USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ -117:sc= -2.11! (180deg=-1.01) USER MOD Set 1.2: A 94 ASN : amide:sc= -1.33! C(o=-3.4!,f=-19!) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.126 USER MOD Set 2.2: A 85 MET CE :methyl 176:sc= -0.925 (180deg=-0.998) USER MOD Single : A 4 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 15 SER OG : rot -43:sc= 0.417 USER MOD Single : A 16 THR OG1 : rot -41:sc= 1.26 USER MOD Single : A 17 MET CE :methyl 176:sc= 0 (180deg=-0.0212) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.34! C(o=-3.3!,f=-12!) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.039 F(o=-1.4,f=-0.039) USER MOD Single : A 44 ASN : amide:sc=-0.00582 X(o=-0.0058,f=-0.095) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0.107 (180deg=0.0254) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.643 F(o=-9.1!,f=-0.64) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.221 F(o=-1.6,f=-0.22) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= -0.0801 (180deg=-0.558) USER MOD Single : A 71 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 78 MET CE :methyl 166:sc= 0 (180deg=-0.107) USER MOD Single : A 79 SER OG : rot 0:sc= 0.361! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.247) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.16 F(o=-1.7!,f=-1.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -130:sc= -2.98! USER MOD Single : A 109 LYS NZ :NH3+ 150:sc= -0.209 (180deg=-1.3!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 55:sc= 0.00276! USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0.745 (180deg=0.645) USER MOD Single : A 121 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.016) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 158:sc= -0.16 (180deg=-0.772) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.747 -0.051 7.702 1.00 0.00 N ATOM 2 CA ALA A 2 -12.833 0.777 8.539 1.00 0.00 C ATOM 3 C ALA A 2 -13.132 2.261 8.299 1.00 0.00 C ATOM 4 O ALA A 2 -14.122 2.611 7.689 1.00 0.00 O ATOM 5 CB ALA A 2 -11.380 0.470 8.160 1.00 0.00 C ATOM 0 HA ALA A 2 -12.986 0.545 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.709 1.074 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.175 -0.587 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.221 0.704 7.107 1.00 0.00 H new ATOM 11 N ASP A 3 -12.287 3.136 8.777 1.00 0.00 N ATOM 12 CA ASP A 3 -12.528 4.596 8.578 1.00 0.00 C ATOM 13 C ASP A 3 -12.911 4.860 7.120 1.00 0.00 C ATOM 14 O ASP A 3 -12.099 4.754 6.229 1.00 0.00 O ATOM 15 CB ASP A 3 -11.254 5.373 8.919 1.00 0.00 C ATOM 16 CG ASP A 3 -11.260 5.737 10.405 1.00 0.00 C ATOM 17 OD1 ASP A 3 -11.282 4.826 11.217 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.241 6.919 10.705 1.00 0.00 O ATOM 0 H ASP A 3 -11.441 2.903 9.296 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.339 4.921 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.375 4.772 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.193 6.277 8.313 1.00 0.00 H new ATOM 23 N LYS A 4 -14.144 5.209 6.872 1.00 0.00 N ATOM 24 CA LYS A 4 -14.588 5.478 5.471 1.00 0.00 C ATOM 25 C LYS A 4 -13.718 6.560 4.828 1.00 0.00 C ATOM 26 O LYS A 4 -14.004 7.022 3.743 1.00 0.00 O ATOM 27 CB LYS A 4 -16.042 5.957 5.472 1.00 0.00 C ATOM 28 CG LYS A 4 -16.978 4.808 5.858 1.00 0.00 C ATOM 29 CD LYS A 4 -17.934 4.526 4.696 1.00 0.00 C ATOM 30 CE LYS A 4 -18.910 3.415 5.087 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.231 4.014 5.430 1.00 0.00 N ATOM 0 H LYS A 4 -14.868 5.320 7.582 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.496 4.554 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.160 6.783 6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.308 6.336 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.399 3.915 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.542 5.068 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.483 5.431 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.369 4.232 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.021 2.708 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.520 2.856 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.896 3.260 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.117 4.672 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.603 4.529 4.606 1.00 0.00 H new ATOM 45 N GLU A 5 -12.667 6.972 5.478 1.00 0.00 N ATOM 46 CA GLU A 5 -11.789 8.017 4.893 1.00 0.00 C ATOM 47 C GLU A 5 -10.337 7.680 5.225 1.00 0.00 C ATOM 48 O GLU A 5 -9.578 8.538 5.632 1.00 0.00 O ATOM 49 CB GLU A 5 -12.140 9.380 5.499 1.00 0.00 C ATOM 50 CG GLU A 5 -13.406 9.931 4.839 1.00 0.00 C ATOM 51 CD GLU A 5 -13.986 11.050 5.706 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.349 11.405 6.684 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.057 11.532 5.376 1.00 0.00 O ATOM 0 H GLU A 5 -12.378 6.627 6.394 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.929 8.054 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.293 9.282 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.313 10.075 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.175 10.310 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.140 9.135 4.714 1.00 0.00 H new ATOM 60 N LEU A 6 -9.926 6.446 5.067 1.00 0.00 N ATOM 61 CA LEU A 6 -8.516 6.129 5.398 1.00 0.00 C ATOM 62 C LEU A 6 -7.620 6.639 4.268 1.00 0.00 C ATOM 63 O LEU A 6 -7.618 6.111 3.187 1.00 0.00 O ATOM 64 CB LEU A 6 -8.345 4.618 5.580 1.00 0.00 C ATOM 65 CG LEU A 6 -6.919 4.306 6.050 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.642 4.976 7.396 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.757 2.797 6.208 1.00 0.00 C ATOM 0 H LEU A 6 -10.493 5.667 4.732 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.235 6.616 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.066 4.247 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.548 4.105 4.640 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.216 4.686 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.626 4.745 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.754 6.056 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.349 4.606 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.744 2.573 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.472 2.429 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.940 2.309 5.250 1.00 0.00 H new ATOM 79 N LYS A 7 -6.882 7.685 4.505 1.00 0.00 N ATOM 80 CA LYS A 7 -6.012 8.257 3.434 1.00 0.00 C ATOM 81 C LYS A 7 -5.172 7.166 2.750 1.00 0.00 C ATOM 82 O LYS A 7 -4.287 6.582 3.349 1.00 0.00 O ATOM 83 CB LYS A 7 -5.078 9.297 4.055 1.00 0.00 C ATOM 84 CG LYS A 7 -5.707 10.687 3.936 1.00 0.00 C ATOM 85 CD LYS A 7 -4.932 11.673 4.811 1.00 0.00 C ATOM 86 CE LYS A 7 -5.554 13.066 4.691 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.474 14.078 4.511 1.00 0.00 N ATOM 0 H LYS A 7 -6.842 8.174 5.399 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.651 8.716 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.896 9.058 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.112 9.280 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.693 11.017 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.752 10.653 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.950 11.344 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.887 11.703 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.241 13.098 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.136 13.294 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.896 15.025 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.835 14.053 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.937 13.863 3.647 1.00 0.00 H new ATOM 101 N PHE A 8 -5.430 6.912 1.483 1.00 0.00 N ATOM 102 CA PHE A 8 -4.641 5.894 0.735 1.00 0.00 C ATOM 103 C PHE A 8 -3.673 6.613 -0.200 1.00 0.00 C ATOM 104 O PHE A 8 -3.920 7.727 -0.616 1.00 0.00 O ATOM 105 CB PHE A 8 -5.562 5.036 -0.145 1.00 0.00 C ATOM 106 CG PHE A 8 -6.342 4.051 0.687 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.563 4.430 1.234 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.848 2.759 0.905 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.294 3.526 2.010 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.584 1.851 1.683 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.804 2.240 2.237 1.00 0.00 C ATOM 0 H PHE A 8 -6.159 7.373 0.939 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.119 5.265 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.250 5.680 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.968 4.501 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.947 5.424 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.903 2.462 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.241 3.824 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.206 0.853 1.852 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.369 1.546 2.841 1.00 0.00 H new ATOM 121 N LEU A 9 -2.595 5.973 -0.563 1.00 0.00 N ATOM 122 CA LEU A 9 -1.634 6.606 -1.516 1.00 0.00 C ATOM 123 C LEU A 9 -1.319 5.594 -2.617 1.00 0.00 C ATOM 124 O LEU A 9 -0.571 4.657 -2.421 1.00 0.00 O ATOM 125 CB LEU A 9 -0.350 7.015 -0.789 1.00 0.00 C ATOM 126 CG LEU A 9 0.641 7.631 -1.781 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.015 8.850 -2.462 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.899 8.061 -1.031 1.00 0.00 C ATOM 0 H LEU A 9 -2.337 5.040 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.075 7.505 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.581 7.732 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.098 6.146 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 9 0.895 6.891 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.728 9.280 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.884 8.546 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.246 9.594 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.608 8.500 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.636 8.797 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.352 7.193 -0.553 1.00 0.00 H new ATOM 140 N VAL A 10 -1.897 5.772 -3.774 1.00 0.00 N ATOM 141 CA VAL A 10 -1.648 4.815 -4.887 1.00 0.00 C ATOM 142 C VAL A 10 -0.458 5.292 -5.725 1.00 0.00 C ATOM 143 O VAL A 10 -0.550 6.258 -6.460 1.00 0.00 O ATOM 144 CB VAL A 10 -2.900 4.726 -5.766 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.228 3.260 -6.045 1.00 0.00 C ATOM 146 CG2 VAL A 10 -4.082 5.371 -5.040 1.00 0.00 C ATOM 0 H VAL A 10 -2.531 6.540 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.420 3.831 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.715 5.247 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.119 3.199 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.390 2.791 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.410 2.742 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.972 5.307 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.261 4.848 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.856 6.418 -4.836 1.00 0.00 H new ATOM 156 N VAL A 11 0.659 4.618 -5.614 1.00 0.00 N ATOM 157 CA VAL A 11 1.864 5.009 -6.385 1.00 0.00 C ATOM 158 C VAL A 11 2.111 3.988 -7.498 1.00 0.00 C ATOM 159 O VAL A 11 2.548 2.881 -7.251 1.00 0.00 O ATOM 160 CB VAL A 11 3.069 5.055 -5.444 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.313 5.515 -6.208 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.778 6.039 -4.311 1.00 0.00 C ATOM 0 H VAL A 11 0.782 3.804 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 11 1.715 5.993 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 11 3.249 4.060 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.166 5.545 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.519 4.818 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.141 6.510 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.632 6.078 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.599 7.030 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.895 5.711 -3.762 1.00 0.00 H new ATOM 172 N ASP A 12 1.831 4.352 -8.722 1.00 0.00 N ATOM 173 CA ASP A 12 2.044 3.408 -9.856 1.00 0.00 C ATOM 174 C ASP A 12 2.587 4.177 -11.062 1.00 0.00 C ATOM 175 O ASP A 12 3.062 5.288 -10.939 1.00 0.00 O ATOM 176 CB ASP A 12 0.713 2.752 -10.228 1.00 0.00 C ATOM 177 CG ASP A 12 -0.335 3.083 -9.164 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.803 4.210 -9.152 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.652 2.205 -8.379 1.00 0.00 O ATOM 0 H ASP A 12 1.463 5.266 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 12 2.759 2.640 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.381 3.107 -11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.837 1.672 -10.307 1.00 0.00 H new ATOM 184 N ASP A 13 2.524 3.594 -12.229 1.00 0.00 N ATOM 185 CA ASP A 13 3.040 4.293 -13.439 1.00 0.00 C ATOM 186 C ASP A 13 2.231 3.860 -14.664 1.00 0.00 C ATOM 187 O ASP A 13 2.533 4.232 -15.780 1.00 0.00 O ATOM 188 CB ASP A 13 4.512 3.931 -13.646 1.00 0.00 C ATOM 189 CG ASP A 13 5.216 3.859 -12.290 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.900 2.961 -11.527 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.060 4.703 -12.038 1.00 0.00 O ATOM 0 H ASP A 13 2.138 2.665 -12.396 1.00 0.00 H new ATOM 0 HA ASP A 13 2.945 5.370 -13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.593 2.974 -14.161 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.995 4.675 -14.279 1.00 0.00 H new ATOM 196 N PHE A 14 1.207 3.074 -14.466 1.00 0.00 N ATOM 197 CA PHE A 14 0.384 2.619 -15.622 1.00 0.00 C ATOM 198 C PHE A 14 -0.739 3.626 -15.880 1.00 0.00 C ATOM 199 O PHE A 14 -1.029 4.469 -15.054 1.00 0.00 O ATOM 200 CB PHE A 14 -0.219 1.247 -15.313 1.00 0.00 C ATOM 201 CG PHE A 14 0.140 0.280 -16.415 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.600 0.266 -17.604 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.214 -0.604 -16.250 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.267 -0.630 -18.627 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.547 -1.500 -17.272 1.00 0.00 C ATOM 206 CZ PHE A 14 0.807 -1.513 -18.460 1.00 0.00 C ATOM 0 H PHE A 14 0.906 2.728 -13.555 1.00 0.00 H new ATOM 0 HA PHE A 14 1.014 2.546 -16.508 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.155 0.881 -14.357 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.302 1.326 -15.223 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.428 0.947 -17.732 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.785 -0.594 -15.334 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.838 -0.640 -19.544 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.375 -2.182 -17.144 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.065 -2.205 -19.249 1.00 0.00 H new ATOM 216 N SER A 15 -1.370 3.545 -17.022 1.00 0.00 N ATOM 217 CA SER A 15 -2.472 4.498 -17.341 1.00 0.00 C ATOM 218 C SER A 15 -3.823 3.846 -17.037 1.00 0.00 C ATOM 219 O SER A 15 -4.865 4.368 -17.383 1.00 0.00 O ATOM 220 CB SER A 15 -2.410 4.866 -18.823 1.00 0.00 C ATOM 221 OG SER A 15 -3.272 5.969 -19.069 1.00 0.00 O ATOM 0 H SER A 15 -1.169 2.858 -17.749 1.00 0.00 H new ATOM 0 HA SER A 15 -2.360 5.396 -16.