.921 13.754 1.00 0.00 O ATOM 189 NE2 GLN A 12 -12.140 -0.719 12.410 1.00 0.00 N ATOM 0 H GLN A 12 -8.180 -0.493 10.211 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.036 -2.133 12.379 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.278 -3.343 11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.028 -2.906 12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.426 -0.436 11.576 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.467 -1.463 10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.270 -0.271 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.878 -0.673 13.113 1.00 0.00 H new ATOM 198 N LYS A 13 -7.375 -2.916 9.236 1.00 0.00 N ATOM 199 CA LYS A 13 -6.798 -3.427 8.032 1.00 0.00 C ATOM 200 C LYS A 13 -5.462 -4.118 8.216 1.00 0.00 C ATOM 201 O LYS A 13 -5.263 -5.263 7.809 1.00 0.00 O ATOM 202 CB LYS A 13 -6.645 -2.306 7.007 1.00 0.00 C ATOM 203 CG LYS A 13 -7.292 -2.616 5.665 1.00 0.00 C ATOM 204 CD LYS A 13 -7.474 -4.114 5.470 1.00 0.00 C ATOM 205 CE LYS A 13 -7.819 -4.449 4.028 1.00 0.00 C ATOM 206 NZ LYS A 13 -8.058 -3.227 3.213 1.00 0.00 N ATOM 0 H LYS A 13 -8.207 -2.352 9.065 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.492 -4.190 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.084 -1.394 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.584 -2.108 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.260 -2.119 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.675 -2.215 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.560 -4.633 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.265 -4.474 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.007 -5.026 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.708 -5.080 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.356 -3.501 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.804 -2.654 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.181 -2.670 3.157 1.00 0.00 H new ATOM 220 N CYS A 14 -4.550 -3.386 8.832 1.00 0.00 N ATOM 221 CA CYS A 14 -3.173 -3.752 8.711 1.00 0.00 C ATOM 222 C CYS A 14 -2.210 -2.719 9.110 1.00 0.00 C ATOM 223 O CYS A 14 -1.031 -2.896 8.802 1.00 0.00 O ATOM 224 CB CYS A 14 -2.752 -4.705 7.453 1.00 0.00 C ATOM 225 SG CYS A 14 -3.334 -4.145 5.737 1.00 0.00 S ATOM 0 H CYS A 14 -4.741 -2.562 9.402 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.078 -4.483 9.514 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.665 -4.786 7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.144 -5.706 7.637 1.00 0.00 H new ATOM 230 N ALA A 15 -2.695 -1.534 9.472 1.00 0.00 N ATOM 231 CA ALA A 15 -1.851 -0.348 9.528 1.00 0.00 C ATOM 232 C ALA A 15 -0.617 -0.592 10.390 1.00 0.00 C ATOM 233 O ALA A 15 0.440 -0.004 10.157 1.00 0.00 O ATOM 234 CB ALA A 15 -2.643 0.837 10.059 1.00 0.00 C ATOM 0 H ALA A 15 -3.668 -1.372 9.731 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.515 -0.123 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.001 1.717 10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.490 1.033 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.007 0.611 11.061 1.00 0.00 H new ATOM 240 N GLN A 16 -0.755 -1.463 11.384 1.00 0.00 N ATOM 241 CA GLN A 16 0.351 -1.784 12.274 1.00 0.00 C ATOM 242 C GLN A 16 1.574 -2.223 11.473 1.00 0.00 C ATOM 243 O GLN A 16 2.710 -1.919 11.838 1.00 0.00 O ATOM 244 CB GLN A 16 -0.054 -2.888 13.253 1.00 0.00 C ATOM 245 CG GLN A 16 -1.558 -3.017 13.434 1.00 0.00 C ATOM 246 CD GLN A 16 -1.928 -3.841 14.652 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.682 -4.810 14.553 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.401 -3.460 15.808 1.00 0.00 N ATOM 0 H GLN A 16 -1.622 -1.958 11.592 1.00 0.00 H new ATOM 0 HA GLN A 16 0.605 -0.887 12.839 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.344 -3.839 12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.405 -2.690 14.222 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.996 -2.023 13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.990 -3.476 12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.781 -2.651 15.844 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.616 -3.976 16.661 1.00 0.00 H new ATOM 257 N CYS A 17 1.329 -2.930 10.376 1.00 0.00 N ATOM 258 CA CYS A 17 2.405 -3.409 9.518 1.00 0.00 C ATOM 259 C CYS A 17 2.945 -2.277 8.647 1.00 0.00 C ATOM 260 O CYS A 17 4.064 -2.352 8.139 1.00 0.00 O ATOM 261 CB CYS A 17 1.909 -4.551 8.630 1.00 0.00 C ATOM 262 SG CYS A 17 1.884 -6.053 9.541 1.00 0.00 S ATOM 0 H CYS A 17 0.393 -3.184 10.060 1.00 0.00 H new ATOM 0 HA CYS A 17 3.209 -3.776 10.156 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.910 -4.325 8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.558 -4.654 7.760 1.00 0.00 H new ATOM 267 N HIS A 18 2.140 -1.235 8.479 1.00 0.00 N ATOM 268 CA HIS A 18 2.535 -0.089 7.669 1.00 0.00 C ATOM 269 C HIS A 18 2.745 1.148 8.538 1.00 0.00 C ATOM 270 O HIS A 18 2.719 2.276 8.044 1.00 0.00 O ATOM 271 CB HIS A 18 1.474 0.193 6.602 1.00 0.00 C ATOM 272 CG HIS A 18 1.179 -0.991 5.735 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.278 -0.962 4.361 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.786 -2.246 6.056 1.00 0.00 C ATOM 275 CE1 HIS A 18 0.959 -2.150 3.874 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.658 -2.947 4.881 1.00 0.00 N ATOM 0 H HIS A 18 1.211 -1.160 8.892 1.00 0.00 H new ATOM 0 HA HIS A 18 3.479 -0.327 7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.554 0.516 7.090 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.809 1.019 5.975 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.554 -0.152 3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.606 -2.626 7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.947 -2.421 2.829 1.00 0.00 H new ATOM 284 N THR A 19 2.954 0.925 9.830 1.00 0.00 N ATOM 285 CA THR A 19 3.171 2.017 10.768 1.00 0.00 C ATOM 286 C THR A 19 2.091 3.083 10.627 1.00 0.00 C ATOM 287 O THR A 19 1.425 3.179 9.594 1.00 0.00 O ATOM 288 CB THR A 19 4.550 2.641 10.552 1.00 0.00 C ATOM 289 OG1 THR A 19 5.562 1.652 10.601 1.00 0.00 O ATOM 290 CG2 THR A 19 4.895 3.702 11.576 1.00 0.00 C ATOM 0 H THR A 19 2.978 -0.004 10.251 1.00 0.00 H new ATOM 0 HA THR A 19 3.120 1.606 11.776 1.00 0.00 H new ATOM 0 HB THR A 19 4.503 3.109 9.569 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.233 1.903 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.886 4.103 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.160 4.506 11.529 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.887 3.262 12.573 1.00 0.00 H new ATOM 298 N VAL A 20 1.923 3.880 11.674 1.00 0.00 N ATOM 299 CA VAL A 20 0.927 4.944 11.682 1.00 0.00 C ATOM 300 C VAL A 20 1.468 6.213 11.029 1.00 0.00 C ATOM 301 O VAL A 20 2.148 6.156 10.005 1.00 0.00 O ATOM 302 CB VAL A 20 0.463 5.267 13.114 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.897 5.948 13.095 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.421 3.999 13.954 1.00 0.00 C ATOM 0 H VAL A 20 2.467 3.809 12.534 1.00 0.00 H new ATOM 0 HA VAL A 20 0.074 4.584 11.107 1.00 0.00 H new ATOM 0 HB VAL A 20 1.179 5.954 13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.208 6.168 14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.831 6.876 12.527 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.628 5.288 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.091 4.242 14.964 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.274 3.289 13.506 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.416 3.556 13.994 1.00 0.00 H new ATOM 314 N GLU A 21 1.154 7.359 11.626 1.00 0.00 N ATOM 315 CA GLU A 21 1.600 8.644 11.101 1.00 0.00 C ATOM 316 C GLU A 21 3.115 8.783 11.197 1.00 0.00 C ATOM 317 O GLU A 21 3.741 8.284 12.134 1.00 0.00 O ATOM 318 CB GLU A 21 0.923 9.790 11.861 1.00 0.00 C ATOM 319 CG GLU A 21 -0.186 9.331 12.793 1.00 0.00 C ATOM 320 CD GLU A 21 -0.846 10.484 13.521 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.986 10.307 14.006 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.228 11.566 13.609 1.00 0.00 O ATOM 0 H GLU A 21 0.592 7.423 12.475 1.00 0.00 H new ATOM 0 HA GLU A 21 1.318 8.693 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.675 10.325 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.512 10.499 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.938 8.790 12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.223 8.631 13.522 1.00 0.00 H new ATOM 329 N LYS A 22 3.699 9.461 10.211 1.00 0.00 N ATOM 330 CA LYS A 22 5.142 9.663 10.176 1.00 0.00 C ATOM 331 C LYS A 22 5.637 10.247 11.492 1.00 0.00 C ATOM 332 O LYS A 22 5.207 11.322 11.912 1.00 0.00 O ATOM 333 CB LYS A 22 5.521 10.589 9.019 1.00 0.00 C ATOM 334 CG LYS A 22 6.980 10.482 8.607 1.00 0.00 C ATOM 335 CD LYS A 22 7.906 10.633 9.802 1.00 0.00 C ATOM 336 CE LYS A 22 7.679 11.951 10.523 1.00 0.00 C ATOM 337 NZ LYS A 22 8.452 12.034 11.792 1.00 0.00 N ATOM 0 H LYS A 22 3.195 9.878 9.429 1.00 0.00 H new ATOM 0 HA LYS A 22 5.617 8.694 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.892 10.359 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.307 11.619 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.155 9.518 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.208 11.250 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.745 9.807 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.942 10.573 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.965 12.775 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.617 12.068 10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.811 12.276 12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.902 11.117 11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.184 12.767 11.705 1.00 0.00 H new ATOM 351 N GLY A 23 6.540 9.524 12.142 1.00 0.00 N ATOM 352 CA GLY A 23 7.083 9.970 13.410 1.00 0.00 C ATOM 353 C GLY A 23 7.421 8.806 14.317 1.00 0.00 C ATOM 354 O GLY A 23 8.363 8.875 15.107 1.00 0.00 O ATOM 0 H GLY A 23 6.908 8.632 11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.979 10.565 13.233 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.362 10.620 13.906 1.00 0.00 H new ATOM 358 N GLY A 24 6.649 7.729 14.200 1.00 0.00 N ATOM 359 CA GLY A 24 6.888 6.554 15.018 1.00 0.00 C ATOM 360 C GLY A 24 8.051 5.725 14.510 1.00 0.00 C ATOM 361 O GLY A 24 9.135 6.252 14.261 1.00 0.00 O ATOM 0 H GLY A 24 5.864 7.650 13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.086 6.863 16.044 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.988 5.939 15.038 1.00 0.00 H new ATOM 365 N LYS A 25 7.825 4.424 14.352 1.00 0.00 N ATOM 366 CA LYS A 25 8.865 3.523 13.866 1.00 0.00 C ATOM 367 C LYS A 25 8.542 3.031 12.459 1.00 0.00 C ATOM 368 O LYS A 25 7.382 3.019 12.046 1.00 0.00 O ATOM 369 CB LYS A 25 9.019 2.329 14.811 1.00 0.00 C ATOM 370 CG LYS A 25 8.272 2.495 16.125 1.00 0.00 C ATOM 371 CD LYS A 25 7.790 1.158 16.665 1.00 0.00 C ATOM 372 CE LYS A 25 6.900 0.443 15.663 1.00 0.00 C ATOM 373 NZ LYS A 25 7.428 -0.903 15.310 1.00 0.00 N ATOM 0 H LYS A 25 6.933 3.971 14.553 1.00 0.00 H new ATOM 0 HA LYS A 25 9.804 4.076 13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.660 1.430 14.309 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.078 2.176 15.021 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.924 2.971 16.858 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.419 3.158 15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.648 0.530 16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.241 1.316 17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.897 0.342 16.077 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.813 1.047 14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.791 -1.357 14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.375 -0.806 14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.487 -1.489 16.167 1.00 0.00 H new ATOM 387 N HIS A 26 9.574 2.625 11.724 1.00 0.00 N ATOM 388 CA HIS A 26 9.393 2.132 10.363 1.00 0.00 C ATOM 