USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=32 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 102 THR OG1 : rot -92:sc= -0.44 USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -4.37! C(o=-6.3!,f=-4.8!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 162:sc= -2.57! (180deg=-3.23!) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.317 K(o=-2.9,f=-5.4!) 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+ -172:sc= -1.17 (180deg=-1.43) USER MOD Single : A 16 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.021) USER MOD Single : A 18 HIS : no HE2:sc= -19.8! C(o=-20!,f=-23!) USER MOD Single : A 19 THR OG1 : rot -120:sc= -4.1! USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -3.67! (180deg=-8.31!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.229 K(o=0.23,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0886 (180deg=-0.758) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 31 ASN : amide:sc= -4.49! C(o=-4.5!,f=-9.4!) USER MOD Single : A 33 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= -4.49! (180deg=-8.55!) USER MOD Single : A 40 THR OG1 : rot 42:sc= -4.42! 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= 0.0612 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.29 F(o=-2.8!,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -3.92! (180deg=-9.1!) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.04! C(o=-9.1!,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 59:sc= 0.077! 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 174:sc= -5.58! (180deg=-5.91!) 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= -0.0277 (180deg=-0.0277) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.473 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 78 THR OG1 : rot -100:sc= -0.775 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.0159 (180deg=-0.16) USER MOD Single : A 80 MET CE :methyl -129:sc= -6.62! (180deg=-11.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.188 (180deg=-0.983) USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -5.08! (180deg=-8.61!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= -9.87! (180deg=-11.6!) USER MOD Single : A 100 LYS NZ :NH3+ 131:sc= -3.94! (180deg=-6.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.624 3.994 -1.071 1.00 0.00 N ATOM 2 CA GLY A 1 -17.240 4.035 -0.521 1.00 0.00 C ATOM 3 C GLY A 1 -16.726 5.452 -0.350 1.00 0.00 C ATOM 4 O GLY A 1 -16.617 6.201 -1.320 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.929 3.005 -1.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.269 4.493 -0.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.641 4.456 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.220 3.526 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.572 3.487 -1.185 1.00 0.00 H new ATOM 10 N ASP A 2 -16.444 5.893 0.864 1.00 0.00 N ATOM 11 CA ASP A 2 -15.939 7.229 1.158 1.00 0.00 C ATOM 12 C ASP A 2 -14.496 7.168 1.648 1.00 0.00 C ATOM 13 O ASP A 2 -14.039 6.133 2.136 1.00 0.00 O ATOM 14 CB ASP A 2 -16.817 7.908 2.210 1.00 0.00 C ATOM 15 CG ASP A 2 -18.297 7.693 1.954 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.652 7.284 0.828 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.090 7.971 2.791 1.00 0.00 O ATOM 0 H ASP A 2 -16.562 5.318 1.698 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.968 7.813 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.562 7.522 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.605 8.977 2.222 1.00 0.00 H new ATOM 22 N VAL A 3 -13.798 8.311 1.503 1.00 0.00 N ATOM 23 CA VAL A 3 -12.406 8.375 1.928 1.00 0.00 C ATOM 24 C VAL A 3 -12.279 8.187 3.411 1.00 0.00 C ATOM 25 O VAL A 3 -11.373 7.507 3.852 1.00 0.00 O ATOM 26 CB VAL A 3 -11.773 9.738 1.561 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.729 10.141 2.591 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.165 9.678 0.168 1.00 0.00 C ATOM 0 H VAL A 3 -14.170 9.174 1.106 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.884 7.571 1.409 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.556 10.496 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.296 11.102 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.198 10.223 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.943 9.386 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.723 10.644 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.394 8.908 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.942 9.439 -0.558 1.00 0.00 H new ATOM 38 N GLU A 4 -13.191 8.802 4.137 1.00 0.00 N ATOM 39 CA GLU A 4 -13.185 8.680 5.590 1.00 0.00 C ATOM 40 C GLU A 4 -13.302 7.219 6.012 1.00 0.00 C ATOM 41 O GLU A 4 -12.565 6.752 6.881 1.00 0.00 O ATOM 42 CB GLU A 4 -14.329 9.493 6.197 1.00 0.00 C ATOM 43 CG GLU A 4 -14.462 9.326 7.701 1.00 0.00 C ATOM 44 CD GLU A 4 -15.797 9.820 8.226 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.573 8.993 8.749 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.064 11.036 8.116 1.00 0.00 O ATOM 0 H GLU A 4 -13.937 9.384 3.757 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.237 9.072 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.175 10.548 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.265 9.198 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.341 8.274 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.657 9.870 8.196 1.00 0.00 H new ATOM 53 N LYS A 5 -14.231 6.502 5.389 1.00 0.00 N ATOM 54 CA LYS A 5 -14.443 5.094 5.700 1.00 0.00 C ATOM 55 C LYS A 5 -13.220 4.266 5.322 1.00 0.00 C ATOM 56 O LYS A 5 -12.850 3.328 6.029 1.00 0.00 O ATOM 57 CB LYS A 5 -15.677 4.568 4.962 1.00 0.00 C ATOM 58 CG LYS A 5 -16.932 5.386 5.217 1.00 0.00 C ATOM 59 CD LYS A 5 -18.139 4.494 5.463 1.00 0.00 C ATOM 60 CE LYS A 5 -19.010 4.383 4.221 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.115 2.977 3.741 1.00 0.00 N ATOM 0 H LYS A 5 -14.848 6.873 4.667 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.604 5.004 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.472 4.556 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.858 3.536 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.776 6.034 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.125 6.034 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.804 3.501 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.728 4.896 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.006 4.767 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.595 5.007 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.717 2.944 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.167 2.618 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.535 2.386 4.487 1.00 0.00 H new ATOM 75 N GLY A 6 -12.597 4.621 4.204 1.00 0.00 N ATOM 76 CA GLY A 6 -11.423 3.893 3.746 1.00 0.00 C ATOM 77 C GLY A 6 -10.266 4.012 4.716 1.00 0.00 C ATOM 78 O GLY A 6 -9.562 3.038 4.969 1.00 0.00 O ATOM 0 H GLY A 6 -12.881 5.397 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.678 2.842 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.119 4.273 2.771 1.00 0.00 H new ATOM 82 N LYS A 7 -10.050 5.156 5.086 1.00 0.00 N ATOM 83 CA LYS A 7 -8.918 5.421 5.917 1.00 0.00 C ATOM 84 C LYS A 7 -9.014 4.648 7.346 1.00 0.00 C ATOM 85 O LYS A 7 -7.998 4.116 7.723 1.00 0.00 O ATOM 86 CB LYS A 7 -8.896 6.934 6.147 1.00 0.00 C ATOM 87 CG LYS A 7 -8.825 7.326 7.614 1.00 0.00 C ATOM 88 CD LYS A 7 -8.085 8.640 7.803 1.00 0.00 C ATOM 89 CE LYS A 7 -6.743 8.634 7.090 1.00 0.00 C ATOM 90 NZ LYS A 7 -5.868 9.748 7.545 1.00 0.00 N ATOM 0 H LYS A 7 -10.621 5.967 4.850 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.009 5.065 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.040 7.360 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.790 7.373 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.834 7.414 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.323 6.540 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.695 9.460 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.932 8.822 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.242 7.683 7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.903 8.714 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.963 9.709 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.335 10.657 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.694 9.658 8.566 1.00 0.00 H new ATOM 104 N LYS A 8 -10.123 4.429 7.966 1.00 0.00 N ATOM 105 CA LYS A 8 -10.496 3.570 9.086 1.00 0.00 C ATOM 106 C LYS A 8 -10.269 2.101 8.743 1.00 0.00 C ATOM 107 O LYS A 8 -9.797 1.320 9.575 1.00 0.00 O ATOM 108 CB LYS A 8 -11.955 3.798 9.470 1.00 0.00 C ATOM 109 CG LYS A 8 -12.639 2.559 10.027 1.00 0.00 C ATOM 110 CD LYS A 8 -13.372 1.791 8.939 1.00 0.00 C ATOM 111 CE LYS A 8 -13.781 0.406 9.414 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.722 -0.607 9.146 1.00 0.00 N ATOM 0 H LYS A 8 -10.951 4.935 7.652 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.863 3.828 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.006 4.595 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.503 4.142 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.897 1.911 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.344 2.850 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.257 2.348 8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.732 1.702 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.993 0.436 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.703 0.108 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.888 -1.447 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.747 -0.878 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.791 -0.204 9.373 1.00 0.00 H new ATOM 126 N ILE A 9 -10.604 1.728 7.513 1.00 0.00 N ATOM 127 CA ILE A 9 -10.438 0.353 7.062 1.00 0.00 C ATOM 128 C ILE A 9 -8.972 -0.054 7.105 1.00 0.00 C ATOM 129 O ILE A 9 -8.639 -1.136 7.576 1.00 0.00 O ATOM 130 CB ILE A 9 -10.972 0.160 5.631 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.472 -0.133 5.656 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.219 -0.962 4.931 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.091 -0.240 4.280 1.00 0.00 C ATOM 0 H ILE A 9 -10.992 2.359 6.811 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.013 -0.278 7.739 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.812 1.083 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.643 -1.065 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.979 0.655 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.608 -1.086 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.159 -0.714 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.350 -1.890 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.157 -0.449 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.952 0.699 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.611 -1.047 3.727 1.00 0.00 H new ATOM 145 N PHE A 10 -8.105 0.825 6.610 1.00 0.00 N ATOM 146 CA PHE A 10 -6.667 0.572 6.593 1.00 0.00 C ATOM 147 C PHE A 10 -6.107 0.496 8.008 1.00 0.00 C ATOM 148 O PHE A 10 -5.202 -0.292 8.292 1.00 0.00 O ATOM 149 CB PHE A 10 -5.947 1.672 5.812 1.00 0.00 C ATOM 150 CG PHE A 10 -4.538 1.911 6.276 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.466 1.687 5.428 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.287 2.362 7.564 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.169 1.906 5.854 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.991 2.582 7.996 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.932 2.354 7.139 1.00 0.00 C ATOM 0 H PHE A 10 -8.376 1.725 6.213 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.500 -0.388 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.933 1.407 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.513 2.599 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.645 1.337 4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.112 2.543 8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.342 1.727 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.808 2.931 9.001 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.920 2.526 7.473 1.00 0.00 H new ATOM 165 N VAL A 11 -6.637 1.336 8.885 1.00 0.00 N ATOM 166 CA VAL A 11 -6.175 1.387 10.265 1.00 0.00 C ATOM 167 C VAL A 11 -6.163 0.007 10.914 1.00 0.00 C ATOM 168 O VAL A 11 -5.162 -0.386 11.515 1.00 0.00 O ATOM 169 CB VAL A 11 -7.056 2.326 11.113 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.710 2.195 12.588 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.903 3.767 10.647 1.00 0.00 C ATOM 0 H VAL A 11 -7.387 1.992 8.666 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.155 1.770 10.233 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.098 2.035 10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.342 2.865 13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.876 1.167 12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.663 2.459 12.741 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.532 4.415 11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.862 4.073 10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.206 3.846 9.603 1.00 0.00 H new ATOM 181 N GLN A 12 -7.265 -0.732 10.804 1.00 0.00 N ATOM 182 CA GLN A 12 -7.328 -2.118 11.432 1.00 0.00 C ATOM 183 C GLN A 12 -6.722 -3.107 10.448 1.00 0.00 C ATOM 184 O GLN A 12 -5.721 -3.776 10.708 1.00 0.00 O ATOM 185 CB GLN A 12 -8.774 -2.502 11.752 1.00 0.00 C ATOM 186 CG GLN A 12 -9.756 -1.350 11.609 1.00 0.00 C ATOM 187 CD GLN A 12 -10.800 -1.354 12.790 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.585 -1.891 13.789 1.00 0.00 O ATOM 189 NE2 GLN A 12 -11.921 -0.677 12.455 1.00 0.00 N ATOM 0 H GLN A 12 -8.111 -0.441 10.314 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.771 -2.128 12.369 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.080 -3.313 11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.822 -2.885 12.771 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.215 -0.404 11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.278 -1.428 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.998 -0.240 11.536 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.690 -0.603 13.121 1.00 0.00 H new ATOM 198 N LYS A 13 -7.181 -2.892 9.256 1.00 0.00 N ATOM 199 CA LYS A 13 -6.612 -3.402 8.047 1.00 0.00 C ATOM 200 C LYS A 13 -5.280 -4.102 8.225 1.00 0.00 C ATOM 201 O LYS A 13 -5.080 -5.193 7.839 1.00 0.00 O ATOM 202 CB LYS A 13 -6.455 -2.278 7.027 1.00 0.00 C ATOM 203 CG LYS A 13 -7.104 -2.553 5.699 1.00 0.00 C ATOM 204 CD LYS A 13 -7.292 -4.021 5.512 1.00 0.00 C ATOM 205 CE LYS A 13 -7.643 -4.350 4.070 1.00 0.00 C ATOM 206 NZ LYS A 13 -7.879 -3.123 3.260 1.00 0.00 N ATOM 0 H LYS A 13 -8.011 -2.323 9.090 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.312 -4.159 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.879 -1.364 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.393 -2.093 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.067 -2.046 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.487 -2.153 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.380 -4.546 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.083 -4.376 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.835 -4.930 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.535 -4.976 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.246 -3.390 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.571 -2.516 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.984 -2.605 3.146 1.00 0.00 H new ATOM 220 N CYS A 14 -4.361 -3.378 8.841 1.00 0.00 N ATOM 221 CA CYS A 14 -2.986 -3.753 8.713 1.00 0.00 C ATOM 222 C CYS A 14 -2.015 -2.727 9.113 1.00 0.00 C ATOM 223 O CYS A 14 -0.839 -2.910 8.799 1.00 0.00 O ATOM 224 CB CYS A 14 -2.566 -4.649 7.476 1.00 0.00 C ATOM 225 SG CYS A 14 -3.151 -4.079 5.763 1.00 0.00 S ATOM 0 H CYS A 14 -4.544 -2.555 9.415 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.921 -4.500 9.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.478 -4.714 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.943 -5.658 7.645 1.00 0.00 H new ATOM 230 N ALA A 15 -2.491 -1.540 9.480 1.00 0.00 N ATOM 231 CA ALA A 15 -1.640 -0.358 9.538 1.00 0.00 C ATOM 232 C ALA A 15 -0.405 -0.614 10.395 1.00 0.00 C ATOM 233 O ALA A 15 0.596 -0.021 10.159 1.00 0.00 O ATOM 234 CB ALA A 15 -2.423 0.829 10.076 1.00 0.00 C ATOM 0 H ALA A 15 -3.463 -1.373 9.742 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.306 -0.129 8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.775 1.705 10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.271 1.033 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.785 0.602 11.079 1.00 0.00 H new ATOM 240 N GLN A 16 -0.545 -1.488 11.385 1.00 0.00 N ATOM 241 CA GLN A 16 0.504 -1.808 12.270 1.00 0.00 C ATOM 242 C GLN A 16 1.721 -2.251 11.462 1.00 0.00 C ATOM 243 O GLN A 16 2.860 -1.957 11.825 1.00 0.00 O ATOM 244 CB GLN A 16 0.095 -2.913 13.246 1.00 0.00 C ATOM 245 CG GLN A 16 -1.350 -3.044 13.433 1.00 0.00 C ATOM 246 CD GLN A 16 -1.722 -3.871 14.649 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.482 -4.834 14.549 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.187 -3.497 15.805 1.00 0.00 N ATOM 0 H GLN A 16 -1.414 -1.987 11.576 1.00 0.00 H new ATOM 0 HA GLN A 16 0.746 -0.922 12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.491 -3.863 12.888 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.559 -2.718 14.213 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.789 -2.051 13.529 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.785 -3.501 12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.562 -2.692 15.841 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.401 -4.015 16.657 1.00 0.00 H new ATOM 257 N CYS A 17 1.467 -2.954 10.364 1.00 0.00 N ATOM 258 CA CYS A 17 2.538 -3.435 9.500 1.00 0.00 C ATOM 259 C CYS A 17 3.082 -2.304 8.632 1.00 0.00 C ATOM 260 O CYS A 17 4.198 -2.384 8.118 1.00 0.00 O ATOM 261 CB CYS A 17 2.032 -4.572 8.610 1.00 0.00 C ATOM 262 SG CYS A 17 1.903 -6.057 9.505 1.00 0.00 S ATOM 0 H CYS A 17 0.529 -3.203 10.051 1.00 0.00 H new ATOM 0 HA CYS A 17 3.343 -3.807 10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.059 -4.308 8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.711 -4.709 7.768 1.00 0.00 H new ATOM 267 N HIS A 18 2.283 -1.256 8.470 1.00 0.00 N ATOM 268 CA HIS A 18 2.682 -0.110 7.663 1.00 0.00 C ATOM 269 C HIS A 18 2.902 1.123 8.535 1.00 0.00 C ATOM 270 O HIS A 18 2.883 2.253 8.047 1.00 0.00 O ATOM 271 CB HIS A 18 1.619 0.182 6.601 1.00 0.00 C ATOM 272 CG HIS A 18 1.313 -0.996 5.730 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.407 -0.963 4.356 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.914 -2.250 6.049 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.078 -2.155 3.861 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.777 -2.945 4.871 1.00 0.00 N ATOM 0 H HIS A 18 1.355 -1.176 8.887 1.00 0.00 H new ATOM 0 HA HIS A 18 3.623 -0.353 7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.703 0.508 7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.957 1.009 5.976 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.685 -0.152 3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.737 -2.633 7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.061 -2.426 2.816 1.00 0.00 H new ATOM 284 N THR A 19 3.114 0.894 9.826 1.00 0.00 N ATOM 285 CA THR A 19 3.341 1.982 10.768 1.00 0.00 C ATOM 286 C THR A 19 2.247 3.049 10.606 1.00 0.00 C ATOM 287 O THR A 19 1.579 3.153 9.577 1.00 0.00 O ATOM 288 CB THR A 19 4.724 2.597 10.548 1.00 0.00 C ATOM 289 OG1 THR A 19 5.729 1.602 10.589 1.00 0.00 O ATOM 290 CG2 THR A 19 5.080 3.652 11.574 1.00 0.00 C ATOM 0 H THR A 19 3.133 -0.036 10.244 1.00 0.00 H new ATOM 0 HA THR A 19 3.300 1.586 11.783 1.00 0.00 H new ATOM 0 HB THR A 19 4.676 3.069 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.358 1.802 11.314 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.073 4.047 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.351 4.461 11.532 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.073 3.208 12.570 1.00 0.00 H new ATOM 298 N VAL A 20 2.088 3.843 11.656 1.00 0.00 N ATOM 299 CA VAL A 20 1.099 4.914 11.672 1.00 0.00 C ATOM 300 C VAL A 20 1.646 6.182 11.023 1.00 0.00 C ATOM 301 O VAL A 20 2.269 6.110 9.927 1.00 0.00 O ATOM 302 CB VAL A 20 0.739 5.215 13.110 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.616 5.905 13.097 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.682 3.942 13.952 1.00 0.00 C ATOM 0 H VAL A 20 2.635 3.765 12.514 1.00 0.00 H new ATOM 0 HA VAL A 20 0.224 4.590 11.109 1.00 0.00 H new ATOM 0 HB VAL A 20 1.500 5.853 13.560 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.914 6.140 14.119 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.550 6.825 12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.356 5.244 12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.421 4.197 14.979 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.071 3.268 13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.655 3.451 13.936 1.00 0.00 H new ATOM 314 N GLU A 21 1.389 7.316 11.626 1.00 0.00 N ATOM 315 CA GLU A 21 1.793 8.611 11.103 1.00 0.00 C ATOM 316 C GLU A 21 3.310 8.741 11.193 1.00 0.00 C ATOM 317 O GLU A 21 3.936 8.234 12.126 1.00 0.00 O ATOM 318 CB GLU A 21 1.225 9.739 11.871 1.00 0.00 C ATOM 319 CG GLU A 21 0.115 9.284 12.805 1.00 0.00 C ATOM 320 CD GLU A 21 -0.535 10.439 13.540 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.674 10.267 14.029 1.00 0.00 O ATOM 322 OE2 GLU A 21 0.090 11.516 13.630 1.00 0.00 O ATOM 0 H GLU A 21 0.884 7.373 12.511 1.00 0.00 H new ATOM 0 HA GLU A 21 1.429 8.657 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.014 10.218 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.836 10.489 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.643 8.751 12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.521 8.579 13.530 1.00 0.00 H new ATOM 329 N LYS A 22 3.894 9.418 10.208 1.00 0.00 N ATOM 330 CA LYS A 22 5.338 9.611 10.169 1.00 0.00 C ATOM 331 C LYS A 22 5.841 10.188 11.485 1.00 0.00 C ATOM 332 O LYS A 22 5.421 11.271 11.915 1.00 0.00 O ATOM 333 CB LYS A 22 5.718 10.538 9.013 1.00 0.00 C ATOM 334 CG LYS A 22 7.176 10.425 8.595 1.00 0.00 C ATOM 335 CD LYS A 22 8.107 10.566 9.788 1.00 0.00 C ATOM 336 CE LYS A 22 7.890 11.882 10.514 1.00 0.00 C ATOM 337 NZ LYS A 22 8.668 11.955 11.782 1.00 0.00 N ATOM 0 H LYS A 22 3.390 9.841 9.429 1.00 0.00 H new ATOM 0 HA LYS A 22 5.808 8.639 10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.084 10.313 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.510 11.568 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.344 9.462 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.406 11.195 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.943 9.738 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.142 10.501 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.179 12.707 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.829 12.005 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.031 12.198 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.113 11.034 11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.405 12.684 11.696 1.00 0.00 H new ATOM 351 N GLY A 23 6.742 9.456 12.129 1.00 0.00 N ATOM 352 CA GLY A 23 7.292 9.894 13.396 1.00 0.00 C ATOM 353 C GLY A 23 7.625 8.725 14.299 1.00 0.00 C ATOM 354 O GLY A 23 8.572 8.785 15.085 1.00 0.00 O ATOM 0 H GLY A 23 7.102 8.563 11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.192 10.483 13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.577 10.547 13.896 1.00 0.00 H new ATOM 358 N GLY A 24 6.848 7.653 14.181 1.00 0.00 N ATOM 359 CA GLY A 24 7.081 6.474 14.994 1.00 0.00 C ATOM 360 C GLY A 24 8.238 5.640 14.477 1.00 0.00 C ATOM 361 O GLY A 24 9.324 6.160 14.226 1.00 0.00 O ATOM 0 H GLY A 24 6.061 7.580 13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.285 6.778 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.177 5.865 15.015 1.00 0.00 H new ATOM 365 N LYS A 25 8.003 4.340 14.315 1.00 0.00 N ATOM 366 CA LYS A 25 9.035 3.435 13.823 1.00 0.00 C ATOM 367 C LYS A 25 8.704 2.950 12.415 1.00 0.00 C ATOM 368 O LYS A 25 7.539 2.934 12.034 1.00 0.00 O ATOM 369 CB LYS A 25 9.185 2.237 14.764 1.00 0.00 C ATOM 370 CG LYS A 25 8.444 2.402 16.081 1.00 0.00 C ATOM 371 CD LYS A 25 7.956 1.066 16.617 1.00 0.00 C ATOM 372 CE LYS A 25 7.066 0.359 15.615 1.00 0.00 C ATOM 373 NZ LYS A 25 7.575 -0.988 15.256 1.00 0.00 N ATOM 0 H LYS A 25 7.109 3.892 14.517 1.00 0.00 H new ATOM 0 HA LYS A 25 9.977 3.982 13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.819 1.342 14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.243 2.077 14.970 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.101 2.871 16.813 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.595 3.071 15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.811 0.434 16.856 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.407 1.223 17.546 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.061 0.266 16.028 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.985 0.966 14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.932 -1.430 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.523 -0.901 14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.627 -1.578 16.111 1.00 0.00 H new ATOM 387 N HIS A 26 9.783 2.554 11.743 1.00 0.00 N ATOM 388 CA HIS A 26 9.594 2.067 10.381 1.00 0.00 C ATOM 389 C HIS A 26 8.736 0.808 10.373 1.00 0.00 C ATOM 390 O HIS A 26 8.862 -0.050 11.247 1.00 0.00 O ATOM 391 CB HIS A 26 10.943 1.782 9.716 1.00 0.00 C ATOM 392 CG HIS A 26 12.120 2.068 10.596 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.343 1.420 11.792 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.147 2.938 10.444 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.453 1.880 12.341 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.960 2.801 11.543 1.00 0.00 N ATOM 0 H HIS A 26 10.741 2.558 12.092 1.00 0.00 H new ATOM 0 HA HIS A 26 9.081 2.845 9.815 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.974 0.736 9.411 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.025 2.381 8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.298 3.613 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.874 1.558 13.282 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.817 3.326 11.715 1.00 0.00 H new ATOM 405 N LYS A 27 7.808 0.690 9.312 1.00 0.00 N ATOM 406 CA LYS A 27 6.925 -0.461 9.187 1.00 0.00 C ATOM 407 C LYS A 27 7.602 -1.586 8.413 1.00 0.00 C ATOM 408 O LYS A 27 8.697 -1.414 7.876 1.00 0.00 O ATOM 409 CB LYS A 27 5.628 -0.058 8.484 1.00 0.00 C ATOM 410 CG LYS A 27 5.706 -0.163 6.971 1.00 0.00 C ATOM 411 CD LYS A 27 5.182 1.095 6.296 1.00 0.00 C ATOM 412 CE LYS A 27 5.625 2.347 7.035 1.00 0.00 C ATOM 413 NZ LYS A 27 6.210 3.359 6.110 1.00 0.00 N ATOM 0 H LYS A 27 7.695 1.388 8.576 1.00 0.00 H new ATOM 0 HA LYS A 27 6.695 -0.820 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.816 -0.691 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.378 0.967 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.740 -0.335 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.129 -1.024 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.539 1.133 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.093 1.061 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.772 