USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 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 60 ASN :FLIP amide:sc= -0.026 X(o=-0.9,f=-0.47) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.444 X(o=-0.47,f=-0.9) USER MOD Set 2.1: A 22 THR OG1 : rot -11:sc= 0.579 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= 0.588 F(o=-0.15,f=1.2) USER MOD Set 3.1: A 7 THR OG1 : rot 119:sc= 1.56 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.17 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= 0.067 X(o=0.067,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0197 (180deg=-0.207) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.447 USER MOD Single : A 20 SER OG : rot -37:sc= 0.0406 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0.452 (180deg=0.153) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= 0.431 K(o=0.43,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 1.96 (180deg=0.948) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 ASN : amide:sc= 0.407 K(o=0.41,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.314 X(o=0.31,f=-0.061) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -109:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.127 -2.158 4.431 1.00 0.00 N ATOM 2 CA MET A 1 -12.926 -2.399 2.991 1.00 0.00 C ATOM 3 C MET A 1 -11.719 -3.306 2.802 1.00 0.00 C ATOM 4 O MET A 1 -10.856 -3.336 3.672 1.00 0.00 O ATOM 5 CB MET A 1 -12.697 -1.069 2.243 1.00 0.00 C ATOM 6 CG MET A 1 -13.788 -0.830 1.212 1.00 0.00 C ATOM 7 SD MET A 1 -15.433 -0.660 1.947 1.00 0.00 S ATOM 8 CE MET A 1 -16.494 -0.865 0.493 1.00 0.00 C ATOM 0 H1 MET A 1 -14.033 -1.668 4.578 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.139 -3.067 4.937 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.352 -1.569 4.796 1.00 0.00 H new ATOM 0 HA MET A 1 -13.818 -2.875 2.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.679 -0.245 2.956 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.724 -1.087 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.554 0.072 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.797 -1.658 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.539 -0.785 0.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.264 -0.089 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.318 -1.845 0.049 1.00 0.00 H new ATOM 18 N GLN A 2 -11.609 -4.052 1.701 1.00 0.00 N ATOM 19 CA GLN A 2 -10.453 -4.912 1.450 1.00 0.00 C ATOM 20 C GLN A 2 -9.914 -4.634 0.052 1.00 0.00 C ATOM 21 O GLN A 2 -10.650 -4.172 -0.822 1.00 0.00 O ATOM 22 CB GLN A 2 -10.758 -6.406 1.677 1.00 0.00 C ATOM 23 CG GLN A 2 -11.692 -7.038 0.643 1.00 0.00 C ATOM 24 CD GLN A 2 -11.734 -8.558 0.780 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.254 -9.100 1.756 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.192 -9.287 -0.180 1.00 0.00 N ATOM 0 H GLN A 2 -12.314 -4.077 0.964 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.680 -4.670 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.818 -6.957 1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.201 -6.525 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.697 -6.633 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.359 -6.771 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.763 -8.832 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.203 -10.305 -0.115 1.00 0.00 H new ATOM 35 N ILE A 3 -8.625 -4.894 -0.143 1.00 0.00 N ATOM 36 CA ILE A 3 -7.887 -4.732 -1.391 1.00 0.00 C ATOM 37 C ILE A 3 -6.823 -5.829 -1.424 1.00 0.00 C ATOM 38 O ILE A 3 -6.518 -6.436 -0.390 1.00 0.00 O ATOM 39 CB ILE A 3 -7.266 -3.318 -1.570 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.950 -3.051 -0.804 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.267 -2.179 -1.310 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.062 -3.128 0.716 1.00 0.00 C ATOM 0 H ILE A 3 -8.033 -5.244 0.610 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.576 -4.826 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.997 -3.323 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.202 -3.771 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.583 -2.062 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.771 -1.219 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.102 -2.262 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.639 -2.248 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.089 -2.926 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.782 -2.388 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.395 -4.124 1.006 1.00 0.00 H new ATOM 54 N PHE A 4 -6.231 -6.052 -2.595 1.00 0.00 N ATOM 55 CA PHE A 4 -5.196 -7.051 -2.801 1.00 0.00 C ATOM 56 C PHE A 4 -3.893 -6.307 -3.061 1.00 0.00 C ATOM 57 O PHE A 4 -3.885 -5.299 -3.770 1.00 0.00 O ATOM 58 CB PHE A 4 -5.619 -7.975 -3.949 1.00 0.00 C ATOM 59 CG PHE A 4 -6.991 -8.585 -3.714 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.142 -9.619 -2.772 1.00 0.00 C ATOM 61 CD2 PHE A 4 -8.129 -8.068 -4.367 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.416 -10.150 -2.504 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.404 -8.586 -4.080 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.548 -9.632 -3.154 1.00 0.00 C ATOM 0 H PHE A 4 -6.465 -5.531 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.048 -7.692 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.628 -7.412 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.883 -8.771 -4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.277 -10.006 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.021 -7.272 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.524 -10.959 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.275 -8.179 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.527 -10.037 -2.942 1.00 0.00 H new ATOM 74 N VAL A 5 -2.775 -6.790 -2.531 1.00 0.00 N ATOM 75 CA VAL A 5 -1.453 -6.197 -2.662 1.00 0.00 C ATOM 76 C VAL A 5 -0.478 -7.273 -3.141 1.00 0.00 C ATOM 77 O VAL A 5 -0.273 -8.281 -2.464 1.00 0.00 O ATOM 78 CB VAL A 5 -1.021 -5.567 -1.318 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.253 -4.734 -1.509 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.104 -4.658 -0.706 1.00 0.00 C ATOM 0 H VAL A 5 -2.767 -7.644 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.463 -5.394 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.847 -6.398 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.547 -4.295 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.055 -5.374 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.063 -3.939 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.743 -4.245 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.329 -3.845 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.007 -5.240 -0.524 1.00 0.00 H new ATOM 90 N LYS A 6 0.083 -7.079 -4.334 1.00 0.00 N ATOM 91 CA LYS A 6 1.047 -7.980 -4.937 1.00 0.00 C ATOM 92 C LYS A 6 2.402 -7.659 -4.317 1.00 0.00 C ATOM 93 O LYS A 6 2.718 -6.479 -4.145 1.00 0.00 O ATOM 94 CB LYS A 6 1.080 -7.762 -6.460 1.00 0.00 C ATOM 95 CG LYS A 6 1.726 -8.939 -7.199 1.00 0.00 C ATOM 96 CD LYS A 6 0.763 -10.124 -7.357 1.00 0.00 C ATOM 97 CE LYS A 6 -0.057 -10.061 -8.649 1.00 0.00 C ATOM 98 NZ LYS A 6 0.789 -10.273 -9.841 1.00 0.00 N ATOM 0 H LYS A 6 -0.130 -6.269 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 6 0.784 -9.022 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.064 -7.618 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.631 -6.849 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.058 -8.609 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.613 -9.264 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.333 -11.053 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.085 -10.150 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.842 -10.817 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.551 -9.092 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.189 -10.527 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.311 -9.399 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.464 -11.042 -9.655 1.00 0.00 H new ATOM 112 N THR A 7 3.195 -8.668 -3.989 1.00 0.00 N ATOM 113 CA THR A 7 4.514 -8.500 -3.395 1.00 0.00 C ATOM 114 C THR A 7 5.610 -8.605 -4.460 1.00 0.00 C ATOM 115 O THR A 7 5.372 -9.103 -5.567 1.00 0.00 O ATOM 116 CB THR A 7 4.707 -9.560 -2.298 1.00 0.00 C ATOM 117 OG1 THR A 7 4.742 -10.832 -2.897 1.00 0.00 O ATOM 118 CG2 THR A 7 3.576 -9.540 -1.263 1.00 0.00 C ATOM 0 H THR A 7 2.936 -9.644 -4.131 1.00 0.00 H new ATOM 0 HA THR A 7 4.588 -7.507 -2.952 1.00 0.00 H new ATOM 0 HB THR A 7 5.640 -9.335 -1.781 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.605 -11.258 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.758 -10.307 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.539 -8.562 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.626 -9.737 -1.759 1.00 0.00 H new ATOM 126 N LEU A 8 6.832 -8.174 -4.121 1.00 0.00 N ATOM 127 CA LEU A 8 7.977 -8.250 -5.028 1.00 0.00 C ATOM 128 C LEU A 8 8.313 -9.716 -5.298 1.00 0.00 C ATOM 129 O LEU A 8 8.795 -10.034 -6.385 1.00 0.00 O ATOM 130 CB LEU A 8 9.209 -7.542 -4.443 1.00 0.00 C ATOM 131 CG LEU A 8 9.245 -6.028 -4.707 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.476 -5.436 -4.023 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.341 -5.703 -6.202 1.00 0.00 C ATOM 0 H LEU A 8 7.051 -7.765 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 