389 C HIS A 26 8.543 0.866 10.356 1.00 0.00 C ATOM 390 O HIS A 26 8.671 0.014 11.234 1.00 0.00 O ATOM 391 CB HIS A 26 10.747 1.853 9.704 1.00 0.00 C ATOM 392 CG HIS A 26 11.918 2.150 10.587 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.140 1.507 11.786 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.939 3.025 10.436 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.245 1.977 12.337 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.750 2.898 11.538 1.00 0.00 N ATOM 0 H HIS A 26 10.541 2.628 12.047 1.00 0.00 H new ATOM 0 HA HIS A 26 8.877 2.904 9.793 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.786 0.806 9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.828 2.449 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.089 3.698 9.604 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.664 1.661 13.281 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.604 3.429 11.710 1.00 0.00 H new ATOM 405 N LYS A 27 7.671 0.755 9.361 1.00 0.00 N ATOM 406 CA LYS A 27 6.795 -0.403 9.237 1.00 0.00 C ATOM 407 C LYS A 27 7.482 -1.526 8.469 1.00 0.00 C ATOM 408 O LYS A 27 8.579 -1.349 7.935 1.00 0.00 O ATOM 409 CB LYS A 27 5.498 -0.010 8.528 1.00 0.00 C ATOM 410 CG LYS A 27 5.582 -0.120 7.016 1.00 0.00 C ATOM 411 CD LYS A 27 5.053 1.132 6.335 1.00 0.00 C ATOM 412 CE LYS A 27 5.485 2.390 7.069 1.00 0.00 C ATOM 413 NZ LYS A 27 6.068 3.402 6.144 1.00 0.00 N ATOM 0 H LYS A 27 7.552 1.454 8.628 1.00 0.00 H new ATOM 0 HA LYS A 27 6.563 -0.761 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.689 -0.646 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.241 1.015 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.618 -0.287 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.011 -0.986 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.413 1.168 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.965 1.091 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.627 2.822 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.219 2.131 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.972 3.744 6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.230 2.968 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.410 4.201 6.044 1.00 0.00 H new ATOM 427 N THR A 28 6.833 -2.684 8.416 1.00 0.00 N ATOM 428 CA THR A 28 7.379 -3.837 7.713 1.00 0.00 C ATOM 429 C THR A 28 7.394 -3.598 6.207 1.00 0.00 C ATOM 430 O THR A 28 8.337 -3.984 5.516 1.00 0.00 O ATOM 431 CB THR A 28 6.563 -5.091 8.035 1.00 0.00 C ATOM 432 OG1 THR A 28 5.960 -4.983 9.312 1.00 0.00 O ATOM 433 CG2 THR A 28 7.386 -6.362 8.022 1.00 0.00 C ATOM 0 H THR A 28 5.926 -2.848 8.853 1.00 0.00 H new ATOM 0 HA THR A 28 8.405 -3.984 8.050 1.00 0.00 H new ATOM 0 HB THR A 28 5.812 -5.156 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.442 -5.793 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.746 -7.212 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.825 -6.501 7.034 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.181 -6.289 8.765 1.00 0.00 H new ATOM 441 N GLY A 29 6.346 -2.955 5.704 1.00 0.00 N ATOM 442 CA GLY A 29 6.257 -2.675 4.283 1.00 0.00 C ATOM 443 C GLY A 29 5.781 -1.261 4.003 1.00 0.00 C ATOM 444 O GLY A 29 5.012 -0.697 4.780 1.00 0.00 O ATOM 0 H GLY A 29 5.555 -2.622 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.234 -2.825 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.574 -3.385 3.817 1.00 0.00 H new ATOM 448 N PRO A 30 6.223 -0.663 2.887 1.00 0.00 N ATOM 449 CA PRO A 30 5.832 0.696 2.511 1.00 0.00 C ATOM 450 C PRO A 30 4.343 0.952 2.722 1.00 0.00 C ATOM 451 O PRO A 30 3.497 0.255 2.162 1.00 0.00 O ATOM 452 CB PRO A 30 6.185 0.752 1.026 1.00 0.00 C ATOM 453 CG PRO A 30 7.345 -0.175 0.886 1.00 0.00 C ATOM 454 CD PRO A 30 7.138 -1.269 1.901 1.00 0.00 C ATOM 0 HA PRO A 30 6.332 1.454 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.346 0.436 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.446 1.764 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.395 -0.585 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.284 0.348 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.704 -2.160 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.079 -1.572 2.361 1.00 0.00 H new ATOM 462 N ASN A 31 4.032 1.953 3.538 1.00 0.00 N ATOM 463 CA ASN A 31 2.646 2.302 3.828 1.00 0.00 C ATOM 464 C ASN A 31 1.862 2.546 2.543 1.00 0.00 C ATOM 465 O ASN A 31 0.886 1.851 2.260 1.00 0.00 O ATOM 466 CB ASN A 31 2.587 3.545 4.719 1.00 0.00 C ATOM 467 CG ASN A 31 1.392 3.531 5.652 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.643 2.556 5.705 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.209 4.617 6.395 1.00 0.00 N ATOM 0 H ASN A 31 4.721 2.537 4.011 1.00 0.00 H new ATOM 0 HA ASN A 31 2.191 1.463 4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.503 3.611 5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.545 4.436 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.422 4.666 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.855 5.402 6.318 1.00 0.00 H new ATOM 476 N LEU A 32 2.292 3.538 1.772 1.00 0.00 N ATOM 477 CA LEU A 32 1.626 3.882 0.621 1.00 0.00 C ATOM 478 C LEU A 32 2.385 4.969 -0.226 1.00 0.00 C ATOM 479 O LEU A 32 2.340 5.044 -1.454 1.00 0.00 O ATOM 480 CB LEU A 32 0.192 4.338 0.692 1.00 0.00 C ATOM 481 CG LEU A 32 -0.343 5.514 1.529 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.237 5.459 2.933 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.052 6.799 0.841 1.00 0.00 C ATOM 0 H LEU A 32 3.120 4.100 1.969 1.00 0.00 H new ATOM 0 HA LEU A 32 1.606 2.894 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.100 4.552 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.379 3.466 1.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.428 5.458 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.147 6.295 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.050 4.521 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.324 5.522 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.317 7.648 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.138 6.854 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.380 6.824 -0.159 1.00 0.00 H new ATOM 495 N HIS A 33 3.080 5.816 0.527 1.00 0.00 N ATOM 496 CA HIS A 33 3.846 6.907 -0.065 1.00 0.00 C ATOM 497 C HIS A 33 4.718 6.398 -1.208 1.00 0.00 C ATOM 498 O HIS A 33 5.526 5.486 -1.029 1.00 0.00 O ATOM 499 CB HIS A 33 4.719 7.579 0.997 1.00 0.00 C ATOM 500 CG HIS A 33 4.556 9.066 1.052 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.521 9.912 1.559 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.533 9.860 0.657 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.097 11.159 1.476 1.00 0.00 C ATOM 504 NE2 HIS A 33 3.893 11.156 0.932 1.00 0.00 N ATOM 0 H HIS A 33 3.129 5.768 1.545 1.00 0.00 H new ATOM 0 HA HIS A 33 3.143 7.639 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.477 7.159 1.973 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.765 7.343 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.606 9.534 0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.642 12.034 1.798 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.324 11.982 0.747 1.00 0.00 H new ATOM 513 N GLY A 34 4.546 6.993 -2.384 1.00 0.00 N ATOM 514 CA GLY A 34 5.322 6.586 -3.539 1.00 0.00 C ATOM 515 C GLY A 34 4.904 5.229 -4.070 1.00 0.00 C ATOM 516 O GLY A 34 5.636 4.600 -4.835 1.00 0.00 O ATOM 0 H GLY A 34 3.883 7.749 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.212 7.331 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.378 6.558 -3.272 1.00 0.00 H new ATOM 520 N LEU A 35 3.722 4.775 -3.662 1.00 0.00 N ATOM 521 CA LEU A 35 3.207 3.484 -4.099 1.00 0.00 C ATOM 522 C LEU A 35 3.041 3.452 -5.615 1.00 0.00 C ATOM 523 O LEU A 35 3.472 2.506 -6.276 1.00 0.00 O ATOM 524 CB LEU A 35 1.865 3.192 -3.422 1.00 0.00 C ATOM 525 CG LEU A 35 1.305 1.792 -3.677 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.325 0.731 -3.298 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.010 1.590 -2.903 1.00 0.00 C ATOM 0 H LEU A 35 3.104 5.283 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 35 3.926 2.717 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.979 3.331 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.135 3.927 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 35 1.090 1.695 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.908 -0.258 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.227 0.864 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.572 0.825 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.376 0.589 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.202 1.707 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.724 2.330 -3.223 1.00 0.00 H new ATOM 539 N PHE A 36 2.419 4.493 -6.159 1.00 0.00 N ATOM 540 CA PHE A 36 2.199 4.585 -7.597 1.00 0.00 C ATOM 541 C PHE A 36 3.073 5.673 -8.210 1.00 0.00 C ATOM 542 O PHE A 36 2.854 6.095 -9.345 1.00 0.00 O ATOM 543 CB PHE A 36 0.725 4.868 -7.893 1.00 0.00 C ATOM 544 CG PHE A 36 -0.211 4.356 -6.835 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.797 3.106 -6.955 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.505 5.125 -5.720 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.659 2.632 -5.985 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.364 4.656 -4.746 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.942 3.408 -4.878 1.00 0.00 C ATOM 0 H PHE A 36 2.059 5.284 -5.626 1.00 0.00 H new ATOM 0 HA PHE A 36 2.473 3.629 -8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.585 5.944 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.462 4.415 -8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.577 2.495 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.057 6.102 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.111 1.657 -6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.584 5.264 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.614 3.040 -4.117 1.00 0.00 H new ATOM 559 N GLY A 37 4.066 6.123 -7.451 1.00 0.00 N ATOM 560 CA GLY A 37 4.962 7.159 -7.933 1.00 0.00 C ATOM 561 C GLY A 37 6.418 6.739 -7.873 1.00 0.00 C ATOM 562 O GLY A 37 7.198 7.047 -8.774 1.00 0.00 O ATOM 0 H GLY A 37 4.267 5.788 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.702 7.411 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.822 8.062 -7.338 1.00 0.00 H new ATOM 566 N ARG A 38 6.783 6.031 -6.809 1.00 0.00 N ATOM 567 CA ARG A 38 8.153 5.564 -6.632 1.00 0.00 C ATOM 568 C ARG A 38 8.344 4.197 -7.281 1.00 0.00 C ATOM 569 O ARG A 38 7.374 3.546 -7.670 1.00 0.00 O ATOM 570 CB ARG A 38 8.503 5.496 -5.146 1.00 0.00 C ATOM 571 CG ARG A 38 8.574 6.857 -4.474 1.00 0.00 C ATOM 572 CD ARG A 38 9.276 6.777 -3.129 1.00 0.00 C ATOM 573 NE ARG A 38 10.387 7.722 -3.033 1.00 0.00 N ATOM 574 CZ ARG A 38 10.277 9.016 -3.315 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.115 9.515 -3.709 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.332 9.811 -3.204 1.00 0.00 N ATOM 0 H ARG A 38 6.148 5.768 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 38 8.822 6.274 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.759 4.886 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.463 4.993 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.103 7.556 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.566 7.250 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.559 6.979 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.647 5.764 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 38 11.296 7.369 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.302 8.906 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.033 10.509 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.229 9.430 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.247 10.804 -3.421 1.00 0.00 H new ATOM 590 N LYS A 39 9.596 3.768 -7.406 1.00 0.00 N ATOM 591 CA LYS A 39 9.900 2.481 -8.022 1.00 0.00 C ATOM 592 C LYS A 39 9.142 