2.782 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.361 2.080 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.118 3.694 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.365 2.928 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.556 4.162 6.016 1.00 0.00 H new ATOM 427 N THR A 28 6.944 -2.740 8.359 1.00 0.00 N ATOM 428 CA THR A 28 7.481 -3.894 7.649 1.00 0.00 C ATOM 429 C THR A 28 7.503 -3.651 6.143 1.00 0.00 C ATOM 430 O THR A 28 8.431 -4.039 5.448 1.00 0.00 O ATOM 431 CB THR A 28 6.659 -5.143 7.969 1.00 0.00 C ATOM 432 OG1 THR A 28 6.057 -5.049 9.275 1.00 0.00 O ATOM 433 CG2 THR A 28 7.481 -6.374 7.970 1.00 0.00 C ATOM 0 H THR A 28 6.038 -2.900 8.799 1.00 0.00 H new ATOM 0 HA THR A 28 8.507 -4.048 7.983 1.00 0.00 H new ATOM 0 HB THR A 28 5.902 -5.200 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.536 -5.859 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.851 -7.232 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.932 -6.511 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.266 -6.287 8.721 1.00 0.00 H new ATOM 441 N GLY A 29 6.447 -2.998 5.646 1.00 0.00 N ATOM 442 CA GLY A 29 6.354 -2.711 4.227 1.00 0.00 C ATOM 443 C GLY A 29 5.887 -1.295 3.954 1.00 0.00 C ATOM 444 O GLY A 29 5.124 -0.728 4.735 1.00 0.00 O ATOM 0 H GLY A 29 5.660 -2.666 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.328 -2.865 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.664 -3.415 3.761 1.00 0.00 H new ATOM 448 N PRO A 30 6.328 -0.695 2.839 1.00 0.00 N ATOM 449 CA PRO A 30 5.944 0.668 2.468 1.00 0.00 C ATOM 450 C PRO A 30 4.458 0.932 2.686 1.00 0.00 C ATOM 451 O PRO A 30 3.606 0.242 2.126 1.00 0.00 O ATOM 452 CB PRO A 30 6.282 0.686 1.073 1.00 0.00 C ATOM 453 CG PRO A 30 7.436 -0.248 0.925 1.00 0.00 C ATOM 454 CD PRO A 30 7.236 -1.303 1.847 1.00 0.00 C ATOM 0 HA PRO A 30 6.436 1.438 3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.438 0.366 0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.548 1.692 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.493 -0.632 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.376 0.266 1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.791 -2.177 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.172 -1.628 2.300 1.00 0.00 H new ATOM 462 N ASN A 31 4.156 1.933 3.506 1.00 0.00 N ATOM 463 CA ASN A 31 2.774 2.289 3.803 1.00 0.00 C ATOM 464 C ASN A 31 1.987 2.543 2.522 1.00 0.00 C ATOM 465 O ASN A 31 1.005 1.855 2.239 1.00 0.00 O ATOM 466 CB ASN A 31 2.725 3.529 4.699 1.00 0.00 C ATOM 467 CG ASN A 31 1.534 3.520 5.636 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.778 2.549 5.688 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.359 4.603 6.383 1.00 0.00 N ATOM 0 H ASN A 31 4.851 2.512 3.977 1.00 0.00 H new ATOM 0 HA ASN A 31 2.316 1.451 4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.643 3.587 5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.686 4.422 4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.574 4.653 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.010 5.385 6.308 1.00 0.00 H new ATOM 476 N LEU A 32 2.410 3.492 1.842 1.00 0.00 N ATOM 477 CA LEU A 32 1.744 3.836 0.697 1.00 0.00 C ATOM 478 C LEU A 32 2.504 4.930 -0.150 1.00 0.00 C ATOM 479 O LEU A 32 2.456 5.009 -1.377 1.00 0.00 O ATOM 480 CB LEU A 32 0.310 4.292 0.768 1.00 0.00 C ATOM 481 CG LEU A 32 -0.225 5.468 1.605 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.355 5.413 3.009 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.170 6.753 0.917 1.00 0.00 C ATOM 0 H LEU A 32 3.231 4.056 2.062 1.00 0.00 H new ATOM 0 HA LEU A 32 1.723 2.848 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.018 4.506 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.261 3.420 1.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.310 5.412 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.029 6.249 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.068 4.475 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.442 5.476 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.199 7.602 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.256 6.808 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.262 6.778 -0.083 1.00 0.00 H new ATOM 495 N HIS A 33 3.207 5.771 0.603 1.00 0.00 N ATOM 496 CA HIS A 33 3.979 6.859 0.012 1.00 0.00 C ATOM 497 C HIS A 33 4.842 6.349 -1.136 1.00 0.00 C ATOM 498 O HIS A 33 5.646 5.431 -0.963 1.00 0.00 O ATOM 499 CB HIS A 33 4.859 7.521 1.074 1.00 0.00 C ATOM 500 CG HIS A 33 4.705 9.010 1.136 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.677 9.847 1.642 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.686 9.811 0.746 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.261 11.097 1.565 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.062 11.131 1.038 1.00 0.00 N ATOM 0 H HIS A 33 3.258 5.720 1.620 1.00 0.00 H new ATOM 0 HA HIS A 33 3.281 7.597 -0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.618 7.098 2.049 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.903 7.280 0.871 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.758 9.494 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.823 11.961 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.502 11.967 0.870 1.00 0.00 H new ATOM 513 N GLY A 34 4.680 6.947 -2.309 1.00 0.00 N ATOM 514 CA GLY A 34 5.440 6.541 -3.468 1.00 0.00 C ATOM 515 C GLY A 34 5.011 5.188 -4.002 1.00 0.00 C ATOM 516 O GLY A 34 5.736 4.558 -4.772 1.00 0.00 O ATOM 0 H GLY A 34 4.028 7.713 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.327 7.289 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.498 6.507 -3.210 1.00 0.00 H new ATOM 520 N LEU A 35 3.829 4.741 -3.591 1.00 0.00 N ATOM 521 CA LEU A 35 3.303 3.454 -4.032 1.00 0.00 C ATOM 522 C LEU A 35 3.133 3.429 -5.548 1.00 0.00 C ATOM 523 O LEU A 35 3.555 2.483 -6.213 1.00 0.00 O ATOM 524 CB LEU A 35 1.963 3.168 -3.351 1.00 0.00 C ATOM 525 CG LEU A 35 1.392 1.773 -3.609 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.408 0.704 -3.237 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.197 1.556 -2.829 1.00 0.00 C ATOM 0 H LEU A 35 3.217 5.251 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 35 4.017 2.680 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.083 3.302 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.237 3.909 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 35 1.154 1.707 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.985 -0.282 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.309 0.834 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.660 0.793 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.192 0.557 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.433 1.648 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.554 2.298 -3.100 1.00 0.00 H new ATOM 539 N PHE A 36 2.515 4.476 -6.085 1.00 0.00 N ATOM 540 CA PHE A 36 2.291 4.574 -7.522 1.00 0.00 C ATOM 541 C PHE A 36 3.171 5.667 -8.130 1.00 0.00 C ATOM 542 O PHE A 36 2.948 6.087 -9.267 1.00 0.00 O ATOM 543 CB PHE A 36 0.916 4.849 -7.810 1.00 0.00 C ATOM 544 CG PHE A 36 -0.020 4.339 -6.750 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.614 3.092 -6.873 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.305 5.105 -5.631 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.476 2.620 -5.900 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.165 4.639 -4.656 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.760 3.397 -4.791 1.00 0.00 C ATOM 0 H PHE A 36 2.161 5.267 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 36 2.556 3.614 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.781 5.925 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.654 4.397 -8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.401 2.482 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.151 6.078 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.928 1.645 -6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.373 5.245 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.442 3.036 -4.035 1.00 0.00 H new ATOM 559 N GLY A 37 4.168 6.101 -7.376 1.00 0.00 N ATOM 560 CA GLY A 37 5.071 7.150 -7.849 1.00 0.00 C ATOM 561 C GLY A 37 6.522 6.703 -7.805 1.00 0.00 C ATOM 562 O GLY A 37 7.301 7.009 -8.708 1.00 0.00 O ATOM 0 H GLY A 37 4.376 5.750 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.806 7.426 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.946 8.042 -7.235 1.00 0.00 H new ATOM 566 N ARG A 38 6.886 5.989 -6.745 1.00 0.00 N ATOM 567 CA ARG A 38 8.254 5.513 -6.575 1.00 0.00 C ATOM 568 C ARG A 38 8.440 4.177 -7.225 1.00 0.00 C ATOM 569 O ARG A 38 7.459 3.507 -7.626 1.00 0.00 O ATOM 570 CB ARG A 38 8.609 5.436 -5.090 1.00 0.00 C ATOM 571 CG ARG A 38 8.691 6.795 -4.413 1.00 0.00 C ATOM 572 CD ARG A 38 9.398 6.706 -3.071 1.00 0.00 C ATOM 573 NE ARG A 38 10.513 7.642 -2.975 1.00 0.00 N ATOM 574 CZ ARG A 38 10.412 8.939 -3.253 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.251 9.447 -3.641 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.472 9.727 -3.142 1.00 0.00 N ATOM 0 H ARG A 38 6.252 5.727 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 38 8.924 6.223 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.863 4.828 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.566 4.926 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.222 7.494 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.686 7.193 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.685 6.909 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.764 5.690 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 38 11.420 7.282 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.433 8.843 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.175 10.442 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.367 9.339 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.393 10.721 -3.356 1.00 0.00 H new ATOM 590 N LYS A 39 9.683 3.711 -7.360 1.00 0.00 N ATOM 591 CA LYS A 39 9.977 2.423 -7.981 1.00 0.00 C ATOM 592 C LYS A 39 9.214 1.295 -7.303 1.00 0.00 C ATOM 593 O LYS A 39 8.068 1.070 -7.618 1.00 0.00 O ATOM 594 CB LYS A 39 11.478 2.130 -7.948 1.00 0.00 C ATOM 595 CG LYS A 39 11.871 0.862 -8.643 1.00 0.00 C ATOM 596 CD LYS A 39 10.779 0.446 -9.537 1.00 0.00 C ATOM 597 CE LYS A 39 10.466 1.458 -10.620 1.00 0.00 C ATOM 598 NZ LYS A 39 9.141 1.211 -11.253 1.00 0.00 N ATOM 0 H LYS A 39 10.510 4.216 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 39 9.653 2.482 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.010 2.963 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.804 2.078 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.787 1.014 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.077 0.080 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.043 -0.503 -10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.881 0.271 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.482 2.461 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.244 1.424 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.648 2.116 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.277 0.746 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.571 0.597 -10.637 1.00 0.00 H new ATOM 612 N THR A 40 9.865 0.422 -6.562 1.00 0.00 N ATOM 613 CA THR A 40 9.137 -0.491 -5.604 1.00 0.00 C ATOM 614 C THR A 40 9.840 -0.613 -4.225 1.00 0.00 C ATOM 615 O THR A 40 10.788 -1.209 -3.975 1.00 0.00 O ATOM 616 CB THR A 40 8.959 -1.901 -6.003 1.00 0.00 C ATOM 617 OG1 THR A 40 10.162 -2.601 -6.221 1.00 0.00 O ATOM 618 CG2 THR A 40 7.875 -2.251 -6.854 1.00 0.00 C ATOM 0 H THR A 40 10.878 0.300 -6.578 1.00 0.00 H new ATOM 0 HA THR A 40 8.173 0.017 -5.585 1.00 0.00 H new ATOM 0 HB THR A 40 8.552 -2.308 -5.077 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.808 -2.367 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.895 -3.324 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.934 -1.985 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.964 -1.712 -7.797 1.00 0.00 H new ATOM 626 N GLY A 41 8.982 -0.064 -3.283 1.00 0.00 N ATOM 627 CA GLY A 41 9.391 -0.147 -1.880 1.00 0.00 C ATOM 628 C GLY A 41 10.759 0.388 -1.612 1.00 0.00 C ATOM 629 O GLY A 41 11.482 -0.154 -0.776 1.00 0.00 O ATOM 0 H GLY A 41 8.090 0.394 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.672 0.400 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.351 -1.189 -1.562 1.00 0.00 H new ATOM 633 N GLN A 42 11.142 1.447 -2.317 1.00 0.00 N ATOM 634 CA GLN A 42 12.464 2.042 -2.140 1.00 0.00 C ATOM 635 C GLN A 42 12.392 3.294 -1.273 1.00 0.00 C ATOM 636 O GLN A 42 13.007 4.314 -1.585 1.00 0.00 O ATOM 637 CB GLN A 42 13.082 2.384 -3.499 1.00 0.00 C ATOM 638 CG GLN A 42 12.071 2.451 -4.631 1.00 0.00 C ATOM 639 CD GLN A 42 10.920 3.387 -4.327 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.125 4.539 -3.944 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.699 2.895 -4.496 1.00 0.00 N ATOM 0 H GLN A 42 10.559 1.910 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 42 13.094 1.310 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.594 3.343 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.838 1.637 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.572 2.780 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.681 1.452 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.576 1.934 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.884 3.478 -4.307 1.00 0.00 H new ATOM 650 N ALA A 43 11.635 3.204 -0.163 1.00 0.00 N ATOM 651 CA ALA A 43 11.485 4.340 0.731 1.00 0.00 C ATOM 652 C ALA A 43 12.842 4.861 1.197 1.00 0.00 C ATOM 653 O ALA A 43 13.884 4.307 0.848 1.00 0.00 O ATOM 654 CB ALA A 43 10.636 3.939 1.928 