USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 180:sc= -0.0666 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.2 K(o=-0.27,f=-5.5!) USER MOD Set 2.1: A 7 THR OG1 : rot 138:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -1.75! (180deg=-1.99!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.112) USER MOD Single : A 40 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.31 K(o=-3.3,f=-9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -98:sc= -2.86! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -13:sc= -0.388 USER MOD Single : A 60 ASN : amide:sc= -3.73! C(o=-3.7!,f=-4.8!) USER MOD Single : A 62 GLN : amide:sc= -1.93! K(o=-1.9!,f=0.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.0998 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.671 -20.882 -2.182 1.00 0.00 N ATOM 2 CA MET A 1 3.477 -19.843 -3.226 1.00 0.00 C ATOM 3 C MET A 1 4.041 -18.498 -2.778 1.00 0.00 C ATOM 4 O MET A 1 3.587 -17.923 -1.789 1.00 0.00 O ATOM 5 CB MET A 1 1.979 -19.718 -3.515 1.00 0.00 C ATOM 6 CG MET A 1 1.615 -18.494 -4.338 1.00 0.00 C ATOM 7 SD MET A 1 0.207 -17.595 -3.658 1.00 0.00 S ATOM 8 CE MET A 1 -0.934 -17.659 -5.037 1.00 0.00 C ATOM 0 H1 MET A 1 3.278 -21.786 -2.514 1.00 0.00 H new ATOM 0 H2 MET A 1 4.687 -20.996 -1.990 1.00 0.00 H new ATOM 0 H3 MET A 1 3.184 -20.593 -1.310 1.00 0.00 H new ATOM 0 HA MET A 1 4.012 -20.138 -4.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.644 -20.612 -4.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.437 -19.683 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.476 -17.827 -4.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.387 -18.802 -5.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.857 -17.143 -4.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.485 -17.174 -5.904 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.156 -18.699 -5.278 1.00 0.00 H new ATOM 20 N GLN A 2 5.031 -18.004 -3.513 1.00 0.00 N ATOM 21 CA GLN A 2 5.657 -16.726 -3.193 1.00 0.00 C ATOM 22 C GLN A 2 5.344 -15.686 -4.266 1.00 0.00 C ATOM 23 O GLN A 2 5.143 -16.024 -5.432 1.00 0.00 O ATOM 24 CB GLN A 2 7.171 -16.894 -3.055 1.00 0.00 C ATOM 25 CG GLN A 2 7.574 -18.043 -2.146 1.00 0.00 C ATOM 26 CD GLN A 2 9.053 -18.365 -2.236 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.453 -19.325 -2.894 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.875 -17.560 -1.572 1.00 0.00 N ATOM 0 H GLN A 2 5.418 -18.469 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 2 5.251 -16.378 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.602 -17.055 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.597 -15.968 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.322 -17.792 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.996 -18.929 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.500 -16.775 -1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.881 -17.726 -1.595 1.00 0.00 H new ATOM 37 N LEU A 3 5.302 -14.420 -3.862 1.00 0.00 N ATOM 38 CA LEU A 3 5.013 -13.333 -4.789 1.00 0.00 C ATOM 39 C LEU A 3 6.027 -12.204 -4.643 1.00 0.00 C ATOM 40 O LEU A 3 6.764 -12.140 -3.659 1.00 0.00 O ATOM 41 CB LEU A 3 3.599 -12.797 -4.553 1.00 0.00 C ATOM 42 CG LEU A 3 2.491 -13.852 -4.604 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.233 -13.338 -3.922 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.198 -14.243 -6.044 1.00 0.00 C ATOM 0 H LEU A 3 5.464 -14.123 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 3 5.082 -13.728 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.570 -12.308 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.387 -12.032 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 3 2.832 -14.738 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.456 -14.101 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.453 -13.106 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.887 -12.437 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.408 -14.994 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.876 -13.363 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.099 -14.652 -6.500 1.00 0.00 H new ATOM 56 N PHE A 4 6.058 -11.314 -5.630 1.00 0.00 N ATOM 57 CA PHE A 4 6.980 -10.185 -5.614 1.00 0.00 C ATOM 58 C PHE A 4 6.226 -8.871 -5.433 1.00 0.00 C ATOM 59 O PHE A 4 5.159 -8.671 -6.013 1.00 0.00 O ATOM 60 CB PHE A 4 7.793 -10.145 -6.910 1.00 0.00 C ATOM 61 CG PHE A 4 8.334 -11.484 -7.320 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.640 -12.446 -6.363 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.537 -11.785 -8.663 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.140 -13.684 -6.739 1.00 0.00 C ATOM 65 CE2 PHE A 4 9.036 -13.021 -9.044 1.00 0.00 C ATOM 66 CZ PHE A 4 9.338 -13.972 -8.081 1.00 0.00 C ATOM 0 H PHE A 4 5.454 -11.353 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 4 7.659 -10.314 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.165 -9.755 -7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.623 -9.449 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.487 -12.227 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.303 -11.048 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.375 -14.423 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.189 -13.243 -10.090 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.727 -14.936 -8.376 1.00 0.00 H new ATOM 76 N VAL A 5 6.786 -7.979 -4.622 1.00 0.00 N ATOM 77 CA VAL A 5 6.164 -6.686 -4.364 1.00 0.00 C ATOM 78 C VAL A 5 7.183 -5.557 -4.456 1.00 0.00 C ATOM 79 O VAL A 5 8.155 -5.520 -3.701 1.00 0.00 O ATOM 80 CB VAL A 5 5.500 -6.651 -2.976 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.372 -5.631 -2.949 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.990 -8.031 -2.592 1.00 0.00 C ATOM 0 H VAL A 5 7.669 -8.128 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 5 5.400 -6.544 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 5 6.249 -6.350 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.915 -5.621 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.770 -4.642 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.622 -5.899 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.524 -7.986 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.256 -8.365 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.824 -8.733 -2.567 1.00 0.00 H new ATOM 92 N LYS A 6 6.955 -4.636 -5.387 1.00 0.00 N ATOM 93 CA LYS A 6 7.852 -3.503 -5.578 1.00 0.00 C ATOM 94 C LYS A 6 7.147 -2.190 -5.256 1.00 0.00 C ATOM 95 O LYS A 6 5.950 -2.040 -5.504 1.00 0.00 O ATOM 96 CB LYS A 6 8.371 -3.476 -7.016 1.00 0.00 C ATOM 97 CG LYS A 6 7.311 -3.098 -8.038 1.00 0.00 C ATOM 98 CD LYS A 6 7.919 -2.869 -9.411 1.00 0.00 C ATOM 99 CE LYS A 6 8.840 -1.660 -9.418 1.00 0.00 C ATOM 100 NZ LYS A 6 8.188 -0.469 -10.030 1.00 0.00 N ATOM 0 H LYS A 6 6.156 -4.653 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 6 8.694 -3.619 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.197 -2.768 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.772 -4.458 -7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.563 -3.888 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.795 -2.195 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.477 -3.755 -9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.124 -2.726 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.139 -1.425 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.749 -1.899 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.849 0.334 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.925 -0.684 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.334 -0.224 -9.489 1.00 0.00 H new ATOM 114 N THR A 7 7.894 -1.243 -4.702 1.00 0.00 N ATOM 115 CA THR A 7 7.341 0.059 -4.347 1.00 0.00 C ATOM 116 C THR A 7 7.602 1.080 -5.449 1.00 0.00 C ATOM 117 O THR A 7 8.241 