1.350 -7.342 1.00 0.00 C ATOM 593 O LYS A 39 7.991 1.072 -7.681 1.00 0.00 O ATOM 594 CB LYS A 39 11.403 2.196 -7.982 1.00 0.00 C ATOM 595 CG LYS A 39 11.802 0.902 -8.684 1.00 0.00 C ATOM 596 CD LYS A 39 10.703 0.405 -9.614 1.00 0.00 C ATOM 597 CE LYS A 39 10.388 1.420 -10.697 1.00 0.00 C ATOM 598 NZ LYS A 39 9.068 1.162 -11.334 1.00 0.00 N ATOM 0 H LYS A 39 10.413 4.290 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 39 9.580 2.536 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.934 3.028 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.727 2.150 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.716 1.064 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.023 0.137 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.011 -0.534 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.803 0.197 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.394 2.422 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.169 1.394 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.575 2.064 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.210 0.685 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.495 0.556 -10.713 1.00 0.00 H new ATOM 612 N THR A 40 9.793 0.477 -6.601 1.00 0.00 N ATOM 613 CA THR A 40 9.065 -0.436 -5.703 1.00 0.00 C ATOM 614 C THR A 40 9.768 -0.558 -4.264 1.00 0.00 C ATOM 615 O THR A 40 10.716 -1.154 -4.014 1.00 0.00 O ATOM 616 CB THR A 40 8.887 -1.846 -6.102 1.00 0.00 C ATOM 617 OG1 THR A 40 10.090 -2.546 -6.320 1.00 0.00 O ATOM 618 CG2 THR A 40 7.803 -2.196 -6.953 1.00 0.00 C ATOM 0 H THR A 40 10.807 0.370 -6.592 1.00 0.00 H new ATOM 0 HA THR A 40 8.093 0.057 -5.722 1.00 0.00 H new ATOM 0 HB THR A 40 8.480 -2.253 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.721 -2.345 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.823 -3.269 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.862 -1.930 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.892 -1.657 -7.896 1.00 0.00 H new ATOM 626 N GLY A 41 8.905 0.004 -3.317 1.00 0.00 N ATOM 627 CA GLY A 41 9.280 -0.066 -1.915 1.00 0.00 C ATOM 628 C GLY A 41 10.672 0.473 -1.641 1.00 0.00 C ATOM 629 O GLY A 41 11.396 -0.061 -0.801 1.00 0.00 O ATOM 0 H GLY A 41 8.020 0.468 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.557 0.496 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.227 -1.103 -1.583 1.00 0.00 H new ATOM 633 N GLN A 42 11.052 1.532 -2.350 1.00 0.00 N ATOM 634 CA GLN A 42 12.370 2.136 -2.170 1.00 0.00 C ATOM 635 C GLN A 42 12.286 3.391 -1.308 1.00 0.00 C ATOM 636 O GLN A 42 12.895 4.413 -1.621 1.00 0.00 O ATOM 637 CB GLN A 42 12.990 2.477 -3.528 1.00 0.00 C ATOM 638 CG GLN A 42 11.982 2.533 -4.665 1.00 0.00 C ATOM 639 CD GLN A 42 10.824 3.463 -4.367 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.021 4.618 -3.988 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.607 2.963 -4.539 1.00 0.00 N ATOM 0 H GLN A 42 10.469 1.989 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 42 13.004 1.411 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.495 3.440 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.752 1.735 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.483 2.862 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.599 1.531 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.491 2.000 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.787 3.542 -4.356 1.00 0.00 H new ATOM 650 N ALA A 43 11.528 3.308 -0.219 1.00 0.00 N ATOM 651 CA ALA A 43 11.365 4.438 0.689 1.00 0.00 C ATOM 652 C ALA A 43 12.718 4.969 1.157 1.00 0.00 C ATOM 653 O ALA A 43 13.764 4.420 0.814 1.00 0.00 O ATOM 654 CB ALA A 43 10.514 4.036 1.885 1.00 0.00 C ATOM 0 H ALA A 43 11.017 2.469 0.056 1.00 0.00 H new ATOM 0 HA ALA A 43 10.858 5.236 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.401 4.889 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.532 3.712 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.999 3.218 2.418 1.00 0.00 H new ATOM 660 N PRO A 44 12.708 6.054 1.947 1.00 0.00 N ATOM 661 CA PRO A 44 13.931 6.670 2.465 1.00 0.00 C ATOM 662 C PRO A 44 14.499 5.927 3.672 1.00 0.00 C ATOM 663 O PRO A 44 15.114 4.871 3.528 1.00 0.00 O ATOM 664 CB PRO A 44 13.459 8.067 2.864 1.00 0.00 C ATOM 665 CG PRO A 44 12.037 7.877 3.263 1.00 0.00 C ATOM 666 CD PRO A 44 11.497 6.770 2.394 1.00 0.00 C ATOM 0 HA PRO A 44 14.740 6.663 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.052 8.467 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.549 8.769 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.961 7.615 4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.467 8.795 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.827 6.115 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.930 7.164 1.550 1.00 0.00 H new ATOM 674 N GLY A 45 14.290 6.486 4.859 1.00 0.00 N ATOM 675 CA GLY A 45 14.789 5.865 6.074 1.00 0.00 C ATOM 676 C GLY A 45 14.038 4.596 6.428 1.00 0.00 C ATOM 677 O GLY A 45 14.265 4.004 7.482 1.00 0.00 O ATOM 0 H GLY A 45 13.783 7.359 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.847 5.635 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.709 6.573 6.899 1.00 0.00 H new ATOM 681 N PHE A 46 13.142 4.181 5.541 1.00 0.00 N ATOM 682 CA PHE A 46 12.350 2.974 5.756 1.00 0.00 C ATOM 683 C PHE A 46 13.137 1.729 5.366 1.00 0.00 C ATOM 684 O PHE A 46 13.777 1.692 4.315 1.00 0.00 O ATOM 685 CB PHE A 46 11.050 3.040 4.955 1.00 0.00 C ATOM 686 CG PHE A 46 10.175 1.833 5.140 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.437 1.670 6.300 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.091 0.864 4.155 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.632 0.563 6.476 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.286 -0.247 4.325 1.00 0.00 C ATOM 691 CZ PHE A 46 8.556 -0.398 5.487 1.00 0.00 C ATOM 0 H PHE A 46 12.945 4.663 4.664 1.00 0.00 H new ATOM 0 HA PHE A 46 12.111 2.913 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.495 3.931 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.289 3.148 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.492 2.418 7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.660 0.977 3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.062 0.448 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.228 -0.996 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.927 -1.265 5.622 1.00 0.00 H new ATOM 701 N THR A 47 13.086 0.710 6.218 1.00 0.00 N ATOM 702 CA THR A 47 13.798 -0.535 5.954 1.00 0.00 C ATOM 703 C THR A 47 13.012 -1.403 4.977 1.00 0.00 C ATOM 704 O THR A 47 12.041 -2.056 5.350 1.00 0.00 O ATOM 705 CB THR A 47 14.038 -1.298 7.258 1.00 0.00 C ATOM 706 OG1 THR A 47 15.386 -1.714 7.356 1.00 0.00 O ATOM 707 CG2 THR A 47 13.166 -2.529 7.401 1.00 0.00 C ATOM 0 H THR A 47 12.562 0.721 7.093 1.00 0.00 H new ATOM 0 HA THR A 47 14.762 -0.291 5.507 1.00 0.00 H new ATOM 0 HB THR A 47 13.783 -0.597 8.053 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.519 -2.198 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.387 -3.023 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.116 -2.236 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.367 -3.215 6.578 1.00 0.00 H new ATOM 715 N TYR A 48 13.442 -1.390 3.720 1.00 0.00 N ATOM 716 CA TYR A 48 12.782 -2.162 2.674 1.00 0.00 C ATOM 717 C TYR A 48 13.078 -3.650 2.804 1.00 0.00 C ATOM 718 O TYR A 48 14.070 -4.051 3.412 1.00 0.00 O ATOM 719 CB TYR A 48 13.227 -1.676 1.293 1.00 0.00 C ATOM 720 CG TYR A 48 14.269 -0.582 1.338 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.560 -0.843 1.781 1.00 0.00 C ATOM 722 CD2 TYR A 48 13.964 0.713 0.935 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.515 0.154 1.824 1.00 0.00 C ATOM 724 CE2 TYR A 48 14.915 1.715 0.975 1.00 0.00 C ATOM 725 CZ TYR A 48 16.188 1.431 1.419 1.00 0.00 C ATOM 726 OH TYR A 48 17.137 2.426 1.460 1.00 0.00 O ATOM 0 H TYR A 48 14.247 -0.852 3.400 1.00 0.00 H new ATOM 0 HA TYR A 48 11.708 -2.013 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.625 -2.521 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.356 -1.313 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.821 -1.842 2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.968 0.940 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.513 -0.066 2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.661 2.716 0.660 1.00 0.00 H new ATOM 0 HH TYR A 48 16.745 3.265 1.140 1.00 0.00 H new ATOM 736 N THR A 49 12.214 -4.462 2.205 1.00 0.00 N ATOM 737 CA THR A 49 12.375 -5.907 2.217 1.00 0.00 C ATOM 738 C THR A 49 13.388 -6.316 1.160 1.00 0.00 C ATOM 739 O THR A 49 13.808 -5.493 0.351 1.00 0.00 O ATOM 740 CB THR A 49 11.036 -6.597 1.955 1.00 0.00 C ATOM 741 OG1 THR A 49 10.628 -6.408 0.612 1.00 0.00 O ATOM 742 CG2 THR A 49 9.922 -6.099 2.847 1.00 0.00 C ATOM 0 H THR A 49 11.388 -4.138 1.701 1.00 0.00 H new ATOM 0 HA THR A 49 12.734 -6.214 3.199 1.00 0.00 H new ATOM 0 HB THR A 49 11.208 -7.652 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.770 -6.858 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.000 -6.630 2.609 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.184 -6.277 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.777 -5.031 2.686 1.00 0.00 H new ATOM 750 N ASP A 50 13.783 -7.581 1.162 1.00 0.00 N ATOM 751 CA ASP A 50 14.751 -8.054 0.186 1.00 0.00 C ATOM 752 C ASP A 50 14.279 -7.726 -1.226 1.00 0.00 C ATOM 753 O ASP A 50 15.080 -7.400 -2.102 1.00 0.00 O ATOM 754 CB ASP A 50 14.967 -9.561 0.332 1.00 0.00 C ATOM 755 CG ASP A 50 15.387 -10.215 -0.968 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.563 -10.623 -1.076 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.540 -10.320 -1.881 1.00 0.00 O ATOM 0 H ASP A 50 13.453 -8.289 1.819 1.00 0.00 H new ATOM 0 HA ASP A 50 15.699 -7.548 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.729 -9.744 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.046 -10.024 0.687 1.00 0.00 H new ATOM 762 N ALA A 51 12.967 -7.803 -1.437 1.00 0.00 N ATOM 763 CA ALA A 51 12.384 -7.502 -2.740 1.00 0.00 C ATOM 764 C ALA A 51 12.463 -6.009 -3.048 1.00 0.00 C ATOM 765 O ALA A 51 12.831 -5.610 -4.155 1.00 0.00 O ATOM 766 CB ALA A 51 10.941 -7.978 -2.792 1.00 0.00 C ATOM 0 H ALA A 51 12.289 -8.071 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 51 12.959 -8.032 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.517 -7.748 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.907 -9.055 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.363 -7.473 -2.018 1.00 0.00 H new ATOM 772 N ASN A 52 12.115 -5.184 -2.061 1.00 0.00 N ATOM 773 CA ASN A 52 12.146 -3.736 -2.233 1.00 0.00 C ATOM 774 C ASN A 52 13.559 -3.260 -2.549 1.00 0.00 C ATOM 775 O ASN A 52 13.763 -2.442 -3.447 1.00 0.00 O ATOM 776 CB ASN A 52 11.633 -3.040 -0.969 1.00 0.00 C ATOM 777 CG ASN A 52 10.179 -3.366 -0.682 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.683 -3.122 0.420 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.489 -3.921 -1.671 1.00 0.00 N ATOM 0 H ASN A 52 11.810 -5.494 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 52 11.497 -3.479 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.245 -3.339 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.746 -1.962 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.508 -4.163 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.940 -4.105 -2.567 1.00 0.00 H new ATOM 786 N LYS A 53 14.533 -3.786 -1.816 1.00 0.00 N ATOM 787 CA LYS A 53 15.927 -3.424 -2.028 1.00 0.00 C ATOM 788 C LYS A 53 16.345 -3.761 -3.452 1.00 0.00 C ATOM 789 O LYS A 53 17.189 -3.087 -4.042 1.00 0.00 O ATOM 790 CB LYS A 53 16.827 -4.158 -1.030 1.00 0.00 C ATOM 791 CG LYS A 53 16.536 -5.646 -0.929 1.00 0.00 C ATOM 792 CD LYS A 53 17.594 -6.365 -0.109 1.00 0.00 C ATOM 793 CE LYS A 53 17.240 -6.376 1.370 1.00 0.00 C ATOM 794 NZ LYS A 53 17.055 -7.760 1.887 1.00 0.00 N ATOM 0 H LYS A 53 14.382 -4.465 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 53 16.035 -2.351 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.868 -4.019 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.709 -3.705 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.557 -5.796 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.493 -6.078 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.699 -7.389 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.559 -5.877 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.029 -5.880 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.326 -5.804 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.083 -7.872 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.226 -8.442 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.727 -7.934 2.662 1.00 0.00 H new ATOM 808 N ASN A 54 15.737 -4.808 -4.004 1.00 0.00 N ATOM 809 CA ASN A 54 16.031 -5.235 -5.364 1.00 0.00 C ATOM 810 C ASN A 54 15.368 -4.297 -6.366 1.00 0.00 C ATOM 811 O ASN A 54 15.725 -4.274 -7.543 1.00 0.00 O ATOM 812 CB ASN A 54 15.550 -6.671 -5.589 1.00 0.00 C ATOM 813 CG ASN A 54 16.193 -7.651 -4.630 1.00 0.00 C ATOM 814 OD1 ASN A 54 15.959 -8.859 -4.710 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.009 -7.138 -3.717 1.00 0.00 N ATOM 0 H ASN A 54 15.037 -5.376 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 54 17.110 -5.202 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.467 -6.711 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.773 -6.970 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.471 -7.750 -3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.173 -6.132 -3.688 1.00 0.00 H new ATOM 822 N LYS A 55 14.400 -3.526 -5.881 1.00 0.00 N ATOM 823 CA LYS A 55 13.681 -2.580 -6.726 1.00 0.00 C ATOM 824 C LYS A 55 12.720 -3.302 -7.659 1.00 0.00 C ATOM 825 O LYS A 55 12.859 -3.241 -8.881 1.00 0.00 O ATOM 826 CB LYS A 55 14.666 -1.740 -7.542 1.00 0.00 C ATOM 827 CG LYS A 55 15.384 -0.679 -6.723 1.00 0.00 C ATOM 828 CD LYS A 55 16.862 -0.611 -7.074 1.00 0.00 C ATOM 829 CE LYS A 55 17.478 -1.999 -7.158 1.00 0.00 C ATOM 830 NZ LYS A 55 18.945 -1.970 -6.908 1.00 0.00 N ATOM 0 H LYS A 55 14.096 -3.538 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 55 13.103 -1.922 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.406 -2.400 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.129 -1.256 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.922 0.292 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.271 -0.899 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.988 -0.097 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.389 -0.022 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.998 -2.654 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.286 -2.423 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.328 -2.935 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.406 -1.365 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.128 -1.589 -5.958 1.00 0.00 H new ATOM 844 N GLY A 56 11.738 -3.983 -7.075 1.00 0.00 N ATOM 845 CA GLY A 56 10.762 -4.701 -7.870 1.00 0.00 C ATOM 846 C GLY A 56 10.106 -3.810 -8.901 1.00 0.00 C ATOM 847 O GLY A 56 10.726 -3.449 -9.901 1.00 0.00 O ATOM 0 H GLY A 56 11.602 -4.049 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.248 -5.539 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.999 -5.121 -7.215 1.00 0.00 H new ATOM 851 N ILE A 57 8.854 -3.440 -8.655 1.00 0.00 N ATOM 852 CA ILE A 57 8.137 -2.570 -9.574 1.00 0.00 C ATOM 853 C ILE A 57 7.061 -1.656 -8.962 1.00 0.00 C ATOM 854 O ILE A 57 6.700 -1.932 -7.751 1.00 0.00 O ATOM 855 CB ILE A 57 7.403 -3.365 -10.661 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.731 -2.775 -12.019 1.00 0.00 C ATOM 857 CG2 ILE A 57 5.906 -3.360 -10.422 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.013 -1.295 -11.963 1.00 0.00 C ATOM 0 H ILE A 57 8.320 -3.727 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 57 8.949 -1.950 -9.954 1.00 0.00 H new ATOM 0 HB ILE A 57 7.736 -4.402 -10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.598 -3.290 -12.433 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.898 -2.956 -12.699 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.410 -3.931 -11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.691 -3.812 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.539 -2.334 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.241 -0.930 -12.964 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.138 -0.772 -11.577 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.864 -1.111 -11.307 1.00 0.00 H new ATOM 870 N THR A 58 6.619 -0.683 -9.576 1.00 0.00 N ATOM 871 CA THR A 58 5.670 0.263 -9.012 1.00 0.00 C ATOM 872 C THR A 58 4.275 -0.338 -8.956 1.00 0.00 C ATOM 873 O THR A 58 3.660 -0.621 -9.984 1.00 0.00 O ATOM 874 CB THR A 58 5.652 1.548 -9.840 1.00 0.00 C ATOM 875 OG1 THR A 58 5.828 2.685 -9.030 1.00 0.00 O ATOM 876 CG2 THR A 58 4.329 1.796 -10.533 1.00 0.00 C ATOM 0 H THR A 58 6.888 -0.465 -10.536 1.00 0.00 H new ATOM 0 HA THR A 58 5.985 0.497 -7.995 1.00 0.00 H new ATOM 0 HB THR A 58 6.457 1.405 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.728 2.674 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.385 2.724 -11.103 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.111 0.968 -11.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.537 1.875 -9.788 1.00 0.00 H new ATOM 884 N TRP A 59 3.786 -0.525 -7.741 1.00 0.00 N ATOM 885 CA TRP A 59 2.463 -1.091 -7.517 1.00 0.00 C ATOM 886 C TRP A 59 1.374 -0.144 -8.009 1.00 0.00 C ATOM 887 O TRP A 59 1.127 0.903 -7.411 1.00 0.00 O ATOM 888 CB TRP A 59 2.275 -1.391 -6.030 1.00 0.00 C ATOM 889 CG TRP A 59 3.575 -1.536 -5.300 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.374 -0.528 -4.842 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.233 -2.759 -4.952 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.490 -1.048 -4.234 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.425 -2.417 -4.287 1.00 0.00 C ATOM 894 CE3 TRP A 59 3.931 -4.112 -5.139 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.314 -3.378 -3.809 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.813 -5.062 -4.663 1.00 0.00 C ATOM 897 CH2 TRP A 59 5.993 -4.692 -4.007 1.00 0.00 C ATOM 0 H TRP A 59 4.290 -0.291 -6.886 1.00 0.00 H new ATOM 0 HA TRP A 59 2.382 -2.019 -8.083 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.694 -0.590 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.697 -2.308 -5.919 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.159 0.526 -4.943 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.244 -0.505 -3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.025 -4.408 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.224 -3.095 -3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.588 -6.110 -4.799 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.663 -5.460 -3.650 1.00 0.00 H new ATOM 908 N LYS A 60 0.728 -0.525 -9.104 1.00 0.00 N ATOM 909 CA LYS A 60 -0.339 0.280 -9.690 1.00 0.00 C ATOM 910 C LYS A 60 -1.703 -0.306 -9.345 1.00 0.00 C ATOM 911 O LYS A 60 -1.793 -1.399 -8.790 1.00 0.00 O ATOM 912 CB LYS A 60 -0.168 0.364 -11.208 1.00 0.00 C ATOM 913 CG LYS A 60 -1.392 -0.082 -11.993 1.00 0.00 C ATOM 914 CD LYS A 60 -2.247 1.102 -12.414 1.00 0.00 C ATOM 915 CE LYS A 60 -2.712 0.966 -13.854 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.259 2.111 -14.694 1.00 0.00 N ATOM 0 H LYS A 60 0.925 -1.390 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.280 1.286 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.071 1.392 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.683 -0.250 -11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.076 -0.636 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.987 -0.763 -11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.113 1.180 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.676 2.024 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.330 0.035 -14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.800 0.904 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.596 1.981 -15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.644 2.997 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.220 2.155 -14.690 1.00 0.00 H new ATOM 930 N GLU A 61 -2.762 0.426 -9.671 1.00 0.00 N ATOM 931 CA GLU A 61 -4.119 -0.028 -9.389 1.00 0.00 C ATOM 932 C GLU A 61 -4.425 -1.332 -10.124 1.00 0.00 C ATOM 933 O GLU A 61 -4.791 -2.332 -9.507 1.00 0.00 O ATOM 934 CB GLU A 61 -5.130 1.045 -9.791 1.00 0.00 C ATOM 935 CG GLU A 61 -6.162 1.343 -8.713 1.00 0.00 C ATOM 936 CD GLU A 61 -7.577 1.034 -9.159 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.491 1.806 -8.811 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.770 0.014 -9.857 1.00 0.00 O ATOM 0 H GLU A 61 -2.708 1.335 -10.130 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.197 -0.211 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.595 1.963 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.645 0.726 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.930 0.759 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.095 2.394 -8.432 1.00 0.00 H new ATOM 945 N GLU A 62 -4.276 -1.313 -11.446 1.00 0.00 N ATOM 946 CA GLU A 62 -4.543 -2.490 -12.269 1.00 0.00 C ATOM 947 C GLU A 62 -3.594 -3.636 -11.928 1.00 0.00 C ATOM 948 O GLU A 62 -4.012 -4.790 -11.821 1.00 0.00 O ATOM 949 CB GLU A 62 -4.417 -2.136 -13.752 1.00 0.00 C ATOM 950 CG GLU A 62 -3.007 -2.294 -14.298 1.00 0.00 C ATOM 951 CD GLU A 62 -2.882 -1.828 -15.735 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.922 -1.731 -16.420 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.745 -1.558 -16.175 1.00 0.00 O ATOM 0 H GLU A 62 -3.971 -0.494 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.561 -2.819 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.093 -2.769 -14.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.742 -1.106 -13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.315 -1.728 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.711 -3.341 -14.233 1.00 0.00 H new ATOM 960 N THR A 63 -2.317 -3.313 -11.759 1.00 0.00 N ATOM 961 CA THR A 63 -1.311 -4.319 -11.435 1.00 0.00 C ATOM 962 C THR A 63 -1.596 -4.946 -10.076 1.00 0.00 C ATOM 963 O THR A 63 -1.257 -6.103 -9.829 1.00 0.00 O ATOM 964 CB THR A 63 0.086 -3.694 -11.438 1.00 0.00 C ATOM 965 OG1 THR A 63 0.930 -4.359 -12.360 1.00 0.00 O ATOM 966 CG2 THR A 63 0.762 -3.734 -10.084 1.00 0.00 C ATOM 0 H THR A 63 -1.953 -2.364 -11.841 1.00 0.00 H new ATOM 0 HA THR A 63 -1.352 -5.100 -12.195 1.00 0.00 H new ATOM 0 HB THR A 63 -0.064 -2.652 -11.720 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.818 -3.944 -12.349 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.748 -3.275 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.159 -3.186 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.866 -4.769 -9.760 1.00 0.00 H new ATOM 974 N LEU A 64 -2.229 -4.172 -9.203 1.00 0.00 N ATOM 975 CA LEU A 64 -2.575 -4.643 -7.870 1.00 0.00 C ATOM 976 C LEU A 64 -3.712 -5.653 -7.939 1.00 0.00 C ATOM 977 O LEU A 64 -3.758 -6.606 -7.162 1.00 0.00 O ATOM 978 CB LEU A 64 -2.973 -3.462 -6.980 1.00 0.00 C ATOM 979 CG LEU A 64 -1.921 -3.036 -5.956 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.437 -1.879 -5.114 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.534 -4.210 -5.069 1.00 0.00 C ATOM 0 H LEU A 64 -2.514 -3.212 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.702 -5.133 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.203 -2.608 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.890 -3.720 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.032 -2.703 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.676 -1.588 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.665 -1.032 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.340 -2.187 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.784 -3.888 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.416 -4.573 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.125 -5.011 -5.684 1.00 0.00 H new ATOM 993 N MET A 65 -4.626 -5.437 -8.880 1.00 0.00 N ATOM 994 CA MET A 65 -5.763 -6.332 -9.057 1.00 0.00 C ATOM 995 C MET A 65 -5.284 -7.743 -9.377 1.00 0.00 C ATOM 996 O MET A 65 -5.799 -8.723 -8.837 1.00 0.00 O ATOM 997 CB MET A 65 -6.675 -5.824 -10.174 1.00 0.00 C ATOM 998 CG MET A 65 -7.471 -4.586 -9.794 1.00 0.00 C ATOM 999 SD MET A 65 -8.327 -4.769 -8.218 1.00 0.00 S ATOM 1000 CE MET A 65 -7.062 -4.213 -7.078 1.00 0.00 C ATOM 0 H MET A 65 -4.601 -4.651 -9.530 1.00 0.00 H new ATOM 0 HA MET A 65 -6.329 -6.355 -8.126 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.070 -5.601 -11.053 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.366 -6.618 -10.456 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.800 -3.729 -9.741 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.199 -4.373 -10.576 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.531 -3.845 -6.165 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.399 -5.044 -6.836 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.485 -3.411 -7.538 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.288 -7.837 -10.251 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.728 -9.126 -10.636 1.00 0.00 C ATOM 1012 C GLU A 66 -2.792 -9.644 -9.550 1.00 0.00 C ATOM 1013 O GLU A 66 -2.738 -10.843 -9.278 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.976 -9.007 -11.963 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.137 -7.743 -12.074 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.319 -7.699 -13.350 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.556 -8.657 -13.600 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.441 -6.707 -14.099 1.00 0.00 O ATOM 0 H GLU A 66 -3.852 -7.035 -10.706 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.548 -9.834 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.328 -9.875 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.695 -9.030 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.791 -6.872 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.469 -7.678 -11.215 1.00 0.00 H new ATOM 1025 N TYR A 67 -2.057 -8.725 -8.932 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.121 -9.075 -7.870 1.00 0.00 C ATOM 1027 C TYR A 67 -1.854 -9.696 -6.685 1.00 0.00 C ATOM 1028 O TYR A 67 -1.265 -10.433 -5.893 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.355 -7.833 -7.414 1.00 0.00 C ATOM 1030 CG TYR A 67 0.013 -7.851 -5.947 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.254 -8.312 -5.527 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.883 -7.408 -4.982 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.595 -8.330 -4.188 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.551 -7.423 -3.640 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.687 -7.885 -3.248 1.00 0.00 C ATOM 1036 OH TYR A 67 1.022 -7.900 -1.914 1.00 0.00 O ATOM 0 H TYR A 67 -2.092 -7.729 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.416 -9.807 -8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.555 -7.740 -8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.959 -6.949 -7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.965 -8.663 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.854 -7.046 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.565 -8.690 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.258 -7.074 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 67 0.273 -7.554 -1.385 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.143 -9.393 -6.572 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.960 -9.920 -5.484 1.00 0.00 C ATOM 1048 C LEU A 68 -4.030 -11.441 -5.545 1.00 0.00 C ATOM 1049 O LEU A 68 -4.403 -12.095 -4.572 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.370 -9.330 -5.547 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.504 -7.910 -4.989 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.882 -7.346 -5.297 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.242 -7.900 -3.492 1.00 0.00 C ATOM 0 H LEU A 68 -3.645 -8.786 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.495 -9.633 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.701 -9.329 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.046 -9.985 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.759 -7.277 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.960 -6.336 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.031 -7.318 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.644 -7.979 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.341 -6.883 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.963 -8.546 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.233 -8.263 -3.297 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.663 -12.000 -6.694 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.683 -13.445 -6.883 1.00 0.00 C ATOM 1067 C GLU A 69 -2.741 -14.133 -5.898 1.00 0.00 C ATOM 1068 O GLU A 69 -3.175 -14.668 -4.879 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.288 -13.797 -8.317 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.185 -14.844 -8.954 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.799 -15.148 -10.390 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.748 -14.645 -10.840 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.546 -15.892 -11.061 1.00 0.00 O ATOM 0 H GLU A 69 -3.348 -11.473 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.697 -13.799 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.312 -12.892 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.260 -14.159 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.139 -15.762 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.218 -14.498 -8.925 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.449 -14.115 -6.212 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.446 -14.734 -5.357 1.00 0.00 C ATOM 1082 C ASN A 70 0.540 -13.696 -4.833 1.00 0.00 C ATOM 1083 O ASN A 70 1.546 -13.400 -5.476 1.00 0.00 O ATOM 1084 CB ASN A 70 0.303 -15.826 -6.124 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.438 -17.149 -6.121 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.416 -17.885 -5.136 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.102 -17.456 -7.231 1.00 0.00 N ATOM 0 H ASN A 70 -1.073 -13.678 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.958 -15.183 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.458 -15.502 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.290 -15.965 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.621 -18.332 -7.289 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.093 -16.815 -8.025 1.00 0.00 H new ATOM 1094 N PRO A 71 0.257 -13.129 -3.650 1.00 0.00 N ATOM 1095 CA PRO A 71 1.119 -12.117 -3.030 1.00 0.00 C ATOM 1096 C PRO A 71 2.575 -12.562 -2.960 1.00 0.00 C ATOM 1097 O PRO A 71 3.490 -11.742 -3.041 1.00 0.00 O ATOM 1098 CB PRO A 71 0.534 -11.968 -1.624 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.894 -12.368 -1.765 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.924 -13.434 -2.826 1.00 0.00 C ATOM 0 HA PRO A 71 1.134 -11.188 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.055 -12.605 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.625 -10.943 -1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.288 -12.746 -0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.511 -11.516 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.865 -14.433 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.843 -13.393 -3.411 1.00 0.00 H new ATOM 1108 N LYS A 72 2.785 -13.864 -2.808 1.00 0.00 N ATOM 1109 CA LYS A 72 4.129 -14.420 -2.727 1.00 0.00 C ATOM 1110 C LYS A 72 4.748 -14.550 -4.114 1.00 0.00 C ATOM 1111 O LYS A 72 5.971 -14.576 -4.260 1.00 0.00 O ATOM 1112 CB LYS A 72 4.100 -15.785 -2.037 1.00 0.00 C ATOM 1113 CG LYS A 72 4.565 -16.927 -2.928 1.00 0.00 C ATOM 1114 CD LYS A 72 6.074 -17.103 -2.863 1.00 0.00 C ATOM 1115 CE LYS A 72 6.722 -16.857 -4.216 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.557 -18.011 -4.651 1.00 0.00 N ATOM 0 H LYS A 72 2.039 -14.556 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 72 4.742 -13.738 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.731 -15.748 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.085 -15.990 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.076 -17.852 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.264 -16.733 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.490 -16.414 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.310 -18.112 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.948 -16.668 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.340 -15.961 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.981 -17.803 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.311 -18.176 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.963 -18.861 -4.725 1.00 0.00 H new ATOM 1130 N LYS A 73 3.897 -14.633 -5.130 1.00 0.00 N ATOM 1131 CA LYS A 73 4.357 -14.759 -6.507 1.00 0.00 C ATOM 1132 C LYS A 73 5.007 -13.465 -6.985 1.00 0.00 C ATOM 1133 O LYS A 73 5.914 -13.484 -7.817 1.00 0.00 O ATOM 1134 CB LYS A 73 3.192 -15.129 -7.427 1.00 0.00 C ATOM 1135 CG LYS A 73 2.418 -13.926 -7.940 1.00 0.00 C ATOM 1136 CD LYS A 73 2.909 -13.494 -9.312 1.00 0.00 C ATOM 1137 CE LYS A 73 3.167 -14.688 -10.216 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.040 -15.661 -10.186 1.00 0.00 N ATOM 0 H LYS A 73 2.883 -14.615 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 73 5.103 -15.553 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.576 -15.693 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.510 -15.787 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.357 -14.169 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.521 -13.099 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.170 -12.840 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.825 -12.913 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.321 -14.343 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.085 -15.186 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.901 -16.061 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.260 -16.426 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.171 -15.176 -9.884 1.00 0.00 H new ATOM 1152 N TYR A 74 4.538 -12.341 -6.452 1.00 0.00 N ATOM 1153 CA TYR A 74 5.073 -11.037 -6.826 1.00 0.00 C ATOM 1154 C TYR A 74 6.356 -10.737 -6.056 1.00 0.00 C ATOM 1155 O TYR A 74 7.336 -10.260 -6.628 1.00 0.00 O ATOM 1156 CB TYR A 74 4.038 -9.942 -6.566 1.00 0.00 C ATOM 1157 CG TYR A 74 3.209 -9.592 -7.782 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.224 -10.454 -8.246 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.415 -8.401 -8.466 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.464 -10.137 -9.357 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.661 -8.077 -9.578 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.687 -8.949 -10.018 1.00 0.00 C ATOM 1163 OH TYR A 74 0.935 -8.629 -11.125 1.00 0.00 O ATOM 0 H TYR A 74 3.789 -12.307 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 74 5.305 -11.058 -7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.374 -10.264 -5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.550 -9.046 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.049 -11.387 -7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.177 -7.717 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.700 -10.817 -9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.833 -7.147 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 74 1.218 -7.757 -11.472 1.00 0.00 H new ATOM 1173 N ILE A 75 6.344 -11.020 -4.757 1.00 0.00 N ATOM 1174 CA ILE A 75 7.508 -10.782 -3.912 1.00 0.00 C ATOM 1175 C ILE A 75 7.800 -11.992 -3.032 1.00 0.00 C ATOM 1176 O ILE A 75 7.464 -12.007 -1.848 1.00 0.00 O ATOM 1177 CB ILE