1.00 0.00 C ATOM 0 H ALA A 43 11.130 2.365 0.123 1.00 0.00 H new ATOM 0 HA ALA A 43 10.989 5.144 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.525 4.792 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.653 3.616 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.121 3.121 2.461 1.00 0.00 H new ATOM 660 N PRO A 44 12.842 5.942 1.990 1.00 0.00 N ATOM 661 CA PRO A 44 14.071 6.549 2.506 1.00 0.00 C ATOM 662 C PRO A 44 14.637 5.798 3.707 1.00 0.00 C ATOM 663 O PRO A 44 15.246 4.740 3.558 1.00 0.00 O ATOM 664 CB PRO A 44 13.609 7.947 2.911 1.00 0.00 C ATOM 665 CG PRO A 44 12.186 7.765 3.315 1.00 0.00 C ATOM 666 CD PRO A 44 11.637 6.664 2.444 1.00 0.00 C ATOM 0 HA PRO A 44 14.878 6.540 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.208 8.341 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.700 8.651 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.112 7.500 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.622 8.687 3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.965 6.011 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.069 7.064 1.604 1.00 0.00 H new ATOM 674 N GLY A 45 14.499 6.411 4.876 1.00 0.00 N ATOM 675 CA GLY A 45 14.998 5.782 6.086 1.00 0.00 C ATOM 676 C GLY A 45 14.240 4.516 6.438 1.00 0.00 C ATOM 677 O GLY A 45 14.468 3.919 7.488 1.00 0.00 O ATOM 0 H GLY A 45 14.057 7.320 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.055 5.546 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.926 6.487 6.914 1.00 0.00 H new ATOM 681 N PHE A 46 13.288 4.096 5.485 1.00 0.00 N ATOM 682 CA PHE A 46 12.488 2.894 5.698 1.00 0.00 C ATOM 683 C PHE A 46 13.268 1.648 5.294 1.00 0.00 C ATOM 684 O PHE A 46 13.903 1.607 4.248 1.00 0.00 O ATOM 685 CB PHE A 46 11.186 2.970 4.903 1.00 0.00 C ATOM 686 CG PHE A 46 10.303 1.768 5.087 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.569 1.606 6.249 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.211 0.803 4.098 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.757 0.502 6.424 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.397 -0.312 4.262 1.00 0.00 C ATOM 691 CZ PHE A 46 8.672 -0.454 5.431 1.00 0.00 C ATOM 0 H PHE A 46 13.097 4.585 4.610 1.00 0.00 H new ATOM 0 HA PHE A 46 12.252 2.830 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.638 3.863 5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.421 3.080 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.632 2.351 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.779 0.918 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.190 0.387 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.332 -1.059 3.485 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.036 -1.316 5.568 1.00 0.00 H new ATOM 701 N THR A 47 13.212 0.624 6.150 1.00 0.00 N ATOM 702 CA THR A 47 13.915 -0.626 5.879 1.00 0.00 C ATOM 703 C THR A 47 13.121 -1.485 4.902 1.00 0.00 C ATOM 704 O THR A 47 12.146 -2.133 5.276 1.00 0.00 O ATOM 705 CB THR A 47 14.154 -1.395 7.179 1.00 0.00 C ATOM 706 OG1 THR A 47 15.501 -1.820 7.271 1.00 0.00 O ATOM 707 CG2 THR A 47 13.266 -2.665 7.299 1.00 0.00 C ATOM 0 H THR A 47 12.692 0.638 7.027 1.00 0.00 H new ATOM 0 HA THR A 47 14.879 -0.387 5.429 1.00 0.00 H new ATOM 0 HB THR A 47 13.901 -0.700 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.633 -2.308 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.479 -3.170 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.215 -2.378 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.481 -3.339 6.470 1.00 0.00 H new ATOM 715 N TYR A 48 13.545 -1.470 3.643 1.00 0.00 N ATOM 716 CA TYR A 48 12.896 -2.238 2.597 1.00 0.00 C ATOM 717 C TYR A 48 13.164 -3.724 2.721 1.00 0.00 C ATOM 718 O TYR A 48 14.155 -4.133 3.324 1.00 0.00 O ATOM 719 CB TYR A 48 13.310 -1.788 1.306 1.00 0.00 C ATOM 720 CG TYR A 48 14.359 -0.701 1.352 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.650 -0.971 1.790 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.060 0.597 0.955 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.612 0.020 1.832 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.018 1.593 0.995 1.00 0.00 C ATOM 725 CZ TYR A 48 16.291 1.300 1.433 1.00 0.00 C ATOM 726 OH TYR A 48 17.247 2.288 1.474 1.00 0.00 O ATOM 0 H TYR A 48 14.346 -0.926 3.324 1.00 0.00 H new ATOM 0 HA TYR A 48 11.824 -2.078 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.701 -2.635 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.440 -1.419 0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.906 -1.973 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.064 0.831 0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.610 -0.207 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.769 2.597 0.684 1.00 0.00 H new ATOM 0 HH TYR A 48 16.860 3.131 1.159 1.00 0.00 H new ATOM 736 N THR A 49 12.345 -4.515 2.189 1.00 0.00 N ATOM 737 CA THR A 49 12.497 -5.961 2.196 1.00 0.00 C ATOM 738 C THR A 49 13.503 -6.373 1.134 1.00 0.00 C ATOM 739 O THR A 49 13.926 -5.549 0.326 1.00 0.00 O ATOM 740 CB THR A 49 11.153 -6.641 1.936 1.00 0.00 C ATOM 741 OG1 THR A 49 10.742 -6.445 0.595 1.00 0.00 O ATOM 742 CG2 THR A 49 10.044 -6.140 2.834 1.00 0.00 C ATOM 0 H THR A 49 11.503 -4.199 1.707 1.00 0.00 H new ATOM 0 HA THR A 49 12.858 -6.273 3.176 1.00 0.00 H new ATOM 0 HB THR A 49 11.320 -7.697 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.881 -6.889 0.449 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.118 -6.664 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.308 -6.324 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.905 -5.070 2.678 1.00 0.00 H new ATOM 750 N ASP A 50 13.891 -7.639 1.130 1.00 0.00 N ATOM 751 CA ASP A 50 14.853 -8.115 0.148 1.00 0.00 C ATOM 752 C ASP A 50 14.377 -7.779 -1.261 1.00 0.00 C ATOM 753 O ASP A 50 15.178 -7.455 -2.138 1.00 0.00 O ATOM 754 CB ASP A 50 15.060 -9.625 0.289 1.00 0.00 C ATOM 755 CG ASP A 50 15.471 -10.276 -1.016 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.644 -10.691 -1.129 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.621 -10.373 -1.926 1.00 0.00 O ATOM 0 H ASP A 50 13.560 -8.347 1.786 1.00 0.00 H new ATOM 0 HA ASP A 50 15.806 -7.616 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.824 -9.815 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.138 -10.084 0.646 1.00 0.00 H new ATOM 762 N ALA A 51 13.037 -7.828 -1.428 1.00 0.00 N ATOM 763 CA ALA A 51 12.452 -7.519 -2.727 1.00 0.00 C ATOM 764 C ALA A 51 12.549 -6.026 -3.031 1.00 0.00 C ATOM 765 O ALA A 51 12.905 -5.624 -4.137 1.00 0.00 O ATOM 766 CB ALA A 51 11.004 -7.985 -2.777 1.00 0.00 C ATOM 0 H ALA A 51 12.368 -8.072 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 51 13.017 -8.052 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.579 -7.748 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.963 -9.062 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.432 -7.479 -1.999 1.00 0.00 H new ATOM 772 N ASN A 52 12.199 -5.202 -2.040 1.00 0.00 N ATOM 773 CA ASN A 52 12.238 -3.752 -2.207 1.00 0.00 C ATOM 774 C ASN A 52 13.653 -3.284 -2.526 1.00 0.00 C ATOM 775 O ASN A 52 13.859 -2.465 -3.421 1.00 0.00 O ATOM 776 CB ASN A 52 11.734 -3.059 -0.939 1.00 0.00 C ATOM 777 CG ASN A 52 10.279 -3.376 -0.647 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.583 -3.922 -1.636 1.00 0.00 O flip ATOM 779 ND2 ASN A 52 9.785 -3.150 0.449 1.00 0.00 N flip ATOM 0 H ASN A 52 11.888 -5.514 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 52 11.588 -3.487 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.347 -3.366 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.854 -1.981 -1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.350 -2.729 1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.808 -3.383 0.626 1.00 0.00 H new ATOM 786 N LYS A 53 14.625 -3.819 -1.797 1.00 0.00 N ATOM 787 CA LYS A 53 16.022 -3.465 -2.014 1.00 0.00 C ATOM 788 C LYS A 53 16.432 -3.800 -3.440 1.00 0.00 C ATOM 789 O LYS A 53 17.279 -3.129 -4.031 1.00 0.00 O ATOM 790 CB LYS A 53 16.920 -4.208 -1.022 1.00 0.00 C ATOM 791 CG LYS A 53 16.620 -5.694 -0.925 1.00 0.00 C ATOM 792 CD LYS A 53 17.677 -6.424 -0.110 1.00 0.00 C ATOM 793 CE LYS A 53 17.335 -6.413 1.315 1.00 0.00 C ATOM 794 NZ LYS A 53 17.142 -7.797 1.827 1.00 0.00 N ATOM 0 H LYS A 53 14.472 -4.498 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 53 16.138 -2.393 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.961 -4.074 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.808 -3.758 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.641 -5.840 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.571 -6.122 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.766 -7.453 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.648 -5.952 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.127 -5.920 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.425 -5.834 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.169 -7.905 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.310 -8.478 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.812 -7.977 2.602 1.00 0.00 H new ATOM 808 N ASN A 54 15.816 -4.841 -3.994 1.00 0.00 N ATOM 809 CA ASN A 54 16.103 -5.265 -5.357 1.00 0.00 C ATOM 810 C ASN A 54 15.443 -4.319 -6.352 1.00 0.00 C ATOM 811 O ASN A 54 15.795 -4.294 -7.531 1.00 0.00 O ATOM 812 CB ASN A 54 15.613 -6.696 -5.586 1.00 0.00 C ATOM 813 CG ASN A 54 16.252 -7.685 -4.632 1.00 0.00 C ATOM 814 OD1 ASN A 54 17.074 -7.180 -3.721 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 16.010 -8.890 -4.716 1.00 0.00 N flip ATOM 0 H ASN A 54 15.114 -5.406 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 54 17.182 -5.239 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.530 -6.730 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.831 -6.992 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.371 -9.233 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.449 -9.545 -4.068 1.00 0.00 H new ATOM 822 N LYS A 55 14.481 -3.543 -5.863 1.00 0.00 N ATOM 823 CA LYS A 55 13.765 -2.589 -6.701 1.00 0.00 C ATOM 824 C LYS A 55 12.796 -3.303 -7.633 1.00 0.00 C ATOM 825 O LYS A 55 12.930 -3.238 -8.855 1.00 0.00 O ATOM 826 CB LYS A 55 14.753 -1.754 -7.517 1.00 0.00 C ATOM 827 CG LYS A 55 15.473 -0.736 -6.714 1.00 0.00 C ATOM 828 CD LYS A 55 16.947 -0.692 -7.079 1.00 0.00 C ATOM 829 CE LYS A 55 17.563 -2.031 -7.144 1.00 0.00 C ATOM 830 NZ LYS A 55 19.032 -2.013 -6.899 1.00 0.00 N ATOM 0 H LYS A 55 14.179 -3.557 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 55 13.193 -1.929 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.481 -2.419 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.215 -1.255 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.025 0.244 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.365 -0.962 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.063 -0.197 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.480 -0.088 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.086 -2.679 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.370 -2.466 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.406 -2.982 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.496 -1.419 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.221 -1.626 -5.952 1.00 0.00 H new ATOM 844 N GLY A 56 11.811 -3.979 -7.048 1.00 0.00 N ATOM 845 CA GLY A 56 10.856 -4.708 -7.881 1.00 0.00 C ATOM 846 C GLY A 56 10.201 -3.809 -8.906 1.00 0.00 C ATOM 847 O GLY A 56 10.821 -3.449 -9.909 1.00 0.00 O ATOM 0 H GLY A 56 11.654 -4.039 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.367 -5.526 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.090 -5.156 -7.248 1.00 0.00 H new ATOM 851 N ILE A 57 8.926 -3.412 -8.616 1.00 0.00 N ATOM 852 CA ILE A 57 8.211 -2.535 -9.530 1.00 0.00 C ATOM 853 C ILE A 57 7.135 -1.621 -8.918 1.00 0.00 C ATOM 854 O ILE A 57 6.774 -1.897 -7.707 1.00 0.00 O ATOM 855 CB ILE A 57 7.468 -3.322 -10.616 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.794 -2.729 -11.973 1.00 0.00 C ATOM 857 CG2 ILE A 57 5.972 -3.308 -10.373 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.088 -1.251 -11.913 1.00 0.00 C ATOM 0 H ILE A 57 8.407 -3.686 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 57 9.028 -1.919 -9.905 1.00 0.00 H new ATOM 0 HB ILE A 57 7.795 -4.361 -10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.655 -3.249 -12.