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.388 5.119 -19.104 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.707 4.014 -19.434 1.00 0.00 H new ATOM 0 HG SER A 15 -4.119 5.834 -18.596 1.00 0.00 H new ATOM 227 N THR A 16 -3.819 2.710 -16.395 1.00 0.00 N ATOM 228 CA THR A 16 -5.107 2.033 -16.075 1.00 0.00 C ATOM 229 C THR A 16 -4.959 1.232 -14.781 1.00 0.00 C ATOM 230 O THR A 16 -5.820 0.453 -14.421 1.00 0.00 O ATOM 231 CB THR A 16 -5.487 1.090 -17.220 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.666 0.379 -16.872 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.346 0.102 -17.468 1.00 0.00 C ATOM 0 H THR A 16 -2.981 2.222 -16.079 1.00 0.00 H new ATOM 0 HA THR A 16 -5.888 2.783 -15.948 1.00 0.00 H new ATOM 0 HB THR A 16 -5.666 1.669 -18.126 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.617 0.104 -15.933 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.617 -0.569 -18.283 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.442 0.650 -17.734 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.165 -0.479 -16.564 1.00 0.00 H new ATOM 241 N MET A 17 -3.876 1.416 -14.078 1.00 0.00 N ATOM 242 CA MET A 17 -3.679 0.664 -12.807 1.00 0.00 C ATOM 243 C MET A 17 -4.217 1.491 -11.639 1.00 0.00 C ATOM 244 O MET A 17 -4.939 0.995 -10.796 1.00 0.00 O ATOM 245 CB MET A 17 -2.188 0.394 -12.596 1.00 0.00 C ATOM 246 CG MET A 17 -1.965 -0.154 -11.186 1.00 0.00 C ATOM 247 SD MET A 17 -0.380 -1.025 -11.119 1.00 0.00 S ATOM 248 CE MET A 17 -0.471 -1.524 -9.382 1.00 0.00 C ATOM 0 H MET A 17 -3.120 2.053 -14.328 1.00 0.00 H new ATOM 0 HA MET A 17 -4.214 -0.284 -12.860 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.828 -0.320 -13.337 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.618 1.312 -12.735 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.975 0.661 -10.462 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.775 -0.831 -10.915 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.389 -2.147 -9.137 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.469 -0.637 -8.748 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.388 -2.089 -9.213 1.00 0.00 H new ATOM 258 N ARG A 18 -3.876 2.749 -11.582 1.00 0.00 N ATOM 259 CA ARG A 18 -4.373 3.605 -10.467 1.00 0.00 C ATOM 260 C ARG A 18 -5.886 3.677 -10.527 1.00 0.00 C ATOM 261 O ARG A 18 -6.552 3.875 -9.531 1.00 0.00 O ATOM 262 CB ARG A 18 -3.790 5.016 -10.603 1.00 0.00 C ATOM 263 CG ARG A 18 -4.787 5.978 -11.273 1.00 0.00 C ATOM 264 CD ARG A 18 -4.058 7.269 -11.650 1.00 0.00 C ATOM 265 NE ARG A 18 -3.566 7.172 -13.053 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.304 7.373 -13.318 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.387 6.688 -12.689 1.00 0.00 N ATOM 268 NH2 ARG A 18 -1.957 8.260 -14.211 1.00 0.00 N ATOM 0 H ARG A 18 -3.276 3.221 -12.258 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.064 3.176 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.523 5.397 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.872 4.976 -11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.217 5.516 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.613 6.196 -10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.730 8.121 -11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.222 7.438 -10.971 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.216 6.948 -13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.657 5.996 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.401 6.845 -12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.672 8.796 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.971 8.417 -14.418 1.00 0.00 H new ATOM 282 N ARG A 19 -6.437 3.554 -11.697 1.00 0.00 N ATOM 283 CA ARG A 19 -7.903 3.659 -11.815 1.00 0.00 C ATOM 284 C ARG A 19 -8.565 2.451 -11.144 1.00 0.00 C ATOM 285 O ARG A 19 -9.433 2.589 -10.306 1.00 0.00 O ATOM 286 CB ARG A 19 -8.303 3.714 -13.290 1.00 0.00 C ATOM 287 CG ARG A 19 -9.829 3.685 -13.405 1.00 0.00 C ATOM 288 CD ARG A 19 -10.260 4.362 -14.707 1.00 0.00 C ATOM 289 NE ARG A 19 -9.681 3.623 -15.864 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.055 2.398 -16.111 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.322 2.086 -16.087 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.165 1.485 -16.384 1.00 0.00 N ATOM 0 H ARG A 19 -5.935 3.386 -12.569 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.236 4.571 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.910 4.620 -13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.871 2.870 -13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.186 2.655 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.277 4.195 -12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.348 4.378 -14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.925 5.399 -14.719 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.991 4.076 -16.464 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.019 2.800 -15.875 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.615 1.128 -16.280 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.175 1.728 -16.405 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.459 0.528 -16.577 1.00 0.00 H new ATOM 306 N ILE A 20 -8.159 1.268 -11.512 1.00 0.00 N ATOM 307 CA ILE A 20 -8.757 0.044 -10.907 1.00 0.00 C ATOM 308 C ILE A 20 -8.834 0.205 -9.387 1.00 0.00 C ATOM 309 O ILE A 20 -9.878 0.046 -8.787 1.00 0.00 O ATOM 310 CB ILE A 20 -7.880 -1.167 -11.260 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.445 -1.851 -12.507 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.846 -2.176 -10.103 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.406 -2.820 -13.073 1.00 0.00 C ATOM 0 H ILE A 20 -7.435 1.095 -12.209 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.763 -0.107 -11.297 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.864 -0.818 -11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.360 -2.388 -12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.708 -1.105 -13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.219 -3.024 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.438 -1.696 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.857 -2.525 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.809 -3.307 -13.961 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.503 -2.271 -13.338 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.165 -3.574 -12.323 1.00 0.00 H new ATOM 325 N VAL A 21 -7.729 0.490 -8.761 1.00 0.00 N ATOM 326 CA VAL A 21 -7.726 0.629 -7.278 1.00 0.00 C ATOM 327 C VAL A 21 -8.650 1.772 -6.841 1.00 0.00 C ATOM 328 O VAL A 21 -9.396 1.646 -5.891 1.00 0.00 O ATOM 329 CB VAL A 21 -6.303 0.896 -6.786 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.887 -0.226 -5.838 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.347 0.926 -7.978 1.00 0.00 C ATOM 0 H VAL A 21 -6.825 0.633 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.092 -0.300 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.268 1.855 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.873 -0.044 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.570 -0.257 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.921 -1.179 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.333 1.116 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.378 -0.034 -8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.647 1.717 -8.665 1.00 0.00 H new ATOM 341 N ARG A 22 -8.606 2.885 -7.518 1.00 0.00 N ATOM 342 CA ARG A 22 -9.484 4.031 -7.130 1.00 0.00 C ATOM 343 C ARG A 22 -10.912 3.533 -6.898 1.00 0.00 C ATOM 344 O ARG A 22 -11.493 3.741 -5.852 1.00 0.00 O ATOM 345 CB ARG A 22 -9.493 5.062 -8.261 1.00 0.00 C ATOM 346 CG ARG A 22 -8.649 6.280 -7.868 1.00 0.00 C ATOM 347 CD ARG A 22 -8.748 7.355 -8.956 1.00 0.00 C ATOM 348 NE ARG A 22 -9.088 6.721 -10.261 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.658 7.249 -11.375 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.099 8.428 -11.365 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.789 6.598 -12.498 1.00 0.00 N ATOM 0 H ARG A 22 -8.002 3.054 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.104 4.483 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.099 4.616 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.516 5.372 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.995 6.681 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.609 5.984 -7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.509 8.088 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.803 7.892 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.657 5.875 -10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.998 8.937 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.763 8.841 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.227 5.677 -12.505 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.453 7.010 -13.369 1.00 0.00 H new ATOM 365 N ASN A 23 -11.478 2.875 -7.869 1.00 0.00 N ATOM 366 CA ASN A 23 -12.855 2.353 -7.734 1.00 0.00 C ATOM 367 C ASN A 23 -12.877 1.286 -6.651 1.00 0.00 C ATOM 368 O ASN A 23 -13.635 1.343 -5.704 1.00 0.00 O ATOM 369 CB ASN A 23 -13.214 1.707 -9.055 1.00 0.00 C ATOM 370 CG ASN A 23 -14.619 2.131 -9.487 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.591 1.817 -8.828 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.768 2.835 -10.576 1.00 0.00 N ATOM 0 H ASN A 23 -11.032 2.676 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.553 3.149 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.489 1.994 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.166 0.622 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.700 3.122 -10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.952 3.098 -11.129 1.00 0.00 H new ATOM 379 N LEU A 24 -12.037 0.311 -6.816 1.00 0.00 N ATOM 380 CA LEU A 24 -11.946 -0.808 -5.840 1.00 0.00 C ATOM 381 C LEU A 24 -12.078 -0.267 -4.413 1.00 0.00 C ATOM 382 O LEU A 24 -12.923 -0.697 -3.653 1.00 0.00 O ATOM 383 CB LEU A 24 -10.574 -1.455 -6.017 1.00 0.00 C ATOM 384 CG LEU A 24 -10.536 -2.880 -5.428 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.265 -3.889 -6.549 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.418 -3.007 -4.383 1.00 0.00 C ATOM 0 H LEU A 24 -11.393 0.239 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.743 -1.532 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.323 -1.492 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.816 -0.840 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.498 -3.080 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.238 -4.896 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.057 -3.825 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.307 -3.664 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.409 -4.020 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.457 -2.794 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.593 -2.297 -3.575 1.00 0.00 H new ATOM 398 N LEU A 25 -11.251 0.674 -4.042 1.00 0.00 N ATOM 399 CA LEU A 25 -11.339 1.236 -2.665 1.00 0.00 C ATOM 400 C LEU A 25 -12.723 1.846 -2.463 1.00 0.00 C ATOM 401 O LEU A 25 -13.394 1.575 -1.488 1.00 0.00 O ATOM 402 CB LEU A 25 -10.275 2.326 -2.475 1.00 0.00 C ATOM 403 CG LEU A 25 -8.905 1.695 -2.195 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.848 2.799 -2.140 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.921 0.953 -0.851 1.00 0.00 C ATOM 0 H LEU A 25 -10.522 1.076 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.171 0.440 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.220 2.948 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.557 2.978 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.673 0.986 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.871 2.358 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.821 3.325 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.097 3.502 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.942 0.511 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.158 1.654 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.675 0.166 -0.879 1.00 0.00 H new ATOM 417 N LYS A 26 -13.158 2.670 -3.376 1.00 0.00 N ATOM 418 CA LYS A 26 -14.497 3.288 -3.229 1.00 0.00 C ATOM 419 C LYS A 26 -15.529 2.191 -2.973 1.00 0.00 C ATOM 420 O LYS A 26 -16.487 2.381 -2.252 1.00 0.00 O ATOM 421 CB LYS A 26 -14.858 4.049 -4.508 1.00 0.00 C ATOM 422 CG LYS A 26 -16.339 4.434 -4.473 1.00 0.00 C ATOM 423 CD LYS A 26 -16.603 5.543 -5.494 1.00 0.00 C ATOM 424 CE LYS A 26 -18.079 5.940 -5.447 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.642 5.926 -6.826 1.00 0.00 N ATOM 0 H LYS A 26 -12.643 2.939 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.489 3.985 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.241 4.943 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.653 3.431 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.957 3.564 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.614 4.772 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.976 6.408 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.339 5.201 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.632 5.250 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.186 6.933 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.646 6.196 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.121 6.601 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.553 4.971 -7.228 1.00 0.00 H new ATOM 439 N GLU A 27 -15.338 1.037 -3.559 1.00 0.00 N ATOM 440 CA GLU A 27 -16.305 -0.069 -3.349 1.00 0.00 C ATOM 441 C GLU A 27 -16.402 -0.387 -1.854 1.00 0.00 C ATOM 442 O GLU A 27 -17.427 -0.819 -1.367 1.00 0.00 O ATOM 443 CB GLU A 27 -15.831 -1.312 -4.106 1.00 0.00 C ATOM 444 CG GLU A 27 -17.029 -1.985 -4.781 1.00 0.00 C ATOM 445 CD GLU A 27 -16.561 -3.241 -5.517 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.599 -3.843 -5.068 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.171 -3.580 -6.517 1.00 0.00 O ATOM 0 H GLU A 27 -14.553 0.818 -4.173 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.285 0.231 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.087 -1.035 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.349 -2.008 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.780 -2.246 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.500 -1.295 -5.481 1.00 0.00 H new ATOM 454 N LEU A 28 -15.339 -0.181 -1.125 1.00 0.00 N ATOM 455 CA LEU A 28 -15.369 -0.474 0.336 1.00 0.00 C ATOM 456 C LEU A 28 -15.889 0.748 1.099 1.00 0.00 C ATOM 457 O LEU A 28 -16.262 0.651 2.253 1.00 0.00 O ATOM 458 CB LEU A 28 -13.959 -0.827 0.816 1.00 0.00 C ATOM 459 CG LEU A 28 -13.681 -2.307 0.539 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.203 -2.497 0.188 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.017 -3.131 1.784 1.00 0.00 C ATOM 0 H LEU A 28 -14.452 0.177 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.034 -1.318 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.223 -0.206 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.864 -0.622 1.882 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.297 -2.639 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.008 -3.551 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.962 -1.912 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.585 -2.163 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.819 -4.185 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.402 -2.796 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.070 -3.000 2.034 1.00 0.00 H new ATOM 473 N GLY A 29 -15.938 1.891 0.460 1.00 0.00 N ATOM 474 CA GLY A 29 -16.457 3.110 1.133 1.00 0.00 C ATOM 475 C GLY A 29 -15.311 4.018 1.599 1.00 0.00 C ATOM 476 O GLY A 29 -15.328 4.515 2.706 1.00 0.00 O ATOM 0 H GLY A 29 -15.638 2.027 