8 7.708 -7.747 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.237 -7.713 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.108 -7.995 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 8 8.319 -5.606 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.511 -4.362 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.421 -5.622 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.375 -5.902 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.363 -4.622 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.252 -6.140 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.476 -6.116 -6.720 1.00 0.00 H new ATOM 145 N THR A 9 8.028 -10.602 -4.339 1.00 0.00 N ATOM 146 CA THR A 9 8.255 -12.037 -4.439 1.00 0.00 C ATOM 147 C THR A 9 7.269 -12.682 -5.431 1.00 0.00 C ATOM 148 O THR A 9 7.353 -13.882 -5.696 1.00 0.00 O ATOM 149 CB THR A 9 8.169 -12.655 -3.032 1.00 0.00 C ATOM 150 OG1 THR A 9 6.966 -12.287 -2.380 1.00 0.00 O ATOM 151 CG2 THR A 9 9.331 -12.193 -2.148 1.00 0.00 C ATOM 0 H THR A 9 7.620 -10.326 -3.446 1.00 0.00 H new ATOM 0 HA THR A 9 9.252 -12.230 -4.835 1.00 0.00 H new ATOM 0 HB THR A 9 8.208 -13.736 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.938 -12.695 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.241 -12.647 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.275 -12.495 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.305 -11.108 -2.051 1.00 0.00 H new ATOM 159 N GLY A 10 6.329 -11.904 -5.981 1.00 0.00 N ATOM 160 CA GLY A 10 5.331 -12.330 -6.946 1.00 0.00 C ATOM 161 C GLY A 10 4.122 -12.973 -6.290 1.00 0.00 C ATOM 162 O GLY A 10 3.427 -13.765 -6.928 1.00 0.00 O ATOM 0 H GLY A 10 6.247 -10.914 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.007 -11.470 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.782 -13.038 -7.641 1.00 0.00 H new ATOM 166 N LYS A 11 3.919 -12.734 -4.997 1.00 0.00 N ATOM 167 CA LYS A 11 2.822 -13.272 -4.210 1.00 0.00 C ATOM 168 C LYS A 11 1.691 -12.252 -4.158 1.00 0.00 C ATOM 169 O LYS A 11 1.874 -11.105 -4.560 1.00 0.00 O ATOM 170 CB LYS A 11 3.354 -13.531 -2.791 1.00 0.00 C ATOM 171 CG LYS A 11 2.713 -14.750 -2.122 1.00 0.00 C ATOM 172 CD LYS A 11 3.094 -14.810 -0.638 1.00 0.00 C ATOM 173 CE LYS A 11 2.191 -13.889 0.193 1.00 0.00 C ATOM 174 NZ LYS A 11 2.632 -13.817 1.601 1.00 0.00 N ATOM 0 H LYS A 11 4.540 -12.137 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 11 2.442 -14.194 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.434 -13.674 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.174 -12.650 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.629 -14.700 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.038 -15.661 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.007 -15.835 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.136 -14.515 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.193 -12.889 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.164 -14.252 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.998 -13.186 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.606 -14.768 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.603 -13.447 1.642 1.00 0.00 H new ATOM 188 N THR A 12 0.543 -12.629 -3.610 1.00 0.00 N ATOM 189 CA THR A 12 -0.602 -11.745 -3.457 1.00 0.00 C ATOM 190 C THR A 12 -1.048 -11.869 -2.004 1.00 0.00 C ATOM 191 O THR A 12 -1.117 -12.979 -1.469 1.00 0.00 O ATOM 192 CB THR A 12 -1.728 -12.088 -4.457 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.221 -12.191 -5.773 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.817 -11.008 -4.468 1.00 0.00 C ATOM 0 H THR A 12 0.380 -13.571 -3.255 1.00 0.00 H new ATOM 0 HA THR A 12 -0.336 -10.712 -3.684 1.00 0.00 H new ATOM 0 HB THR A 12 -2.149 -13.040 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.951 -12.410 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.593 -11.281 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.254 -10.921 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.379 -10.052 -4.756 1.00 0.00 H new ATOM 202 N ILE A 13 -1.349 -10.741 -1.366 1.00 0.00 N ATOM 203 CA ILE A 13 -1.813 -10.648 0.017 1.00 0.00 C ATOM 204 C ILE A 13 -3.091 -9.807 0.004 1.00 0.00 C ATOM 205 O ILE A 13 -3.223 -8.911 -0.828 1.00 0.00 O ATOM 206 CB ILE A 13 -0.718 -9.998 0.904 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.587 -10.824 0.851 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.181 -9.821 2.363 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.718 -10.297 1.743 1.00 0.00 C ATOM 0 H ILE A 13 -1.273 -9.829 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.018 -11.634 0.434 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.526 -9.004 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.363 -11.851 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.940 -10.854 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.382 -9.363 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.063 -9.181 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.427 -10.794 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.592 -10.940 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.976 -9.282 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.390 -10.294 2.783 1.00 0.00 H new ATOM 221 N THR A 14 -4.019 -10.072 0.916 1.00 0.00 N ATOM 222 CA THR A 14 -5.271 -9.344 1.062 1.00 0.00 C ATOM 223 C THR A 14 -5.149 -8.579 2.381 1.00 0.00 C ATOM 224 O THR A 14 -4.551 -9.083 3.336 1.00 0.00 O ATOM 225 CB THR A 14 -6.485 -10.291 1.068 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.384 -11.283 0.059 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.774 -9.484 0.859 1.00 0.00 C ATOM 0 H THR A 14 -3.916 -10.825 1.596 1.00 0.00 H new ATOM 0 HA THR A 14 -5.437 -8.669 0.222 1.00 0.00 H new ATOM 0 HB THR A 14 -6.508 -10.793 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.807 -10.958 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.630 -10.158 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.881 -8.755 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.727 -8.965 -0.098 1.00 0.00 H new ATOM 235 N LEU A 15 -5.659 -7.348 2.438 1.00 0.00 N ATOM 236 CA LEU A 15 -5.621 -6.513 3.640 1.00 0.00 C ATOM 237 C LEU A 15 -7.021 -5.963 3.879 1.00 0.00 C ATOM 238 O LEU A 15 -7.916 -6.157 3.057 1.00 0.00 O ATOM 239 CB LEU A 15 -4.644 -5.326 3.492 1.00 0.00 C ATOM 240 CG LEU A 15 -3.197 -5.633 3.081 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.445 -4.310 2.893 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.460 -6.459 4.134 1.00 0.00 C ATOM 0 H LEU A 15 -6.114 -6.898 1.644 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.278 -7.126 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.062 -4.639 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.616 -4.796 4.444 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.231 -6.211 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.415 -4.515 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.932 -3.722 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.452 -3.751 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.441 -6.651 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.435 -5.910 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.978 -7.407 4.281 1.00 0.00 H new ATOM 254 N GLU A 16 -7.203 -5.256 4.989 1.00 0.00 N ATOM 255 CA GLU A 16 -8.450 -4.624 5.374 1.00 0.00 C ATOM 256 C GLU A 16 -8.080 -3.182 5.712 1.00 0.00 C ATOM 257 O GLU A 16 -7.170 -2.969 6.510 1.00 0.00 O ATOM 258 CB GLU A 16 -9.107 -5.377 6.533 1.00 0.00 C ATOM 259 CG GLU A 16 -10.509 -4.813 6.773 1.00 0.00 C ATOM 260 CD GLU A 16 -11.245 -5.609 7.839 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.779 -6.695 7.509 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.360 -5.135 8.988 1.00 0.00 O ATOM 0 H GLU A 16 -6.456 -5.105 5.667 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.198 -4.643 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.165 -6.441 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.503 -5.278 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.437 -3.769 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.077 -4.834 5.843 1.00 0.00 H new ATOM 269 N VAL A 17 -8.709 -2.203 5.070 1.00 0.00 N ATOM 270 CA VAL A 17 -8.495 -0.766 5.216 1.00 0.00 C ATOM 271 C VAL A 17 -9.836 -0.044 5.097 1.00 0.00 C ATOM 272 O VAL A 17 -10.812 -0.646 4.647 1.00 0.00 O ATOM 273 CB VAL A 17 -7.579 -0.282 4.059 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.190 -0.939 4.075 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.211 -0.500 2.660 1.00 0.00 C ATOM 0 H VAL A 17 -9.435 -2.407 4.383 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.039 -0.556 6.184 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.465 0.787 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.598 -0.559 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.688 -0.705 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.298 -2.020 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.526 -0.143 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.404 -1.562 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.149 0.052 2.594 1.00 0.00 H new ATOM 285 N GLU A 18 -9.896 1.250 5.401 1.00 0.00 N ATOM 286 CA GLU A 18 -11.117 2.031 5.263 1.00 0.00 C ATOM 287 C GLU A 18 -10.802 3.329 4.518 1.00 0.00 C ATOM 288 O GLU A 18 -9.660 3.783 4.545 1.00 0.00 O