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.957 -2.900 -12.649 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.471 -3.874 -11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.756 -3.761 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.612 -2.279 -10.380 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.314 -0.884 -12.914 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.219 -0.723 -11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.944 -1.076 -11.261 1.00 0.00 H new ATOM 870 N THR A 58 6.705 -0.638 -9.518 1.00 0.00 N ATOM 871 CA THR A 58 5.765 0.311 -8.948 1.00 0.00 C ATOM 872 C THR A 58 4.365 -0.281 -8.888 1.00 0.00 C ATOM 873 O THR A 58 3.746 -0.552 -9.925 1.00 0.00 O ATOM 874 CB THR A 58 5.752 1.600 -9.772 1.00 0.00 C ATOM 875 OG1 THR A 58 5.927 2.679 -8.983 1.00 0.00 O ATOM 876 CG2 THR A 58 4.428 1.857 -10.458 1.00 0.00 C ATOM 0 H THR A 58 6.979 -0.411 -10.474 1.00 0.00 H new ATOM 0 HA THR A 58 6.086 0.539 -7.932 1.00 0.00 H new ATOM 0 HB THR A 58 6.552 1.461 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.781 2.602 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.486 2.786 -11.025 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.203 1.033 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.640 1.938 -9.709 1.00 0.00 H new ATOM 884 N TRP A 59 3.879 -0.469 -7.674 1.00 0.00 N ATOM 885 CA TRP A 59 2.554 -1.028 -7.446 1.00 0.00 C ATOM 886 C TRP A 59 1.469 -0.073 -7.932 1.00 0.00 C ATOM 887 O TRP A 59 1.231 0.974 -7.329 1.00 0.00 O ATOM 888 CB TRP A 59 2.369 -1.332 -5.960 1.00 0.00 C ATOM 889 CG TRP A 59 3.671 -1.487 -5.235 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.477 -0.486 -4.777 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.323 -2.717 -4.894 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.592 -1.016 -4.174 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.519 -2.384 -4.232 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.011 -4.066 -5.086 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.403 -3.352 -3.761 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.889 -5.025 -4.616 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.073 -4.664 -3.961 1.00 0.00 C ATOM 0 H TRP A 59 4.388 -0.240 -6.820 1.00 0.00 H new ATOM 0 HA TRP A 59 2.466 -1.954 -8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.794 -0.530 -5.498 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.786 -2.246 -5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.269 0.569 -4.874 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.350 -0.480 -3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.101 -4.354 -5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.317 -3.076 -3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.658 -6.071 -4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.739 -5.437 -3.607 1.00 0.00 H new ATOM 908 N LYS A 60 0.843 -0.465 -9.066 1.00 0.00 N ATOM 909 CA LYS A 60 -0.221 0.348 -9.644 1.00 0.00 C ATOM 910 C LYS A 60 -1.586 -0.231 -9.296 1.00 0.00 C ATOM 911 O LYS A 60 -1.682 -1.324 -8.744 1.00 0.00 O ATOM 912 CB LYS A 60 -0.053 0.437 -11.162 1.00 0.00 C ATOM 913 CG LYS A 60 -1.282 0.001 -11.944 1.00 0.00 C ATOM 914 CD LYS A 60 -2.132 1.192 -12.359 1.00 0.00 C ATOM 915 CE LYS A 60 -2.602 1.065 -13.798 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.146 2.209 -14.635 1.00 0.00 N ATOM 0 H LYS A 60 1.058 -1.320 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.156 1.352 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.191 1.465 -11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.794 -0.181 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.973 -0.553 -12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.879 -0.679 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.996 1.272 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.556 2.110 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.227 0.133 -14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.690 1.010 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.488 2.084 -15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.525 3.096 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.107 2.247 -14.635 1.00 0.00 H new ATOM 930 N GLU A 61 -2.610 0.518 -9.575 1.00 0.00 N ATOM 931 CA GLU A 61 -4.000 0.063 -9.330 1.00 0.00 C ATOM 932 C GLU A 61 -4.317 -1.237 -10.070 1.00 0.00 C ATOM 933 O GLU A 61 -4.687 -2.237 -9.455 1.00 0.00 O ATOM 934 CB GLU A 61 -5.007 1.144 -9.724 1.00 0.00 C ATOM 935 CG GLU A 61 -6.032 1.444 -8.643 1.00 0.00 C ATOM 936 CD GLU A 61 -7.450 1.145 -9.085 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.359 1.923 -8.730 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.654 0.130 -9.787 1.00 0.00 O ATOM 0 H GLU A 61 -2.538 1.454 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.084 -0.130 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.468 2.060 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.527 0.832 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.801 0.856 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.958 2.494 -8.358 1.00 0.00 H new ATOM 945 N GLU A 62 -4.173 -1.213 -11.392 1.00 0.00 N ATOM 946 CA GLU A 62 -4.450 -2.385 -12.219 1.00 0.00 C ATOM 947 C GLU A 62 -3.507 -3.539 -11.884 1.00 0.00 C ATOM 948 O GLU A 62 -3.932 -4.690 -11.780 1.00 0.00 O ATOM 949 CB GLU A 62 -4.327 -2.027 -13.700 1.00 0.00 C ATOM 950 CG GLU A 62 -2.920 -2.192 -14.251 1.00 0.00 C ATOM 951 CD GLU A 62 -2.797 -1.722 -15.687 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.839 -1.615 -16.369 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.661 -1.457 -16.131 1.00 0.00 O ATOM 0 H GLU A 62 -3.865 -0.393 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.470 -2.708 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.009 -2.654 -14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.646 -0.995 -13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.222 -1.632 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.631 -3.241 -14.190 1.00 0.00 H new ATOM 960 N THR A 63 -2.186 -3.218 -11.678 1.00 0.00 N ATOM 961 CA THR A 63 -1.195 -4.229 -11.361 1.00 0.00 C ATOM 962 C THR A 63 -1.480 -4.859 -10.004 1.00 0.00 C ATOM 963 O THR A 63 -1.148 -6.019 -9.763 1.00 0.00 O ATOM 964 CB THR A 63 0.147 -3.603 -11.369 1.00 0.00 C ATOM 965 OG1 THR A 63 0.984 -4.269 -12.295 1.00 0.00 O ATOM 966 CG2 THR A 63 0.827 -3.651 -10.016 1.00 0.00 C ATOM 0 H THR A 63 -1.816 -2.269 -11.732 1.00 0.00 H new ATOM 0 HA THR A 63 -1.235 -5.021 -12.109 1.00 0.00 H new ATOM 0 HB THR A 63 -0.004 -2.559 -11.644 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.869 -3.849 -12.297 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.806 -3.177 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.218 -3.121 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.947 -4.689 -9.706 1.00 0.00 H new ATOM 974 N LEU A 64 -2.105 -4.085 -9.126 1.00 0.00 N ATOM 975 CA LEU A 64 -2.448 -4.558 -7.793 1.00 0.00 C ATOM 976 C LEU A 64 -3.593 -5.561 -7.862 1.00 0.00 C ATOM 977 O LEU A 64 -3.642 -6.516 -7.088 1.00 0.00 O ATOM 978 CB LEU A 64 -2.837 -3.378 -6.897 1.00 0.00 C ATOM 979 CG LEU A 64 -1.778 -2.962 -5.876 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.285 -1.805 -5.028 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.395 -4.142 -4.994 1.00 0.00 C ATOM 0 H LEU A 64 -2.385 -3.123 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.576 -5.053 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.065 -2.521 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.753 -3.633 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.889 -2.633 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.520 -1.520 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.511 -0.954 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.188 -2.110 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.640 -3.828 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.277 -4.501 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.993 -4.944 -5.613 1.00 0.00 H new ATOM 993 N MET A 65 -4.507 -5.336 -8.799 1.00 0.00 N ATOM 994 CA MET A 65 -5.652 -6.224 -8.975 1.00 0.00 C ATOM 995 C MET A 65 -5.183 -7.636 -9.302 1.00 0.00 C ATOM 996 O MET A 65 -5.702 -8.614 -8.763 1.00 0.00 O ATOM 997 CB MET A 65 -6.564 -5.705 -10.087 1.00 0.00 C ATOM 998 CG MET A 65 -7.350 -4.463 -9.699 1.00 0.00 C ATOM 999 SD MET A 65 -8.203 -4.647 -8.121 1.00 0.00 S ATOM 1000 CE MET A 65 -6.931 -4.103 -6.985 1.00 0.00 C ATOM 0 H MET A 65 -4.479 -4.549 -9.447 1.00 0.00 H new ATOM 0 HA MET A 65 -6.215 -6.248 -8.042 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.960 -5.483 -10.967 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.262 -6.493 -10.370 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.672 -3.611 -9.644 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.079 -4.241 -10.478 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.340 -4.057 -5.976 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.098 -4.806 -7.008 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.579 -3.114 -7.279 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.191 -7.732 -10.179 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.640 -9.024 -10.571 1.00 0.00 C ATOM 1012 C GLU A 66 -2.703 -9.552 -9.491 1.00 0.00 C ATOM 1013 O GLU A 66 -2.656 -10.753 -9.223 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.892 -8.905 -11.901 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.046 -7.646 -12.010 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.231 -7.603 -13.289 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.535 -8.552 -13.547 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.349 -6.607 -14.033 1.00 0.00 O ATOM 0 H GLU A 66 -3.752 -6.931 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.465 -9.726 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.250 -9.777 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.614 -8.920 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.695 -6.771 -11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.375 -7.588 -11.153 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.960 -8.640 -8.871 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.082 -8.989 -7.815 1.00 0.00 C ATOM 1027 C TYR A 67 -1.756 -9.621 -6.630 1.00 0.00 C ATOM 1028 O TYR A 67 -1.226 -10.352 -5.843 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.307 -7.752 -7.357 1.00 0.00 C ATOM 1030 CG TYR A 67 0.066 -7.779 -5.893 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.307 -8.249 -5.479 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.823 -7.333 -4.922 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.652 -8.273 -4.140 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.486 -7.355 -3.581 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.751 -7.826 -3.196 1.00 0.00 C ATOM 1036 OH TYR A 67 1.097 -7.823 -1.918 1.00 0.00 O ATOM 0 H TYR A 67 -1.966 -7.647 -9.103 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.412 -9.746 -8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.601 -7.661 -7.953 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.907 -6.864 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.014 -8.601 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.793 -6.963 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.621 -8.640 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.188 -7.005 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 67 0.355 -7.479 -1.379 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.071 -9.303 -6.510 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.859 -9.834 -5.422 1.00 0.00 C ATOM 1048 C LEU A 68 -3.938 -11.355 -5.487 1.00 0.00 C ATOM 1049 O LEU A 68 -4.306 -11.986 -4.570 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.263 -9.232 -5.486 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.388 -7.818 -4.914 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.764 -7.244 -5.215 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.089 -7.767 -3.569 1.00 0.00 C ATOM 0 H LEU A 68 -3.579 -8.693 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.381 -9.568 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.588 -9.217 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.948 -9.887 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.645 -7.193 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.837 -6.238 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.914 -7.205 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.529 -7.877 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.193 -6.742 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.773 -8.414 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.065 -8.104 -3.411 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.579 -11.912 -6.640 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.608 -13.357 -6.833 1.00 0.00 C ATOM 1067 C GLU A 69 -2.667 -14.055 -5.855 1.00 0.00 C ATOM 1068 O GLU A 69 -3.095 -14.565 -4.891 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.220 -13.707 -8.270 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.127 -14.746 -8.908 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.747 -15.047 -10.346 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.696 -14.548 -10.800 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.501 -15.783 -11.018 1.00 0.00 O ATOM 0 H GLU A 69 -3.265 -11.384 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.623 -13.705 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.239 -12.800 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.194 -14.076 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.086 -15.666 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.158 -14.393 -8.875 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.436 -14.031 -6.175 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.428 -14.635 -5.380 1.00 0.00 C ATOM 1082 C ASN A 70 0.567 -13.605 -4.855 1.00 0.00 C ATOM 1083 O ASN A 70 1.567 -13.338 -5.447 1.00 0.00 O ATOM 1084 CB ASN A 70 0.313 -15.729 -6.153 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.438 -17.047 -6.153 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.416 -17.787 -5.170 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.113 -17.370 -7.207 1.00 0.00 N ATOM 0 H ASN A 70 -1.083 -13.580 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.931 -15.092 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.468 -15.402 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.299 -15.876 -5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.635 -18.246 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.124 -16.749 -8.016 1.00 0.00 H new ATOM 1094 N PRO A 71 0.292 -13.041 -3.670 1.00 0.00 N ATOM 1095 CA PRO A 71 1.162 -12.036 -3.050 1.00 0.00 C ATOM 1096 C PRO A 71 2.617 -12.492 -2.985 1.00 0.00 C ATOM 1097 O PRO A 71 3.536 -11.676 -3.067 1.00 0.00 O ATOM 1098 CB PRO A 71 0.583 -11.889 -1.640 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.848 -12.279 -1.778 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.889 -13.341 -2.843 1.00 0.00 C ATOM 0 HA PRO A 71 1.181 -11.105 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.102 -12.532 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.682 -10.866 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.242 -12.657 -0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.460 -11.422 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.836 -14.342 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.810 -13.292 -3.424 1.00 0.00 H new ATOM 1108 N LYS A 72 2.817 -13.796 -2.839 1.00 0.00 N ATOM 1109 CA LYS A 72 4.159 -14.359 -2.765 1.00 0.00 C ATOM 1110 C LYS A 72 4.772 -14.489 -4.155 1.00 0.00 C ATOM 1111 O LYS A 72 5.994 -14.521 -4.304 1.00 0.00 O ATOM 1112 CB LYS A 72 4.124 -15.727 -2.079 1.00 0.00 C ATOM 1113 CG LYS A 72 4.579 -16.867 -2.976 1.00 0.00 C ATOM 1114 CD LYS A 72 6.085 -17.058 -2.908 1.00 0.00 C ATOM 1115 CE LYS A 72 6.731 -16.807 -4.272 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.549 -17.954 -4.709 1.00 0.00 N ATOM 0 H LYS A 72 2.067 -14.483 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 72 4.778 -13.682 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.758 -15.697 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.109 -15.927 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.080 -17.789 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.283 -16.663 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.509 -16.377 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.312 -18.071 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.955 -16.611 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.354 -15.914 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.970 -17.746 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.305 -18.125 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.949 -18.800 -4.783 1.00 0.00 H new ATOM 1130 N LYS A 73 3.916 -14.562 -5.168 1.00 0.00 N ATOM 1131 CA LYS A 73 4.366 -14.711 -6.492 1.00 0.00 C ATOM 1132 C LYS A 73 5.022 -13.419 -6.968 1.00 0.00 C ATOM 1133 O LYS A 73 5.925 -13.442 -7.803 1.00 0.00 O ATOM 1134 CB LYS A 73 3.195 -15.071 -7.409 1.00 0.00 C ATOM 1135 CG LYS A 73 2.426 -13.861 -7.916 1.00 0.00 C ATOM 1136 CD LYS A 73 2.916 -13.426 -9.288 1.00 0.00 C ATOM 1137 CE LYS A 73 3.163 -14.620 -10.197 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.029 -15.585 -10.166 1.00 0.00 N ATOM 0 H LYS A 73 2.902 -14.517 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 73 5.100 -15.516 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.572 -15.635 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.511 -15.727 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.363 -14.098 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.536 -13.037 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.180 -12.765 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.837 -12.852 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.317 -14.273 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.079 -15.126 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.895 -15.994 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.238 -16.345 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.161 -15.091 -9.877 1.00 0.00 H new ATOM 1152 N TYR A 74 4.561 -12.295 -6.430 1.00 0.00 N ATOM 1153 CA TYR A 74 5.105 -10.992 -6.801 1.00 0.00 C ATOM 1154 C TYR A 74 6.392 -10.703 -6.034 1.00 0.00 C ATOM 1155 O TYR A 74 7.373 -10.231 -6.608 1.00 0.00 O ATOM 1156 CB TYR A 74 4.076 -9.892 -6.534 1.00 0.00 C ATOM 1157 CG TYR A 74 3.246 -9.533 -7.745 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.253 -10.386 -8.208 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.457 -8.341 -8.426 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.492 -10.061 -9.315 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.701 -8.007 -9.533 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.720 -8.872 -9.974 1.00 0.00 C ATOM 1163 OH TYR A 74 0.965 -8.543 -11.077 1.00 0.00 O ATOM 0 H TYR A 74 3.814 -12.259 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 74 5.336 -11.010 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.412 -10.214 -5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.593 -9.000 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.072 -11.319 -7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.225 -7.663 -8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.723 -10.735 -9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.876 -7.075 -10.050 1.00 0.00 H new ATOM 0 HH TYR A 74 1.253 -7.672 -11.422 1.00 0.00 H new ATOM 1173 N ILE A 75 6.381 -10.991 -4.737 1.00 0.00 N ATOM 1174 CA ILE A 75 7.552 -10.754 -3.890 1.00 0.00 C ATOM 1175 C ILE A 75 7.845 -11.953 -3.073 1.00 0.00 C ATOM 1176 O ILE A 75 7.513 -11.971 -1.889 1.00 0.00 O ATOM 1177 CB ILE A 75 7.363 -9.528 -2.994 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.415 -8.247 -3.829 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.432 -9.476 -1.959 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.459 -8.282 -4.922 1.00 0.00 C ATOM 0 H ILE A 75 5.579 -11.388 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 75 8.401 -10.554 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 75 6.390 -9.607 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.437 -8.075 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.617 -7.402 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.286 -8.599 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.388 -10.376 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.406 -9.415 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.440 -7.342 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.445 -8.423 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.246 -9.106 -5.602 1.00 0.00 H new ATOM 1192 N PRO A 76 8.468 -12.988 -3.654 1.00 0.00 N ATOM 1193 CA PRO A 76 8.807 -14.219 -2.932 1.00 0.00 C ATOM 1194 C PRO A 76 9.702 -13.957 -1.726 1.00 0.00 C ATOM 1195 O PRO A 76 10.680 -13.214 -1.819 1.00 0.00 O ATOM 1196 CB PRO A 76 9.549 -15.061 -3.975 1.00 0.00 C ATOM 1197 CG PRO A 76 9.123 -14.528 -5.239 1.00 0.00 C ATOM 1198 CD PRO A 76 8.885 -13.064 -5.008 1.00 0.00 C ATOM 0 HA PRO A 76 7.919 -14.706 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.629 -14.980 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.296 -16.117 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.883 -14.684 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.215 -15.022 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.790 -12.482 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.123 -12.673 -5.682 1.00 0.00 H new ATOM 1206 N GLY A 77 9.364 -14.573 -0.599 1.00 0.00 N ATOM 1207 CA GLY A 77 10.151 -14.394 0.607 1.00 0.00 C ATOM 1208 C GLY A 77 9.463 -13.507 1.626 1.00 0.00 C ATOM 1209 O GLY A 77 9.825 -13.513 2.803 1.00 0.00 O ATOM 0 H GLY A 77 8.560 -15.193 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.350 -15.368 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.116 -13.960 0.346 1.00 0.00 H new ATOM 1213 N THR A 78 8.472 -12.744 1.178 1.00 0.00 N ATOM 1214 CA THR A 78 7.740 -11.851 2.068 1.00 0.00 C ATOM 1215 C THR A 78 6.405 -12.464 2.480 1.00 0.00 C ATOM 1216 O THR A 78 5.613 -12.883 1.637 1.00 0.00 O ATOM 1217 CB THR A 78 7.503 -10.501 1.388 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.822 -9.437 2.265 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.075 -10.304 0.928 1.00 0.00 C ATOM 0 H THR A 78 8.158 -12.726 0.208 1.00 0.00 H new ATOM 0 HA THR A 78 8.342 -11.700 2.964 1.00 0.00 H new ATOM 0 HB THR A 78 8.152 -10.501 0.512 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.999 -9.080 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.977 -9.327 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.813 -11.082 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.405 -10.361 1.786 1.00 0.00 H new ATOM 1227 N LYS A 79 6.162 -12.508 3.787 1.00 0.00 N ATOM 1228 CA LYS A 79 4.923 -13.067 4.317 1.00 0.00 C ATOM 1229 C LYS A 79 4.013 -11.964 4.845 1.00 0.00 C ATOM 1230 O LYS A 79 4.476 -11.011 5.472 1.00 0.00 O ATOM 1231 CB LYS A 79 5.228 -14.071 5.429 1.00 0.00 C ATOM 1232 CG LYS A 79 4.139 -15.113 5.623 1.00 0.00 C ATOM 1233 CD LYS A 79 3.510 -15.513 4.299 1.00 0.00 C ATOM 1234 CE LYS A 79 4.561 -15.946 3.291 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.452 -17.007 3.839 1.00 0.00 N ATOM 0 H LYS A 79 6.807 -12.163 4.498 1.00 0.00 H new ATOM 0 HA LYS A 79 4.407 -13.581 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.167 -14.577 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.374 -13.531 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.559 -15.994 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.371 -14.719 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.804 -16.327 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.942 -14.674 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.070 -16.314 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.160 -15.084 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.824 -17.585 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.243 -16.566 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.912 -17.612 4.491 1.00 0.00 H new ATOM 1249 N MET A 80 2.807 -12.294 4.656 1.00 0.00 N ATOM 1250 CA MET A 80 1.800 -11.232 5.088 1.00 0.00 C ATOM 1251 C MET A 80 1.012 -11.759 6.283 1.00 0.00 C ATOM 1252 O MET A 80 0.216 -12.691 6.152 1.00 0.00 O ATOM 1253 CB MET A 80 0.843 -10.863 3.952 1.00 0.00 C ATOM 1254 CG MET A 80 1.384 -9.785 3.027 1.00 0.00 C ATOM 1255 SD MET A 80 1.227 -8.131 3.726 1.00 0.00 S ATOM 1256 CE MET A 80 -0.169 -7.502 2.798 1.00 0.00 C ATOM 0 H MET A 80 2.449 -13.163 4.260 1.00 0.00 H new ATOM 0 HA MET A 80 2.344 -10.328 5.361 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.625 -11.756 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.101 -10.524 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.434 -9.987 2.814 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.852 -9.826 2.077 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.085 -6.531 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.415 -8.197 1.995 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.028 -7.394 3.461 1.00 0.00 H new ATOM 1266 N ILE A 81 1.339 -11.137 7.404 1.00 0.00 N ATOM 1267 CA ILE A 81 0.769 -11.390 8.693 1.00 0.00 C ATOM 1268 C ILE A 81 -0.276 -10.357 9.131 1.00 0.00 C ATOM 1269 O ILE A 81 -0.026 -9.153 9.083 1.00 0.00 O ATOM 1270 CB ILE A 81 1.867 -11.476 9.755 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.880 -12.555 9.393 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.267 -11.733 11.132 1.00 0.00 C ATOM 1273 CD1 ILE A 81 4.031 -12.052 8.552 1.00 0.00 C ATOM 0 H ILE A 81 2.049 -10.405 7.427 1.00 0.00 H new ATOM 0 HA ILE A 81 0.248 -12.343 8.598 1.00 0.00 H new ATOM 0 HB ILE A 81 2.388 -10.519 9.788 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.276 -12.992 10.310 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.370 -13.353 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.065 -11.791 11.872 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.590 -10.919 11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.716 -12.673 11.119 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.710 -12.876 8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.647 -11.642 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.567 -11.275 9.096 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.403 -10.911 9.582 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.378 -10.051 10.034 1.00 0.00 C ATOM 1287 C PHE A 82 -3.240 -9.598 8.860 1.00 0.00 C ATOM 1288 O PHE A 82 -2.854 -9.746 7.700 1.00 0.00 O ATOM 1289 CB PHE A 82 -1.798 -8.833 10.755 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.746 -8.211 11.741 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -2.800 -8.662 13.050 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.584 -7.176 11.357 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.670 -8.092 13.958 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.458 -6.603 12.262 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.501 -7.060 13.564 1.00 0.00 C ATOM 0 H PHE A 82 -1.614 -11.908 9.625 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.983 -10.594 10.760 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.887 -9.129 11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.513 -8.085 10.015 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.154 -9.469 13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.554 -6.813 10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.701 -8.452 14.