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.104 3.659 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.068 2.824 1.989 1.00 0.00 H new ATOM 480 N PHE A 30 -14.334 4.258 0.760 1.00 0.00 N ATOM 481 CA PHE A 30 -13.199 5.156 1.149 1.00 0.00 C ATOM 482 C PHE A 30 -13.190 6.376 0.220 1.00 0.00 C ATOM 483 O PHE A 30 -13.232 6.236 -0.987 1.00 0.00 O ATOM 484 CB PHE A 30 -11.869 4.417 0.993 1.00 0.00 C ATOM 485 CG PHE A 30 -11.743 3.316 2.029 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.600 3.619 3.395 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.756 1.981 1.612 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.471 2.576 4.327 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.629 0.949 2.545 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.488 1.245 3.901 1.00 0.00 C ATOM 0 H PHE A 30 -14.272 3.870 -0.181 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.326 5.464 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.799 3.991 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.042 5.119 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.589 4.647 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.865 1.747 0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.358 2.803 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.640 -0.080 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.392 0.446 4.621 1.00 0.00 H new ATOM 500 N ASN A 31 -13.139 7.568 0.767 1.00 0.00 N ATOM 501 CA ASN A 31 -13.129 8.793 -0.086 1.00 0.00 C ATOM 502 C ASN A 31 -11.958 9.699 0.329 1.00 0.00 C ATOM 503 O ASN A 31 -12.143 10.779 0.854 1.00 0.00 O ATOM 504 CB ASN A 31 -14.458 9.532 0.093 1.00 0.00 C ATOM 505 CG ASN A 31 -15.065 9.175 1.450 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.351 8.926 2.399 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.362 9.141 1.581 1.00 0.00 N ATOM 0 H ASN A 31 -13.104 7.743 1.771 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.005 8.518 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.299 10.608 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.147 9.261 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.778 8.905 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.961 9.351 0.782 1.00 0.00 H new ATOM 514 N ASN A 32 -10.750 9.263 0.086 1.00 0.00 N ATOM 515 CA ASN A 32 -9.557 10.083 0.450 1.00 0.00 C ATOM 516 C ASN A 32 -8.297 9.380 -0.065 1.00 0.00 C ATOM 517 O ASN A 32 -7.765 8.495 0.577 1.00 0.00 O ATOM 518 CB ASN A 32 -9.472 10.232 1.976 1.00 0.00 C ATOM 519 CG ASN A 32 -8.751 11.536 2.322 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.959 12.082 1.440 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -8.911 12.063 3.404 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.537 8.367 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.642 11.072 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.473 10.232 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.939 9.384 2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.530 11.636 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.426 12.933 3.624 1.00 0.00 H new ATOM 528 N VAL A 33 -7.826 9.742 -1.229 1.00 0.00 N ATOM 529 CA VAL A 33 -6.616 9.061 -1.773 1.00 0.00 C ATOM 530 C VAL A 33 -5.810 10.012 -2.667 1.00 0.00 C ATOM 531 O VAL A 33 -6.364 10.870 -3.326 1.00 0.00 O ATOM 532 CB VAL A 33 -7.065 7.859 -2.605 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.085 8.319 -3.649 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.858 7.247 -3.312 1.00 0.00 C ATOM 0 H VAL A 33 -8.222 10.472 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.985 8.744 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.519 7.114 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.407 7.464 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.947 8.757 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.628 9.063 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.179 6.390 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.404 7.991 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.128 6.922 -2.570 1.00 0.00 H new ATOM 544 N GLU A 34 -4.506 9.840 -2.713 1.00 0.00 N ATOM 545 CA GLU A 34 -3.655 10.701 -3.586 1.00 0.00 C ATOM 546 C GLU A 34 -2.901 9.795 -4.556 1.00 0.00 C ATOM 547 O GLU A 34 -3.202 8.624 -4.671 1.00 0.00 O ATOM 548 CB GLU A 34 -2.668 11.497 -2.734 1.00 0.00 C ATOM 549 CG GLU A 34 -3.296 12.847 -2.372 1.00 0.00 C ATOM 550 CD GLU A 34 -3.063 13.839 -3.512 1.00 0.00 C ATOM 551 OE1 GLU A 34 -3.828 13.811 -4.461 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.124 14.612 -3.415 1.00 0.00 O ATOM 0 H GLU A 34 -3.998 9.135 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.275 11.407 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.420 10.943 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.737 11.649 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.364 12.727 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.859 13.228 -1.449 1.00 0.00 H new ATOM 559 N GLU A 35 -1.940 10.313 -5.264 1.00 0.00 N ATOM 560 CA GLU A 35 -1.202 9.453 -6.233 1.00 0.00 C ATOM 561 C GLU A 35 0.239 9.935 -6.394 1.00 0.00 C ATOM 562 O GLU A 35 0.550 11.093 -6.203 1.00 0.00 O ATOM 563 CB GLU A 35 -1.898 9.513 -7.596 1.00 0.00 C ATOM 564 CG GLU A 35 -3.327 8.981 -7.475 1.00 0.00 C ATOM 565 CD GLU A 35 -3.914 8.777 -8.872 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.486 9.471 -9.780 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.780 7.929 -9.011 1.00 0.00 O ATOM 0 H GLU A 35 -1.634 11.285 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.195 8.431 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.913 10.540 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.342 8.923 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.331 8.039 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.941 9.682 -6.910 1.00 0.00 H new ATOM 574 N ALA A 36 1.115 9.043 -6.770 1.00 0.00 N ATOM 575 CA ALA A 36 2.540 9.420 -6.980 1.00 0.00 C ATOM 576 C ALA A 36 3.060 8.665 -8.206 1.00 0.00 C ATOM 577 O ALA A 36 2.299 8.029 -8.908 1.00 0.00 O ATOM 578 CB ALA A 36 3.364 9.050 -5.745 1.00 0.00 C ATOM 0 H ALA A 36 0.901 8.061 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 36 2.626 10.495 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.405 9.329 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.976 9.582 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.298 7.976 -5.572 1.00 0.00 H new ATOM 584 N GLU A 37 4.337 8.734 -8.481 1.00 0.00 N ATOM 585 CA GLU A 37 4.878 8.020 -9.679 1.00 0.00 C ATOM 586 C GLU A 37 6.221 7.361 -9.353 1.00 0.00 C ATOM 587 O GLU A 37 6.953 6.971 -10.242 1.00 0.00 O ATOM 588 CB GLU A 37 5.076 9.019 -10.825 1.00 0.00 C ATOM 589 CG GLU A 37 3.834 9.902 -10.967 1.00 0.00 C ATOM 590 CD GLU A 37 2.622 9.034 -11.306 1.00 0.00 C ATOM 591 OE1 GLU A 37 2.812 8.001 -11.927 1.00 0.00 O ATOM 592 OE2 GLU A 37 1.523 9.417 -10.939 1.00 0.00 O ATOM 0 H GLU A 37 5.025 9.250 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 37 4.166 7.249 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.953 9.638 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.261 8.485 -11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.655 10.447 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.991 10.645 -11.749 1.00 0.00 H new ATOM 599 N ASP A 38 6.561 7.222 -8.100 1.00 0.00 N ATOM 600 CA ASP A 38 7.863 6.576 -7.768 1.00 0.00 C ATOM 601 C ASP A 38 8.099 6.629 -6.261 1.00 0.00 C ATOM 602 O ASP A 38 7.720 7.572 -5.595 1.00 0.00 O ATOM 603 CB ASP A 38 8.993 7.314 -8.487 1.00 0.00 C ATOM 604 CG ASP A 38 9.477 6.477 -9.672 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.992 5.396 -9.437 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.323 6.930 -10.794 1.00 0.00 O ATOM 0 H ASP A 38 6.002 7.523 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 38 7.841 5.535 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.643 8.286 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.817 7.499 -7.798 1.00 0.00 H new ATOM 611 N GLY A 39 8.734 5.624 -5.717 1.00 0.00 N ATOM 612 CA GLY A 39 9.001 5.624 -4.253 1.00 0.00 C ATOM 613 C GLY A 39 9.587 6.977 -3.859 1.00 0.00 C ATOM 614 O GLY A 39 9.351 7.479 -2.779 1.00 0.00 O ATOM 0 H GLY A 39 9.077 4.807 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.080 5.437 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.694 4.823 -3.996 1.00 0.00 H new ATOM 618 N VAL A 40 10.342 7.580 -4.738 1.00 0.00 N ATOM 619 CA VAL A 40 10.930 8.909 -4.426 1.00 0.00 C ATOM 620 C VAL A 40 9.807 9.941 -4.380 1.00 0.00 C ATOM 621 O VAL A 40 9.817 10.856 -3.579 1.00 0.00 O ATOM 622 CB VAL A 40 11.938 9.291 -5.512 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.745 10.509 -5.056 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.887 8.116 -5.761 1.00 0.00 C ATOM 0 H VAL A 40 10.575 7.207 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 40 11.441 8.875 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 40 11.406 9.532 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.463 10.780 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.070 11.346 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.277 10.269 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.606 8.386 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.418 7.876 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.314 7.248 -6.086 1.00 0.00 H new ATOM 634 N ASP A 41 8.823 9.788 -5.224 1.00 0.00 N ATOM 635 CA ASP A 41 7.685 10.743 -5.224 1.00 0.00 C ATOM 636 C ASP A 41 6.862 10.511 -3.962 1.00 0.00 C ATOM 637 O ASP A 41 6.474 11.436 -3.276 1.00 0.00 O ATOM 638 CB ASP A 41 6.816 10.486 -6.453 1.00 0.00 C ATOM 639 CG ASP A 41 5.942 11.710 -6.730 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.858 12.563 -5.863 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.371 11.774 -7.807 1.00 0.00 O ATOM 0 H ASP A 41 8.761 9.040 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 41 8.051 11.770 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.445 10.273 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.190 9.609 -6.291 1.00 0.00 H new ATOM 646 N ALA A 42 6.602 9.274 -3.652 1.00 0.00 N ATOM 647 CA ALA A 42 5.813 8.957 -2.432 1.00 0.00 C ATOM 648 C ALA A 42 6.583 9.428 -1.197 1.00 0.00 C ATOM 649 O ALA A 42 6.075 10.166 -0.383 1.00 0.00 O ATOM 650 CB ALA A 42 5.593 7.446 -2.343 1.00 0.00 C ATOM 0 H ALA A 42 6.904 8.464 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 42 4.849 9.463 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.015 7.215 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.050 7.105 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.557 6.940 -2.292 1.00 0.00 H new ATOM 656 N LEU A 43 7.808 9.002 -1.056 1.00 0.00 N ATOM 657 CA LEU A 43 8.616 9.418 0.125 1.00 0.00 C ATOM 658 C LEU A 43 8.489 10.929 0.338 1.00 0.00 C ATOM 659 O LEU A 43 8.344 11.398 1.448 1.00 0.00 O ATOM 660 CB LEU A 43 10.085 9.059 -0.115 1.00 0.00 C ATOM 661 CG LEU A 43 10.940 9.587 1.040 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.933 8.507 1.472 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.708 10.827 0.579 1.00 0.00 C ATOM 0 H LEU A 43 8.286 8.382 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 43 8.250 8.900 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.196 7.978 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.425 9.488 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 43 10.296 9.848 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.543 8.881 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.388 7.621 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.577 8.248 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.317 11.204 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.352 10.565 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.002 11.597 0.268 1.00 0.00 H new ATOM 675 N ASN A 44 8.552 11.696 -0.716 1.00 0.00 N ATOM 676 CA ASN A 44 8.445 13.175 -0.565 1.00 0.00 C ATOM 677 C ASN A 44 6.998 13.568 -0.262 1.00 0.00 C ATOM 678 O ASN A 44 6.739 14.519 0.448 1.00 0.00 O ATOM 679 CB ASN A 44 8.897 13.853 -1.860 1.00 0.00 C ATOM 680 CG ASN A 44 10.398 14.140 -1.790 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.853 14.846 -0.912 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.192 13.618 -2.685 1.00 0.00 N ATOM 0 H ASN A 44 8.673 11.364 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 44 9.081 13.496 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.678 13.212 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.345 14.781 -2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.194 13.803 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.810 13.025 -3.422 1.00 0.00 H new ATOM 689 N LYS A 45 6.050 12.849 -0.797 1.00 0.00 N ATOM 690 CA LYS A 45 4.622 13.190 -0.541 1.00 0.00 C ATOM 691 C LYS A 45 4.121 12.449 0.703 1.00 0.00 C ATOM 692 O LYS A 45 3.030 12.689 1.176 1.00 0.00 O ATOM 693 CB LYS A 45 3.775 12.784 -1.750 1.00 0.00 C ATOM 694 CG LYS A 45 2.938 13.979 -2.210 1.00 0.00 C ATOM 695 CD LYS A 45 1.980 13.536 -3.318 1.00 0.00 C ATOM 696 CE LYS A 45 1.953 14.592 -4.424 1.00 0.00 C ATOM 697 NZ LYS A 45 0.921 14.227 -5.435 1.00 0.00 N ATOM 0 H LYS A 45 6.202 12.041 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 45 4.536 14.264 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.419 12.444 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.124 11.950 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.376 14.387 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.589 14.774 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.298 12.576 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.978 13.394 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.732 15.572 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.932 14.663 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.138 14.696 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.919 13.196 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.015 14.534 -5.102 1.00 0.00 H new ATOM 711 N LEU A 46 4.908 11.557 1.237 1.00 0.00 N ATOM 712 CA LEU A 46 4.469 10.807 2.449 1.00 0.00 C ATOM 713 C LEU A 46 4.397 11.775 3.633 1.00 0.00 C ATOM 714 O LEU A 46 3.830 11.472 4.664 1.00 0.00 O ATOM 715 CB LEU A 46 5.482 9.692 2.752 1.00 0.00 C ATOM 716 CG LEU A 46 4.805 8.312 2.706 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.723 8.222 3.783 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.167 8.077 1.332 1.00 0.00 C ATOM 0 H LEU A 46 5.835 11.314 0.888 1.00 0.00 H new ATOM 0 HA LEU A 46 3.488 10.364 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.296 9.727 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.923 9.853 3.736 1.00 0.00 H new ATOM 0 HG LEU A 46 5.564 7.551 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.250 7.241 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.174 8.367 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.973 8.994 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.692 7.096 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.419 8.846 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.936 8.121 0.561 1.00 0.00 H new ATOM 730 N GLN A 47 4.961 12.942 3.488 1.00 0.00 N ATOM 731 CA GLN A 47 4.919 13.933 4.601 1.00 0.00 C ATOM 732 C GLN A 47 3.617 14.732 4.517 1.00 0.00 C ATOM 733 O GLN A 47 3.338 15.570 5.350 1.00 0.00 O ATOM 734 CB GLN A 47 6.111 14.886 4.480 1.00 0.00 C ATOM 735 CG GLN A 47 7.405 14.127 4.779 1.00 0.00 C