A 75 7.311 -9.545 -3.016 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.356 -8.267 -3.856 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.369 -9.507 -1.925 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.405 -8.299 -4.946 1.00 0.00 C ATOM 0 H ILE A 75 5.541 -11.414 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 75 8.353 -10.605 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 75 6.332 -9.611 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.378 -8.104 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.550 -7.418 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.216 -8.627 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.292 -10.405 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.359 -9.462 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.381 -7.362 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.390 -8.431 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.200 -9.128 -5.624 1.00 0.00 H new ATOM 1192 N PRO A 76 8.433 -13.025 -3.606 1.00 0.00 N ATOM 1193 CA PRO A 76 8.776 -14.252 -2.879 1.00 0.00 C ATOM 1194 C PRO A 76 9.666 -13.979 -1.671 1.00 0.00 C ATOM 1195 O PRO A 76 10.639 -13.231 -1.763 1.00 0.00 O ATOM 1196 CB PRO A 76 9.528 -15.092 -3.916 1.00 0.00 C ATOM 1197 CG PRO A 76 9.109 -14.542 -5.237 1.00 0.00 C ATOM 1198 CD PRO A 76 8.861 -13.078 -5.011 1.00 0.00 C ATOM 0 HA PRO A 76 7.890 -14.744 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.607 -15.013 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.272 -16.148 -3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.884 -14.696 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.210 -15.039 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.760 -12.486 -5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.093 -12.691 -5.681 1.00 0.00 H new ATOM 1206 N GLY A 77 9.328 -14.593 -0.542 1.00 0.00 N ATOM 1207 CA GLY A 77 10.109 -14.404 0.666 1.00 0.00 C ATOM 1208 C GLY A 77 9.412 -13.519 1.679 1.00 0.00 C ATOM 1209 O GLY A 77 9.770 -13.518 2.857 1.00 0.00 O ATOM 0 H GLY A 77 8.528 -15.218 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.314 -15.375 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.072 -13.964 0.406 1.00 0.00 H new ATOM 1213 N THR A 78 8.418 -12.763 1.225 1.00 0.00 N ATOM 1214 CA THR A 78 7.677 -11.871 2.109 1.00 0.00 C ATOM 1215 C THR A 78 6.344 -12.491 2.519 1.00 0.00 C ATOM 1216 O THR A 78 5.559 -12.918 1.674 1.00 0.00 O ATOM 1217 CB THR A 78 7.435 -10.526 1.423 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.744 -9.456 2.298 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.006 -10.339 0.958 1.00 0.00 C ATOM 0 H THR A 78 8.108 -12.750 0.253 1.00 0.00 H new ATOM 0 HA THR A 78 8.275 -11.713 3.007 1.00 0.00 H new ATOM 0 HB THR A 78 8.087 -10.525 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.944 -9.208 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.903 -9.365 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.750 -11.122 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.334 -10.396 1.815 1.00 0.00 H new ATOM 1227 N LYS A 79 6.097 -12.533 3.825 1.00 0.00 N ATOM 1228 CA LYS A 79 4.860 -13.098 4.353 1.00 0.00 C ATOM 1229 C LYS A 79 3.942 -11.998 4.874 1.00 0.00 C ATOM 1230 O LYS A 79 4.396 -11.040 5.499 1.00 0.00 O ATOM 1231 CB LYS A 79 5.167 -14.095 5.470 1.00 0.00 C ATOM 1232 CG LYS A 79 4.084 -15.144 5.664 1.00 0.00 C ATOM 1233 CD LYS A 79 3.462 -15.553 4.338 1.00 0.00 C ATOM 1234 CE LYS A 79 4.520 -15.983 3.336 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.415 -17.036 3.891 1.00 0.00 N ATOM 0 H LYS A 79 6.738 -12.182 4.537 1.00 0.00 H new ATOM 0 HA LYS A 79 4.350 -13.619 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.110 -14.595 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.305 -13.550 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.508 -16.020 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.311 -14.752 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.760 -16.371 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.891 -14.719 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.035 -16.357 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.115 -15.118 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.807 -17.604 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.191 -16.589 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.872 -17.652 4.529 1.00 0.00 H new ATOM 1249 N MET A 80 2.644 -12.143 4.617 1.00 0.00 N ATOM 1250 CA MET A 80 1.665 -11.160 5.066 1.00 0.00 C ATOM 1251 C MET A 80 0.875 -11.687 6.259 1.00 0.00 C ATOM 1252 O MET A 80 0.087 -12.624 6.130 1.00 0.00 O ATOM 1253 CB MET A 80 0.710 -10.802 3.925 1.00 0.00 C ATOM 1254 CG MET A 80 1.247 -9.724 2.999 1.00 0.00 C ATOM 1255 SD MET A 80 1.077 -8.068 3.690 1.00 0.00 S ATOM 1256 CE MET A 80 -0.319 -7.451 2.755 1.00 0.00 C ATOM 0 H MET A 80 2.248 -12.929 4.102 1.00 0.00 H new ATOM 0 HA MET A 80 2.202 -10.263 5.375 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.501 -11.699 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.238 -10.468 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.299 -9.920 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.719 -9.772 2.047 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.069 -6.480 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.558 -8.151 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.181 -7.346 3.414 1.00 0.00 H new ATOM 1266 N ILE A 81 1.094 -11.081 7.422 1.00 0.00 N ATOM 1267 CA ILE A 81 0.406 -11.488 8.640 1.00 0.00 C ATOM 1268 C ILE A 81 -0.646 -10.464 9.051 1.00 0.00 C ATOM 1269 O ILE A 81 -0.366 -9.268 9.128 1.00 0.00 O ATOM 1270 CB ILE A 81 1.395 -11.683 9.807 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.515 -12.642 9.399 1.00 0.00 C ATOM 1272 CG2 ILE A 81 0.666 -12.201 11.037 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.571 -11.999 8.528 1.00 0.00 C ATOM 0 H ILE A 81 1.744 -10.305 7.545 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.082 -12.438 8.421 1.00 0.00 H new ATOM 0 HB ILE A 81 1.840 -10.719 10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.988 -13.039 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.082 -13.489 8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.377 -12.334 11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.099 -11.484 11.336 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.196 -13.157 10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.334 -12.736 8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.111 -11.627 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.031 -11.170 9.066 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.859 -10.940 9.318 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.952 -10.063 9.725 1.00 0.00 C ATOM 1287 C PHE A 82 -3.867 -9.741 8.550 1.00 0.00 C ATOM 1288 O PHE A 82 -3.587 -10.113 7.410 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.398 -8.768 10.322 1.00 0.00 C ATOM 1290 CG PHE A 82 -3.266 -8.184 11.399 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.966 -7.009 11.181 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.381 -8.810 12.631 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -4.766 -6.468 12.171 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.179 -8.274 13.625 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.872 -7.102 13.394 1.00 0.00 C ATOM 0 H PHE A 82 -2.109 -11.927 9.260 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.537 -10.586 10.481 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.406 -8.961 10.731 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.277 -8.033 9.526 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.886 -6.509 10.227 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.841 -9.727 12.816 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.307 -5.551 11.988 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.260 -8.771 14.580 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.496 -6.681 14.169 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.965 -9.049 8.839 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.929 -8.672 7.812 1.00 0.00 C ATOM 1307 C ALA A 83 -7.356 -8.781 8.335 1.00 0.00 C ATOM 1308 O ALA A 83 -8.021 -9.799 8.144 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.753 -9.539 6.575 1.00 0.00 C ATOM 0 H ALA A 83 -5.209 -8.737 9.779 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.745 -7.632 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.480 -9.245 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.745 -9.409 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.907 -10.585 6.839 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.819 -7.727 8.997 1.00 0.00 N ATOM 1316 CA GLY A 84 -9.165 -7.726 9.540 1.00 0.00 C ATOM 1317 C GLY A 84 -10.219 -7.462 8.483 1.00 0.00 C ATOM 1318 O GLY A 84 -11.254 -6.859 8.767 1.00 0.00 O ATOM 0 H GLY A 84 -7.287 -6.874 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.363 -8.688 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.238 -6.967 10.319 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.956 -7.914 7.262 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.890 -7.723 6.160 1.00 0.00 C ATOM 1324 C ILE A 85 -11.113 -9.026 5.398 1.00 0.00 C ATOM 1325 O ILE A 85 -10.166 -9.653 4.929 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.390 -6.647 5.177 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.275 -5.295 5.884 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -11.324 -6.548 3.980 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.597 -4.762 6.390 1.00 0.00 C ATOM 0 H ILE A 85 -9.104 -8.415 7.011 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.832 -7.393 6.598 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.401 -6.934 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.586 -5.391 6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.840 -4.570 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.957 -5.784 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.360 -7.509 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.324 -6.281 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.438 -3.801 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.282 -4.634 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.024 -5.467 7.103 1.00 0.00 H new ATOM 1341 N LYS A 86 -12.377 -9.422 5.279 1.00 0.00 N ATOM 1342 CA LYS A 86 -12.727 -10.649 4.572 1.00 0.00 C ATOM 1343 C LYS A 86 -13.714 -10.362 3.449 1.00 0.00 C ATOM 1344 O LYS A 86 -14.737 -11.035 3.318 1.00 0.00 O ATOM 1345 CB LYS A 86 -13.323 -11.670 5.542 1.00 0.00 C ATOM 1346 CG LYS A 86 -14.374 -11.084 6.472 1.00 0.00 C ATOM 1347 CD LYS A 86 -15.172 -12.175 7.166 1.00 0.00 C ATOM 1348 CE LYS A 86 -16.496 -11.646 7.694 1.00 0.00 C ATOM 1349 NZ LYS A 86 -17.653 -12.414 7.160 1.00 0.00 N ATOM 0 H LYS A 86 -13.173 -8.913 5.662 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.817 -11.062 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.769 -12.484 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.521 -12.102 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.890 -10.454 7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.048 -10.444 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.357 -12.992 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.589 -12.586 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.499 -11.696 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.601 -10.596 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.537 -12.022 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.666 -12.346 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.566 -13.412 7.440 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.399 -9.357 2.642 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.257 -8.977 1.530 1.00 0.00 C ATOM 1365 C LYS A 87 -13.473 -8.189 0.484 1.00 0.00 C ATOM 1366 O LYS A 87 -12.967 -7.100 0.760 