0.772 -6.455 1.00 0.00 O ATOM 118 CB THR A 7 7.940 0.548 -3.028 1.00 0.00 C ATOM 119 OG1 THR A 7 9.337 0.740 -3.153 1.00 0.00 O ATOM 120 CG2 THR A 7 7.710 -0.406 -1.875 1.00 0.00 C ATOM 0 H THR A 7 8.885 -1.352 -4.488 1.00 0.00 H new ATOM 0 HA THR A 7 6.263 -0.052 -4.229 1.00 0.00 H new ATOM 0 HB THR A 7 7.430 1.486 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.595 1.570 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.160 0.002 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.639 -0.538 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.165 -1.370 -2.104 1.00 0.00 H new ATOM 128 N LEU A 8 7.103 2.296 -5.254 1.00 0.00 N ATOM 129 CA LEU A 8 7.284 3.362 -6.233 1.00 0.00 C ATOM 130 C LEU A 8 8.742 3.807 -6.288 1.00 0.00 C ATOM 131 O LEU A 8 9.152 4.510 -7.212 1.00 0.00 O ATOM 132 CB LEU A 8 6.387 4.553 -5.892 1.00 0.00 C ATOM 133 CG LEU A 8 5.462 5.011 -7.021 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.766 6.309 -6.645 1.00 0.00 C ATOM 135 CD2 LEU A 8 6.243 5.177 -8.316 1.00 0.00 C ATOM 0 H LEU A 8 6.570 2.568 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 8 7.004 2.974 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.778 4.293 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.018 5.391 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 8 4.701 4.246 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.112 6.620 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.174 6.156 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.512 7.082 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.569 5.503 -9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.026 5.922 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.695 4.224 -8.593 1.00 0.00 H new ATOM 147 N THR A 9 9.520 3.393 -5.294 1.00 0.00 N ATOM 148 CA THR A 9 10.933 3.748 -5.229 1.00 0.00 C ATOM 149 C THR A 9 11.789 2.707 -5.942 1.00 0.00 C ATOM 150 O THR A 9 12.943 2.967 -6.284 1.00 0.00 O ATOM 151 CB THR A 9 11.380 3.878 -3.772 1.00 0.00 C ATOM 152 OG1 THR A 9 10.674 2.968 -2.949 1.00 0.00 O ATOM 153 CG2 THR A 9 11.176 5.265 -3.203 1.00 0.00 C ATOM 0 H THR A 9 9.196 2.811 -4.522 1.00 0.00 H new ATOM 0 HA THR A 9 11.064 4.707 -5.731 1.00 0.00 H new ATOM 0 HB THR A 9 12.448 3.660 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.975 3.065 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.514 5.287 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.749 5.986 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.118 5.523 -3.245 1.00 0.00 H new ATOM 161 N GLY A 10 11.217 1.528 -6.159 1.00 0.00 N ATOM 162 CA GLY A 10 11.943 0.464 -6.826 1.00 0.00 C ATOM 163 C GLY A 10 12.137 -0.746 -5.934 1.00 0.00 C ATOM 164 O GLY A 10 11.998 -1.885 -6.380 1.00 0.00 O ATOM 0 H GLY A 10 10.264 1.290 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.403 0.167 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.916 0.836 -7.146 1.00 0.00 H new ATOM 168 N LYS A 11 12.454 -0.496 -4.668 1.00 0.00 N ATOM 169 CA LYS A 11 12.665 -1.570 -3.706 1.00 0.00 C ATOM 170 C LYS A 11 11.698 -2.722 -3.961 1.00 0.00 C ATOM 171 O LYS A 11 10.500 -2.510 -4.147 1.00 0.00 O ATOM 172 CB LYS A 11 12.486 -1.046 -2.280 1.00 0.00 C ATOM 173 CG LYS A 11 13.257 -1.836 -1.237 1.00 0.00 C ATOM 174 CD LYS A 11 13.321 -1.096 0.090 1.00 0.00 C ATOM 175 CE LYS A 11 12.424 -1.743 1.133 1.00 0.00 C ATOM 176 NZ LYS A 11 11.088 -1.089 1.200 1.00 0.00 N ATOM 0 H LYS A 11 12.570 0.442 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 11 13.684 -1.939 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.805 -0.004 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.426 -1.064 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.783 -2.806 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.268 -2.026 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.349 -1.083 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.021 -0.058 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.299 -2.800 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.905 -1.687 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.507 -1.560 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.205 -0.086 1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.618 -1.164 0.275 1.00 0.00 H new ATOM 190 N THR A 12 12.227 -3.942 -3.974 1.00 0.00 N ATOM 191 CA THR A 12 11.409 -5.126 -4.209 1.00 0.00 C ATOM 192 C THR A 12 11.665 -6.187 -3.144 1.00 0.00 C ATOM 193 O THR A 12 12.791 -6.353 -2.677 1.00 0.00 O ATOM 194 CB THR A 12 11.695 -5.700 -5.597 1.00 0.00 C ATOM 195 OG1 THR A 12 11.594 -4.692 -6.587 1.00 0.00 O ATOM 196 CG2 THR A 12 10.756 -6.822 -5.987 1.00 0.00 C ATOM 0 H THR A 12 13.217 -4.136 -3.825 1.00 0.00 H new ATOM 0 HA THR A 12 10.362 -4.830 -4.154 1.00 0.00 H new ATOM 0 HB THR A 12 12.708 -6.099 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.782 -5.078 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.014 -7.183 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.846 -7.638 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.730 -6.454 -5.990 1.00 0.00 H new ATOM 204 N LEU A 13 10.611 -6.902 -2.764 1.00 0.00 N ATOM 205 CA LEU A 13 10.720 -7.948 -1.753 1.00 0.00 C ATOM 206 C LEU A 13 9.936 -9.189 -2.167 1.00 0.00 C ATOM 207 O LEU A 13 9.095 -9.133 -3.064 1.00 0.00 O ATOM 208 CB LEU A 13 10.210 -7.437 -0.404 1.00 0.00 C ATOM 209 CG LEU A 13 8.686 -7.396 -0.262 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.209 -8.491 0.680 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.233 -6.031 0.231 1.00 0.00 C ATOM 0 H LEU A 13 9.672 -6.776 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 13 11.772 -8.219 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.616 -8.070 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.602 -6.433 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 13 8.244 -7.570 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.124 -8.447 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.501 -9.464 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.660 -8.348 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.147 -6.020 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.684 -5.827 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.542 -5.266 -0.481 1.00 0.00 H new ATOM 223 N THR A 14 10.218 -10.308 -1.508 1.00 0.00 N ATOM 224 CA THR A 14 9.538 -11.563 -1.807 1.00 0.00 C ATOM 225 C THR A 14 8.864 -12.125 -0.561 1.00 0.00 C ATOM 226 O THR A 14 9.493 -12.262 0.489 1.00 0.00 O ATOM 227 CB THR A 14 10.528 -12.584 -2.370 1.00 0.00 C ATOM 228 OG1 THR A 14 11.382 -11.981 -3.325 1.00 0.00 O ATOM 229 CG2 THR A 14 9.854 -13.765 -3.034 1.00 0.00 C ATOM 0 H THR A 14 10.912 -10.371 -0.764 1.00 0.00 H new ATOM 0 HA THR A 14 8.771 -11.362 -2.555 1.00 0.00 H new ATOM 0 HB THR A 14 11.093 -12.945 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.009 -12.650 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.612 -14.451 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.226 -14.281 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.237 -13.414 -3.862 1.00 0.00 H new ATOM 237 N VAL A 15 7.581 -12.450 -0.683 1.00 0.00 N ATOM 238 CA VAL A 15 6.822 -12.997 0.434 1.00 0.00 C ATOM 239 C VAL A 15 6.234 -14.360 0.087 1.00 0.00 C ATOM 240 O VAL A 15 6.158 -14.734 -1.083 1.00 0.00 O ATOM 241 CB VAL A 15 5.681 -12.052 0.855 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.185 -11.015 1.847 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.068 -11.381 -0.364 1.00 0.00 C ATOM 0 H VAL A 15 7.046 -12.344 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 15 7.520 -13.106 1.264 1.00 0.00 H new ATOM 0 HB VAL A 15 4.906 -12.642 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.365 -10.356 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.573 -11.517 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.979 -10.427 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.264 -10.717 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.832 -10.803 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.668 -12.141 -1.035 1.00 0.00 H new ATOM 253 N GLU A 16 5.819 -15.097 1.111 1.00 0.00 N ATOM 254 CA GLU A 16 5.238 -16.419 0.914 1.00 0.00 C ATOM 255 C GLU A 16 3.847 -16.499 1.532 1.00 0.00 C ATOM 256 O GLU A 16 3.691 -16.426 2.750 1.00 0.00 O ATOM 257 CB GLU A 16 6.141 -17.493 1.523 1.00 0.00 C ATOM 258 CG GLU A 16 6.505 -17.230 2.975 1.00 0.00 C ATOM 259 CD GLU A 16 6.366 -18.464 3.844 1.00 0.00 C ATOM 260 OE1 GLU A 16 5.320 -19.141 3.751 1.00 0.00 O ATOM 261 OE2 GLU A 16 7.303 -18.754 4.617 1.00 0.00 O ATOM 0 H GLU A 16 5.874 -14.801 2.086 1.00 0.00 H new ATOM 0 HA GLU A 16 5.151 -16.593 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.641 -18.459 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.056 -17.563 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.531 -16.867 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.866 -16.439 3.368 1.00 0.00 H new ATOM 268 N LEU A 17 2.837 -16.651 0.681 1.00 0.00 N ATOM 269 CA LEU A 17 1.457 -16.744 1.139 1.00 0.00 C ATOM 270 C LEU A 17 0.679 -17.758 0.307 1.00 0.00 C ATOM 271 O LEU A 17 1.197 -18.306 -0.665 1.00 0.00 O ATOM 272 CB LEU A 17 0.778 -15.375 1.067 1.00 0.00 C ATOM 273 CG LEU A 17 1.048 -14.454 2.259 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.889 -12.997 1.854 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.121 -14.794 3.416 1.00 0.00 C ATOM 0 H LEU A 17 2.950 -16.712 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 17 1.465 -17.080 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.105 -14.872 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.298 -15.524 0.979 1.00 0.00 H new ATOM 0 HG LEU A 17 2.076 -14.607 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.085 -12.357 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.595 -12.761 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.127 -12.827 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.327 -14.129 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.915 -14.670 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.286 -15.827 3.723 1.00 0.00 H new ATOM 287 N GLU A 18 -0.568 -18.005 0.696 1.00 0.00 N ATOM 288 CA GLU A 18 -1.416 -18.956 -0.015 1.00 0.00 C ATOM 289 C GLU A 18 -2.499 -18.235 -0.810 1.00 0.00 C ATOM 290 O GLU A 18 -2.847 -17.093 -0.512 1.00 0.00 O ATOM 291 CB GLU A 18 -2.055 -19.932 0.975 1.00 0.00 C ATOM 292 CG GLU A 18 -1.089 -20.447 2.028 1.00 0.00 C ATOM 293 CD GLU A 18 -0.501 -21.797 1.667 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.257 -22.793 1.665 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.714 -21.860 1.385 1.00 0.00 O ATOM 0 H GLU A 18 -1.013 -17.560 1.499 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.792 -19.512 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.891 -19.439 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.465 -20.779 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.282 -19.726 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.606 -20.524 2.984 1.00 0.00 H new ATOM 302 N PRO A 19 -3.050 -18.900 -1.838 1.00 0.00 N ATOM 303 CA PRO A 19 -4.101 -18.325 -2.683 1.00 0.00 C ATOM 304 C PRO A 19 -5.391 -18.073 -1.909 1.00 0.00 C ATOM 305 O PRO A 19 -6.281 -17.365 -2.378 1.00 0.00 O ATOM 306 CB PRO A 19 -4.323 -19.391 -3.760 1.00 0.00 C ATOM 307 CG PRO A 19 -3.829 -20.658 -3.153 1.00 0.00 C ATOM 308 CD PRO A 19 -2.691 -20.267 -2.255 1.00 0.00 C ATOM 0 HA PRO A 19 -3.813 -17.353 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.376 -19.467 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.777 -19.151 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.619 -21.155 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.498 -21.356 -3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.602 -20.939 -1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.736 -20.291 -2.780 1.00 0.00 H new ATOM 316 N SER A 20 -5.482 -18.659 -0.719 1.00 0.00 N ATOM 317 CA SER A 20 -6.662 -18.501 0.123 1.00 0.00 C ATOM 318 C SER A 20 -6.557 -17.243 0.980 1.00 0.00 C ATOM 319 O SER A 20 -7.568 -16.682 1.403 1.00 0.00 O ATOM 320 CB SER A 20 -6.840 -19.728 1.019 1.00 0.00 C ATOM 321 OG SER A 20 -5.698 -19.939 1.829 1.00 0.00 O ATOM 0 H SER A 20 -4.753 -19.247 -0.316 1.00 0.00 H new ATOM 0 HA SER A 20 -7.531 -18.403 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.718 -19.596 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.020 -20.609 0.403 1.00 0.00 H new ATOM 0 HG SER A 20 -5.838 -20.728 2.393 1.00 0.00 H new ATOM 327 N ASP A 21 -5.328 -16.805 1.231 1.00 0.00 N ATOM 328 CA ASP A 21 -5.090 -15.614 2.037 1.00 0.00 C ATOM 329 C ASP A 21 -5.933 -14.443 1.543 1.00 0.00 C ATOM 330 O ASP A 21 -6.493 -14.487 0.448 1.00 0.00 O ATOM 331 CB ASP A 21 -3.607 -15.239 2.004 1.00 0.00 C ATOM 332 CG ASP A 21 -2.808 -15.949 3.079 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.830 -15.486 4.239 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.161 -16.969 2.761 1.00 0.00 O ATOM 0 H ASP A 21 -4.481 -17.258 0.887 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.379 -15.838 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.194 -15.485 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.504 -14.161 2.131 1.00 0.00 H new ATOM 339 N THR A 22 -6.020 -13.399 2.359 1.00 0.00 N ATOM 340 CA THR A 22 -6.795 -12.215 2.008 1.00 0.00 C ATOM 341 C THR A 22 -5.899 -10.983 1.929 1.00 0.00 C ATOM 342 O THR A 22 -4.791 -10.972 2.468 1.00 0.00 O ATOM 343 CB THR A 22 -7.906 -11.985 3.034 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.442 -12.254 4.345 1.00 0.00 O ATOM 345 CG2 THR A 22 -9.128 -12.845 2.795 1.00 0.00 C ATOM 0 H THR A 22 -5.563 -13.348 3.269 1.00 0.00 H new ATOM 0 HA THR A 22 -7.243 -12.381 1.028 1.00 0.00 H new ATOM 0 HB THR A 22 -8.190 -10.939 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.167 -12.100 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.877 -12.632 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.540 -12.626 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.848 -13.897 2.845 1.00 0.00 H new ATOM 353 N VAL A 23 -6.388 -9.945 1.257 1.00 0.00 N ATOM 354 CA VAL A 23 -5.632 -8.709 1.112 1.00 0.00 C ATOM 355 C VAL A 23 -5.136 -8.215 2.465 1.00 0.00 C ATOM 356 O VAL A 23 -4.011 -7.730 2.587 1.00 0.00 O ATOM 357 CB VAL A 23 -6.478 -7.605 0.450 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.586 -6.494 -0.083 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.340 -8.185 -0.659 1.00 0.00 C ATOM 0 H VAL A 23 -7.303 -9.937 0.806 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.779 -8.930 0.471 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.138 -7.178 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.202 -5.724 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.018 -6.058 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.898 -6.903 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.930 -7.390 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.701 -8.642 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.008 -8.940 -0.244 1.00 0.00 H new ATOM 369 N GLU A 24 -5.983 -8.347 3.482 1.00 0.00 N ATOM 370 CA GLU A 24 -5.630 -7.920 4.831 1.00 0.00 C ATOM 371 C GLU A 24 -4.346 -8.602 5.288 1.00 0.00 C ATOM 372 O GLU A 24 -3.473 -7.971 5.884 1.00 0.00 O ATOM 373 CB GLU A 24 -6.766 -8.238 5.804 1.00 0.00 C ATOM 374 CG GLU A 24 -7.168 -7.061 6.679 1.00 0.00 C ATOM 375 CD GLU A 24 -6.953 -7.332 8.156 1.00 0.00 C ATOM 376 OE1 GLU A 24 -6.467 -8.433 8.493 1.00 0.00 O ATOM 377 OE2 GLU A 24 -7.271 -6.444 8.974 1.00 0.00 O ATOM 0 H GLU A 24 -6.918 -8.746 3.397 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.468 -6.842 