ATOM 289 CB GLU A 18 -11.765 2.355 6.603 1.00 0.00 C ATOM 290 CG GLU A 18 -12.285 1.135 7.389 1.00 0.00 C ATOM 291 CD GLU A 18 -13.273 0.212 6.659 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.425 -0.959 7.095 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.914 0.590 5.656 1.00 0.00 O ATOM 0 H GLU A 18 -9.100 1.784 5.749 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.830 1.427 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.040 2.884 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.596 3.039 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.427 0.538 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.765 1.496 8.298 1.00 0.00 H new ATOM 300 N PRO A 19 -11.793 3.974 3.882 1.00 0.00 N ATOM 301 CA PRO A 19 -11.596 5.216 3.139 1.00 0.00 C ATOM 302 C PRO A 19 -10.964 6.354 3.952 1.00 0.00 C ATOM 303 O PRO A 19 -10.213 7.159 3.387 1.00 0.00 O ATOM 304 CB PRO A 19 -12.985 5.598 2.626 1.00 0.00 C ATOM 305 CG PRO A 19 -13.687 4.243 2.550 1.00 0.00 C ATOM 306 CD PRO A 19 -13.174 3.526 3.774 1.00 0.00 C ATOM 0 HA PRO A 19 -10.876 5.055 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.495 6.283 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.939 6.087 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.772 4.349 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.435 3.709 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.750 3.787 4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.236 2.444 3.660 1.00 0.00 H new ATOM 314 N SER A 20 -11.275 6.449 5.249 1.00 0.00 N ATOM 315 CA SER A 20 -10.753 7.465 6.151 1.00 0.00 C ATOM 316 C SER A 20 -9.346 7.117 6.641 1.00 0.00 C ATOM 317 O SER A 20 -8.675 8.003 7.176 1.00 0.00 O ATOM 318 CB SER A 20 -11.734 7.673 7.315 1.00 0.00 C ATOM 319 OG SER A 20 -11.466 8.871 8.022 1.00 0.00 O ATOM 0 H SER A 20 -11.915 5.800 5.707 1.00 0.00 H new ATOM 0 HA SER A 20 -10.661 8.405 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.754 7.698 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.672 6.826 7.998 1.00 0.00 H new ATOM 0 HG SER A 20 -10.497 9.009 8.076 1.00 0.00 H new ATOM 325 N ASP A 21 -8.880 5.872 6.489 1.00 0.00 N ATOM 326 CA ASP A 21 -7.540 5.510 6.946 1.00 0.00 C ATOM 327 C ASP A 21 -6.485 6.229 6.117 1.00 0.00 C ATOM 328 O ASP A 21 -6.623 6.382 4.896 1.00 0.00 O ATOM 329 CB ASP A 21 -7.270 4.000 6.868 1.00 0.00 C ATOM 330 CG ASP A 21 -7.896 3.200 8.002 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.156 1.995 7.805 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.108 3.769 9.101 1.00 0.00 O ATOM 0 H ASP A 21 -9.405 5.110 6.059 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.485 5.813 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.649 3.622 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.193 3.833 6.871 1.00 0.00 H new ATOM 337 N THR A 22 -5.437 6.706 6.792 1.00 0.00 N ATOM 338 CA THR A 22 -4.344 7.380 6.113 1.00 0.00 C ATOM 339 C THR A 22 -3.474 6.295 5.488 1.00 0.00 C ATOM 340 O THR A 22 -3.480 5.145 5.949 1.00 0.00 O ATOM 341 CB THR A 22 -3.525 8.263 7.060 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.015 7.511 8.138 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.351 9.418 7.615 1.00 0.00 C ATOM 0 H THR A 22 -5.328 6.635 7.804 1.00 0.00 H new ATOM 0 HA THR A 22 -4.741 8.054 5.353 1.00 0.00 H new ATOM 0 HB THR A 22 -2.702 8.669 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.433 6.625 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.733 10.020 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.708 10.038 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.203 9.023 8.168 1.00 0.00 H new ATOM 351 N ILE A 23 -2.660 6.658 4.501 1.00 0.00 N ATOM 352 CA ILE A 23 -1.779 5.708 3.833 1.00 0.00 C ATOM 353 C ILE A 23 -0.821 5.029 4.821 1.00 0.00 C ATOM 354 O ILE A 23 -0.411 3.892 4.589 1.00 0.00 O ATOM 355 CB ILE A 23 -1.066 6.417 2.668 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.061 6.939 1.604 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.039 5.481 2.029 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.135 5.950 1.140 1.00 0.00 C ATOM 0 H ILE A 23 -2.593 7.611 4.145 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.367 4.892 3.413 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.552 7.286 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.559 7.822 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.492 7.261 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.459 5.994 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.700 5.189 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.543 4.592 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.772 6.428 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.658 5.074 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.741 5.644 1.993 1.00 0.00 H new ATOM 370 N GLU A 24 -0.495 5.678 5.940 1.00 0.00 N ATOM 371 CA GLU A 24 0.394 5.106 6.941 1.00 0.00 C ATOM 372 C GLU A 24 -0.206 3.801 7.485 1.00 0.00 C ATOM 373 O GLU A 24 0.535 2.861 7.754 1.00 0.00 O ATOM 374 CB GLU A 24 0.642 6.127 8.058 1.00 0.00 C ATOM 375 CG GLU A 24 1.299 7.427 7.569 1.00 0.00 C ATOM 376 CD GLU A 24 2.788 7.253 7.273 1.00 0.00 C ATOM 377 OE1 GLU A 24 3.624 7.777 8.049 1.00 0.00 O ATOM 378 OE2 GLU A 24 3.135 6.650 6.237 1.00 0.00 O ATOM 0 H GLU A 24 -0.840 6.609 6.173 1.00 0.00 H new ATOM 0 HA GLU A 24 1.356 4.866 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.307 6.367 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.277 5.673 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.790 7.771 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.170 8.202 8.324 1.00 0.00 H new ATOM 385 N ASN A 25 -1.541 3.715 7.593 1.00 0.00 N ATOM 386 CA ASN A 25 -2.241 2.519 8.077 1.00 0.00 C ATOM 387 C ASN A 25 -1.999 1.396 7.097 1.00 0.00 C ATOM 388 O ASN A 25 -1.681 0.275 7.465 1.00 0.00 O ATOM 389 CB ASN A 25 -3.769 2.671 8.137 1.00 0.00 C ATOM 390 CG ASN A 25 -4.142 3.645 9.207 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.996 4.906 8.887 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.503 3.286 10.323 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.168 4.480 7.345 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.859 2.337 9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.147 3.013 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.232 1.704 8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.604 2.293 10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.702 3.981 11.043 1.00 0.00 H new ATOM 399 N VAL A 26 -2.206 1.694 5.820 1.00 0.00 N ATOM 400 CA VAL A 26 -2.047 0.770 4.717 1.00 0.00 C ATOM 401 C VAL A 26 -0.615 0.230 4.742 1.00 0.00 C ATOM 402 O VAL A 26 -0.414 -0.982 4.661 1.00 0.00 O ATOM 403 CB VAL A 26 -2.435 1.486 3.408 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.591 0.453 2.285 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.737 2.305 3.567 1.00 0.00 C ATOM 0 H VAL A 26 -2.500 2.623 5.519 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.708 -0.093 4.799 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.639 2.186 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.865 0.960 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.648 -0.076 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.370 -0.260 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.977 2.794 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.553 1.640 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.600 3.059 4.342 1.00 0.00 H new ATOM 415 N LYS A 27 0.372 1.119 4.891 1.00 0.00 N ATOM 416 CA LYS A 27 1.785 0.774 4.955 1.00 0.00 C ATOM 417 C LYS A 27 2.063 -0.085 6.197 1.00 0.00 C ATOM 418 O LYS A 27 2.883 -1.000 6.136 1.00 0.00 O ATOM 419 CB LYS A 27 2.595 2.075 4.907 1.00 0.00 C ATOM 420 CG LYS A 27 4.100 1.821 4.753 1.00 0.00 C ATOM 421 CD LYS A 27 4.880 3.081 4.357 1.00 0.00 C ATOM 422 CE LYS A 27 4.566 4.253 5.293 1.00 0.00 C ATOM 423 NZ LYS A 27 5.429 5.429 5.058 1.00 0.00 N ATOM 0 H LYS A 27 0.200 2.121 4.972 1.00 0.00 H new ATOM 0 HA LYS A 27 2.088 0.164 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.246 2.687 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.417 2.645 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.496 1.435 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.258 1.050 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.949 2.871 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.632 3.356 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.523 4.543 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.681 3.926 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.932 6.290 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.310 5.327 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.653 5.498 4.045 1.00 0.00 H new ATOM 437 N ALA A 28 1.388 0.172 7.317 1.00 0.00 N ATOM 438 CA ALA A 28 1.541 -0.581 8.554 1.00 0.00 C ATOM 439 C ALA A 28 0.967 -1.997 8.385 1.00 0.00 C ATOM 440 O ALA A 28 1.620 -2.988 8.718 1.00 0.00 O ATOM 441 CB ALA A 28 0.840 0.181 9.691 1.00 0.00 C ATOM 0 H ALA A 28 0.706 0.927 7.387 1.00 0.00 H new ATOM 0 HA ALA A 28 2.597 -0.684 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.949 -0.375 10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.292 1.167 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.219 0.292 9.456 1.00 0.00 H new ATOM 447 N LYS A 29 -0.238 -2.099 7.819 1.00 0.00 N ATOM 448 CA LYS A 29 -0.982 -3.334 7.569 1.00 0.00 C ATOM 449 C LYS A 29 -0.278 -4.277 6.601 1.00 0.00 C ATOM 450 O LYS A 29 -0.511 -5.486 6.687 1.00 0.00 O ATOM 451 CB LYS A 29 -2.377 -2.973 7.047 1.00 0.00 C ATOM 452 CG LYS A 29 -3.258 -2.357 8.146 1.00 0.00 C ATOM 453 CD LYS A 29 -4.430 -1.603 7.511 1.00 0.00 C ATOM 454 CE LYS A 29 -5.488 -1.186 8.537 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.274 -2.334 9.029 1.00 0.00 N ATOM 0 H LYS A 29 -0.749 -1.274 7.505 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.053 -3.874 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.284 -2.270 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.860 -3.867 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.632 -3.140 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.667 -1.678 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.053 -0.716 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.894 -2.233 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.001 -0.695 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.160 -0.455 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.052 -1.991 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.665 -2.859 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.660 -2.962 9.585 1.00 0.00 H new ATOM 469 N ILE A 30 0.538 -3.773 5.671 1.00 0.00 N ATOM 470 CA ILE A 30 1.259 -4.643 4.747 1.00 0.00 C ATOM 471 C ILE A 30 2.525 -5.141 5.457 1.00 0.00 C ATOM 472 O ILE A 30 2.843 -6.330 5.382 1.00 0.00 O ATOM 473 CB ILE A 30 1.485 -3.965 3.379 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.128 -4.908 2.349 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.306 -2.676 3.456 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.326 -6.178 2.036 1.00 0.00 C ATOM 0 H ILE A 30 0.713 -2.777 5.541 1.00 0.00 H new ATOM 0 HA ILE A 30 0.669 -5.522 4.488 1.00 0.00 H new ATOM 0 HB ILE A 30 0.480 -3.704 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.281 -4.357 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.113 -5.200 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.422 -2.258 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.793 -1.955 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.288 -2.895 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.863 -6.775 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.194 -6.759 2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.350 -5.903 1.637 1.00 0.00 H new ATOM 488 N GLN A 31 3.216 -4.271 6.209 1.00 0.00 N ATOM 489 CA GLN A 31 4.419 -4.648 6.949 1.00 0.00 C ATOM 490 C GLN A 31 4.080 -5.731 7.977 1.00 0.00 C ATOM 491 O GLN A 31 4.895 -6.605 8.260 1.00 0.00 O ATOM 492 CB GLN A 31 5.003 -3.440 7.673 1.00 0.00 C ATOM 493 CG GLN A 31 5.791 -2.503 6.761 1.00 0.00 C ATOM 494 CD GLN A 31 6.201 -1.277 7.567 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.192 -1.289 8.290 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.374 -0.247 7.550 1.00 0.00 N ATOM 0 H GLN A 31 2.954 -3.291 6.318 1.00 0.00 H new ATOM 0 HA GLN A 31 5.153 -5.029 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.193 -2.881 8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.655 -3.787 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.672 -3.010 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.184 -2.208 5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.556 -0.260 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.553 0.561 8.146 1.00 0.00 H new ATOM 505 N ASP A 32 2.841 -5.740 8.463 1.00 0.00 N ATOM 506 CA ASP A 32 2.296 -6.694 9.424 1.00 0.00 C ATOM 507 C ASP A 32 2.291 -8.141 8.883 1.00 0.00 C ATOM 508 O ASP A 32 1.951 -9.077 9.605 1.00 0.00 O ATOM 509 CB ASP A 32 0.874 -6.224 9.747 1.00 0.00 C ATOM 510 CG ASP A 32 0.072 -7.151 10.643 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.011 -7.577 10.182 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.414 -7.318 11.834 1.00 0.00 O ATOM 0 H ASP A 32 2.152 -5.042 8.181 1.00 0.00 H new ATOM 0 HA ASP A 32 2.921 -6.720 10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.932 -5.245 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.332 -6.091 8.811 1.00 0.00 H new ATOM 517 N LYS A 33 2.643 -8.342 7.604 1.00 0.00 N ATOM 518 CA LYS A 33 2.693 -9.633 6.911 1.00 0.00 C ATOM 519 C LYS A 33 4.003 -9.794 6.137 1.00 0.00 C ATOM 520 O LYS A 33 4.487 -10.918 5.983 1.00 0.00 O ATOM 521 CB LYS A 33 1.489 -9.741 5.962 1.00 0.00 C ATOM 522 CG LYS A 33 0.156 -9.694 6.729 1.00 0.00 C ATOM 523 CD LYS A 33 -1.003 -9.204 5.869 1.00 0.00 C ATOM 524 CE LYS A 33 -2.231 -8.871 6.723 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.014 -7.748 7.664 1.00 0.00 N ATOM 0 H LYS A 33 2.914 -7.568 6.997 1.00 0.00 H new ATOM 0 HA LYS A 33 2.649 -10.433 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.522 -8.927 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.552 -10.672 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.075 -10.689 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.263 -9.040 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.695 -8.320 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.263 -9.968 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.065 -8.626 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.521 -9.757 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.930 -7.323 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.549 -8.101 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.411 -7.030 7.214 1.00 0.00 H new ATOM 539 N GLU A 34 4.579 -8.695 5.643 1.00 0.00 N ATOM 540 CA GLU A 34 5.837 -8.716 4.902 1.00 0.00 C ATOM 541 C GLU A 34 7.024 -8.751 5.872 1.00 0.00 C ATOM 542 O GLU A 34 8.042 -9.358 5.553 1.00 0.00 O ATOM 543 CB GLU A 34 5.947 -7.481 3.995 1.00 0.00 C ATOM 544 CG GLU A 34 4.972 -7.476 2.810 1.00 0.00 C ATOM 545 CD GLU A 34 5.327 -8.533 1.765 1.00 0.00 C ATOM 546 OE1 GLU A 34 5.972 -8.181 0.751 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.008 -9.721 1.972 1.00 0.00 O ATOM 0 H GLU A 34 4.181 -7.762 5.748 1.00 0.00 H new ATOM 0 HA GLU A 34 5.855 -9.613 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.775 -6.588 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.965 -7.416 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.960 -7.653 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.975 -6.491 2.343 1.00 0.00 H new ATOM 554 N GLY A 35 6.915 -8.115 7.045 1.00 0.00 N ATOM 555 CA GLY A 35 7.961 -8.071 8.058 1.00 0.00 C ATOM 556 C GLY A 35 9.228 -7.438 7.498 1.00 0.00 C ATOM 557 O GLY A 35 10.262 -8.099 7.431 1.00 0.00 O ATOM 0 H GLY A 35 6.074 -7.606 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.615 -7.501 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.177 -9.080 8.408 1.00 0.00 H new ATOM 561 N ILE A 36 9.132 -6.195 7.020 1.00 0.00 N ATOM 562 CA ILE A 36 10.236 -5.425 6.447 1.00 0.00 C ATOM 563 C ILE A 36 10.099 -3.963 6.884 1.00 0.00 C ATOM 564 O ILE A 36 8.974 -3.550 7.178 1.00 0.00 O ATOM 565 CB ILE A 36 10.272 -5.565 4.901 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.961 -5.223 4.147 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.635 -7.003 4.515 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.698 -3.735 3.924 1.00 0.00 C ATOM 0 H ILE A 36 8.252 -5.680 7.022 1.00 0.00 H new ATOM 0 HA ILE A 36 11.185 -5.815 6.815 1.00 0.00 H new ATOM 0 HB ILE A 36 11.015 -4.827 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.980 -5.720 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.123 -5.643 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.658 -7.093 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.615 -7.252 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.890 -7.688 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.757 -3.608 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.639 -3.228 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.510 -3.306 3.337 1.00 0.00 H new ATOM 580 N PRO A 37 11.176 -3.159 6.926 1.00 0.00 N ATOM 581 CA PRO A 37 11.090 -1.755 7.323 1.00 0.00 C ATOM 582 C PRO A 37 10.233 -0.930 6.346 1.00 0.00 C ATOM 583 O PRO A 37 10.173 -1.279 5.165 1.00 0.00 O ATOM 584 CB PRO A 37 12.531 -1.226 7.302 1.00 0.00 C ATOM 585 CG PRO A 37 13.397 -2.480 7.345 1.00 0.00 C ATOM 586 CD PRO A 37 12.551 -3.522 6.626 1.00 0.00 C ATOM 0 HA PRO A 37 10.620 -1.670 8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.726 -0.639 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.729 -0.577 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.353 -2.325 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.618 -2.780 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.738 -3.510 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.780 -4.528 6.978 1.00 0.00 H new ATOM 594 N PRO A 38 9.664 0.221 6.766 1.00 0.00 N ATOM 595 CA PRO A 38 8.854 1.081 5.899 1.00 0.00 C ATOM 596 C PRO A 38 9.615 1.616 4.672 1.00 0.00 C ATOM 597 O PRO A 38 8.991 2.091 3.721 1.00 0.00 O ATOM 598 CB PRO A 38 8.420 2.267 6.774 1.00 0.00 C ATOM 599 CG PRO A 38 8.563 1.775 8.210 1.00 0.00 C ATOM 600 CD PRO A 38 9.663 0.718 8.134 1.00 0.00 C ATOM 0 HA PRO A 38 8.021 0.501 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.046 3.141 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.393 2.561 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.836 2.587 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.629 1.353 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.631 