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.434 -8.146 2.035 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.616 -8.986 2.493 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.627 -8.152 3.263 1.00 0.00 C ATOM 1370 CE LYS A 87 -19.010 -8.784 3.235 1.00 0.00 C ATOM 1371 NZ LYS A 87 -20.066 -7.829 3.666 1.00 0.00 N ATOM 0 H LYS A 87 -12.556 -8.791 2.738 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.635 -9.887 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.099 -7.522 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.761 -7.474 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.100 -9.438 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.261 -9.802 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.297 -8.042 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.675 -7.151 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.228 -9.135 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.023 -9.658 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.993 -8.299 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.873 -7.513 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.071 -7.007 3.029 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.375 -8.745 -0.719 1.00 0.00 N ATOM 1386 CA LYS A 88 -12.653 -8.095 -1.805 1.00 0.00 C ATOM 1387 C LYS A 88 -13.100 -6.648 -1.967 1.00 0.00 C ATOM 1388 O LYS A 88 -12.288 -5.764 -2.243 1.00 0.00 O ATOM 1389 CB LYS A 88 -12.869 -8.856 -3.115 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.703 -8.094 -4.133 1.00 0.00 C ATOM 1391 CD LYS A 88 -15.189 -8.236 -3.853 1.00 0.00 C ATOM 1392 CE LYS A 88 -16.003 -8.214 -5.137 1.00 0.00 C ATOM 1393 NZ LYS A 88 -17.445 -8.490 -4.887 1.00 0.00 N ATOM 0 H LYS A 88 -13.787 -9.645 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.592 -8.103 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.899 -9.089 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.356 -9.806 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.427 -7.040 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.483 -8.464 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.372 -9.169 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.516 -7.427 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.898 -7.241 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.607 -8.956 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.964 -8.466 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.548 -9.429 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.831 -7.768 -4.246 1.00 0.00 H new ATOM 1407 N THR A 89 -14.395 -6.408 -1.794 1.00 0.00 N ATOM 1408 CA THR A 89 -14.949 -5.065 -1.922 1.00 0.00 C ATOM 1409 C THR A 89 -14.372 -4.134 -0.859 1.00 0.00 C ATOM 1410 O THR A 89 -14.329 -2.918 -1.043 1.00 0.00 O ATOM 1411 CB THR A 89 -16.473 -5.106 -1.804 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.055 -3.975 -2.428 1.00 0.00 O ATOM 1413 CG2 THR A 89 -16.963 -5.143 -0.373 1.00 0.00 C ATOM 0 H THR A 89 -15.081 -7.127 -1.565 1.00 0.00 H new ATOM 0 HA THR A 89 -14.677 -4.680 -2.905 1.00 0.00 H new ATOM 0 HB THR A 89 -16.775 -6.029 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.030 -4.020 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.053 -5.171 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 89 -16.572 -6.032 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 89 -16.618 -4.253 0.153 1.00 0.00 H new ATOM 1421 N GLU A 90 -13.923 -4.715 0.248 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.341 -3.938 1.337 1.00 0.00 C ATOM 1423 C GLU A 90 -11.946 -3.462 0.961 1.00 0.00 C ATOM 1424 O GLU A 90 -11.602 -2.293 1.139 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.286 -4.772 2.616 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.646 -5.271 3.079 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.415 -4.222 3.859 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.152 -3.436 3.230 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.281 -4.190 5.101 1.00 0.00 O ATOM 0 H GLU A 90 -13.951 -5.721 0.415 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.972 -3.067 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.631 -5.628 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.838 -4.174 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.232 -5.576 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.512 -6.156 3.701 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.148 -4.384 0.437 1.00 0.00 N ATOM 1437 CA ARG A 91 -9.786 -4.080 0.025 1.00 0.00 C ATOM 1438 C ARG A 91 -9.777 -3.122 -1.162 1.00 0.00 C ATOM 1439 O ARG A 91 -9.017 -2.154 -1.184 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.054 -5.366 -0.340 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.650 -6.272 0.809 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.293 -6.910 0.559 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.324 -8.356 0.761 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.532 -9.206 0.118 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.651 -8.754 -0.765 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.619 -10.507 0.356 1.00 0.00 N ATOM 0 H ARG A 91 -11.424 -5.354 0.287 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.275 -3.598 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.689 -5.938 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.155 -5.099 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.619 -5.697 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.401 -7.051 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.972 -6.693 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.555 -6.466 1.227 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.991 -8.734 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.582 -7.753 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.043 -9.407 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.295 -10.857 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.010 -11.158 -0.139 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.625 -3.398 -2.148 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.713 -2.558 -3.338 1.00 0.00 C ATOM 1462 C GLU A 92 -11.030 -1.115 -2.964 1.00 0.00 C ATOM 1463 O GLU A 92 -10.514 -0.178 -3.573 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.780 -3.096 -4.292 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.644 -4.581 -4.586 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.313 -5.145 -4.130 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.290 -4.446 -4.278 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.295 -6.288 -3.624 1.00 0.00 O ATOM 0 H GLU A 92 -11.260 -4.196 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.745 -2.580 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.765 -2.908 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.729 -2.543 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.452 -5.121 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.757 -4.748 -5.657 1.00 0.00 H new ATOM 1475 N ASP A 93 -11.883 -0.941 -1.958 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.266 0.391 -1.506 1.00 0.00 C ATOM 1477 C ASP A 93 -11.040 1.186 -1.064 1.00 0.00 C ATOM 1478 O ASP A 93 -10.867 2.343 -1.446 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.267 0.294 -0.355 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.413 1.278 -0.498 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -15.333 1.244 0.345 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -14.386 2.082 -1.454 1.00 0.00 O ATOM 0 H ASP A 93 -12.321 -1.704 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.735 0.911 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.666 -0.719 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.751 0.477 0.588 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.192 0.553 -0.262 1.00 0.00 N ATOM 1488 CA GLY A 94 -8.991 1.214 0.212 1.00 0.00 C ATOM 1489 C GLY A 94 -8.109 1.686 -0.926 1.00 0.00 C ATOM 1490 O GLY A 94 -7.451 2.722 -0.825 1.00 0.00 O ATOM 0 H GLY A 94 -10.314 -0.404 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.268 2.067 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.428 0.529 0.846 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.098 0.924 -2.015 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.295 1.266 -3.180 1.00 0.00 C ATOM 1496 C ILE A 95 -7.689 2.627 -3.739 1.00 0.00 C ATOM 1497 O ILE A 95 -6.832 3.455 -4.049 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.437 0.209 -4.291 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -7.214 -1.192 -3.723 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -6.458 0.495 -5.420 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.254 -2.030 -4.541 1.00 0.00 C ATOM 0 H ILE A 95 -8.638 0.064 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.257 1.298 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.449 0.258 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.833 -1.106 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.172 -1.707 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.569 -0.260 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.663 1.480 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.439 0.470 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.143 -3.011 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.644 -2.147 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.283 -1.536 -4.581 1.00 0.00 H new ATOM 1513 N ALA A 96 -8.994 2.858 -3.859 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.497 4.124 -4.374 1.00 0.00 C ATOM 1515 C ALA A 96 -8.978 5.290 -3.544 1.00 0.00 C ATOM 1516 O ALA A 96 -8.578 6.323 -4.081 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.019 4.119 -4.392 1.00 0.00 C ATOM 0 H ALA A 96 -9.719 2.186 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.136 4.247 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.381 5.071 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.373 3.309 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.394 3.973 -3.379 1.00 0.00 H new ATOM 1523 N TYR A 97 -8.975 5.110 -2.226 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.494 6.141 -1.316 1.00 0.00 C ATOM 1525 C TYR A 97 -6.998 6.363 -1.505 1.00 0.00 C ATOM 1526 O TYR A 97 -6.513 7.492 -1.438 1.00 0.00 O ATOM 1527 CB TYR A 97 -8.789 5.751 0.135 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.107 6.640 1.150 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -8.846 7.492 1.964 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -6.727 6.628 1.298 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -8.226 8.306 2.893 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -6.101 7.438 2.224 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.854 8.275 3.020 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.233 9.084 3.945 1.00 0.00 O ATOM 0 H TYR A 97 -9.300 4.260 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.016 7.071 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.866 5.785 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.474 4.720 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.921 7.518 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.133 5.973 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.814 8.963 3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.026 7.416 2.325 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.264 8.940 3.908 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.274 5.274 -1.744 1.00 0.00 N ATOM 1545 CA LEU A 98 -4.832 5.342 -1.949 1.00 0.00 C ATOM 1546 C LEU A 98 -4.500 6.132 -3.210 1.00 0.00 C ATOM 1547 O LEU A 98 -3.522 6.879 -3.247 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.247 3.932 -2.050 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.141 3.612 -1.045 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.241 2.168 -0.582 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -1.774 3.886 -1.653 1.00 0.00 C ATOM 0 H LEU A 98 -6.663 4.333 