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.107 -5.798 11.950 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.182 -6.612 14.273 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.410 -9.049 9.171 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.329 -8.573 8.144 1.00 0.00 C ATOM 1307 C ALA A 83 -6.775 -8.849 8.534 1.00 0.00 C ATOM 1308 O ALA A 83 -7.330 -9.897 8.202 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.009 -9.223 6.807 1.00 0.00 C ATOM 0 H ALA A 83 -4.744 -8.923 10.127 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.204 -7.494 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.703 -8.858 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.989 -8.972 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.105 -10.305 6.896 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.385 -7.904 9.243 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.762 -8.067 9.666 1.00 0.00 C ATOM 1317 C GLY A 84 -9.750 -7.752 8.562 1.00 0.00 C ATOM 1318 O GLY A 84 -10.942 -7.580 8.813 1.00 0.00 O ATOM 0 H GLY A 84 -6.949 -7.028 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.916 -9.092 10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.956 -7.417 10.519 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.315 -7.737 7.355 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.160 -7.446 6.203 1.00 0.00 C ATOM 1324 C ILE A 85 -9.894 -8.426 5.066 1.00 0.00 C ATOM 1325 O ILE A 85 -8.768 -8.888 4.882 1.00 0.00 O ATOM 1326 CB ILE A 85 -9.937 -6.011 5.688 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.282 -4.994 6.779 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.772 -5.760 4.441 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.533 -4.192 6.485 1.00 0.00 C ATOM 0 H ILE A 85 -8.343 -7.928 7.111 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.193 -7.548 6.536 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.885 -5.894 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.411 -5.519 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.443 -4.310 6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.604 -4.742 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.484 -6.466 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.828 -5.892 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.716 -3.492 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.401 -3.639 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.383 -4.867 6.388 1.00 0.00 H new ATOM 1341 N LYS A 86 -10.937 -8.737 4.305 1.00 0.00 N ATOM 1342 CA LYS A 86 -10.816 -9.661 3.183 1.00 0.00 C ATOM 1343 C LYS A 86 -11.814 -9.315 2.087 1.00 0.00 C ATOM 1344 O LYS A 86 -11.497 -9.383 0.899 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.033 -11.099 3.655 1.00 0.00 C ATOM 1346 CG LYS A 86 -11.997 -11.218 4.824 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.325 -11.833 6.040 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.016 -11.415 7.329 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.083 -11.435 8.490 1.00 0.00 N ATOM 0 H LYS A 86 -11.876 -8.363 4.444 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.810 -9.570 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.410 -11.693 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.073 -11.527 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.383 -10.231 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.851 -11.828 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.339 -12.920 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.279 -11.529 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.428 -10.413 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.854 -12.084 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.592 -11.144 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.709 -12.397 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.296 -10.778 8.314 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.020 -8.940 2.496 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.066 -8.578 1.552 1.00 0.00 C ATOM 1365 C LYS A 87 -13.482 -7.854 0.343 1.00 0.00 C ATOM 1366 O LYS A 87 -12.924 -6.764 0.472 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.104 -7.693 2.240 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.524 -8.209 2.106 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.095 -8.625 3.452 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.361 -9.448 3.292 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.176 -10.573 2.336 1.00 0.00 N ATOM 0 H LYS A 87 -13.296 -8.879 3.476 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.546 -9.493 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.855 -7.609 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.050 -6.689 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.153 -7.435 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.540 -9.059 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.351 -9.203 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.310 -7.737 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.662 -9.842 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.170 -8.805 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.889 -11.307 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.284 -10.223 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.225 -10.977 2.455 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.614 -8.463 -0.829 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.101 -7.874 -2.060 1.00 0.00 C ATOM 1387 C LYS A 88 -13.557 -6.425 -2.198 1.00 0.00 C ATOM 1388 O LYS A 88 -12.805 -5.568 -2.662 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.564 -8.684 -3.271 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.104 -8.108 -4.601 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.341 -9.084 -5.741 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.443 -10.515 -5.239 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.663 -10.726 -4.412 1.00 0.00 N ATOM 0 H LYS A 88 -14.073 -9.366 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.012 -7.892 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.192 -9.704 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.653 -8.740 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.637 -7.178 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.044 -7.862 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.258 -8.816 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.527 -9.008 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.457 -11.198 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.558 -10.757 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.392 -10.831 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.298 -9.908 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.153 -11.586 -4.730 1.00 0.00 H new ATOM 1407 N THR A 89 -14.795 -6.161 -1.795 1.00 0.00 N ATOM 1408 CA THR A 89 -15.355 -4.818 -1.874 1.00 0.00 C ATOM 1409 C THR A 89 -14.669 -3.860 -0.925 1.00 0.00 C ATOM 1410 O THR A 89 -14.495 -2.625 -1.147 1.00 0.00 O ATOM 1411 CB THR A 89 -16.859 -4.856 -1.604 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.122 -4.747 -0.216 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.524 -6.122 -2.098 1.00 0.00 C ATOM 0 H THR A 89 -15.430 -6.860 -1.410 1.00 0.00 H new ATOM 0 HA THR A 89 -15.183 -4.449 -2.885 1.00 0.00 H new ATOM 0 HB THR A 89 -17.272 -4.010 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.090 -4.772 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.590 -6.084 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.382 -6.211 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.080 -6.984 -1.601 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.159 -4.385 0.212 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.485 -3.601 1.241 1.00 0.00 C ATOM 1423 C GLU A 90 -12.076 -3.240 0.791 1.00 0.00 C ATOM 1424 O GLU A 90 -11.652 -2.093 0.905 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.429 -4.381 2.557 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.790 -4.856 3.039 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.393 -3.934 4.082 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -15.922 -2.869 3.697 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.337 -4.277 5.281 1.00 0.00 O ATOM 0 H GLU A 90 -14.211 -5.380 0.432 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.051 -2.684 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.776 -5.244 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.980 -3.751 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.468 -4.929 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.694 -5.858 3.457 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.424 -4.291 0.302 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.066 -4.095 -0.178 1.00 0.00 C ATOM 1438 C ARG A 91 -10.041 -3.104 -1.338 1.00 0.00 C ATOM 1439 O ARG A 91 -9.275 -2.141 -1.330 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.341 -5.363 -0.631 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.934 -6.272 0.515 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.578 -6.911 0.263 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.609 -8.358 0.462 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.820 -9.207 -0.185 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.941 -8.755 -1.070 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.907 -10.509 0.050 1.00 0.00 N ATOM 0 H ARG A 91 -11.792 -5.240 0.230 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.533 -3.717 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.987 -5.917 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.451 -5.081 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.901 -5.699 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.685 -7.050 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.258 -6.692 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.839 -6.469 0.931 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.274 -8.737 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.871 -7.754 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.335 -9.408 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.582 -10.861 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.299 -11.159 -0.449 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.837 -3.331 -2.265 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.916 -2.460 -3.431 1.00 0.00 C ATOM 1462 C GLU A 92 -11.271 -1.035 -3.021 1.00 0.00 C ATOM 1463 O GLU A 92 -10.740 -0.096 -3.580 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.952 -2.992 -4.423 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.885 -2.327 -5.788 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.577 -2.601 -6.506 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.811 -3.466 -6.033 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.321 -1.950 -7.540 1.00 0.00 O ATOM 0 H GLU A 92 -11.480 -4.122 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.938 -2.448 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.809 -4.066 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.949 -2.848 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.713 -2.681 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.012 -1.251 -5.671 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.225 -0.923 -2.119 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.645 0.387 -1.637 1.00 0.00 C ATOM 1477 C ASP A 93 -11.452 1.169 -1.104 1.00 0.00 C ATOM 1478 O ASP A 93 -11.264 2.342 -1.434 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.703 0.236 -0.542 1.00 0.00 C ATOM 1480 CG ASP A 93 -13.931 1.525 0.224 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.384 1.454 1.385 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.656 2.606 -0.339 1.00 0.00 O ATOM 0 H ASP A 93 -12.723 -1.711 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.077 0.937 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.642 -0.088 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.395 -0.546 0.152 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.587 0.524 -0.218 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.430 1.082 0.295 1.00 0.00 C ATOM 1489 C GLY A 94 -8.488 1.565 -0.788 1.00 0.00 C ATOM 1490 O GLY A 94 -7.860 2.616 -0.651 1.00 0.00 O ATOM 0 H GLY A 94 -10.755 -0.424 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.691 1.918 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.919 0.345 0.914 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.377 0.885 -1.824 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.511 1.235 -2.938 1.00 0.00 C ATOM 1496 C ILE A 95 -7.943 2.477 -3.600 1.00 0.00 C ATOM 1497 O ILE A 95 -7.095 3.287 -3.967 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.527 0.138 -4.015 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.415 -0.870 -3.745 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.384 0.740 -5.408 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.243 -1.884 -4.849 1.00 0.00 C ATOM 0 H ILE A 95 -8.893 0.018 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.515 1.358 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.487 -0.377 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.476 -0.335 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.627 -1.392 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.398 -0.057 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.211 1.426 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.441 1.282 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.436 -2.569 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.169 -2.445 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.000 -1.371 -5.780 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.250 2.704 -3.697 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.758 3.950 -4.256 1.00 0.00 C ATOM 1515 C ALA A 96 -9.202 5.134 -3.477 1.00 0.00 C ATOM 1516 O ALA A 96 -8.688 6.093 -4.057 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.280 3.960 -4.235 1.00 0.00 C ATOM 0 H ALA A 96 -9.970 2.047 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.432 4.031 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.644 4.897 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.658 3.126 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.630 3.864 -3.207 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.291 5.046 -2.154 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.776 6.096 -1.287 1.00 0.00 C ATOM 1525 C TYR A 97 -7.279 6.265 -1.517 1.00 0.00 C ATOM 1526 O TYR A 97 -6.758 7.377 -1.505 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.050 5.761 0.180 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.279 6.625 1.153 