1.147 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.474 -0.090 8.840 1.00 0.00 H new ATOM 608 N ASP A 39 10.948 1.635 4.724 1.00 0.00 N ATOM 609 CA ASP A 39 11.866 2.092 3.682 1.00 0.00 C ATOM 610 C ASP A 39 12.230 0.919 2.760 1.00 0.00 C ATOM 611 O ASP A 39 12.138 -0.231 3.188 1.00 0.00 O ATOM 612 CB ASP A 39 13.108 2.637 4.388 1.00 0.00 C ATOM 613 CG ASP A 39 14.207 2.995 3.396 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.126 2.164 3.242 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.095 4.075 2.758 1.00 0.00 O ATOM 0 H ASP A 39 11.447 1.309 5.552 1.00 0.00 H new ATOM 0 HA ASP A 39 11.412 2.867 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.839 3.520 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.482 1.894 5.093 1.00 0.00 H new ATOM 620 N GLN A 40 12.736 1.154 1.542 1.00 0.00 N ATOM 621 CA GLN A 40 13.081 0.091 0.582 1.00 0.00 C ATOM 622 C GLN A 40 11.817 -0.699 0.205 1.00 0.00 C ATOM 623 O GLN A 40 11.836 -1.893 -0.087 1.00 0.00 O ATOM 624 CB GLN A 40 14.308 -0.739 1.008 1.00 0.00 C ATOM 625 CG GLN A 40 14.874 -1.533 -0.182 1.00 0.00 C ATOM 626 CD GLN A 40 16.273 -2.065 0.079 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.259 -1.453 -0.318 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.400 -3.205 0.723 1.00 0.00 N ATOM 0 H GLN A 40 12.920 2.094 1.190 1.00 0.00 H new ATOM 0 HA GLN A 40 13.435 0.541 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.077 -0.079 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.028 -1.425 1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.209 -2.367 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.892 -0.893 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.571 -3.703 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.328 -3.591 0.898 1.00 0.00 H new ATOM 637 N ASN A 41 10.673 -0.019 0.233 1.00 0.00 N ATOM 638 CA ASN A 41 9.366 -0.552 -0.096 1.00 0.00 C ATOM 639 C ASN A 41 8.493 0.635 -0.473 1.00 0.00 C ATOM 640 O ASN A 41 8.741 1.742 0.011 1.00 0.00 O ATOM 641 CB ASN A 41 8.778 -1.299 1.112 1.00 0.00 C ATOM 642 CG ASN A 41 8.471 -2.744 0.769 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.317 -3.149 0.767 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.483 -3.543 0.465 1.00 0.00 N ATOM 0 H ASN A 41 10.638 0.965 0.499 1.00 0.00 H new ATOM 0 HA ASN A 41 9.425 -1.264 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.482 -1.262 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.867 -0.800 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.308 -4.518 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.437 -3.183 0.473 1.00 0.00 H new ATOM 651 N ARG A 42 7.460 0.434 -1.285 1.00 0.00 N ATOM 652 CA ARG A 42 6.555 1.475 -1.745 1.00 0.00 C ATOM 653 C ARG A 42 5.312 0.807 -2.312 1.00 0.00 C ATOM 654 O ARG A 42 5.429 -0.200 -3.017 1.00 0.00 O ATOM 655 CB ARG A 42 7.327 2.265 -2.805 1.00 0.00 C ATOM 656 CG ARG A 42 6.509 3.080 -3.810 1.00 0.00 C ATOM 657 CD ARG A 42 7.571 3.778 -4.657 1.00 0.00 C ATOM 658 NE ARG A 42 7.036 4.385 -5.879 1.00 0.00 N ATOM 659 CZ ARG A 42 7.525 5.478 -6.470 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.412 6.241 -5.849 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.131 5.797 -7.695 1.00 0.00 N ATOM 0 H ARG A 42 7.224 -0.488 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 42 6.228 2.150 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.004 2.947 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.945 1.563 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.868 2.441 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.860 3.798 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.053 4.550 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.342 3.056 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 42 6.228 3.938 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.728 5.996 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.779 7.074 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.456 5.208 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.503 6.631 -8.149 1.00 0.00 H new ATOM 675 N LEU A 43 4.146 1.368 -2.001 1.00 0.00 N ATOM 676 CA LEU A 43 2.849 0.875 -2.445 1.00 0.00 C ATOM 677 C LEU A 43 2.470 1.599 -3.741 1.00 0.00 C ATOM 678 O LEU A 43 2.846 2.758 -3.936 1.00 0.00 O ATOM 679 CB LEU A 43 1.780 1.147 -1.364 1.00 0.00 C ATOM 680 CG LEU A 43 1.781 0.314 -0.059 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.192 -1.084 -0.263 1.00 0.00 C ATOM 682 CD2 LEU A 43 3.135 0.237 0.653 1.00 0.00 C ATOM 0 H LEU A 43 4.078 2.201 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 43 2.903 -0.200 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.863 2.196 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.804 1.019 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 43 1.127 0.872 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.215 -1.630 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.162 -0.998 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.780 -1.621 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.038 -0.366 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.870 -0.219 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.462 1.241 0.922 1.00 0.00 H new ATOM 694 N ILE A 44 1.704 0.945 -4.619 1.00 0.00 N ATOM 695 CA ILE A 44 1.236 1.477 -5.905 1.00 0.00 C ATOM 696 C ILE A 44 -0.163 0.922 -6.163 1.00 0.00 C ATOM 697 O ILE A 44 -0.408 -0.223 -5.808 1.00 0.00 O ATOM 698 CB ILE A 44 2.170 1.018 -7.061 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.623 1.510 -6.931 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.635 1.381 -8.460 1.00 0.00 C ATOM 701 CD1 ILE A 44 3.793 3.024 -7.069 1.00 0.00 C ATOM 0 H ILE A 44 1.380 -0.007 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 44 1.233 2.566 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 44 2.175 -0.067 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.013 1.200 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.230 1.018 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.335 1.032 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.666 0.906 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.525 2.463 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.847 3.283 -6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.437 3.342 -8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.217 3.527 -6.292 1.00 0.00 H new ATOM 713 N PHE A 45 -1.046 1.688 -6.807 1.00 0.00 N ATOM 714 CA PHE A 45 -2.417 1.325 -7.183 1.00 0.00 C ATOM 715 C PHE A 45 -2.534 1.790 -8.633 1.00 0.00 C ATOM 716 O PHE A 45 -2.742 2.978 -8.879 1.00 0.00 O ATOM 717 CB PHE A 45 -3.450 2.026 -6.281 1.00 0.00 C ATOM 718 CG PHE A 45 -4.862 2.003 -6.837 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.574 3.204 -7.012 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.439 0.785 -7.239 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.854 3.190 -7.593 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.698 0.778 -7.866 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.412 1.978 -8.033 1.00 0.00 C ATOM 0 H PHE A 45 -0.810 2.637 -7.098 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.615 0.259 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.447 1.548 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.145 3.062 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.135 4.140 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.916 -0.144 -7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.408 4.111 -7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.118 -0.152 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.387 1.968 -8.498 1.00 0.00 H new ATOM 733 N ALA A 46 -2.417 0.872 -9.593 1.00 0.00 N ATOM 734 CA ALA A 46 -2.482 1.111 -11.032 1.00 0.00 C ATOM 735 C ALA A 46 -1.627 2.328 -11.400 1.00 0.00 C ATOM 736 O ALA A 46 -2.111 3.354 -11.896 1.00 0.00 O ATOM 737 CB ALA A 46 -3.936 1.179 -11.507 1.00 0.00 C ATOM 0 H ALA A 46 -2.266 -0.113 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.050 0.270 -11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.960 1.358 -12.582 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.436 0.236 -11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.449 1.992 -10.993 1.00 0.00 H new ATOM 743 N GLY A 47 -0.348 2.233 -11.047 1.00 0.00 N ATOM 744 CA GLY A 47 0.671 3.237 -11.277 1.00 0.00 C ATOM 745 C GLY A 47 0.631 4.439 -10.332 1.00 0.00 C ATOM 746 O GLY A 47 1.619 5.163 -10.288 1.00 0.00 O ATOM 0 H GLY A 47 0.018 1.410 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.649 2.763 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.577 3.598 -12.301 1.00 0.00 H new ATOM 750 N LYS A 48 -0.448 4.686 -9.577 1.00 0.00 N ATOM 751 CA LYS A 48 -0.552 5.818 -8.664 1.00 0.00 C ATOM 752 C LYS A 48 0.439 5.602 -7.520 1.00 0.00 C ATOM 753 O LYS A 48 0.452 4.519 -6.933 1.00 0.00 O ATOM 754 CB LYS A 48 -2.011 5.929 -8.186 1.00 0.00 C ATOM 755 CG LYS A 48 -2.418 7.344 -7.758 1.00 0.00 C ATOM 756 CD LYS A 48 -3.368 8.055 -8.724 1.00 0.00 C ATOM 757 CE LYS A 48 -2.721 8.367 -10.075 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.550 9.311 -10.854 1.00 0.00 N ATOM 0 H LYS A 48 -1.279 4.095 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.297 6.762 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.672 5.598 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.161 5.249 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.891 