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.390 5.853 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.054 3.211 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.853 3.791 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.267 4.259 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.445 1.959 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.208 2.005 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.141 1.503 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.998 3.653 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.638 3.265 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.704 4.937 -1.933 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.319 5.960 -4.243 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.112 6.656 -5.507 1.00 0.00 C ATOM 1565 C LYS A 99 -5.131 8.167 -5.305 1.00 0.00 C ATOM 1566 O LYS A 99 -4.293 8.884 -5.851 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.185 6.250 -6.517 1.00 0.00 C ATOM 1568 CG LYS A 99 -6.821 4.902 -6.223 1.00 0.00 C ATOM 1569 CD LYS A 99 -7.435 4.291 -7.473 1.00 0.00 C ATOM 1570 CE LYS A 99 -8.930 4.557 -7.546 1.00 0.00 C ATOM 1571 NZ LYS A 99 -9.410 4.647 -8.953 1.00 0.00 N ATOM 0 H LYS A 99 -6.132 5.344 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.133 6.373 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.963 7.013 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.743 6.224 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.070 4.225 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.590 5.020 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.948 4.702 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.255 3.216 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.466 3.761 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.159 5.486 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.424 4.879 -8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.881 5.390 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.261 3.735 -9.430 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.091 8.644 -4.519 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.215 10.071 -4.248 1.00 0.00 C ATOM 1587 C LYS A 100 -5.123 10.534 -3.286 1.00 0.00 C ATOM 1588 O LYS A 100 -4.590 11.657 -3.413 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.593 10.371 -3.654 1.00 0.00 C ATOM 1590 CG LYS A 100 -8.728 10.264 -4.660 1.00 0.00 C ATOM 1591 CD LYS A 100 -9.777 9.262 -4.211 1.00 0.00 C ATOM 1592 CE LYS A 100 -11.145 9.911 -4.073 1.00 0.00 C ATOM 1593 NZ LYS A 100 -11.268 10.681 -2.806 1.00 0.00 N ATOM 0 H LYS A 100 -6.793 8.064 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.102 10.612 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.782 9.682 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.586 11.376 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.191 11.242 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.329 9.965 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.832 8.444 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.481 8.827 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.319 10.575 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.917 9.142 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.151 10.418 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.459 10.465 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.279 11.699 -3.018 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.806 9.647 -2.335 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.789 9.895 -1.319 1.00 0.00 C ATOM 1609 C ALA A 101 -2.451 10.235 -1.950 1.00 0.00 C ATOM 1610 O ALA A 101 -1.641 10.953 -1.365 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.653 8.694 -0.397 1.00 0.00 C ATOM 0 H ALA A 101 -5.253 8.734 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.109 10.754 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.890 8.897 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.606 8.504 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.365 7.819 -0.980 1.00 0.00 H new ATOM 1617 N THR A 102 -2.236 9.736 -3.157 1.00 0.00 N ATOM 1618 CA THR A 102 -1.005 10.019 -3.869 1.00 0.00 C ATOM 1619 C THR A 102 -1.315 11.089 -4.889 1.00 0.00 C ATOM 1620 O THR A 102 -0.445 11.856 -5.302 1.00 0.00 O ATOM 1621 CB THR A 102 -0.470 8.761 -4.555 1.00 0.00 C ATOM 1622 OG1 THR A 102 -0.677 8.826 -5.955 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.111 7.485 -4.054 1.00 0.00 C ATOM 0 H THR A 102 -2.893 9.138 -3.659 1.00 0.00 H new ATOM 0 HA THR A 102 -0.234 10.357 -3.177 1.00 0.00 H new ATOM 0 HB THR A 102 0.593 8.732 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.327 8.013 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.685 6.632 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.924 7.379 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.186 7.523 -4.233 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.595 11.178 -5.228 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.075 12.207 -6.126 1.00 0.00 C ATOM 1633 C ASN A 103 -4.562 12.462 -5.900 1.00 0.00 C ATOM 1634 O ASN A 103 -5.404 11.628 -6.226 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.829 11.801 -7.581 1.00 0.00 C ATOM 1636 CG ASN A 103 -4.004 11.052 -8.178 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -4.887 11.648 -8.793 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -4.021 9.736 -7.998 1.00 0.00 N ATOM 0 H ASN A 103 -3.319 10.544 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.527 13.126 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.630 12.693 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.938 11.176 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.787 9.179 -8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.268 9.282 -7.481 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.871 13.632 -5.364 1.00 0.00 N ATOM 1646 CA GLU A 104 -6.249 14.035 -5.104 1.00 0.00 C ATOM 1647 C GLU A 104 -6.326 14.952 -3.887 1.00 0.00 C ATOM 1648 O GLU A 104 -7.453 15.202 -3.407 1.00 0.00 O ATOM 1649 CB GLU A 104 -7.132 12.810 -4.888 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.701 12.235 -6.175 1.00 0.00 C ATOM 1651 CD GLU A 104 -7.285 13.026 -7.399 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -6.067 13.141 -7.648 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -8.180 13.530 -8.113 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.261 15.409 -3.423 1.00 0.00 O ATOM 0 H GLU A 104 -4.177 14.330 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.610 14.582 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.552 12.039 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.954 13.078 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.371 11.202 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.789 12.217 -6.111 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.679 -4.830 3.300 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.431 -4.925 1.326 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.010 -3.147 1.048 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.275 -5.679 4.845 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.445 -5.910 5.888 1.00 0.00 C HETATM 1667 NA HEC A 201 2.118 -4.365 1.442 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.373 -4.142 0.976 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.445 -2.972 0.135 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.207 -2.427 0.018 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.367 -3.334 0.894 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.770 -1.185 -0.739 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.686 -2.386 -0.636 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.483 -0.900 -1.115 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.809 -0.302 -1.552 1.00 0.00 C HETATM 1676 O1A HEC A 201 5.989 0.881 -1.315 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.598 -1.048 -2.111 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.219 -4.555 2.951 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.822 -3.705 2.020 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.238 -3.488 2.218 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.589 -4.246 3.374 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.367 -4.860 3.750 1.00 0.00 C HETATM 1683 CMB HEC A 201 -3.160 -2.621 1.378 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.967 -4.318 3.915 1.00 0.00 C HETATM 1685 CBB HEC A 201 -5.155 -4.270 2.971 1.00 0.00 C HETATM 1686 NC HEC A 201 1.225 -5.564 5.052 1.00 0.00 N HETATM 1687 C1C HEC A 201 -0.023 -5.980 5.495 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.073 -6.762 6.713 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.461 -6.832 7.002 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.083 -6.086 5.983 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.067 -7.389 7.505 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.081 -7.503 8.257 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.460 -8.946 8.549 1.00 0.00 C HETATM 1694 ND HEC A 201 3.566 -5.330 3.563 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.155 -5.783 4.719 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.551 -6.083 4.548 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.826 -5.806 3.263 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.612 -5.334 2.628 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.510 -6.604 5.609 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.146 -5.929 2.506 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.047 -6.809 1.269 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.656 -7.425 1.162 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.196 -7.564 0.040 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.103 -7.731 2.208 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.566 -5.890 6.431 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.152 -7.563 5.984 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.500 -6.733 5.173 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.751 -6.608 7.839 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.604 -8.096 6.872 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.663 -7.912 8.372 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.806 -1.590 1.395 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -3.166 -2.985 0.351 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -4.171 -2.665 1.784 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.299 -0.316 -0.348 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.001 -1.304 -1.798 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.696 -1.042 -0.615 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.259 -6.219 0.378 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.798 -7.598 1.315 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.574 -9.577 8.474 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.206 -9.280 7.827 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.872 -9.017 9.556 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -5.139 -3.333 2.414 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -5.101 -5.107 2.275 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -6.079 -4.335 3.545 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.773 -0.871 -1.942 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.057 -0.305 -0.307 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.482 -4.935 2.211 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.904 -6.337 3.174 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.562 -2.434 0.011 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 4.895 -3.013 -1.502 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.008 -5.868 6.820 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.188 -6.122 5.242 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.470 -2.486 0.326 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.146 -5.233 0.563 1.00 0.00 H new