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.635 -8.572 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.464 -9.068 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.592 -6.183 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.218 -6.826 6.506 1.00 0.00 H new ATOM 384 N ASN A 25 -4.239 -9.895 5.001 1.00 0.00 N ATOM 385 CA ASN A 25 -3.063 -10.668 5.377 1.00 0.00 C ATOM 386 C ASN A 25 -1.818 -10.126 4.683 1.00 0.00 C ATOM 387 O ASN A 25 -0.862 -9.710 5.338 1.00 0.00 O ATOM 388 CB ASN A 25 -3.262 -12.142 5.019 1.00 0.00 C ATOM 389 CG ASN A 25 -4.597 -12.678 5.498 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.154 -13.606 4.910 1.00 0.00 O ATOM 391 ND2 ASN A 25 -5.118 -12.096 6.572 1.00 0.00 N ATOM 0 H ASN A 25 -4.954 -10.430 4.508 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.925 -10.580 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.192 -12.263 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.458 -12.732 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.014 -12.415 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.622 -11.330 7.028 1.00 0.00 H new ATOM 398 N LEU A 26 -1.839 -10.128 3.354 1.00 0.00 N ATOM 399 CA LEU A 26 -0.711 -9.629 2.575 1.00 0.00 C ATOM 400 C LEU A 26 -0.265 -8.266 3.092 1.00 0.00 C ATOM 401 O LEU A 26 0.903 -8.066 3.424 1.00 0.00 O ATOM 402 CB LEU A 26 -1.084 -9.530 1.095 1.00 0.00 C ATOM 403 CG LEU A 26 -0.157 -8.652 0.251 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.218 -9.291 0.130 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.758 -8.412 -1.125 1.00 0.00 C ATOM 0 H LEU A 26 -2.622 -10.468 2.795 1.00 0.00 H new ATOM 0 HA LEU A 26 0.115 -10.332 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.094 -10.534 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.099 -9.140 1.017 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.045 -7.689 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.864 -8.653 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.652 -9.411 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.125 -10.267 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.086 -7.786 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.899 -9.367 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.720 -7.911 -1.019 1.00 0.00 H new ATOM 417 N LYS A 27 -1.209 -7.332 3.161 1.00 0.00 N ATOM 418 CA LYS A 27 -0.917 -5.988 3.643 1.00 0.00 C ATOM 419 C LYS A 27 -0.293 -6.042 5.033 1.00 0.00 C ATOM 420 O LYS A 27 0.754 -5.443 5.279 1.00 0.00 O ATOM 421 CB LYS A 27 -2.193 -5.146 3.677 1.00 0.00 C ATOM 422 CG LYS A 27 -2.904 -5.063 2.335 1.00 0.00 C ATOM 423 CD LYS A 27 -2.873 -3.651 1.774 1.00 0.00 C ATOM 424 CE LYS A 27 -4.009 -3.419 0.793 1.00 0.00 C ATOM 425 NZ LYS A 27 -3.912 -2.087 0.134 1.00 0.00 N ATOM 0 H LYS A 27 -2.181 -7.482 2.890 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.206 -5.526 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.876 -5.566 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.945 -4.138 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.432 -5.746 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.938 -5.387 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.943 -2.932 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.919 -3.477 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.998 -4.201 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.962 -3.496 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.780 -1.904 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.795 -1.349 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.094 -2.076 -0.508 1.00 0.00 H new ATOM 439 N ALA A 28 -0.941 -6.768 5.938 1.00 0.00 N ATOM 440 CA ALA A 28 -0.449 -6.905 7.301 1.00 0.00 C ATOM 441 C ALA A 28 1.061 -7.116 7.311 1.00 0.00 C ATOM 442 O ALA A 28 1.781 -6.487 8.086 1.00 0.00 O ATOM 443 CB ALA A 28 -1.151 -8.057 8.004 1.00 0.00 C ATOM 0 H ALA A 28 -1.809 -7.270 5.750 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.669 -5.983 7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.772 -8.147 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.224 -7.867 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.960 -8.984 7.463 1.00 0.00 H new ATOM 449 N LYS A 29 1.533 -8.000 6.439 1.00 0.00 N ATOM 450 CA LYS A 29 2.958 -8.291 6.341 1.00 0.00 C ATOM 451 C LYS A 29 3.721 -7.067 5.848 1.00 0.00 C ATOM 452 O LYS A 29 4.789 -6.738 6.364 1.00 0.00 O ATOM 453 CB LYS A 29 3.195 -9.470 5.396 1.00 0.00 C ATOM 454 CG LYS A 29 2.193 -10.600 5.569 1.00 0.00 C ATOM 455 CD LYS A 29 2.883 -11.951 5.653 1.00 0.00 C ATOM 456 CE LYS A 29 2.503 -12.692 6.924 1.00 0.00 C ATOM 457 NZ LYS A 29 3.662 -13.416 7.514 1.00 0.00 N ATOM 0 H LYS A 29 0.949 -8.527 5.790 1.00 0.00 H new ATOM 0 HA LYS A 29 3.324 -8.554 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.154 -9.114 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.200 -9.859 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.608 -10.433 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.494 -10.599 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.614 -12.553 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.964 -11.812 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.109 -11.984 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.705 -13.402 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.360 -13.908 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.023 -14.110 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.414 -12.736 7.747 1.00 0.00 H new ATOM 471 N ILE A 30 3.163 -6.393 4.848 1.00 0.00 N ATOM 472 CA ILE A 30 3.787 -5.203 4.285 1.00 0.00 C ATOM 473 C ILE A 30 3.904 -4.100 5.331 1.00 0.00 C ATOM 474 O ILE A 30 4.698 -3.170 5.182 1.00 0.00 O ATOM 475 CB ILE A 30 2.994 -4.671 3.078 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.998 -5.699 1.945 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.575 -3.347 2.602 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.645 -5.115 0.595 1.00 0.00 C ATOM 0 H ILE A 30 2.279 -6.652 4.411 1.00 0.00 H new ATOM 0 HA ILE A 30 4.784 -5.493 3.953 1.00 0.00 H new ATOM 0 HB ILE A 30 1.962 -4.501 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.985 -6.158 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.291 -6.493 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.003 -2.985 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.524 -2.616 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.615 -3.491 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.668 -5.902 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.646 -4.681 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.366 -4.341 0.334 1.00 0.00 H new ATOM 490 N GLN A 31 3.110 -4.210 6.390 1.00 0.00 N ATOM 491 CA GLN A 31 3.125 -3.223 7.462 1.00 0.00 C ATOM 492 C GLN A 31 4.162 -3.589 8.520 1.00 0.00 C ATOM 493 O GLN A 31 4.696 -2.719 9.207 1.00 0.00 O ATOM 494 CB GLN A 31 1.743 -3.114 8.107 1.00 0.00 C ATOM 495 CG GLN A 31 1.730 -2.283 9.380 1.00 0.00 C ATOM 496 CD GLN A 31 0.497 -2.529 10.226 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.274 -1.610 10.504 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.303 -3.777 10.641 1.00 0.00 N ATOM 0 H GLN A 31 2.448 -4.973 6.529 1.00 0.00 H new ATOM 0 HA GLN A 31 3.392 -2.259 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.050 -2.675 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.377 -4.115 8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.620 -2.511 9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.782 -1.226 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.968 -4.508 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.510 -4.004 11.213 1.00 0.00 H new ATOM 507 N ASP A 32 4.440 -4.881 8.646 1.00 0.00 N ATOM 508 CA ASP A 32 5.411 -5.362 9.621 1.00 0.00 C ATOM 509 C ASP A 32 6.810 -5.431 9.016 1.00 