7.290 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.518 7.948 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.248 7.432 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.713 8.984 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.730 8.792 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.586 7.444 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.090 9.506 -11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.487 8.893 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.657 10.199 -10.323 1.00 0.00 H new ATOM 772 N GLN A 49 1.295 6.585 -7.257 1.00 0.00 N ATOM 773 CA GLN A 49 2.318 6.567 -6.214 1.00 0.00 C ATOM 774 C GLN A 49 1.682 6.873 -4.863 1.00 0.00 C ATOM 775 O GLN A 49 1.380 8.036 -4.568 1.00 0.00 O ATOM 776 CB GLN A 49 3.432 7.581 -6.497 1.00 0.00 C ATOM 777 CG GLN A 49 4.289 7.273 -7.728 1.00 0.00 C ATOM 778 CD GLN A 49 3.831 7.984 -8.992 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.955 9.202 -9.122 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.304 7.276 -9.967 1.00 0.00 N ATOM 0 H GLN A 49 1.295 7.455 -7.789 1.00 0.00 H new ATOM 0 HA GLN A 49 2.762 5.572 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.983 8.566 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.083 7.636 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.321 7.553 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.280 6.197 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.199 6.267 -9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.001 7.736 -10.825 1.00 0.00 H new ATOM 789 N LEU A 50 1.453 5.844 -4.059 1.00 0.00 N ATOM 790 CA LEU A 50 0.838 5.950 -2.743 1.00 0.00 C ATOM 791 C LEU A 50 1.903 6.302 -1.701 1.00 0.00 C ATOM 792 O LEU A 50 2.929 5.617 -1.607 1.00 0.00 O ATOM 793 CB LEU A 50 0.155 4.611 -2.402 1.00 0.00 C ATOM 794 CG LEU A 50 -0.872 4.125 -3.451 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.322 2.696 -3.159 1.00 0.00 C ATOM 796 CD2 LEU A 50 -2.118 5.003 -3.494 1.00 0.00 C ATOM 0 H LEU A 50 1.697 4.886 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 50 0.088 6.741 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.923 3.847 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.347 4.710 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.361 4.178 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.044 2.381 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.459 2.031 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.785 2.655 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.807 4.620 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.604 4.994 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.835 6.024 -3.748 1.00 0.00 H new ATOM 808 N GLU A 51 1.697 7.367 -0.928 1.00 0.00 N ATOM 809 CA GLU A 51 2.601 7.817 0.123 1.00 0.00 C ATOM 810 C GLU A 51 1.784 8.515 1.218 1.00 0.00 C ATOM 811 O GLU A 51 0.572 8.685 1.080 1.00 0.00 O ATOM 812 CB GLU A 51 3.719 8.695 -0.462 1.00 0.00 C ATOM 813 CG GLU A 51 3.315 10.161 -0.660 1.00 0.00 C ATOM 814 CD GLU A 51 4.191 10.854 -1.702 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.971 11.767 -1.351 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.104 10.540 -2.916 1.00 0.00 O ATOM 0 H GLU A 51 0.870 7.957 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 51 3.105 6.967 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.585 8.653 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.029 8.281 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.271 10.212 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.391 10.691 0.290 1.00 0.00 H new ATOM 823 N ASP A 52 2.449 8.907 2.303 1.00 0.00 N ATOM 824 CA ASP A 52 1.837 9.564 3.453 1.00 0.00 C ATOM 825 C ASP A 52 1.243 10.941 3.165 1.00 0.00 C ATOM 826 O ASP A 52 1.385 11.505 2.079 1.00 0.00 O ATOM 827 CB ASP A 52 2.830 9.642 4.627 1.00 0.00 C ATOM 828 CG ASP A 52 4.025 10.572 4.402 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.848 11.801 4.275 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.167 10.049 4.390 1.00 0.00 O ATOM 0 H ASP A 52 3.455 8.772 2.408 1.00 0.00 H new ATOM 0 HA ASP A 52 0.989 8.934 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.293 9.973 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.203 8.639 4.835 1.00 0.00 H new ATOM 835 N GLY A 53 0.562 11.491 4.173 1.00 0.00 N ATOM 836 CA GLY A 53 -0.069 12.798 4.115 1.00 0.00 C ATOM 837 C GLY A 53 -1.475 12.790 3.527 1.00 0.00 C ATOM 838 O GLY A 53 -2.122 13.841 3.542 1.00 0.00 O ATOM 0 H GLY A 53 0.435 11.023 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.111 13.213 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.557 13.465 3.521 1.00 0.00 H new ATOM 842 N ARG A 54 -1.959 11.637 3.057 1.00 0.00 N ATOM 843 CA ARG A 54 -3.263 11.427 2.459 1.00 0.00 C ATOM 844 C ARG A 54 -3.959 10.201 3.042 1.00 0.00 C ATOM 845 O ARG A 54 -3.402 9.484 3.878 1.00 0.00 O ATOM 846 CB ARG A 54 -3.025 11.171 0.977 1.00 0.00 C ATOM 847 CG ARG A 54 -2.432 12.359 0.215 1.00 0.00 C ATOM 848 CD ARG A 54 -3.285 12.554 -1.029 1.00 0.00 C ATOM 849 NE ARG A 54 -2.710 13.510 -1.972 1.00 0.00 N ATOM 850 CZ ARG A 54 -3.242 13.901 -3.134 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.350 13.362 -3.635 1.00 0.00 N ATOM 852 NH2 ARG A 54 -2.634 14.877 -3.788 1.00 0.00 N ATOM 0 H ARG A 54 -1.410 10.778 3.090 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.893 12.296 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.356 10.317 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.971 10.893 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.439 13.257 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.394 12.166 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.415 11.594 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.277 12.896 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.812 13.921 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.830 12.618 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.720 13.693 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.791 15.302 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.008 15.205 -4.679 1.00 0.00 H new ATOM 866 N THR A 55 -5.160 9.951 2.535 1.00 0.00 N ATOM 867 CA THR A 55 -6.046 8.853 2.869 1.00 0.00 C ATOM 868 C THR A 55 -6.411 8.102 1.599 1.00 0.00 C ATOM 869 O THR A 55 -6.085 8.517 0.482 1.00 0.00 O ATOM 870 CB THR A 55 -7.337 9.354 3.545 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.068 10.237 2.707 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.113 10.019 4.890 1.00 0.00 C ATOM 0 H THR A 55 -5.567 10.560 1.825 1.00 0.00 H new ATOM 0 HA THR A 55 -5.526 8.198 3.568 1.00 0.00 H new ATOM 0 HB THR A 55 -7.917 8.448 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.616 11.106 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.070 10.343 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.648 9.309 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.461 10.883 4.764 1.00 0.00 H new ATOM 880 N LEU A 56 -7.118 6.990 1.781 1.00 0.00 N ATOM 881 CA LEU A 56 -7.586 6.173 0.680 1.00 0.00 C ATOM 882 C LEU A 56 -8.570 6.977 -0.179 1.00 0.00 C ATOM 883 O LEU A 56 -8.601 6.809 -1.401 1.00 0.00 O ATOM 884 CB LEU A 56 -8.275 4.920 1.250 1.00 0.00 C ATOM 885 CG LEU A 56 -7.483 3.633 0.955 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.992 2.974 2.243 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.363 2.676 0.157 1.00 0.00 C ATOM 0 H LEU A 56 -7.380 6.635 2.701 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.746 5.872 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.394 5.032 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.276 4.834 0.826 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.600 3.888 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.437 2.068 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.342 3.665 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.847 2.718 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.808 1.762 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.254 2.433 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.657 3.148 -0.781 1.00 0.00 H new ATOM 899 N SER A 57 -9.370 7.846 0.452 1.00 0.00 N ATOM 900 CA SER A 57 -10.346 8.655 -0.263 1.00 0.00 C ATOM 901 C SER A 57 -9.648 9.724 -1.105 1.00 0.00 C ATOM 902 O SER A 57 -10.043 9.944 -2.251 1.00 0.00 O ATOM 903 CB SER A 57 -11.334 9.275 0.734 1.00 0.00 C ATOM 904 OG SER A 57 -12.547 9.641 0.103 1.00 0.00 O ATOM 0 H SER A 57 -9.355 8.002 1.460 1.00 0.00 H new ATOM 0 HA SER A 57 -10.907 8.020 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.539 8.564 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.883 10.154 1.196 1.00 0.00 H new ATOM 0 HG SER A 57 -13.155 10.031 0.765 1.00 0.00 H new ATOM 910 N ASP A 58 -8.591 10.357 -0.585 1.00 0.00 N ATOM 911 CA ASP A 58 -7.864 11.411 -1.303 1.00 0.00 C ATOM 912 C ASP A 58 -7.176 10.899 -2.563 1.00 0.00 C ATOM 913 O ASP A 58 -6.794 11.702 -3.415 1.00 0.00 O ATOM 914 CB ASP A 58 -6.764 12.060 -0.466 1.00 0.00 C ATOM 915 CG ASP A 58 -7.222 12.700 0.834 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.663 12.321 1.891 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.102 13.588 0.800 1.00 0.00 O ATOM 0 H ASP A 58 -8.216 10.155 0.342 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.642 12.135 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.014 11.304 