ATOM 736 CD GLN A 47 8.597 15.075 4.635 1.00 0.00 C ATOM 737 OE1 GLN A 47 9.192 15.476 5.616 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.974 15.453 3.444 1.00 0.00 N ATOM 0 H GLN A 47 5.449 13.253 2.648 1.00 0.00 H new ATOM 0 HA GLN A 47 4.967 13.412 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.150 15.311 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.997 15.718 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.373 13.716 5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.512 13.285 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.475 15.117 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.768 16.085 3.337 1.00 0.00 H new ATOM 747 N ALA A 48 2.822 14.479 3.511 1.00 0.00 N ATOM 748 CA ALA A 48 1.539 15.220 3.364 1.00 0.00 C ATOM 749 C ALA A 48 0.820 15.280 4.713 1.00 0.00 C ATOM 750 O ALA A 48 0.809 16.299 5.376 1.00 0.00 O ATOM 751 CB ALA A 48 0.651 14.503 2.345 1.00 0.00 C ATOM 0 H ALA A 48 3.008 13.789 2.784 1.00 0.00 H new ATOM 0 HA ALA A 48 1.745 16.234 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.289 15.045 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.161 14.464 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.448 13.489 2.689 1.00 0.00 H new ATOM 757 N GLY A 49 0.218 14.197 5.125 1.00 0.00 N ATOM 758 CA GLY A 49 -0.500 14.195 6.432 1.00 0.00 C ATOM 759 C GLY A 49 -0.387 12.812 7.075 1.00 0.00 C ATOM 760 O GLY A 49 -1.043 12.518 8.054 1.00 0.00 O ATOM 0 H GLY A 49 0.192 13.315 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.076 14.951 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.548 14.454 6.283 1.00 0.00 H new ATOM 764 N GLY A 50 0.438 11.960 6.531 1.00 0.00 N ATOM 765 CA GLY A 50 0.589 10.596 7.111 1.00 0.00 C ATOM 766 C GLY A 50 -0.454 9.667 6.493 1.00 0.00 C ATOM 767 O GLY A 50 -1.512 9.445 7.047 1.00 0.00 O ATOM 0 H GLY A 50 1.014 12.149 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.592 10.215 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.465 10.633 8.193 1.00 0.00 H new ATOM 771 N TYR A 51 -0.165 9.125 5.344 1.00 0.00 N ATOM 772 CA TYR A 51 -1.135 8.215 4.682 1.00 0.00 C ATOM 773 C TYR A 51 -1.366 6.988 5.555 1.00 0.00 C ATOM 774 O TYR A 51 -0.580 6.062 5.560 1.00 0.00 O ATOM 775 CB TYR A 51 -0.575 7.785 3.331 1.00 0.00 C ATOM 776 CG TYR A 51 -0.737 8.921 2.361 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.956 9.111 1.702 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.326 9.798 2.140 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.109 10.183 0.818 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.176 10.866 1.254 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.039 11.062 0.593 1.00 0.00 C ATOM 782 OH TYR A 51 -1.183 12.123 -0.273 1.00 0.00 O ATOM 0 H TYR A 51 0.706 9.275 4.834 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.083 8.733 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.477 7.516 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.099 6.901 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.777 8.431 1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.264 9.650 2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.049 10.334 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.000 11.542 1.079 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.346 12.631 -0.310 1.00 0.00 H new ATOM 792 N GLY A 52 -2.443 6.969 6.287 1.00 0.00 N ATOM 793 CA GLY A 52 -2.727 5.797 7.154 1.00 0.00 C ATOM 794 C GLY A 52 -2.569 4.520 6.334 1.00 0.00 C ATOM 795 O GLY A 52 -2.513 3.431 6.866 1.00 0.00 O ATOM 0 H GLY A 52 -3.138 7.715 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.046 5.784 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.738 5.863 7.556 1.00 0.00 H new ATOM 799 N PHE A 53 -2.516 4.648 5.037 1.00 0.00 N ATOM 800 CA PHE A 53 -2.381 3.441 4.180 1.00 0.00 C ATOM 801 C PHE A 53 -1.602 3.789 2.910 1.00 0.00 C ATOM 802 O PHE A 53 -2.027 4.615 2.124 1.00 0.00 O ATOM 803 CB PHE A 53 -3.780 2.990 3.797 1.00 0.00 C ATOM 804 CG PHE A 53 -3.945 1.506 3.989 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.169 0.976 5.264 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.932 0.665 2.881 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.371 -0.395 5.420 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.144 -0.698 3.032 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.362 -1.237 4.303 1.00 0.00 C ATOM 0 H PHE A 53 -2.560 5.535 4.536 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.849 2.655 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.515 3.522 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.976 3.249 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.185 1.627 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.756 1.075 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.535 -0.807 6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.141 -1.343 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.523 -2.298 4.422 1.00 0.00 H new ATOM 819 N VAL A 54 -0.477 3.161 2.691 1.00 0.00 N ATOM 820 CA VAL A 54 0.310 3.459 1.456 1.00 0.00 C ATOM 821 C VAL A 54 0.387 2.205 0.584 1.00 0.00 C ATOM 822 O VAL A 54 0.820 1.153 1.018 1.00 0.00 O ATOM 823 CB VAL A 54 1.716 3.932 1.832 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.593 3.974 0.577 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.637 5.339 2.436 1.00 0.00 C ATOM 0 H VAL A 54 -0.070 2.459 3.309 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.184 4.252 0.895 1.00 0.00 H new ATOM 0 HB VAL A 54 2.147 3.243 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.595 4.311 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.650 2.977 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.159 4.664 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.638 5.677 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.206 6.025 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.010 5.318 3.328 1.00 0.00 H new ATOM 835 N ILE A 55 -0.043 2.319 -0.647 1.00 0.00 N ATOM 836 CA ILE A 55 -0.017 1.153 -1.578 1.00 0.00 C ATOM 837 C ILE A 55 1.088 1.359 -2.616 1.00 0.00 C ATOM 838 O ILE A 55 1.138 2.368 -3.291 1.00 0.00 O ATOM 839 CB ILE A 55 -1.365 1.043 -2.295 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.470 1.618 -1.406 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.667 -0.428 -2.592 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.832 1.348 -2.050 1.00 0.00 C ATOM 0 H ILE A 55 -0.414 3.179 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 55 0.173 0.241 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.323 1.604 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.428 1.165 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.324 2.690 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.627 -0.506 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.883 -0.839 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.706 -0.987 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.621 1.757 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.871 1.821 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.976 0.273 -2.160 1.00 0.00 H new ATOM 854 N SER A 56 1.969 0.406 -2.750 1.00 0.00 N ATOM 855 CA SER A 56 3.069 0.536 -3.745 1.00 0.00 C ATOM 856 C SER A 56 3.348 -0.834 -4.359 1.00 0.00 C ATOM 857 O SER A 56 3.246 -1.848 -3.702 1.00 0.00 O ATOM 858 CB SER A 56 4.329 1.050 -3.047 1.00 0.00 C ATOM 859 OG SER A 56 4.934 -0.017 -2.328 1.00 0.00 O ATOM 0 H SER A 56 1.974 -0.460 -2.211 1.00 0.00 H new ATOM 0 HA SER A 56 2.779 1.238 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.027 1.452 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.076 1.865 -2.368 1.00 0.00 H new ATOM 0 HG SER A 56 5.743 0.308 -1.880 1.00 0.00 H new ATOM 865 N ASP A 57 3.696 -0.882 -5.611 1.00 0.00 N ATOM 866 CA ASP A 57 3.973 -2.202 -6.237 1.00 0.00 C ATOM 867 C ASP A 57 5.089 -2.903 -5.455 1.00 0.00 C ATOM 868 O ASP A 57 4.853 -3.498 -4.422 1.00 0.00 O ATOM 869 CB ASP A 57 4.408 -2.004 -7.689 1.00 0.00 C ATOM 870 CG ASP A 57 3.176 -1.776 -8.567 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.488 -0.795 -8.343 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.943 -2.587 -9.448 1.00 0.00 O ATOM 0 H ASP A 57 3.800 -0.073 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 57 3.071 -2.813 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.083 -1.152 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.958 -2.878 -8.037 1.00 0.00 H new ATOM 877 N TRP A 58 6.305 -2.833 -5.933 1.00 0.00 N ATOM 878 CA TRP A 58 7.433 -3.493 -5.209 1.00 0.00 C ATOM 879 C TRP A 58 8.763 -3.111 -5.866 1.00 0.00 C ATOM 880 O TRP A 58 9.635 -2.557 -5.230 1.00 0.00 O ATOM 881 CB TRP A 58 7.253 -5.014 -5.260 1.00 0.00 C ATOM 882 CG TRP A 58 8.396 -5.688 -4.568 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.507 -6.156 -5.182 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.557 -5.988 -3.150 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.340 -6.721 -4.232 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.799 -6.642 -2.964 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.756 -5.757 -2.017 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.229 -7.053 -1.701 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.187 -6.170 -0.744 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.421 -6.817 -0.587 1.00 0.00 C ATOM 0 H TRP A 58 6.565 -2.348 -6.792 1.00 0.00 H new ATOM 0 HA TRP A 58 7.438 -3.162 -4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.313 -5.293 -4.784 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.197 -5.347 -6.296 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.711 -6.098 -6.241 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.244 -7.144 -4.443 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.804 -5.259 -2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.181 -7.550 -1.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.563 -5.988 0.119 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.746 -7.132 0.394 1.00 0.00 H new ATOM 901 N ASN A 59 8.926 -3.406 -7.133 1.00 0.00 N ATOM 902 CA ASN A 59 10.204 -3.061 -7.830 1.00 0.00 C ATOM 903 C ASN A 59 9.898 -2.436 -9.191 1.00 0.00 C ATOM 904 O ASN A 59 10.789 -2.052 -9.922 1.00 0.00 O ATOM 905 CB ASN A 59 11.035 -4.330 -8.036 1.00 0.00 C ATOM 906 CG ASN A 59 10.174 -5.400 -8.709 1.00 0.00 C ATOM 907 OD1 ASN A 59 8.989 -5.081 -9.155 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 10.583 -6.537 -8.830 1.00 0.00 N flip ATOM 0 H ASN A 59 8.229 -3.871 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 59 10.762 -2.351 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.908 -4.110 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.404 -4.695 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.509 -6.786 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.001 -7.243 -9.280 1.00 0.00 H new ATOM 915 N MET A 60 8.646 -2.327 -9.540 1.00 0.00 N ATOM 916 CA MET A 60 8.294 -1.725 -10.854 1.00 0.00 C ATOM 917 C MET A 60 8.812 -0.277 -10.945 1.00 0.00 C ATOM 918 O MET A 60 9.400 0.087 -11.943 1.00 0.00 O ATOM 919 CB MET A 60 6.775 -1.748 -11.047 1.00 0.00 C ATOM 920 CG MET A 60 6.430 -2.569 -12.292 1.00 0.00 C ATOM 921 SD MET A 60 4.652 -2.465 -12.609 1.00 0.00 S ATOM 922 CE MET A 60 4.699 -1.011 -13.685 1.00 0.00 C ATOM 0 H MET A 60 7.854 -2.628 -8.973 1.00 0.00 H new ATOM 0 HA MET A 60 8.767 -2.312 -11.642 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.293 -2.179 -10.169 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.396 -0.732 -11.152 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.986 -2.196 -13.152 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.724 -3.609 -12.148 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.687 -0.763 -14.006 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.123 -0.168 -13.139 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.315 -1.225 -14.559 1.00 0.00 H new ATOM 932 N PRO A 61 8.579 0.526 -9.921 1.00 0.00 N ATOM 933 CA PRO A 61 9.029 1.931 -9.936 1.00 0.00 C ATOM 934 C PRO A 61 10.559 2.007 -9.927 1.00 0.00 C ATOM 935 O PRO A 61 11.168 2.448 -10.882 1.00 0.00 O ATOM 936 CB PRO A 61 8.454 2.546 -8.653 1.00 0.00 C ATOM 937 CG PRO A 61 7.668 1.437 -7.911 1.00 0.00 C ATOM 938 CD PRO A 61 7.865 0.126 -8.688 1.00 0.00 C ATOM 0 HA PRO A 61 8.694 2.457 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.254 2.934 -8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.800 3.385 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.028 1.333 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.610 1.692 -7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.445 -0.594 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.910 -0.346 -8.918 1.00 0.00 H new ATOM 946 N ASN A 62 11.179 1.585 -8.853 1.00 0.00 N ATOM 947 CA ASN A 62 12.671 1.635 -8.768 1.00 0.00 C ATOM 948 C ASN A 62 13.206 0.275 -8.315 1.00 0.00 C ATOM 949 O ASN A 62 12.600 -0.752 -8.549 1.00 0.00 O ATOM 950 CB ASN A 62 13.087 2.705 -7.757 1.00 0.00 C ATOM 951 CG ASN A 62 12.194 3.936 -7.918 1.00 0.00 C ATOM 952 OD1 ASN A 62 11.199 4.117 -7.093 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 12.403 4.742 -8.802 1.00 0.00 N flip ATOM 0 H ASN A 62 10.714 1.206 -8.028 1.00 0.00 H new ATOM 0 HA ASN A 62 13.081 1.878 -9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.005 2.313 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.131 2.978 -7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.180 4.601 -9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.801 5.560 -8.899 1.00 0.00 H new ATOM 960 N MET A 63 14.342 0.261 -7.672 1.00 0.00 N ATOM 961 CA MET A 63 14.923 -1.031 -7.206 1.00 0.00 C ATOM 962 C MET A 63 13.873 -1.813 -6.415 1.00 0.00 C ATOM 963 O MET A 63 13.199 -2.672 -6.947 1.00 0.00 O ATOM 964 CB MET A 63 16.133 -0.751 -6.311 1.00 0.00 C ATOM 965 CG MET A 63 17.315 -0.305 -7.174 1.00 0.00 C ATOM 966 SD MET A 63 18.259 0.964 -6.295 1.00 0.00 S ATOM 967 CE MET A 63 18.216 2.221 -7.598 1.00 0.00 C ATOM 0 H MET A 63 14.894 1.089 -7.449 1.00 0.00 H new ATOM 0 HA MET A 63 15.235 -1.619 -8.069 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.889 0.022 -5.583 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.397 -1.646 -5.748 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.955 -1.157 -7.401 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.957 0.087 -8.126 1.00 0.00 H new ATOM 0 HE1 MET A 63 18.751 3.110 -7.264 1.00 0.00 H new ATOM 0 HE2 MET A 63 18.691 1.829 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 63 17.181 2.482 -7.818 1.00 0.00 H new ATOM 977 N ASP A 64 13.733 -1.525 -5.148 1.00 0.00 N ATOM 978 CA ASP A 64 12.729 -2.254 -4.321 1.00 0.00 C ATOM 979 C ASP A 64 12.091 -1.284 -3.326 1.00 0.00 C ATOM 980 O ASP A 64 12.759 -0.460 -2.734 1.00 0.00 O ATOM 981 CB ASP A 64 13.424 -3.384 -3.555 1.00 0.00 C ATOM 982 CG ASP A 64 14.578 -2.807 -2.733 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.310 -2.017 -1.843 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.712 -3.166 -3.008 1.00 0.00 O ATOM 0 H ASP A 64 14.271 -0.816 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 64 11.958 -2.673 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.712 -3.886 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.799 -4.134 -4.252 1.00 0.00 H new ATOM 989 N GLY A 65 10.802 -1.372 -3.133 1.00 0.00 N ATOM 990 CA GLY A 65 10.136 -0.449 -2.173 1.00 0.00 C ATOM 991 C GLY A 65 10.609 -0.771 -0.755 1.00 0.00 C