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.718 6.080 2.301 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.116 7.985 0.924 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.014 6.866 3.193 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.411 8.777 1.812 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.864 8.213 2.944 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.164 8.999 3.830 1.00 0.00 O ATOM 0 H TYR A 97 -9.714 4.260 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.283 7.031 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.117 5.871 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.799 4.715 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.834 5.025 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.546 8.431 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.583 6.427 4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.290 9.833 1.619 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.150 9.924 3.506 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.602 5.141 -1.736 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.163 5.143 -1.982 1.00 0.00 C ATOM 1546 C LEU A 98 -4.839 5.908 -3.260 1.00 0.00 C ATOM 1547 O LEU A 98 -3.807 6.571 -3.354 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.651 3.706 -2.094 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.433 3.378 -1.232 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.196 1.877 -1.194 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.200 4.102 -1.755 1.00 0.00 C ATOM 0 H LEU A 98 -7.029 4.215 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.669 5.637 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.460 3.027 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.402 3.507 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.627 3.720 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.325 1.662 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.071 1.381 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.022 1.510 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.342 3.857 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.002 3.790 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.372 5.178 -1.730 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.727 5.808 -4.244 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.538 6.485 -5.520 1.00 0.00 C ATOM 1565 C LYS A 99 -5.418 7.991 -5.321 1.00 0.00 C ATOM 1566 O LYS A 99 -4.553 8.637 -5.912 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.698 6.175 -6.466 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.047 4.698 -6.539 1.00 0.00 C ATOM 1569 CD LYS A 99 -5.846 3.862 -6.951 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.043 3.406 -5.744 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.063 2.016 -5.535 1.00 0.00 N ATOM 0 H LYS A 99 -6.587 5.263 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.612 6.118 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.578 6.732 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.445 6.530 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.411 4.361 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.857 4.549 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.183 2.992 -7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.207 4.444 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.009 3.730 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.431 3.902 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.020 1.818 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.940 1.618 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.244 1.582 -6.007 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.287 8.544 -4.482 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.271 9.967 -4.213 1.00 0.00 C ATOM 1587 C LYS A 100 -5.136 10.329 -3.250 1.00 0.00 C ATOM 1588 O LYS A 100 -4.489 11.389 -3.380 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.609 10.414 -3.612 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.468 11.322 -2.401 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.818 11.616 -1.766 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.832 12.075 -2.799 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.589 13.480 -3.230 1.00 0.00 N ATOM 0 H LYS A 100 -7.008 8.025 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.109 10.483 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.185 10.933 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.181 9.531 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.814 10.852 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.993 12.257 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.188 10.722 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.702 12.385 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.790 11.417 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.836 11.991 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.596 13.531 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.337 14.094 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.665 13.798 -2.874 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.907 9.417 -2.297 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.867 9.563 -1.284 1.00 0.00 C ATOM 1609 C ALA A 101 -2.501 9.722 -1.918 1.00 0.00 C ATOM 1610 O ALA A 101 -1.609 10.352 -1.350 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.879 8.373 -0.336 1.00 0.00 C ATOM 0 H ALA A 101 -5.444 8.554 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.078 10.468 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.097 8.497 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.849 8.311 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.699 7.457 -0.899 1.00 0.00 H new ATOM 1617 N THR A 102 -2.342 9.159 -3.107 1.00 0.00 N ATOM 1618 CA THR A 102 -1.091 9.273 -3.828 1.00 0.00 C ATOM 1619 C THR A 102 -1.275 10.349 -4.873 1.00 0.00 C ATOM 1620 O THR A 102 -0.322 10.999 -5.304 1.00 0.00 O ATOM 1621 CB THR A 102 -0.714 7.942 -4.482 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.212 8.145 -5.535 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.906 7.191 -5.036 1.00 0.00 C ATOM 0 H THR A 102 -3.063 8.621 -3.588 1.00 0.00 H new ATOM 0 HA THR A 102 -0.281 9.532 -3.147 1.00 0.00 H new ATOM 0 HB THR A 102 -0.271 7.340 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.272 8.260 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.570 6.257 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.606 6.974 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.401 7.801 -5.792 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.539 10.580 -5.214 1.00 0.00 N ATOM 1632 CA ASN A 103 -2.897 11.637 -6.136 1.00 0.00 C ATOM 1633 C ASN A 103 -4.346 12.067 -5.920 1.00 0.00 C ATOM 1634 O ASN A 103 -5.277 11.328 -6.231 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.699 11.172 -7.582 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.646 10.086 -7.700 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -2.047 8.846 -7.454 1.00 0.00 O flip ATOM 1638 ND2 ASN A 103 -0.488 10.363 -8.011 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.331 10.043 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.247 12.491 -5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.646 10.801 -7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.410 12.023 -8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.226 11.332 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.210 9.623 -8.089 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.577 13.397 -5.452 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.902 13.960 -5.205 1.00 0.00 C ATOM 1647 C GLU A 104 -5.853 14.981 -4.072 1.00 0.00 C ATOM 1648 O GLU A 104 -6.206 16.153 -4.319 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.901 12.859 -4.866 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.569 12.241 -6.079 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.002 12.704 -6.259 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.232 13.659 -7.033 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.895 12.109 -5.622 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.466 14.600 -2.948 1.00 0.00 O ATOM 0 H GLU A 104 -3.819 14.051 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.227 14.462 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.388 12.076 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.669 13.268 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.996 12.492 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.552 11.155 -5.984 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.711 -4.611 3.251 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.456 -4.717 1.266 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.045 -2.909 1.011 1.00 0.00 C HETATM 1665 CHC HEC A 201 -0.967 -5.501 4.809 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.480 -5.712 5.829 1.00 0.00 C HETATM 1667 NA HEC A 201 2.147 -4.142 1.394 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.375 -4.145 0.984 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.476 -2.960 0.154 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.226 -2.275 0.138 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.402 -3.095 0.857 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.767 -1.158 -0.566 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.688 -2.416 -0.635 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.450 -1.048 -1.027 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.778 -0.457 -1.467 1.00 0.00 C HETATM 1676 O1A HEC A 201 5.967 0.725 -1.226 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.561 -1.206 -2.030 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.185 -4.323 2.909 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.521 -3.517 1.990 1.00 0.00 C HETATM 1680 C2B HEC A 201 -1.926 -3.295 2.193 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.277 -4.054 3.348 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.058 -4.679 3.718 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.845 -2.419 1.359 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.655 -4.120 3.893 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.845 -4.061 2.954 1.00 0.00 C HETATM 1686 NC HEC A 201 1.259 -5.348 5.003 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.091 -5.908 5.505 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.106 -6.545 6.663 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.494 -6.624 6.947 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.118 -5.879 5.928 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.036 -7.169 7.457 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.114 -7.305 8.098 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.493 -8.748 8.390 1.00 0.00 C HETATM 1694 ND HEC A 201 3.597 -5.124 3.505 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.187 -5.585 4.657 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.581 -5.893 4.481 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.852 -5.612 3.195 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.639 -5.131 2.567 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.541 -6.424 5.536 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.169 -5.742 2.434 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.061 -6.616 1.194 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.665 -7.223 1.090 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.200 -7.356 -0.031 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.114 -7.530 2.137 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.604 -5.714 6.361 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.178 -7.382 5.909 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.529 -6.557 5.095 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.766 -6.400 7.709 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.516 -7.943 6.858 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.643 -7.611 8.373 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.485 -1.390 1.380 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.856 -2.779 0.330 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.855 -2.458 1.768 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.387 -0.295 -0.323 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 1.823 -1.355 -1.637 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.733 -0.952 -0.288 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.274 -6.023 0.304 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.807 -7.409 1.235 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.601 -9.374 8.349 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.213 -9.093 7.647 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.937 -8.814 9.383 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.825 -3.122 2.400 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.798 -4.896 2.255 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.767 -4.123 3.531 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.724 -1.003 -1.839 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.034 -0.479 -0.196 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.512 -4.749 2.142 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.926 -6.158 3.099 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.587 -2.476 -0.022 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 4.863 -3.031 -1.518 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.047 -5.677 6.759 1.00 0.00 H new HETATM 0 HHC HEC A 201 -1.921 -5.887 5.167 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.523 -2.274 0.331 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.223 -4.880 0.509 1.00 0.00 H new