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.272 12.821 -1.072 1.00 0.00 H new ATOM 922 N TYR A 59 -6.962 9.586 -2.689 1.00 0.00 N ATOM 923 CA TYR A 59 -6.327 8.997 -3.858 1.00 0.00 C ATOM 924 C TYR A 59 -7.348 8.282 -4.754 1.00 0.00 C ATOM 925 O TYR A 59 -6.973 7.702 -5.777 1.00 0.00 O ATOM 926 CB TYR A 59 -5.164 8.101 -3.433 1.00 0.00 C ATOM 927 CG TYR A 59 -3.886 8.843 -3.070 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.284 9.759 -3.961 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.271 8.585 -1.836 1.00 0.00 C ATOM 930 CE1 TYR A 59 -2.060 10.376 -3.630 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.039 9.174 -1.516 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.411 10.058 -2.416 1.00 0.00 C ATOM 933 OH TYR A 59 -0.205 10.591 -2.083 1.00 0.00 O ATOM 0 H TYR A 59 -7.227 8.905 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.907 9.794 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.477 7.505 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.946 7.405 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.764 9.988 -4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.750 7.927 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.618 11.093 -4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.567 8.948 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 59 0.073 10.249 -1.208 1.00 0.00 H new ATOM 943 N ASN A 60 -8.632 8.310 -4.376 1.00 0.00 N ATOM 944 CA ASN A 60 -9.759 7.688 -5.063 1.00 0.00 C ATOM 945 C ASN A 60 -9.428 6.241 -5.433 1.00 0.00 C ATOM 946 O ASN A 60 -9.308 5.867 -6.603 1.00 0.00 O ATOM 947 CB ASN A 60 -10.240 8.527 -6.254 1.00 0.00 C ATOM 948 CG ASN A 60 -11.514 7.964 -6.810 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.428 7.528 -8.039 1.00 0.00 O flip ATOM 950 ND2 ASN A 60 -12.529 7.809 -6.137 1.00 0.00 N flip ATOM 0 H ASN A 60 -8.924 8.799 -3.530 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.605 7.654 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.398 9.559 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.473 8.543 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.565 8.161 -5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.336 7.328 -6.535 1.00 0.00 H new ATOM 957 N ILE A 61 -9.256 5.427 -4.401 1.00 0.00 N ATOM 958 CA ILE A 61 -8.923 4.013 -4.485 1.00 0.00 C ATOM 959 C ILE A 61 -10.189 3.246 -4.124 1.00 0.00 C ATOM 960 O ILE A 61 -10.671 3.316 -2.990 1.00 0.00 O ATOM 961 CB ILE A 61 -7.742 3.652 -3.554 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.545 4.608 -3.724 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.322 2.182 -3.768 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.422 4.348 -2.721 1.00 0.00 C ATOM 0 H ILE A 61 -9.349 5.750 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.591 3.750 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.086 3.771 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.150 4.510 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.891 5.636 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.490 1.941 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.164 1.527 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.015 2.038 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.609 5.054 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.803 4.474 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.051 3.331 -2.845 1.00 0.00 H new ATOM 976 N GLN A 62 -10.759 2.547 -5.102 1.00 0.00 N ATOM 977 CA GLN A 62 -11.963 1.758 -4.889 1.00 0.00 C ATOM 978 C GLN A 62 -11.567 0.460 -4.178 1.00 0.00 C ATOM 979 O GLN A 62 -10.380 0.122 -4.047 1.00 0.00 O ATOM 980 CB GLN A 62 -12.677 1.456 -6.223 1.00 0.00 C ATOM 981 CG GLN A 62 -13.262 2.697 -6.920 1.00 0.00 C ATOM 982 CD GLN A 62 -12.171 3.597 -7.488 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.475 3.233 -8.428 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.949 4.749 -6.886 1.00 0.00 N ATOM 0 H GLN A 62 -10.401 2.513 -6.056 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.664 2.322 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.971 0.972 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.481 0.744 -6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.928 2.382 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.865 3.262 -6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.538 5.038 -6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.189 5.351 -7.202 1.00 0.00 H new ATOM 993 N LYS A 63 -12.562 -0.258 -3.668 1.00 0.00 N ATOM 994 CA LYS A 63 -12.366 -1.532 -2.988 1.00 0.00 C ATOM 995 C LYS A 63 -11.881 -2.578 -3.999 1.00 0.00 C ATOM 996 O LYS A 63 -11.950 -2.366 -5.213 1.00 0.00 O ATOM 997 CB LYS A 63 -13.689 -1.959 -2.323 1.00 0.00 C ATOM 998 CG LYS A 63 -14.760 -2.337 -3.360 1.00 0.00 C ATOM 999 CD LYS A 63 -16.121 -2.652 -2.744 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.036 -3.161 -3.861 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.419 -3.388 -3.413 1.00 0.00 N ATOM 0 H LYS A 63 -13.539 0.032 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.608 -1.437 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.506 -2.808 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.060 -1.146 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.872 -1.517 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.417 -3.203 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.021 -3.403 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.545 -1.762 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.038 -2.440 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.631 -4.092 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.991 -3.731 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.425 -4.097 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.820 -2.496 -3.059 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.419 -3.714 -3.486 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.932 -4.871 -4.236 1.00 0.00 C ATOM 1017 C GLU A 64 -9.860 -4.527 -5.283 1.00 0.00 C ATOM 1018 O GLU A 64 -9.694 -5.257 -6.266 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.143 -5.619 -4.830 1.00 0.00 C ATOM 1020 CG GLU A 64 -13.107 -6.113 -3.746 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.373 -6.696 -4.363 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -15.344 -5.927 -4.567 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.426 -7.932 -4.554 1.00 0.00 O ATOM 0 H GLU A 64 -11.371 -3.862 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.407 -5.532 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.676 -4.959 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.792 -6.468 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.615 -6.869 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.368 -5.288 -3.083 1.00 0.00 H new ATOM 1030 N SER A 65 -9.139 -3.418 -5.081 1.00 0.00 N ATOM 1031 CA SER A 65 -8.082 -2.942 -5.960 1.00 0.00 C ATOM 1032 C SER A 65 -6.918 -3.949 -6.017 1.00 0.00 C ATOM 1033 O SER A 65 -6.919 -4.964 -5.311 1.00 0.00 O ATOM 1034 CB SER A 65 -7.706 -1.496 -5.592 1.00 0.00 C ATOM 1035 OG SER A 65 -8.013 -1.158 -4.254 1.00 0.00 O ATOM 0 H SER A 65 -9.285 -2.813 -4.273 1.00 0.00 H new ATOM 0 HA SER A 65 -8.432 -2.889 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.638 -1.353 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.228 -0.812 -6.261 1.00 0.00 H new ATOM 0 HG SER A 65 -8.770 -0.535 -4.239 1.00 0.00 H new ATOM 1041 N THR A 66 -5.916 -3.708 -6.870 1.00 0.00 N ATOM 1042 CA THR A 66 -4.798 -4.631 -7.026 1.00 0.00 C ATOM 1043 C THR A 66 -3.564 -3.768 -7.037 1.00 0.00 C ATOM 1044 O THR A 66 -3.206 -3.192 -8.062 1.00 0.00 O ATOM 1045 CB THR A 66 -4.979 -5.482 -8.294 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.277 -6.051 -8.299 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.953 -6.606 -8.434 1.00 0.00 C ATOM 0 H THR A 66 -5.861 -2.879 -7.461 1.00 0.00 H new ATOM 0 HA THR A 66 -4.726 -5.359 -6.218 1.00 0.00 H new ATOM 0 HB THR A 66 -4.832 -4.807 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.394 -6.592 -9.108 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.145 -7.162 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.950 -6.181 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.031 -7.278 -7.580 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.000 -3.592 -5.852 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.822 -2.794 -5.614 1.00 0.00 C ATOM 1057 C LEU A 67 -0.575 -3.620 -5.947 1.00 0.00 C ATOM 1058 O LEU A 67 -0.655 -4.850 -5.940 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.864 -2.304 -4.155 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.896 -1.178 -3.926 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.358 -1.646 -3.905 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.629 -0.449 -2.609 1.00 0.00 C ATOM 0 H LEU A 67 -3.369 -4.020 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.788 -1.914 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.100 -3.144 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.875 -1.946 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.767 -0.520 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.012 -0.790 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.605 -2.111 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.497 -2.370 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.370 0.339 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.694 -1.156 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.632 -0.009 -2.632 1.00 0.00 H new ATOM 1074 N HIS A 68 0.561 -2.977 -6.221 1.00 0.00 N ATOM 1075 CA HIS A 68 1.836 -3.610 -6.575 1.00 0.00 C ATOM 1076 C HIS A 68 2.950 -3.060 -5.700 1.00 0.00 C ATOM 1077 O HIS A 68 3.108 -1.841 -5.600 1.00 0.00 O ATOM 1078 CB HIS A 68 2.184 -3.332 -8.051 1.00 0.00 C ATOM 1079 CG HIS A 68 1.906 -4.469 -9.001 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.614 -4.716 -10.159 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.895 -5.387 -8.915 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.056 -5.800 -10.733 1.00 0.00 C ATOM 1083 NE2 HIS A 68 1.001 -6.226 -10.020 1.00 0.00 N ATOM 0 H HIS A 68 0.622 -1.959 -6.202 1.00 0.00 H new ATOM 0 HA HIS A 68 1.737 -4.684 -6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.623 -2.458 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.241 -3.075 -8.116 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.152 -5.449 -8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.409 -6.263 -11.643 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.394 -7.014 -10.245 1.00 0.00 H new ATOM 1090 N LEU A 69 3.647 -3.916 -4.957 1.00 0.00 N ATOM 1091 CA LEU A 69 4.752 -3.473 -4.118 1.00 0.00 C ATOM 1092 C LEU A 69 5.979 -3.362 -5.008 1.00 0.00 C ATOM 1093 O LEU A 69 6.197 -4.198 -5.884 1.00 0.00 O ATOM 1094 CB LEU A 69 5.036 -4.455 -2.972 1.00 0.00 C ATOM 1095 CG LEU A 69 4.113 -4.286 -1.757 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.384 -5.377 -0.720 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.318 -2.930 -1.072 1.00 0.00 C ATOM 0 H LEU A 69 3.465 -4.919 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 69 4.496 -2.517 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.940 -5.473 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.070 -4.331 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 69 3.091 -4.354 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.720 -5.240 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.205 -6.355 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.420 -5.314 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.647 -2.849 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.350 -2.846 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.103 -2.129 -1.779 1.00 0.00 H new ATOM 1109 N VAL A 70 6.754 -2.313 -4.789 1.00 0.00 N ATOM 1110 CA VAL A 70 7.991 -1.982 -5.482 1.00 0.00 C ATOM 1111 C VAL A 70 8.937 -1.417 -4.417 1.00 0.00 C ATOM 1112 O VAL A 70 8.551 -1.312 -3.245 1.00 0.00 O ATOM 1113 CB VAL A 70 7.723 -1.013 -6.659 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.054 -1.728 -7.845 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.854 0.185 -6.253 1.00 0.00 C ATOM 0 H VAL A 70 6.521 -1.623 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 70 8.451 -2.853 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 70 8.704 -0.645 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.883 -1.014 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.703 -2.528 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.101 -2.150 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.698 0.831 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.891 -0.171 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.355 0.747 -5.465 1.00 0.00 H new ATOM 1125 N LEU A 71 10.174 -1.068 -4.769 1.00 0.00 N ATOM 1126 CA LEU A 71 11.135 -0.516 -3.818 1.00 0.00 C ATOM 1127 C LEU A 71 11.797 0.739 -4.364 1.00 0.00 C ATOM 1128 O LEU A 71 11.757 1.025 -5.564 1.00 0.00 O ATOM 1129 CB LEU A 71 12.153 -1.590 -3.376 1.00 0.00 C ATOM 1130 CG LEU A 71 12.996 -2.266 -4.482 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.191 -1.441 -4.968 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.586 -3.572 -3.948 1.00 0.00 C ATOM 0 H LEU A 71 10.536 -1.160 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 71 10.595 -0.209 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.838 -1.132 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.610 -2.370 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 71 12.305 -2.402 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.723 -1.993 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.838 -0.494 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.864 -1.248 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.180 -4.048 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.220 -3.360 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.779 -4.240 -3.648 1.00 0.00 H new ATOM 1144 N ARG A 72 12.343 1.526 -3.440 1.00 0.00 N ATOM 1145 CA ARG A 72 13.078 2.753 -3.614 1.00 0.00 C ATOM 1146 C ARG A 72 13.716 3.026 -2.260 1.00 0.00 C ATOM 1147 O ARG A 72 13.129 2.675 -1.230 1.00 0.00 O ATOM 1148 CB ARG A 72 12.212 3.904 -4.084 1.00 0.00 C ATOM 1149 CG ARG A 72 13.095 4.757 -4.999 1.00 0.00 C ATOM 1150 CD ARG A 72 12.289 5.984 -5.344 1.00 0.00 C ATOM 1151 NE ARG A 72 13.002 6.883 -6.268 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.370 8.143 -5.999 1.00 0.00 C ATOM 1153 NH1 ARG A 72 13.187 8.659 -4.790 1.00 0.00 N ATOM 1154 NH2 ARG A 72 13.932 8.901 -6.932 1.00 0.00 N ATOM 0 H ARG A 72 12.267 1.285 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 72 13.824 2.654 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.336 3.538 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.849 4.488 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.024 5.030 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.368 4.206 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.344 5.680 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.047 6.525 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 72 13.235 6.515 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.762 8.095 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.471 9.619 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.089 8.526 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.207 9.859 -6.714 1.00 0.00 H new ATOM 1168 N LEU A 73 14.843 3.724 -2.245 1.00 0.00 N ATOM 1169 CA LEU A 73 15.604 3.995 -1.027 1.00 0.00 C ATOM 1170 C LEU A 73 15.753 5.483 -0.734 1.00 0.00 C ATOM 1171 O LEU A 73 15.200 6.322 -1.448 1.00 0.00 O ATOM 1172 CB LEU A 73 16.965 3.287 -1.195 1.00 0.00 C ATOM 1173 CG LEU A 73 17.320 2.296 -0.073 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.580 1.519 -0.463 1.00 0.00 C ATOM 1175 CD2 LEU A 73 17.590 3.015 1.248 1.00 0.00 C ATOM 0 H LEU A 73 15.261 4.123 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 73 15.072 3.610 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.966 2.753 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.747 4.044 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 73 16.471 1.626 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.834 0.816 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.398 0.972 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.406 2.215 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.837 2.283 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.424 3.705 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.701 3.570 1.548 1.00 0.00 H new ATOM 1187 N ARG A 74 16.433 5.799 0.371 1.00 0.00 N ATOM 1188 CA ARG A 74 16.709 7.157 0.831 1.00 0.00 C ATOM 1189 C ARG A 74 17.815 7.768 -0.034 1.00 0.00 C ATOM 1190 O ARG A 74 18.302 7.124 -0.962 1.00 0.00 O ATOM 1191 CB ARG A 74 17.048 7.136 2.337 1.00 0.00 C ATOM 1192 CG ARG A 74 18.478 6.659 2.648 1.00 0.00 C ATOM 1193 CD ARG A 74 18.706 6.468 4.145 1.00 0.00 C ATOM 1194 NE ARG A 74 20.028 5.875 4.390 1.00 0.00 N ATOM 1195 CZ ARG A 74 20.381 5.168 5.465 1.00 0.00 C ATOM 1196 NH1 ARG A 74 19.577 5.097 6.522 1.00 0.00 N ATOM 1197 NH2 ARG A 74 21.548 4.536 5.490 1.00 0.00 N ATOM 0 H ARG A 74 16.820 5.087 0.991 1.00 0.00 H new ATOM 0 HA ARG A 74 15.831 7.793 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 74 16.913 8.138 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.339 6.486 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.667 5.719 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.194 7.385 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.630 7.428 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 74 17.929 5.825 4.558 1.00 0.00 H new ATOM 0 HE ARG A 74 20.740 6.017 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.682 5.586 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.856 4.554 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.175 4.591 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.818 3.996 6.312 1.00 0.00 H new ATOM 1211 N GLY A 75 18.248 8.991 0.262 1.00 0.00 N ATOM 1212 CA GLY A 75 19.293 9.684 -0.487 1.00 0.00 C ATOM 1213 C GLY A 75 20.716 9.226 -0.154 1.00 0.00 C ATOM 1214 O GLY A 75 21.637 10.039 -0.222 1.00 0.00 O ATOM 0 H GLY A 75 17.877 9.536 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.117 9.539 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.214 10.754 -0.294 1.00 0.00 H new ATOM 1218 N GLY A 76 20.914 7.974 0.254 1.00 0.00 N ATOM 1219 CA GLY A 76 22.202 7.410 0.612 1.00 0.00 C ATOM 1220 C GLY A 76 21.958 5.999 1.063 1.00 0.00 C ATOM 1221 O GLY A 76 21.908 5.774 2.286 1.00 0.00 O ATOM 0 H GLY A 76 20.150 7.305 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.881 7.430 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 76 22.670 7.992 1.406 1.00 0.00 H new TER 1225 GLY A 76