ATOM 992 O GLY A 65 10.247 -0.110 0.197 1.00 0.00 O ATOM 0 H GLY A 65 10.186 -2.040 -3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.372 0.586 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.053 -0.554 -2.241 1.00 0.00 H new ATOM 996 N LEU A 66 11.425 -1.777 -0.599 1.00 0.00 N ATOM 997 CA LEU A 66 11.916 -2.114 0.765 1.00 0.00 C ATOM 998 C LEU A 66 12.476 -0.842 1.397 1.00 0.00 C ATOM 999 O LEU A 66 12.189 -0.518 2.533 1.00 0.00 O ATOM 1000 CB LEU A 66 13.021 -3.173 0.674 1.00 0.00 C ATOM 1001 CG LEU A 66 12.742 -4.313 1.660 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.557 -3.751 3.072 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.475 -5.060 1.239 1.00 0.00 C ATOM 0 H LEU A 66 11.770 -2.375 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 66 11.101 -2.511 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.076 -3.566 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.988 -2.720 0.894 1.00 0.00 H new ATOM 0 HG LEU A 66 13.588 -5.000 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.359 -4.568 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.463 -3.227 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.717 -3.057 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.280 -5.870 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.631 -4.371 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.611 -5.472 0.239 1.00 0.00 H new ATOM 1015 N GLU A 67 13.262 -0.108 0.658 1.00 0.00 N ATOM 1016 CA GLU A 67 13.830 1.158 1.197 1.00 0.00 C ATOM 1017 C GLU A 67 12.706 2.188 1.299 1.00 0.00 C ATOM 1018 O GLU A 67 12.624 2.947 2.245 1.00 0.00 O ATOM 1019 CB GLU A 67 14.916 1.674 0.248 1.00 0.00 C ATOM 1020 CG GLU A 67 15.663 2.835 0.907 1.00 0.00 C ATOM 1021 CD GLU A 67 17.099 2.409 1.219 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.275 1.600 2.115 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.998 2.899 0.556 1.00 0.00 O ATOM 0 H GLU A 67 13.536 -0.332 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 67 14.269 0.986 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.612 0.871 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.468 2.002 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.665 3.701 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.154 3.135 1.823 1.00 0.00 H new ATOM 1030 N LEU A 68 11.831 2.207 0.330 1.00 0.00 N ATOM 1031 CA LEU A 68 10.695 3.170 0.359 1.00 0.00 C ATOM 1032 C LEU A 68 9.952 3.013 1.687 1.00 0.00 C ATOM 1033 O LEU A 68 9.364 3.943 2.198 1.00 0.00 O ATOM 1034 CB LEU A 68 9.752 2.856 -0.810 1.00 0.00 C ATOM 1035 CG LEU A 68 8.550 3.805 -0.804 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.028 5.246 -0.988 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.613 3.424 -1.953 1.00 0.00 C ATOM 0 H LEU A 68 11.855 1.593 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 68 11.057 4.194 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.290 2.949 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.408 1.824 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 68 8.023 3.725 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.169 5.918 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.702 5.513 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.554 5.336 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.753 4.094 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.145 3.510 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.273 2.397 -1.820 1.00 0.00 H new ATOM 1049 N LEU A 69 9.980 1.834 2.243 1.00 0.00 N ATOM 1050 CA LEU A 69 9.286 1.581 3.538 1.00 0.00 C ATOM 1051 C LEU A 69 10.233 1.906 4.691 1.00 0.00 C ATOM 1052 O LEU A 69 9.989 2.799 5.475 1.00 0.00 O ATOM 1053 CB LEU A 69 8.923 0.102 3.611 1.00 0.00 C ATOM 1054 CG LEU A 69 7.401 -0.106 3.541 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.099 -1.540 3.116 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.770 0.119 4.915 1.00 0.00 C ATOM 0 H LEU A 69 10.460 1.024 1.850 1.00 0.00 H new ATOM 0 HA LEU A 69 8.392 2.201 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.403 -0.433 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.308 -0.323 4.538 1.00 0.00 H new ATOM 0 HG LEU A 69 6.992 0.604 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.020 -1.685 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.535 -1.728 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.526 -2.232 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.692 -0.032 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.193 -0.587 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.974 1.137 5.247 1.00 0.00 H new ATOM 1068 N LYS A 70 11.306 1.162 4.792 1.00 0.00 N ATOM 1069 CA LYS A 70 12.305 1.380 5.887 1.00 0.00 C ATOM 1070 C LYS A 70 12.419 2.872 6.216 1.00 0.00 C ATOM 1071 O LYS A 70 12.292 3.275 7.355 1.00 0.00 O ATOM 1072 CB LYS A 70 13.671 0.857 5.439 1.00 0.00 C ATOM 1073 CG LYS A 70 14.530 0.550 6.668 1.00 0.00 C ATOM 1074 CD LYS A 70 16.011 0.679 6.306 1.00 0.00 C ATOM 1075 CE LYS A 70 16.478 2.113 6.567 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.540 2.355 8.036 1.00 0.00 N ATOM 0 H LYS A 70 11.537 0.401 4.153 1.00 0.00 H new ATOM 0 HA LYS A 70 11.974 0.845 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.548 -0.042 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.167 1.597 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.282 1.236 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.320 -0.457 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.603 -0.020 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.164 0.421 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.459 2.275 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.793 2.821 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.259 3.078 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.613 2.684 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.791 1.471 8.523 1.00 0.00 H new ATOM 1090 N THR A 71 12.647 3.695 5.229 1.00 0.00 N ATOM 1091 CA THR A 71 12.754 5.157 5.498 1.00 0.00 C ATOM 1092 C THR A 71 11.563 5.588 6.354 1.00 0.00 C ATOM 1093 O THR A 71 11.706 6.303 7.326 1.00 0.00 O ATOM 1094 CB THR A 71 12.742 5.925 4.174 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.032 5.172 3.199 1.00 0.00 O ATOM 1096 CG2 THR A 71 14.177 6.152 3.700 1.00 0.00 C ATOM 0 H THR A 71 12.763 3.420 4.254 1.00 0.00 H new ATOM 0 HA THR A 71 13.684 5.371 6.024 1.00 0.00 H new ATOM 0 HB THR A 71 12.253 6.889 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.665 4.644 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.167 6.699 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.720 6.729 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.669 5.190 3.556 1.00 0.00 H new ATOM 1104 N ILE A 72 10.387 5.149 6.000 1.00 0.00 N ATOM 1105 CA ILE A 72 9.177 5.516 6.788 1.00 0.00 C ATOM 1106 C ILE A 72 9.356 5.025 8.226 1.00 0.00 C ATOM 1107 O ILE A 72 8.850 5.611 9.162 1.00 0.00 O ATOM 1108 CB ILE A 72 7.943 4.844 6.172 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.869 5.175 4.672 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.683 5.358 6.870 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.809 4.303 3.979 1.00 0.00 C ATOM 0 H ILE A 72 10.211 4.549 5.194 1.00 0.00 H new ATOM 0 HA ILE A 72 9.043 6.598 6.778 1.00 0.00 H new ATOM 0 HB ILE A 72 8.017 3.764 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.625 6.229 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.842 5.011 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.805 4.882 6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.734 5.121 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.611 6.438 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.771 4.551 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.070 3.251 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.834 4.488 4.430 1.00 0.00 H new ATOM 1123 N ARG A 73 10.076 3.950 8.403 1.00 0.00 N ATOM 1124 CA ARG A 73 10.295 3.412 9.777 1.00 0.00 C ATOM 1125 C ARG A 73 11.455 4.157 10.441 1.00 0.00 C ATOM 1126 O ARG A 73 11.563 4.204 11.649 1.00 0.00 O ATOM 1127 CB ARG A 73 10.631 1.921 9.689 1.00 0.00 C ATOM 1128 CG ARG A 73 10.517 1.286 11.077 1.00 0.00 C ATOM 1129 CD ARG A 73 11.595 0.213 11.240 1.00 0.00 C ATOM 1130 NE ARG A 73 12.943 0.834 11.101 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.784 0.798 12.099 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.847 -0.259 12.861 1.00 0.00 N ATOM 1133 NH2 ARG A 73 14.563 1.818 12.334 1.00 0.00 N ATOM 0 H ARG A 73 10.523 3.420 7.654 1.00 0.00 H new ATOM 0 HA ARG A 73 9.391 3.550 10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.953 1.425 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.640 1.788 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.629 2.049 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.528 0.845 11.206 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.502 -0.265 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.463 -0.566 10.489 1.00 0.00 H new ATOM 0 HE ARG A 73 13.208 1.287 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.239 -1.057 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.504 -0.287 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.515 2.644 11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.220 1.789 13.114 1.00 0.00 H new ATOM 1147 N ALA A 74 12.325 4.739 9.659 1.00 0.00 N ATOM 1148 CA ALA A 74 13.478 5.479 10.246 1.00 0.00 C ATOM 1149 C ALA A 74 12.984 6.384 11.376 1.00 0.00 C ATOM 1150 O ALA A 74 13.707 6.684 12.305 1.00 0.00 O ATOM 1151 CB ALA A 74 14.138 6.334 9.163 1.00 0.00 C ATOM 0 H ALA A 74 12.286 4.734 8.640 1.00 0.00 H new ATOM 0 HA ALA A 74 14.202 4.767 10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.981 6.876 9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.491 5.691 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.412 7.045 8.768 1.00 0.00 H new ATOM 1157 N ASP A 75 11.757 6.820 11.306 1.00 0.00 N ATOM 1158 CA ASP A 75 11.219 7.703 12.378 1.00 0.00 C ATOM 1159 C ASP A 75 11.244 6.955 13.713 1.00 0.00 C ATOM 1160 O ASP A 75 12.075 6.099 13.939 1.00 0.00 O ATOM 1161 CB ASP A 75 9.779 8.097 12.040 1.00 0.00 C ATOM 1162 CG ASP A 75 9.386 9.334 12.849 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.184 10.254 12.913 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.293 9.340 13.392 1.00 0.00 O ATOM 0 H ASP A 75 11.104 6.603 10.553 1.00 0.00 H new ATOM 0 HA ASP A 75 11.833 8.601 12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.688 8.303 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.103 7.272 12.265 1.00 0.00 H new ATOM 1169 N GLY A 76 10.342 7.273 14.601 1.00 0.00 N ATOM 1170 CA GLY A 76 10.319 6.579 15.920 1.00 0.00 C ATOM 1171 C GLY A 76 8.953 6.774 16.580 1.00 0.00 C ATOM 1172 O GLY A 76 8.843 6.872 17.787 1.00 0.00 O ATOM 0 H GLY A 76 9.621 7.982 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.521 5.516 15.786 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.105 6.974 16.564 1.00 0.00 H new ATOM 1176 N ALA A 77 7.909 6.832 15.800 1.00 0.00 N ATOM 1177 CA ALA A 77 6.551 7.020 16.383 1.00 0.00 C ATOM 1178 C ALA A 77 5.494 6.637 15.344 1.00 0.00 C ATOM 1179 O ALA A 77 4.311 6.822 15.551 1.00 0.00 O ATOM 1180 CB ALA A 77 6.366 8.485 16.783 1.00 0.00 C ATOM 0 H ALA A 77 7.938 6.757 14.783 1.00 0.00 H new ATOM 0 HA ALA A 77 6.442 6.387 17.264 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.372 8.623 17.210 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.119 8.758 17.522 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.474 9.119 15.903 1.00 0.00 H new ATOM 1186 N MET A 78 5.913 6.105 14.230 1.00 0.00 N ATOM 1187 CA MET A 78 4.935 5.710 13.177 1.00 0.00 C ATOM 1188 C MET A 78 5.490 4.522 12.390 1.00 0.00 C ATOM 1189 O MET A 78 5.571 4.549 11.177 1.00 0.00 O ATOM 1190 CB MET A 78 4.704 6.890 12.230 1.00 0.00 C ATOM 1191 CG MET A 78 6.031 7.606 11.973 1.00 0.00 C ATOM 1192 SD MET A 78 5.801 8.860 10.690 1.00 0.00 S ATOM 1193 CE MET A 78 6.159 7.799 9.269 1.00 0.00 C ATOM 0 H MET A 78 6.891 5.926 14.003 1.00 0.00 H new ATOM 0 HA MET A 78 3.990 5.428 13.642 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.281 6.538 11.289 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.983 7.583 12.664 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.389 8.071 12.891 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.790 6.888 11.663 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.838 8.296 8.354 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.231 7.606 9.220 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.625 6.855 9.376 1.00 0.00 H new ATOM 1203 N SER A 79 5.879 3.478 13.069 1.00 0.00 N ATOM 1204 CA SER A 79 6.431 2.289 12.361 1.00 0.00 C ATOM 1205 C SER A 79 5.307 1.290 12.080 1.00 0.00 C ATOM 1206 O SER A 79 5.507 0.288 11.422 1.00 0.00 O ATOM 1207 CB SER A 79 7.494 1.625 13.237 1.00 0.00 C ATOM 1208 OG SER A 79 7.777 0.327 12.730 1.00 0.00 O ATOM 0 H SER A 79 5.838 3.397 14.085 1.00 0.00 H new ATOM 0 HA SER A 79 6.878 2.604 11.418 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.401 2.229 13.249 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.143 1.557 14.267 1.00 0.00 H new ATOM 0 HG SER A 79 7.228 0.159 11.936 1.00 0.00 H new ATOM 1214 N ALA A 80 4.128 1.554 12.574 1.00 0.00 N ATOM 1215 CA ALA A 80 2.990 0.617 12.338 1.00 0.00 C ATOM 1216 C ALA A 80 2.166 1.096 11.140 1.00 0.00 C ATOM 1217 O ALA A 80 1.157 0.513 10.799 1.00 0.00 O ATOM 1218 CB ALA A 80 2.100 0.573 13.582 1.00 0.00 C ATOM 0 H ALA A 80 3.902 2.378 13.131 1.00 0.00 H new ATOM 0 HA ALA A 80 3.381 -0.379 12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.269 -0.111 13.411 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.684 0.228 14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.712 1.571 13.788 1.00 0.00 H new ATOM 1224 N LEU A 81 2.585 2.153 10.499 1.00 0.00 N ATOM 1225 CA LEU A 81 1.817 2.661 9.327 1.00 0.00 C ATOM 1226 C LEU A 81 1.527 1.480 8.367 1.00 0.00 C ATOM 1227 O LEU A 81 2.453 0.958 7.778 1.00 0.00 O ATOM 1228 CB LEU A 81 2.658 3.714 8.594 1.00 0.00 C ATOM 1229 CG LEU A 81 2.028 5.108 8.750 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.646 5.143 8.094 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.879 5.449 10.235 1.00 0.00 C ATOM 0 H LEU A 81 3.423 2.685 10.735 1.00 0.00 H new ATOM 0 HA LEU A 81 0.880 3.107 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.673 3.720 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.732 3.458 7.537 1.00 0.00 H new ATOM 0 HG LEU A 81 2.679 5.836 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.212 6.136 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.741 4.913 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.001 4.405 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.432 6.438 10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.239 4.709 10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.860 5.443 10.710 1.00 0.00 H new ATOM 1243 N PRO A 82 0.274 1.059 8.232 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.056 -0.079 7.348 1.00 0.00 C ATOM 1245 C PRO A 82 0.289 0.196 5.882 1.00 0.00 C ATOM 1246 O PRO A 82 0.122 1.289 5.368 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.570 -0.273 7.485 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.093 0.783 8.483 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.901 1.646 8.921 1.00 0.00 C ATOM 0 HA PRO A 82 0.520 -0.958 