0.00 C ATOM 510 O ASP A 32 7.807 -5.248 9.714 1.00 0.00 O ATOM 511 CB ASP A 32 5.003 -6.736 10.142 1.00 0.00 C ATOM 512 CG ASP A 32 4.759 -6.738 11.638 1.00 0.00 C ATOM 513 OD1 ASP A 32 4.868 -5.659 12.259 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.462 -7.819 12.189 1.00 0.00 O ATOM 0 H ASP A 32 4.007 -5.614 8.085 1.00 0.00 H new ATOM 0 HA ASP A 32 5.430 -4.656 10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.098 -7.062 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.783 -7.459 9.903 1.00 0.00 H new ATOM 519 N LYS A 33 6.876 -5.702 7.716 1.00 0.00 N ATOM 520 CA LYS A 33 8.154 -5.804 7.020 1.00 0.00 C ATOM 521 C LYS A 33 8.580 -4.456 6.443 1.00 0.00 C ATOM 522 O LYS A 33 9.697 -3.995 6.680 1.00 0.00 O ATOM 523 CB LYS A 33 8.066 -6.842 5.900 1.00 0.00 C ATOM 524 CG LYS A 33 8.529 -8.228 6.317 1.00 0.00 C ATOM 525 CD LYS A 33 7.588 -9.307 5.806 1.00 0.00 C ATOM 526 CE LYS A 33 7.824 -10.632 6.511 1.00 0.00 C ATOM 527 NZ LYS A 33 9.245 -11.069 6.413 1.00 0.00 N ATOM 0 H LYS A 33 6.060 -5.855 7.124 1.00 0.00 H new ATOM 0 HA LYS A 33 8.904 -6.118 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.035 -6.902 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.668 -6.506 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.533 -8.408 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.589 -8.281 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.556 -8.992 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.728 -9.435 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.544 -10.540 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.179 -11.395 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.337 -12.035 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.546 -11.052 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.845 -10.425 6.967 1.00 0.00 H new ATOM 541 N GLU A 34 7.688 -3.832 5.682 1.00 0.00 N ATOM 542 CA GLU A 34 7.981 -2.541 5.068 1.00 0.00 C ATOM 543 C GLU A 34 7.580 -1.388 5.985 1.00 0.00 C ATOM 544 O GLU A 34 7.906 -0.231 5.718 1.00 0.00 O ATOM 545 CB GLU A 34 7.255 -2.415 3.727 1.00 0.00 C ATOM 546 CG GLU A 34 7.984 -3.094 2.577 1.00 0.00 C ATOM 547 CD GLU A 34 7.057 -3.914 1.701 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.316 -4.758 2.247 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.071 -3.711 0.469 1.00 0.00 O ATOM 0 H GLU A 34 6.758 -4.197 5.475 1.00 0.00 H new ATOM 0 HA GLU A 34 9.057 -2.487 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.258 -2.846 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.124 -1.359 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.478 -2.337 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.765 -3.740 2.978 1.00 0.00 H new ATOM 556 N GLY A 35 6.876 -1.708 7.065 1.00 0.00 N ATOM 557 CA GLY A 35 6.450 -0.684 7.999 1.00 0.00 C ATOM 558 C GLY A 35 5.399 0.239 7.413 1.00 0.00 C ATOM 559 O GLY A 35 5.231 1.368 7.873 1.00 0.00 O ATOM 0 H GLY A 35 6.593 -2.657 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.052 -1.158 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.314 -0.095 8.306 1.00 0.00 H new ATOM 563 N ILE A 36 4.692 -0.240 6.395 1.00 0.00 N ATOM 564 CA ILE A 36 3.655 0.554 5.747 1.00 0.00 C ATOM 565 C ILE A 36 2.267 -0.008 6.038 1.00 0.00 C ATOM 566 O ILE A 36 1.951 -1.137 5.663 1.00 0.00 O ATOM 567 CB ILE A 36 3.861 0.609 4.221 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.326 0.903 3.891 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.951 1.659 3.602 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.561 1.251 2.436 1.00 0.00 C ATOM 0 H ILE A 36 4.818 -1.173 6.002 1.00 0.00 H new ATOM 0 HA ILE A 36 3.730 1.562 6.155 1.00 0.00 H new ATOM 0 HB ILE A 36 3.602 -0.362 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.672 1.728 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.930 0.033 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.108 1.686 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.911 1.408 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.181 2.636 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.621 1.447 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.247 0.418 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.985 2.139 2.177 1.00 0.00 H new ATOM 582 N PRO A 37 1.417 0.780 6.715 1.00 0.00 N ATOM 583 CA PRO A 37 0.053 0.364 7.060 1.00 0.00 C ATOM 584 C PRO A 37 -0.795 0.087 5.823 1.00 0.00 C ATOM 585 O PRO A 37 -0.552 0.646 4.753 1.00 0.00 O ATOM 586 CB PRO A 37 -0.510 1.563 7.834 1.00 0.00 C ATOM 587 CG PRO A 37 0.683 2.347 8.263 1.00 0.00 C ATOM 588 CD PRO A 37 1.717 2.136 7.196 1.00 0.00 C ATOM 0 HA PRO A 37 0.046 -0.565 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.170 2.162 7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.096 1.237 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.439 3.404 8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.047 2.006 9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.633 2.875 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.729 2.209 7.594 1.00 0.00 H new ATOM 596 N PRO A 38 -1.805 -0.785 5.956 1.00 0.00 N ATOM 597 CA PRO A 38 -2.696 -1.141 4.847 1.00 0.00 C ATOM 598 C PRO A 38 -3.581 0.025 4.416 1.00 0.00 C ATOM 599 O PRO A 38 -3.975 0.120 3.254 1.00 0.00 O ATOM 600 CB PRO A 38 -3.549 -2.275 5.421 1.00 0.00 C ATOM 601 CG PRO A 38 -3.510 -2.072 6.896 1.00 0.00 C ATOM 602 CD PRO A 38 -2.157 -1.491 7.199 1.00 0.00 C ATOM 0 HA PRO A 38 -2.138 -1.421 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.570 -2.232 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.148 -3.250 5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.305 -1.399 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.657 -3.014 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.193 -0.812 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.431 -2.267 7.440 1.00 0.00 H new ATOM 610 N ASP A 39 -3.888 0.909 5.359 1.00 0.00 N ATOM 611 CA ASP A 39 -4.726 2.069 5.073 1.00 0.00 C ATOM 612 C ASP A 39 -4.058 2.983 4.053 1.00 0.00 C ATOM 613 O ASP A 39 -4.709 3.834 3.446 1.00 0.00 O ATOM 614 CB ASP A 39 -5.016 2.844 6.359 1.00 0.00 C ATOM 615 CG ASP A 39 -6.263 2.349 7.064 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.176 1.849 6.373 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.328 2.460 8.306 1.00 0.00 O ATOM 0 H ASP A 39 -3.570 0.845 6.326 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.667 1.713 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.163 2.758 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.131 3.902 6.124 1.00 0.00 H new ATOM 622 N GLN A 40 -2.755 2.801 3.867 1.00 0.00 N ATOM 623 CA GLN A 40 -1.997 3.609 2.919 1.00 0.00 C ATOM 624 C GLN A 40 -1.303 2.726 1.888 1.00 0.00 C ATOM 625 O GLN A 40 -0.324 3.134 1.264 1.00 0.00 O ATOM 626 CB GLN A 40 -0.963 4.463 3.657 1.00 0.00 C ATOM 627 CG GLN A 40 -1.471 5.030 4.974 1.00 0.00 C ATOM 628 CD GLN A 40 -0.555 6.094 5.543 1.00 0.00 C ATOM 629 OE1 GLN A 40 -0.999 6.999 6.250 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.733 5.992 5.238 1.00 0.00 N ATOM 0 H GLN A 40 -2.202 2.101 4.361 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.694 4.266 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.076 3.860 3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.656 5.286 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.464 5.453 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.575 4.221 5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.058 5.226 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.397 6.680 5.593 1.00 0.00 H new ATOM 639 N GLN A 41 -1.818 1.513 1.715 1.00 0.00 N ATOM 640 CA GLN A 41 -1.249 0.569 0.759 1.00 0.00 C ATOM 641 C GLN A 41 -2.068 0.535 -0.527 1.00 0.00 C ATOM 642 O GLN A 41 -3.268 0.260 -0.504 1.00 0.00 O ATOM 643 CB GLN A 41 -1.186 -0.830 1.372 