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.059 -0.159 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.796 -1.279 7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.861 1.401 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.552 0.299 9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.044 2.689 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.775 1.624 10.003 1.00 0.00 H new ATOM 1257 N VAL A 83 0.727 -0.824 5.201 1.00 0.00 N ATOM 1258 CA VAL A 83 1.050 -0.702 3.757 1.00 0.00 C ATOM 1259 C VAL A 83 0.574 -1.961 3.074 1.00 0.00 C ATOM 1260 O VAL A 83 0.777 -3.051 3.573 1.00 0.00 O ATOM 1261 CB VAL A 83 2.564 -0.603 3.531 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.912 -1.157 2.132 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.012 0.856 3.595 1.00 0.00 C ATOM 0 H VAL A 83 0.877 -1.754 5.593 1.00 0.00 H new ATOM 0 HA VAL A 83 0.572 0.195 3.364 1.00 0.00 H new ATOM 0 HB VAL A 83 3.071 -1.178 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.988 -1.087 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.602 -2.200 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.392 -0.575 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.088 0.914 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.498 1.429 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.770 1.268 4.575 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.021 -1.827 1.929 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.471 -3.033 1.197 1.00 0.00 C ATOM 1275 C LEU A 84 0.322 -3.131 -0.099 1.00 0.00 C ATOM 1276 O LEU A 84 -0.165 -2.841 -1.173 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.972 -2.939 0.925 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.464 -4.194 0.195 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.188 -5.436 1.045 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.971 -4.074 -0.043 1.00 0.00 C ATOM 0 H LEU A 84 -0.215 -0.937 1.469 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.297 -3.931 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.511 -2.823 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.184 -2.055 0.324 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.939 -4.287 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.541 -6.323 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.116 -5.523 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.710 -5.348 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.329 -4.963 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.484 -3.981 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.174 -3.192 -0.651 1.00 0.00 H new ATOM 1292 N MET A 85 1.560 -3.532 0.008 1.00 0.00 N ATOM 1293 CA MET A 85 2.413 -3.651 -1.198 1.00 0.00 C ATOM 1294 C MET A 85 1.846 -4.755 -2.098 1.00 0.00 C ATOM 1295 O MET A 85 1.687 -5.882 -1.668 1.00 0.00 O ATOM 1296 CB MET A 85 3.837 -4.017 -0.780 1.00 0.00 C ATOM 1297 CG MET A 85 4.705 -2.758 -0.771 1.00 0.00 C ATOM 1298 SD MET A 85 6.284 -3.121 0.037 1.00 0.00 S ATOM 1299 CE MET A 85 7.184 -1.670 -0.560 1.00 0.00 C ATOM 0 H MET A 85 2.015 -3.782 0.886 1.00 0.00 H new ATOM 0 HA MET A 85 2.428 -2.704 -1.737 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.831 -4.474 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.252 -4.753 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.877 -2.414 -1.791 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.192 -1.953 -0.245 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.180 -1.653 -0.118 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.269 -1.716 -1.646 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.646 -0.766 -0.276 1.00 0.00 H new ATOM 1309 N VAL A 86 1.521 -4.444 -3.331 1.00 0.00 N ATOM 1310 CA VAL A 86 0.943 -5.475 -4.237 1.00 0.00 C ATOM 1311 C VAL A 86 1.945 -5.866 -5.322 1.00 0.00 C ATOM 1312 O VAL A 86 2.660 -5.044 -5.851 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.329 -4.911 -4.871 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.038 -4.000 -3.868 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.009 -4.107 -6.126 1.00 0.00 C ATOM 0 H VAL A 86 1.633 -3.518 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 86 0.707 -6.371 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.979 -5.742 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.945 -3.598 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.299 -4.572 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.376 -3.180 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.908 -3.713 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.669 -3.281 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.508 -4.753 -6.849 1.00 0.00 H new ATOM 1325 N THR A 87 2.001 -7.127 -5.658 1.00 0.00 N ATOM 1326 CA THR A 87 2.960 -7.565 -6.714 1.00 0.00 C ATOM 1327 C THR A 87 2.399 -8.783 -7.451 1.00 0.00 C ATOM 1328 O THR A 87 1.522 -9.465 -6.962 1.00 0.00 O ATOM 1329 CB THR A 87 4.301 -7.927 -6.070 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.140 -8.538 -7.040 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.069 -8.896 -4.911 1.00 0.00 C ATOM 0 H THR A 87 1.430 -7.867 -5.251 1.00 0.00 H new ATOM 0 HA THR A 87 3.107 -6.752 -7.425 1.00 0.00 H new ATOM 0 HB THR A 87 4.779 -7.023 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.000 -8.769 -6.630 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.025 -9.152 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.426 -8.426 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.591 -9.802 -5.284 1.00 0.00 H new ATOM 1339 N ALA A 88 2.910 -9.057 -8.624 1.00 0.00 N ATOM 1340 CA ALA A 88 2.424 -10.230 -9.409 1.00 0.00 C ATOM 1341 C ALA A 88 3.469 -11.349 -9.348 1.00 0.00 C ATOM 1342 O ALA A 88 3.549 -12.187 -10.224 1.00 0.00 O ATOM 1343 CB ALA A 88 2.206 -9.807 -10.866 1.00 0.00 C ATOM 0 H ALA A 88 3.648 -8.515 -9.074 1.00 0.00 H new ATOM 0 HA ALA A 88 1.484 -10.590 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.851 -10.661 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.465 -9.008 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.147 -9.451 -11.286 1.00 0.00 H new ATOM 1349 N GLU A 89 4.273 -11.365 -8.317 1.00 0.00 N ATOM 1350 CA GLU A 89 5.315 -12.426 -8.197 1.00 0.00 C ATOM 1351 C GLU A 89 5.463 -12.841 -6.732 1.00 0.00 C ATOM 1352 O GLU A 89 5.183 -13.966 -6.366 1.00 0.00 O ATOM 1353 CB GLU A 89 6.652 -11.887 -8.710 1.00 0.00 C ATOM 1354 CG GLU A 89 7.635 -13.045 -8.891 1.00 0.00 C ATOM 1355 CD GLU A 89 9.016 -12.493 -9.249 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.070 -11.460 -9.895 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.996 -13.114 -8.872 1.00 0.00 O ATOM 0 H GLU A 89 4.253 -10.689 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 89 5.018 -13.292 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.507 -11.368 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.057 -11.159 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.693 -13.633 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.284 -13.714 -9.677 1.00 0.00 H new ATOM 1364 N ALA A 90 5.907 -11.947 -5.891 1.00 0.00 N ATOM 1365 CA ALA A 90 6.077 -12.300 -4.453 1.00 0.00 C ATOM 1366 C ALA A 90 6.843 -13.621 -4.347 1.00 0.00 C ATOM 1367 O ALA A 90 6.266 -14.690 -4.386 1.00 0.00 O ATOM 1368 CB ALA A 90 4.703 -12.444 -3.794 1.00 0.00 C ATOM 0 H ALA A 90 6.159 -10.990 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 90 6.635 -11.514 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.829 -12.702 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.161 -11.502 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.139 -13.231 -4.296 1.00 0.00 H new ATOM 1374 N LYS A 91 8.140 -13.557 -4.218 1.00 0.00 N ATOM 1375 CA LYS A 91 8.942 -14.802 -4.117 1.00 0.00 C ATOM 1376 C LYS A 91 8.490 -15.613 -2.900 1.00 0.00 C ATOM 1377 O LYS A 91 7.470 -16.274 -2.929 1.00 0.00 O ATOM 1378 CB LYS A 91 10.419 -14.433 -3.973 1.00 0.00 C ATOM 1379 CG LYS A 91 10.867 -13.622 -5.194 1.00 0.00 C ATOM 1380 CD LYS A 91 12.320 -13.962 -5.542 1.00 0.00 C ATOM 1381 CE LYS A 91 13.231 -13.579 -4.374 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.957 -12.170 -3.973 1.00 0.00 N ATOM 0 H LYS A 91 8.678 -12.691 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 91 8.800 -15.404 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.573 -13.854 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.023 -15.336 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.220 -13.840 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.773 -12.556 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.414 -15.027 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.623 -13.428 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.060 -14.248 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.276 -13.690 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.809 -11.594 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.176 -11.792 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.695 -12.140 -2.967 1.00 0.00 H new ATOM 1396 N LYS A 92 9.242 -15.576 -1.832 1.00 0.00 N ATOM 1397 CA LYS A 92 8.855 -16.351 -0.620 1.00 0.00 C ATOM 1398 C LYS A 92 9.263 -15.574 0.639 1.00 0.00 C ATOM 1399 O LYS A 92 8.587 -14.653 1.051 1.00 0.00 O ATOM 1400 CB LYS A 92 9.553 -17.717 -0.655 1.00 0.00 C ATOM 1401 CG LYS A 92 9.023 -18.610 0.472 1.00 0.00 C ATOM 1402 CD LYS A 92 10.030 -19.727 0.754 1.00 0.00 C ATOM 1403 CE LYS A 92 9.286 -20.993 1.180 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.442 -20.695 2.371 1.00 0.00 N ATOM 0 H LYS A 92 10.107 -15.042 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 92 7.776 -16.501 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.383 -18.196 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.630 -17.586 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.858 -18.018 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.060 -19.036 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.627 -19.926 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.721 -19.418 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.664 -21.355 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.998 -21.785 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.167 -21.585 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.981 -20.109 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.588 -20.182 2.072 1.00 0.00 H new ATOM 1418 N GLU A 93 10.352 -15.940 1.260 1.00 0.00 N ATOM 1419 CA GLU A 93 10.787 -15.226 2.491 1.00 0.00 C ATOM 1420 C GLU A 93 10.792 -13.713 2.247 1.00 0.00 C ATOM 1421 O GLU A 93 10.631 -12.930 3.160 1.00 0.00 O ATOM 1422 CB GLU A 93 12.198 -15.682 2.870 1.00 0.00 C ATOM 1423 CG GLU A 93 12.486 -15.293 4.321 1.00 0.00 C ATOM 1424 CD GLU A 93 13.960 -15.559 4.637 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.698 -15.859 3.713 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.325 -15.457 5.797 1.00 0.00 O ATOM 0 H GLU A 93 10.959 -16.705 0.966 1.00 0.00 H new ATOM 0 HA GLU A 93 10.094 -15.455 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.289 -16.761 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.931 -15.223 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.253 -14.240 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.849 -15.865 4.996 1.00 0.00 H new ATOM 1433 N ASN A 94 10.979 -13.296 1.025 1.00 0.00 N ATOM 1434 CA ASN A 94 10.999 -11.834 0.734 1.00 0.00 C ATOM 1435 C ASN A 94 9.742 -11.178 1.311 1.00 0.00 C ATOM 1436 O ASN A 94 9.736 -10.009 1.641 1.00 0.00 O ATOM 1437 CB ASN A 94 11.040 -11.613 -0.780 1.00 0.00 C ATOM 1438 CG ASN A 94 12.087 -10.547 -1.110 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.800 -10.661 -2.087 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.212 -9.509 -0.330 1.00 0.00 N ATOM 0 H ASN A 94 11.119 -13.903 0.217 1.00 0.00 H new ATOM 0 HA ASN A 94 11.883 -11.388 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.282 -12.546 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.060 -11.299 -1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.908 -8.794 -0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.614 -9.413 0.490 1.00 0.00 H new ATOM 1447 N ILE A 95 8.677 -11.921 1.436 1.00 0.00 N ATOM 1448 CA ILE A 95 7.423 -11.340 1.991 1.00 0.00 C ATOM 1449 C ILE A 95 7.595 -11.092 3.492 1.00 0.00 C ATOM 1450 O ILE A 95 6.975 -10.215 4.060 1.00 0.00 O ATOM 1451 CB ILE A 95 6.266 -12.314 1.762 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.073 -12.529 0.259 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.983 -11.735 2.361 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.135 -13.716 0.029 1.00 0.00 C ATOM 0 H ILE A 95 8.621 -12.906 1.177 1.00 0.00 H new ATOM 0 HA ILE A 95 7.207 -10.396 1.491 1.00 0.00 H new ATOM 0 HB ILE A 95 6.493 -13.266 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.658 -11.630 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.035 -12.714 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.159 -12.430 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.119 -11.579 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.755 -10.783 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.998 -13.869 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.568 -14.613 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.170 -13.512 0.493 1.00 0.00 H new ATOM 1466 N ILE A 96 8.433 -11.856 4.138 1.00 0.00 N ATOM 1467 CA ILE A 96 8.642 -11.661 5.601 1.00 0.00 C ATOM 1468 C ILE A 96 9.480 -10.402 5.830 1.00 0.00 C ATOM 1469 O ILE A 96 9.116 -9.534 6.598 1.00 0.00 O ATOM 1470 CB ILE A 96 9.366 -12.876 6.182 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.403 -14.065 6.233 1.00 0.00 C ATOM 1472 CG2 ILE A 96 9.851 -12.554 7.598 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.188 -15.348 6.512 1.00 0.00 C ATOM 0 H ILE A 96 8.981 -12.606 3.717 1.00 0.00 H new ATOM 0 HA ILE A 96 7.677 -11.549 6.096 1.00 0.00 H new ATOM 0 HB ILE A 96 10.221 -13.124 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.655 -13.908 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.867 -14.153 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.367 -13.420 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.535 -11.706 7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.997 -12.306 8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.502 -16.194 6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.919 -15.507 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.704 -15.258 7.468 1.00 0.00 H new ATOM 1485 N ALA A 97 10.596 -10.296 5.165 1.00 0.00 N ATOM 1486 CA ALA A 97 11.457 -9.090 5.338 1.00 0.00 C ATOM 1487 C ALA A 97 10.589 -7.840 5.243 1.00 0.00 C ATOM 1488 O ALA A 97 10.691 -6.932 6.043 1.00 0.00 O ATOM 1489 CB ALA A 97 12.514 -9.053 4.233 1.00 0.00 C ATOM 0 H ALA A 97 10.950 -10.992 4.509 1.00 0.00 H new ATOM 0 HA ALA A 97 11.948 -9.128 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.143 -8.172 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.131 -9.950 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.023 -9.011 3.261 1.00 0.00 H new ATOM 1495 N ALA A 98 9.735 -7.791 4.267 1.00 0.00 N ATOM 1496 CA ALA A 98 8.852 -6.609 4.107 1.00 0.00 C ATOM 1497 C ALA A 98 8.037 -6.401 5.387 1.00 0.00 C ATOM 1498 O ALA A 98 8.015 -5.326 5.954 1.00 0.00 O ATOM 1499 CB ALA A 98 7.909 -6.854 2.932 1.00 0.00 C ATOM 0 H ALA A 98 9.609 -8.523 3.568 1.00 0.00 H new ATOM 0 HA ALA A 98 9.453 -5.719 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.255 -5.992 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.492 -7.005 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.306 -7.741 3.128 1.00 0.00 H new ATOM 1505 N ALA A 99 7.360 -7.420 5.840 1.00 0.00 N ATOM 1506 CA ALA A 99 6.537 -7.286 7.073 1.00 0.00 C ATOM 1507 C ALA A 99 7.384 -6.718 8.216 1.00 0.00 C ATOM 1508 O ALA A 99 6.944 -5.861 8.955 1.00 0.00 O ATOM 1509 CB ALA A 99 5.996 -8.658 7.474 1.00 0.00 C ATOM 0 H ALA A 99 7.342 -8.343 5.407 1.00 0.00 H new ATOM 0 HA ALA A 99 5.708 -6.606 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.393 -8.562 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.381 -9.056 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.828 -9.336 7.664 1.00 0.00 H new ATOM 1515 N GLN A 100 8.593 -7.188 8.372 1.00 0.00 N ATOM 1516 CA GLN A 100 9.451 -6.665 9.473 1.00 0.00 C ATOM 1517 C GLN A 100 9.415 -5.139 9.443 1.00 0.00 C ATOM 1518 O GLN A 100 9.579 -4.479 10.450 1.00 0.00 O ATOM 1519 CB GLN A 100 10.891 -7.146 9.282 1.00 0.00 C ATOM 1520 CG GLN A 100 10.935 -8.674 9.351 1.00 0.00 C ATOM 1521 CD GLN A 100 12.368 -9.154 9.113 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.573 -10.358 8.652 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 13.312 -8.425 9.348 1.00 0.00 N flip ATOM 0 H GLN A 100 9.021 -7.907 7.788 1.00 0.00 H new ATOM 0 HA GLN A 100 9.080 -7.028 10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.275 -6.804 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.533 -6.718 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.583 -9.015 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.268 -9.102 8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.153 -7.484 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.264 -8.754 9.185 1.00 0.00 H new ATOM 1532 N ALA A 101 9.198 -4.579 8.288 1.00 0.00 N ATOM 1533 CA ALA A 101 9.144 -3.093 8.176 1.00 0.00 C ATOM 1534 C ALA A 101 7.700 -2.618 8.378 1.00 0.00 C ATOM 1535 O ALA A 101 7.133 -2.761 9.443 1.00 0.00 O ATOM 1536 CB ALA A 101 9.632 -2.672 6.786 1.00 0.00 C ATOM 0 H ALA A 101 9.055 -5.085 7.414 1.00 0.00 H new ATOM 0 HA ALA A 101 9.782 -2.645 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.594 -1.586 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.658 -3.012 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.992 -3.119 6.025 1.00 0.00 H new ATOM 1542 N GLY A 102 7.108 -2.060 7.353 1.00 0.00 N ATOM 1543 CA GLY A 102 5.706 -1.571 7.438 1.00 0.00 C ATOM 1544 C GLY A 102 4.882 -2.246 6.341 1.00 0.00 C ATOM 1545 O GLY A 102 3.673 -2.148 6.303 1.00 0.00 O ATOM 0 H GLY A 102 7.550 -1.922 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.286 -1.797 8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.676 -0.488 7.320 1.00 0.00 H new ATOM 1549 N ALA A 103 5.547 -2.951 5.467 1.00 0.00 N ATOM 1550 CA ALA A 103 4.866 -3.683 4.353 1.00 0.00 C ATOM 1551 C ALA A 103 3.833 -4.667 4.908 1.00 0.00 C ATOM 1552 O ALA A 103 3.339 -5.525 4.202 1.00 0.00 O ATOM 1553 CB ALA A 103 5.911 -4.437 3.543 1.00 0.00 C ATOM 0 H ALA A 103 6.562 -3.055 5.477 1.00 0.00 H new ATOM 0 HA ALA A 103 4.349 -2.964 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.423 -4.973 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.632 -3.730 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.428 -5.148 4.188 1.00 0.00 H new ATOM 1559 N SER A 104 3.554 -4.566 6.176 1.00 0.00 N ATOM 1560 CA SER A 104 2.594 -5.496 6.861 1.00 0.00 C ATOM 1561 C SER A 104 1.510 -6.015 5.908 1.00 0.00 C ATOM 1562 O SER A 104 1.076 -7.143 6.025 1.00 0.00 O ATOM 1563 CB SER A 104 1.909 -4.748 8.008 1.00 0.00 C ATOM 1564 OG SER A 104 2.769 -4.733 9.140 1.00 0.00 O ATOM 0 H SER A 104 3.960 -3.859 6.790 1.00 0.00 H new ATOM 0 HA SER A 104 3.165 -6.350 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.673 -3.729 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.965 -5.232 8.260 1.00 0.00 H new ATOM 0 HG SER A 104 2.334 -4.253 9.875 1.00 0.00 H new ATOM 1570 N GLY A 105 1.065 -5.216 4.977 1.00 0.00 N ATOM 1571 CA GLY A 105 0.004 -5.690 4.040 1.00 0.00 C ATOM 1572 C GLY A 105 0.631 -6.150 2.721 1.00 0.00 C ATOM 1573 O GLY A 105 1.452 -5.469 2.141 1.00 0.00 O ATOM 0 H GLY A 105 1.387 -4.260 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.551 -6.511 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.710 -4.888 3.852 1.00 0.00 H new ATOM 1577 N TYR A 106 0.236 -7.297 2.237 1.00 0.00 N ATOM 1578 CA TYR A 106 0.789 -7.798 0.946 1.00 0.00 C ATOM 1579 C TYR A 106 -0.297 -8.559 0.197 1.00 0.00 C ATOM 1580 O TYR A 106 -0.933 -9.443 0.736 1.00 0.00 O ATOM 1581 CB TYR A 106 1.967 -8.741 1.199 1.00 0.00 C ATOM 1582 CG TYR A 106 2.029 -9.780 0.094 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.069 -9.384 -1.254 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.057 -11.143 0.416 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.135 -10.351 -2.265 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.126 -12.105 -0.596 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.164 -11.711 -1.934 1.00 0.00 C ATOM 1588 OH TYR A 106 2.237 -12.662 -2.930 1.00 0.00 O ATOM 0 H TYR A 106 -0.448 -7.910 2.681 1.00 0.00 H new ATOM 0 HA TYR A 106 1.132 -6.947 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.898 -8.176 1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.854 -9.230 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.049 -8.335 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.025 -11.452 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.164 -10.047 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.150 -13.154 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 106 1.544 -13.340 -2.786 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.505 -8.224 -1.043 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.542 -8.923 -1.852 1.00 0.00 C ATOM 1600 C VAL A 107 -0.952 -9.252 -3.219 1.00 0.00 C ATOM 1601 O VAL A 107 -0.461 -8.387 -3.920 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.761 -8.016 -2.030 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.330 -6.715 -2.709 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.793 -8.730 -2.904 1.00 0.00 C ATOM 0 H VAL A 107 0.003 -7.490 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.851 -9.837 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.198 -7.790 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.197 -6.067 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.588 -6.210 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.898 -6.939 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.665 -8.089 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.355 -8.950 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.096 -9.660 -2.423 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.988 -10.492 -3.608 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.421 -10.848 -4.931 1.00 0.00 C ATOM 1616 C VAL A 108 -1.344 -10.298 -6.027 1.00 0.00 C ATOM 1617 O VAL A 108 -2.401 -10.837 -6.287 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.323 -12.370 -5.061 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.547 -13.019 -4.411 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.269 -12.756 -6.542 1.00 0.00 C ATOM 0 H VAL A 108 -1.381 -11.266 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 108 0.576 -10.419 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 108 0.582 -12.717 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.477 -14.103 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.586 -12.747 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.451 -12.670 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.199 -13.840 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.173 -12.407 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.603 -12.296 -7.006 1.00 0.00 H new ATOM 1630 N LYS A 109 -0.958 -9.227 -6.661 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.817 -8.639 -7.731 1.00 0.00 C ATOM 1632 C LYS A 109 -1.786 -9.560 -8.966 1.00 0.00 C ATOM 1633 O LYS A 109 -0.841 -10.303 -9.132 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.265 -7.243 -8.074 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.439 -7.281 -9.367 1.00 0.00 C ATOM 1636 CD LYS A 109 0.307 -5.955 -9.532 1.00 0.00 C ATOM 1637 CE LYS A 109 0.906 -5.876 -10.938 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.178 -6.025 -11.949 1.00 0.00 N ATOM 0 H LYS A 109 -0.084 -8.731 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.851 -8.547 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.090 -6.539 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.646 -6.881 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.270 -8.108 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.091 -7.453 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.374 -5.120 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.096 -5.874 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.416 -4.923 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.652 -6.659 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.074 -5.497 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.299 -7.031 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.068 -5.651 -11.562 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.788 -9.477 -9.827 1.00 0.00 N ATOM 1653 CA PRO A 110 -3.969 -8.589 -9.677 1.00 0.00 C ATOM 1654 C PRO A 110 -4.926 -9.135 -8.606 1.00 0.00 C ATOM 1655 O PRO A 110 -4.815 -10.269 -8.185 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.673 -8.649 -11.040 1.00 0.00 C ATOM 1657 CG PRO A 110 -3.872 -9.621 -11.941 1.00 0.00 C ATOM 1658 CD PRO A 110 -2.778 -10.260 -11.073 1.00 0.00 C ATOM 0 HA PRO A 110 -3.678 -7.581 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.701 -8.993 -10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.718 -7.658 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.527 -10.386 -12.357 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.431 -9.088 -12.783 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.988 -11.312 -10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.805 -10.213 -11.563 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.871 -8.340 -8.176 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.840 -8.822 -7.147 1.00 0.00 C ATOM 1668 C PHE A 111 -8.212 -8.225 -7.396 1.00 0.00 C ATOM 1669 O PHE A 111 -8.360 -7.173 -7.987 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.411 -8.385 -5.745 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.006 -6.932 -5.776 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.977 -5.919 -5.853 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.653 -6.595 -5.765 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.577 -4.581 -5.924 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.258 -5.259 -5.827 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.219 -4.251 -5.911 1.00 0.00 C ATOM 0 H PHE A 111 -6.014 -7.381 -8.492 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.867 -9.910 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.229 -8.531 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.579 -8.999 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.027 -6.173 -5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.906 -7.373 -5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.320 -3.800 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.209 -5.005 -5.810 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.914 -3.217 -5.966 1.00 0.00 H new ATOM 1686 N THR A 112 -9.207 -8.872 -6.884 1.00 0.00 N ATOM 1687 CA THR A 112 -10.590 -8.349 -7.001 1.00 0.00 C ATOM 1688 C THR A 112 -10.905 -7.663 -5.674 1.00 0.00 C ATOM 1689 O THR A 112 -10.392 -8.051 -4.641 1.00 0.00 O ATOM 1690 CB THR A 112 -11.566 -9.505 -7.237 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.868 -10.605 -7.801 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.670 -9.054 -8.195 1.00 0.00 C ATOM 0 H THR A 112 -9.123 -9.755 -6.381 1.00 0.00 H new ATOM 0 HA THR A 112 -10.683 -7.656 -7.837 1.00 0.00 H new ATOM 0 HB THR A 112 -12.011 -9.805 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.492 -11.346 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.365 -9.877 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.206 -8.210 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.227 -8.753 -9.145 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.717 -6.643 -5.678 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.024 -5.948 -4.396 1.00 0.00 C ATOM 1702 C ALA A 113 -12.328 -6.984 -3.319 1.00 0.00 C ATOM 1703 O ALA A 113 -12.172 -6.730 -2.143 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.230 -5.026 -4.581 1.00 0.00 C ATOM 0 H ALA A 113 -12.178 -6.263 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.164 -5.351 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.449 -4.521 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.007 -4.284 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.095 -5.615 -4.887 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.734 -8.159 -3.708 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.014 -9.207 -2.694 1.00 0.00 C ATOM 1712 C ALA A 114 -11.687 -9.652 -2.090 1.00 0.00 C ATOM 1713 O ALA A 114 -11.563 -9.824 -0.893 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.713 -10.398 -3.351 1.00 0.00 C ATOM 0 H ALA A 114 -12.883 -8.436 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.667 -8.811 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.914 -11.162 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.653 -10.069 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.071 -10.814 -4.128 1.00 0.00 H new ATOM 1720 N THR A 115 -10.680 -9.816 -2.905 1.00 0.00 N ATOM 1721 CA THR A 115 -9.358 -10.220 -2.360 1.00 0.00 C ATOM 1722 C THR A 115 -8.824 -9.068 -1.517 1.00 0.00 C ATOM 1723 O THR A 115 -8.687 -9.194 -0.316 1.00 0.00 O ATOM 1724 CB THR A 115 -8.390 -10.528 -3.499 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.949 -10.075 -4.716 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.149 -12.036 -3.575 1.00 0.00 C ATOM 0 H THR A 115 -10.717 -9.688 -3.916 1.00 0.00 H new ATOM 0 HA THR A 115 -9.461 -11.118 -1.751 1.00 0.00 H new ATOM 0 HB THR A 115 -7.441 -10.023 -3.320 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.171 -9.124 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.458 -12.253 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.723 -12.384 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.095 -12.547 -3.756 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.528 -7.933 -2.115 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.025 -6.801 -1.291 1.00 0.00 C ATOM 1736 C LEU A 116 -8.922 -6.624 -0.060 1.00 0.00 C ATOM 1737 O LEU A 116 -8.451 -6.296 1.011 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.043 -5.517 -2.114 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.725 -4.763 -1.903 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.570 -5.537 -2.548 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.815 -3.367 -2.526 1.00 0.00 C ATOM 0 H LEU A 116 -8.613 -7.751 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.004 -7.015 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.177 -5.750 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.885 -4.892 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.542 -4.668 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.637 -4.994 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.495 -6.525 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.755 -5.643 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.874 -2.838 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.009 -3.457 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.626 -2.810 -2.056 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.206 -6.833 -0.195 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.107 -6.670 0.977 1.00 0.00 C ATOM 1755 C GLU A 117 -10.774 -7.722 2.034 1.00 0.00 C ATOM 1756 O GLU A 117 -10.323 -7.410 3.119 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.563 -6.839 0.535 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.460 -6.982 1.768 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.917 -6.729 1.374 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.145 -5.858 0.551 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.779 -7.412 1.903 1.00 0.00 O ATOM 0 H GLU A 117 -10.665 -7.108 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.968 -5.675 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.876 -5.979 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.661 -7.718 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.356 -7.980 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.153 -6.274 2.538 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.003 -8.965 1.724 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.714 -10.054 2.700 1.00 0.00 C ATOM 1770 C GLU A 118 -9.343 -9.831 3.342 1.00 0.00 C ATOM 1771 O GLU A 118 -9.108 -10.211 4.471 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.722 -11.401 1.968 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.081 -12.526 2.944 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.006 -12.628 4.026 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -8.839 -12.663 3.673 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -10.368 -12.670 5.191 1.00 0.00 O ATOM 0 H GLU A 118 -11.381 -9.278 0.830 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.476 -10.051 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.441 -11.375 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.744 -11.590 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.052 -12.330 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.164 -13.472 2.409 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.431 -9.224 2.633 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.077 -8.992 3.211 1.00 0.00 C ATOM 1785 C LYS A 119 -7.097 -7.754 4.112 1.00 0.00 C ATOM 1786 O LYS A 119 -6.645 -7.790 5.240 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.070 -8.782 2.078 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.756 -10.125 1.418 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.597 -10.801 2.154 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.270 -10.353 1.538 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.169 -10.572 2.519 1.00 0.00 N ATOM 0 H LYS A 119 -8.564 -8.880 1.682 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.788 -9.860 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.475 -8.089 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.156 -8.334 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.637 -10.767 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.496 -9.975 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.624 -10.542 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.693 -11.885 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.074 -10.913 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.322 -9.300 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.253 -10.397 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.283 -9.919 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.201 -11.553 2.864 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.612 -6.658 3.627 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.651 -5.422 4.458 1.00 0.00 C ATOM 1807 C LEU A 120 -8.495 -5.668 5.710 1.00 0.00 C ATOM 1808 O LEU A 120 -8.255 -5.094 6.754 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.263 -4.277 3.647 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.373 -3.037 3.755 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.976 -1.899 2.929 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.273 -2.599 5.220 1.00 0.00 C ATOM 0 H LEU A 120 -8.007 -6.565 2.691 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.636 -5.156 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.367 -4.573 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.264 -4.052 4.015 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.379 -3.276 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.341 -1.017 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.046 -2.205 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.971 -1.664 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.638 -1.716 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.268 -2.363 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.841 -3.406 5.812 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.483 -6.513 5.616 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.341 -6.790 6.802 1.00 0.00 C ATOM 1826 C ASN A 121 -9.616 -7.747 7.749 1.00 0.00 C ATOM 1827 O ASN A 121 -9.826 -7.727 8.946 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.656 -7.422 6.344 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.794 -6.414 6.518 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.842 -6.746 7.034 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.631 -5.186 6.107 1.00 0.00 N ATOM 0 H ASN A 121 -9.734 -7.024 4.770 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.549 -5.856 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.582 -7.726 5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.861 -8.322 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.383 -4.506 6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.751 -4.906 5.673 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.764 -8.585 7.227 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.029 -9.539 8.105 1.00 0.00 C ATOM 1840 C LYS A 122 -6.889 -8.805 8.813 1.00 0.00 C ATOM 1841 O LYS A 122 -6.421 -9.225 9.853 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.456 -10.680 7.261 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.185 -11.891 8.157 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.614 -13.033 7.314 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.396 -13.629 8.022 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.844 -14.746 7.204 1.00 0.00 N ATOM 0 H LYS A 122 -8.545 -8.651 6.233 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.715 -9.949 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.156 -10.949 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.534 -10.360 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.484 -11.622 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.107 -12.210 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.372 -13.801 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.331 -12.665 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.636 -12.862 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.678 -13.992 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.016 -15.152 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.570 -15.481 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.560 -14.386 6.271 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.437 -7.710 8.261 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.329 -6.959 8.912 1.00 0.00 C ATOM 1862 C ILE A 123 -5.898 -6.057 10.009 1.00 0.00 C ATOM 1863 O ILE A 123 -5.359 -5.977 11.095 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.594 -6.108 7.872 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.632 -7.008 7.082 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.804 -5.004 8.588 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.994 -6.228 5.926 1.00 0.00 C ATOM 0 H ILE A 123 -6.786 -7.306 7.392 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.626 -7.666 9.353 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.310 -5.651 7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.855 -7.389 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.170 -7.872 6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.279 -4.396 7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.490 -4.375 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.081 -5.456 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.315 -6.881 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.774 -5.869 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.438 -5.379 6.323 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.986 -5.379 9.747 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.568 -4.499 10.792 1.00 0.00 C ATOM 1881 C PHE A 124 -8.239 -5.354 11.859 1.00 0.00 C ATOM 1882 O PHE A 124 -8.736 -4.845 12.845 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.588 -3.538 10.172 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.937 -2.463 9.299 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.565 -2.120 9.398 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.745 -1.785 8.379 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.035 -1.117 8.583 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.205 -0.782 7.569 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.855 -0.449 7.670 1.00 0.00 C ATOM 0 H PHE A 124 -7.490 -5.399 8.860 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.771 -3.911 11.247 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.297 -4.107 9.571 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.158 -3.057 10.967 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.929 -2.634 10.104 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.791 -2.038 8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -4.989 -0.857 8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.836 -0.263 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.442 0.326 7.042 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.221 -6.646 11.709 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.821 -7.494 12.767 1.00 0.00 C ATOM 1901 C GLU A 125 -7.913 -7.378 13.984 1.00 0.00 C ATOM 1902 O GLU A 125 -8.310 -7.616 15.108 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.897 -8.950 12.299 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.802 -9.743 13.243 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.693 -11.235 12.921 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.416 -11.687 12.048 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.890 -11.900 13.553 1.00 0.00 O ATOM 0 H GLU A 125 -7.823 -7.144 10.913 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.835 -7.171 13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.285 -8.996 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.900 -9.389 12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.513 -9.562 14.278 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.835 -9.412 13.137 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.694 -6.970 13.750 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.729 -6.778 14.861 1.00 0.00 C ATOM 1916 C LYS A 126 -5.656 -5.279 15.156 1.00 0.00 C ATOM 1917 O LYS A 126 -5.417 -4.863 16.272 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.349 -7.294 14.441 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.279 -8.805 14.669 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.931 -9.335 14.177 1.00 0.00 C ATOM 1921 CE LYS A 126 -2.733 -10.770 14.674 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.363 -11.235 14.317 1.00 0.00 N ATOM 0 H LYS A 126 -6.325 -6.760 12.822 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.048 -7.327 15.747 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.167 -7.065 13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.571 -6.792 15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.405 -9.030 15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.092 -9.301 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.893 -9.308 13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.124 -8.699 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.874 -10.815 15.754 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.479 -11.427 14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.228 -12.209 14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.245 -11.207 13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.658 -10.614 14.763 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.886 -4.463 14.155 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.860 -2.990 14.372 1.00 0.00 C ATOM 1938 C LEU A 127 -7.202 -2.568 14.974 1.00 0.00 C ATOM 1939 O LEU A 127 -7.337 -1.492 15.524 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.634 -2.253 13.038 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.873 -0.948 13.298 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.415 -1.249 13.670 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.902 -0.082 12.038 1.00 0.00 C ATOM 0 H LEU A 127 -6.090 -4.757 13.200 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.043 -2.733 15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.070 -2.885 12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.591 -2.040 12.561 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.351 -0.419 14.123 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.885 -0.314 13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.388 -1.862 14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.934 -1.785 12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.361 0.846 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.430 -0.620 11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.935 0.146 11.777 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.199 -3.414 14.882 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.528 -3.065 15.457 1.00 0.00 C ATOM 1957 C GLY A 128 -9.950 -1.677 14.979 1.00 0.00 C ATOM 1958 O GLY A 128 -9.648 -0.679 15.603 1.00 0.00 O ATOM 0 H GLY A 128 -8.147 -4.329 14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.270 -3.804 15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.480 -3.086 16.546 1.00 0.00 H new ATOM 1962 N MET A 129 -10.652 -1.614 13.876 1.00 0.00 N ATOM 1963 CA MET A 129 -11.109 -0.297 13.339 1.00 0.00 C ATOM 1964 C MET A 129 -12.638 -0.244 13.362 1.00 0.00 C ATOM 1965 O MET A 129 -13.173 0.572 14.096 1.00 0.00 O ATOM 1966 CB MET A 129 -10.619 -0.138 11.900 1.00 0.00 C ATOM 1967 CG MET A 129 -9.384 0.765 11.879 1.00 0.00 C ATOM 1968 SD MET A 129 -8.511 0.557 10.306 1.00 0.00 S ATOM 1969 CE MET A 129 -7.447 2.014 10.445 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.249 -1.019 12.645 1.00 0.00 O ATOM 0 H MET A 129 -10.930 -2.424 13.321 1.00 0.00 H new ATOM 0 HA MET A 129 -10.705 0.508 13.953 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.377 -1.113 11.477 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.407 0.291 11.281 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.679 1.806 12.008 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.724 0.515 12.709 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.573 1.888 9.807 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.000 2.900 10.132 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.127 2.133 11.480 1.00 0.00 H new TER 1980 MET A 129