1.00 0.00 C ATOM 644 CG GLN A 41 0.122 -1.123 2.088 1.00 0.00 C ATOM 645 CD GLN A 41 0.205 -2.553 2.583 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.224 -3.496 1.793 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.253 -2.720 3.900 1.00 0.00 N ATOM 0 H GLN A 41 -2.628 1.160 2.224 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.239 0.900 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.010 -0.946 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.333 -1.569 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.954 -0.927 1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.230 -0.443 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.235 -1.909 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.308 -3.660 4.293 1.00 0.00 H new ATOM 656 N ARG A 42 -1.411 0.813 -1.648 1.00 0.00 N ATOM 657 CA ARG A 42 -2.078 0.813 -2.945 1.00 0.00 C ATOM 658 C ARG A 42 -1.479 -0.249 -3.863 1.00 0.00 C ATOM 659 O ARG A 42 -0.523 0.015 -4.592 1.00 0.00 O ATOM 660 CB ARG A 42 -1.966 2.190 -3.600 1.00 0.00 C ATOM 661 CG ARG A 42 -2.988 2.426 -4.698 1.00 0.00 C ATOM 662 CD ARG A 42 -3.395 3.888 -4.774 1.00 0.00 C ATOM 663 NE ARG A 42 -4.336 4.138 -5.862 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.538 5.336 -6.399 1.00 0.00 C ATOM 665 NH1 ARG A 42 -3.870 6.389 -5.948 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.409 5.483 -7.389 1.00 0.00 N ATOM 0 H ARG A 42 -0.418 1.041 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.131 0.579 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.083 2.958 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.965 2.305 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.574 2.112 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.869 1.811 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.846 4.188 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.507 4.505 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.868 3.349 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.199 6.280 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.027 7.308 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.925 4.675 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.563 6.404 -7.800 1.00 0.00 H new ATOM 680 N LEU A 43 -2.048 -1.448 -3.823 1.00 0.00 N ATOM 681 CA LEU A 43 -1.571 -2.549 -4.651 1.00 0.00 C ATOM 682 C LEU A 43 -2.307 -2.586 -5.987 1.00 0.00 C ATOM 683 O LEU A 43 -3.534 -2.514 -6.033 1.00 0.00 O ATOM 684 CB LEU A 43 -1.750 -3.880 -3.920 1.00 0.00 C ATOM 685 CG LEU A 43 -1.334 -3.873 -2.448 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.423 -5.273 -1.861 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.074 -3.317 -2.296 1.00 0.00 C ATOM 0 H LEU A 43 -2.841 -1.683 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.511 -2.389 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.798 -4.174 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.172 -4.644 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.020 -3.228 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.123 -5.248 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.448 -5.635 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.761 -5.941 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.354 -3.319 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.772 -3.936 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.105 -2.297 -2.678 1.00 0.00 H new ATOM 699 N ILE A 44 -1.546 -2.701 -7.070 1.00 0.00 N ATOM 700 CA ILE A 44 -2.123 -2.750 -8.408 1.00 0.00 C ATOM 701 C ILE A 44 -1.440 -3.815 -9.260 1.00 0.00 C ATOM 702 O ILE A 44 -0.417 -3.554 -9.893 1.00 0.00 O ATOM 703 CB ILE A 44 -2.009 -1.389 -9.121 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.674 -0.293 -8.288 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.634 -1.463 -10.505 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.411 1.105 -8.805 1.00 0.00 C ATOM 0 H ILE A 44 -0.528 -2.762 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.177 -3.001 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.953 -1.142 -9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.750 -0.467 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.319 -0.364 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.546 -0.494 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.118 -2.219 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.687 -1.730 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.914 1.830 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.338 1.299 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.791 1.194 -9.823 1.00 0.00 H new ATOM 718 N PHE A 45 -2.011 -5.015 -9.269 1.00 0.00 N ATOM 719 CA PHE A 45 -1.455 -6.118 -10.044 1.00 0.00 C ATOM 720 C PHE A 45 -1.732 -5.932 -11.532 1.00 0.00 C ATOM 721 O PHE A 45 -2.864 -6.094 -11.987 1.00 0.00 O ATOM 722 CB PHE A 45 -2.039 -7.450 -9.570 1.00 0.00 C ATOM 723 CG PHE A 45 -1.622 -8.620 -10.414 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.289 -8.798 -10.766 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.562 -9.543 -10.860 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.100 -9.876 -11.546 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.179 -10.623 -11.642 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.846 -10.789 -11.985 1.00 0.00 C ATOM 0 H PHE A 45 -2.857 -5.248 -8.749 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.376 -6.127 -9.890 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.731 -7.627 -8.540 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.127 -7.381 -9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.452 -8.089 -10.428 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.601 -9.418 -10.595 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.139 -10.004 -11.811 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.918 -11.333 -11.983 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.545 -11.629 -12.594 1.00 0.00 H new ATOM 738 N ALA A 46 -0.691 -5.592 -12.285 1.00 0.00 N ATOM 739 CA ALA A 46 -0.824 -5.387 -13.722 1.00 0.00 C ATOM 740 C ALA A 46 -1.919 -4.372 -14.031 1.00 0.00 C ATOM 741 O ALA A 46 -2.480 -4.362 -15.126 1.00 0.00 O ATOM 742 CB ALA A 46 -1.114 -6.707 -14.419 1.00 0.00 C ATOM 0 H ALA A 46 0.253 -5.453 -11.924 1.00 0.00 H new ATOM 0 HA ALA A 46 0.120 -4.991 -14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.211 -6.539 -15.492 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.297 -7.404 -14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.043 -7.126 -14.032 1.00 0.00 H new ATOM 748 N GLY A 47 -2.218 -3.518 -13.057 1.00 0.00 N ATOM 749 CA GLY A 47 -3.246 -2.511 -13.244 1.00 0.00 C ATOM 750 C GLY A 47 -4.498 -2.805 -12.443 1.00 0.00 C ATOM 751 O GLY A 47 -5.391 -1.963 -12.342 1.00 0.00 O ATOM 0 H GLY A 47 -1.767 -3.506 -12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.853 -1.537 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.501 -2.449 -14.302 1.00 0.00 H new ATOM 755 N LYS A 48 -4.564 -4.003 -11.873 1.00 0.00 N ATOM 756 CA LYS A 48 -5.717 -4.408 -11.076 1.00 0.00 C ATOM 757 C LYS A 48 -5.512 -4.065 -9.604 1.00 0.00 C ATOM 758 O LYS A 48 -4.690 -4.677 -8.922 1.00 0.00 O ATOM 759 CB LYS A 48 -5.968 -5.910 -11.233 1.00 0.00 C ATOM 760 CG LYS A 48 -7.226 -6.236 -12.021 1.00 0.00 C ATOM 761 CD LYS A 48 -7.629 -7.692 -11.851 1.00 0.00 C ATOM 762 CE LYS A 48 -8.919 -8.002 -12.592 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.119 -7.783 -11.737 1.00 0.00 N ATOM 0 H LYS A 48 -3.833 -4.711 -11.948 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.587 -3.860 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.110 -6.364 -11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.041 -6.363 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.040 -5.591 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.060 -6.024 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.832 -8.337 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.754 -7.915 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.987 -7.374 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.901 -9.037 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.978 -8.006 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.068 -8.401 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.151 -6.789 -11.431 1.00 0.00 H new ATOM 777 N GLN A 49 -6.266 -3.083 -9.122 1.00 0.00 N ATOM 778 CA GLN A 49 -6.171 -2.658 -7.730 1.00 0.00 C ATOM 779 C GLN A 49 -6.838 -3.672 -6.805 1.00 0.00 C ATOM 780 O GLN A 49 -8.028 -3.957 -6.934 1.00 0.00 O ATOM 781 CB GLN A 49 -6.818 -1.283 -7.549 1.00 0.00 C ATOM 782 CG GLN A 49 -5.915 -0.271 -6.864 1.00 0.00 C ATOM 783 CD GLN A 49 -6.581 0.389 -5.673 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.651 -0.188 -4.588 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.075 1.606 -5.870 1.00 0.00 N ATOM 0 H GLN A 49 -6.950 -2.566 -9.675 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.115 -2.592 -7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.108 -0.896 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.732 -1.395 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.001 -0.767 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.622 0.494 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.995 2.047 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.535 2.100 -5.105 1.00 0.00 H new ATOM 794 N LEU A 50 -6.061 -4.215 -5.872 1.00 0.00 N ATOM 795 CA LEU A 50 -6.575 -5.198 -4.926 1.00 0.00 C ATOM 796 C LEU A 50 -7.564 -4.558 -3.958 1.00 0.00 C ATOM 797 O LEU A 50 -7.369 -3.428 -3.510 1.00 0.00 O ATOM 798 CB LEU A 50 -5.425 -5.840 -4.149 1.00 0.00 C ATOM 799 CG LEU A 50 -4.282 -6.377 -5.011 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.291 -7.156 -4.160 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.826 -7.250 -6.131 1.00 0.00 C ATOM 0 H LEU A 50 -5.073 -3.990 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.097 -5.970 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.021 -5.104 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.824 -6.659 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.760 -5.530 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.485 -7.530 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.877 -6.502 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.800 -7.995 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.999 -7.624 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.373 -8.091 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.496 -6.662 -6.758 1.00 0.00 H new ATOM 813 N GLU A 51 -8.628 -5.289 -3.639 1.00 0.00 N ATOM 814 CA GLU A 51 -9.648 -4.793 -2.722 1.00 0.00 C ATOM 815 C GLU A 51 -9.633 -5.576 -1.414 1.00 0.00 C ATOM 816 O GLU A 51 -9.584 -6.807 -1.414 1.00 0.00 O ATOM 817 CB GLU A 51 -11.032 -4.886 -3.367 1.00 0.00 C ATOM 818 CG GLU A 51 -11.343 -3.734 -4.310 1.00 0.00 C ATOM 819 CD GLU A 51 -12.195 -4.160 -5.488 1.00 0.00 C ATOM 820 OE1 GLU A 51 -11.762 -5.058 -6.241 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.297 -3.596 -5.659 1.00 0.00 O ATOM 0 H GLU A 51 -8.806 -6.226 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.425 -3.749 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.105 -5.824 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.788 -4.916 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.858 -2.947 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.409 -3.307 -4.677 1.00 0.00 H new ATOM 828 N ASP A 52 -9.677 -4.853 -0.300 1.00 0.00 N ATOM 829 CA ASP A 52 -9.671 -5.474 1.016 1.00 0.00 C ATOM 830 C ASP A 52 -10.805 -6.484 1.148 1.00 0.00 C ATOM 831 O ASP A 52 -11.880 -6.303 0.575 1.00 0.00 O ATOM 832 CB ASP A 52 -9.795 -4.403 2.099 1.00 0.00 C ATOM 833 CG ASP A 52 -10.644 -3.226 1.659 1.00 0.00 C ATOM 834 OD1 ASP A 52 -11.546 -3.426 0.819 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.406 -2.104 2.154 1.00 0.00 O ATOM 0 H ASP A 52 -9.717 -3.834 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.726 -6.004 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.230 -4.846 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.801 -4.048 2.370 1.00 0.00 H new ATOM 840 N GLY A 53 -10.561 -7.546 1.909 1.00 0.00 N ATOM 841 CA GLY A 53 -11.573 -8.568 2.102 1.00 0.00 C ATOM 842 C GLY A 53 -11.540 -9.630 1.022 1.00 0.00 C ATOM 843 O GLY A 53 -12.113 -10.707 1.185 1.00 0.00 O ATOM 0 H GLY A 53 -9.681 -7.717 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.428 -9.039 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.558 -8.101 2.118 1.00 0.00 H new ATOM 847 N ARG A 54 -10.869 -9.327 -0.085 1.00 0.00 N ATOM 848 CA ARG A 54 -10.766 -10.267 -1.194 1.00 0.00 C ATOM 849 C ARG A 54 -9.545 -11.165 -1.031 1.00 0.00 C ATOM 850 O ARG A 54 -8.536 -10.759 -0.456 1.00 0.00 O ATOM 851 CB ARG A 54 -10.689 -9.512 -2.522 1.00 0.00 C ATOM 852 CG ARG A 54 -11.797 -8.487 -2.704 1.00 0.00 C ATOM 853 CD ARG A 54 -12.791 -8.920 -3.770 1.00 0.00 C ATOM 854 NE ARG A 54 -13.977 -9.544 -3.191 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.062 -9.858 -3.892 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.110 -9.604 -5.193 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.100 -10.425 -3.291 1.00 0.00 N ATOM 0 H ARG A 54 -10.390 -8.440 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.657 -10.894 -1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.725 -9.008 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.731 -10.230 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.318 -8.342 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.363 -7.526 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.089 -8.054 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.309 -9.621 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.973 -9.751 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.314 -9.167 -5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.943 -9.846 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.066 -10.620 -2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.932 -10.666 -3.829 1.00 0.00 H new ATOM 871 N THR A 55 -9.643 -12.389 -1.540 1.00 0.00 N ATOM 872 CA THR A 55 -8.546 -13.346 -1.448 1.00 0.00 C ATOM 873 C THR A 55 -7.617 -13.223 -2.651 1.00 0.00 C ATOM 874 O THR A 55 -7.953 -12.582 -3.647 1.00 0.00 O ATOM 875 CB THR A 55 -9.090 -14.772 -1.354 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.725 -15.147 -2.563 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.089 -14.961 -0.233 1.00 0.00 C ATOM 0 H THR A 55 -10.471 -12.742 -2.020 1.00 0.00 H new ATOM 0 HA THR A 55 -7.977 -13.122 -0.546 1.00 0.00 H new ATOM 0 HB THR A 55 -8.221 -15.399 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.693 -15.026 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.434 -15.995 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.614 -14.728 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.939 -14.296 -0.387 1.00 0.00 H new ATOM 885 N LEU A 56 -6.445 -13.843 -2.551 1.00 0.00 N ATOM 886 CA LEU A 56 -5.466 -13.804 -3.631 1.00 0.00 C ATOM 887 C LEU A 56 -5.969 -14.567 -4.852 1.00 0.00 C ATOM 888 O LEU A 56 -5.947 -14.052 -5.969 1.00 0.00 O ATOM 889 CB LEU A 56 -4.135 -14.395 -3.160 1.00 0.00 C ATOM 890 CG LEU A 56 -3.602 -13.824 -1.845 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.116 -14.111 -1.703 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.867 -12.328 -1.769 1.00 0.00 C ATOM 0 H LEU A 56 -6.151 -14.378 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.316 -12.762 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.253 -15.473 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.388 -14.234 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.125 -14.309 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.754 -13.698 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.951 -15.188 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.576 -13.653 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.482 -11.938 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.370 -11.828 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.940 -12.145 -1.825 1.00 0.00 H new ATOM 904 N SER A 57 -6.423 -15.795 -4.629 1.00 0.00 N ATOM 905 CA SER A 57 -6.933 -16.630 -5.710 1.00 0.00 C ATOM 906 C SER A 57 -8.128 -15.972 -6.392 1.00 0.00 C ATOM 907 O SER A 57 -8.395 -16.212 -7.569 1.00 0.00 O ATOM 908 CB SER A 57 -7.333 -18.005 -5.173 1.00 0.00 C ATOM 909 OG SER A 57 -6.976 -19.032 -6.082 1.00 0.00 O ATOM 0 H SER A 57 -6.448 -16.235 -3.709 1.00 0.00 H new ATOM 0 HA SER A 57 -6.139 -16.750 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.847 -18.179 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.408 -18.030 -4.995 1.00 0.00 H new ATOM 0 HG SER A 57 -7.241 -19.901 -5.714 1.00 0.00 H new ATOM 915 N ASP A 58 -8.847 -15.142 -5.642 1.00 0.00 N ATOM 916 CA ASP A 58 -10.015 -14.449 -6.173 1.00 0.00 C ATOM 917 C ASP A 58 -9.661 -13.662 -7.430 1.00 0.00 C ATOM 918 O ASP A 58 -10.458 -13.575 -8.364 1.00 0.00 O ATOM 919 CB ASP A 58 -10.601 -13.511 -5.117 1.00 0.00 C ATOM 920 CG ASP A 58 -11.551 -14.223 -4.175 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.168 -15.223 -4.599 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.678 -13.783 -3.014 1.00 0.00 O ATOM 0 H ASP A 58 -8.641 -14.933 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.760 -15.199 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.790 -13.064 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.128 -12.695 -5.612 1.00 0.00 H new ATOM 927 N TYR A 59 -8.462 -13.090 -7.447 1.00 0.00 N ATOM 928 CA TYR A 59 -8.005 -12.310 -8.590 1.00 0.00 C ATOM 929 C TYR A 59 -7.214 -13.180 -9.562 1.00 0.00 C ATOM 930 O TYR A 59 -6.429 -12.674 -10.365 1.00 0.00 O ATOM 931 CB TYR A 59 -7.145 -11.136 -8.121 1.00 0.00 C ATOM 932 CG TYR A 59 -7.915 -10.093 -7.344 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.897 -9.321 -7.962 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.660 -9.878 -5.990 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.605 -8.364 -7.253 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.365 -8.922 -5.274 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.335 -8.169 -5.910 1.00 0.00 C ATOM 938 OH TYR A 59 -10.036 -7.219 -5.202 1.00 0.00 O ATOM 0 H TYR A 59 -7.790 -13.152 -6.682 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.882 -11.924 -9.109 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.335 -11.516 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.685 -10.664 -8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.110 -9.471 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.902 -10.465 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.363 -7.774 -7.746 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.158 -8.767 -4.226 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.518 -6.636 -5.825 1.00 0.00 H new ATOM 948 N ASN A 60 -7.426 -14.489 -9.485 1.00 0.00 N ATOM 949 CA ASN A 60 -6.732 -15.427 -10.359 1.00 0.00 C ATOM 950 C ASN A 60 -5.263 -15.048 -10.509 1.00 0.00 C ATOM 951 O ASN A 60 -4.832 -14.601 -11.571 1.00 0.00 O ATOM 952 CB ASN A 60 -7.402 -15.467 -11.734 1.00 0.00 C ATOM 953 CG ASN A 60 -7.982 -14.123 -12.132 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.251 -13.200 -12.494 1.00 0.00 O ATOM 955 ND2 ASN A 60 -9.303 -14.007 -12.065 1.00 0.00 N ATOM 0 H ASN A 60 -8.072 -14.924 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.789 -16.416 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.674 -15.781 -12.481 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.195 -16.215 -11.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.751 -13.127 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.870 -14.798 -11.759 1.00 0.00 H new ATOM 962 N LEU A 61 -4.499 -15.230 -9.437 1.00 0.00 N ATOM 963 CA LEU A 61 -3.077 -14.907 -9.449 1.00 0.00 C ATOM 964 C LEU A 61 -2.244 -16.134 -9.811 1.00 0.00 C ATOM 965 O LEU A 61 -2.783 -17.217 -10.035 1.00 0.00 O ATOM 966 CB LEU A 61 -2.645 -14.367 -8.084 1.00 0.00 C ATOM 967 CG LEU A 61 -2.785 -12.852 -7.916 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.560 -12.139 -8.467 1.00 0.00 C ATOM 969 CD2 LEU A 61 -4.050 -12.355 -8.600 1.00 0.00 C ATOM 0 H LEU A 61 -4.840 -15.599 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.909 -14.140 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.235 -14.860 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.604 -14.642 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.861 -12.628 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.677 -11.063 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.672 -12.474 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.451 -12.369 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.134 -11.276 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.005 -12.591 -9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.919 -12.842 -8.157 1.00 0.00 H new ATOM 981 N GLN A 62 -0.929 -15.954 -9.867 1.00 0.00 N ATOM 982 CA GLN A 62 -0.023 -17.045 -10.202 1.00 0.00 C ATOM 983 C GLN A 62 1.271 -16.943 -9.401 1.00 0.00 C ATOM 984 O GLN A 62 1.574 -15.899 -8.823 1.00 0.00 O ATOM 985 CB GLN A 62 0.289 -17.036 -11.699 1.00 0.00 C ATOM 986 CG GLN A 62 -0.913 -17.350 -12.573 1.00 0.00 C ATOM 987 CD GLN A 62 -1.449 -18.749 -12.345 1.00 0.00 C ATOM 988 OE1 GLN A 62 -2.416 -18.944 -11.608 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.822 -19.733 -12.978 1.00 0.00 N ATOM 0 H GLN A 62 -0.467 -15.063 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.515 -17.983 -9.946 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.682 -16.057 -11.974 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.075 -17.763 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.702 -16.625 -12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.635 -17.238 -13.621 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.025 -19.526 -13.579 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.138 -20.696 -12.863 1.00 0.00 H new ATOM 998 N LYS A 63 2.031 -18.033 -9.372 1.00 0.00 N ATOM 999 CA LYS A 63 3.293 -18.065 -8.643 1.00 0.00 C ATOM 1000 C LYS A 63 4.320 -17.147 -9.297 1.00 0.00 C ATOM 1001 O LYS A 63 4.424 -17.090 -10.522 1.00 0.00 O ATOM 1002 CB LYS A 63 3.834 -19.494 -8.580 1.00 0.00 C ATOM 1003 CG LYS A 63 4.056 -19.999 -7.164 1.00 0.00 C ATOM 1004 CD LYS A 63 4.156 -21.515 -7.124 1.00 0.00 C ATOM 1005 CE LYS A 63 5.565 -21.973 -6.782 1.00 0.00 C ATOM 1006 NZ LYS A 63 5.565 -23.066 -5.771 1.00 0.00 N ATOM 0 H LYS A 63 1.795 -18.905 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 63 3.108 -17.710 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.137 -20.160 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.777 -19.541 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.969 -19.562 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.235 -19.670 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.456 -21.907 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.864 -21.925 -8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.065 -22.317 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.139 -21.128 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.544 -23.349 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.111 -22.731 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.039 -23.883 -6.143 1.00 0.00 H new ATOM 1020 N GLU A 64 5.076 -16.428 -8.473 1.00 0.00 N ATOM 1021 CA GLU A 64 6.092 -15.513 -8.975 1.00 0.00 C ATOM 1022 C GLU A 64 5.456 -14.398 -9.799 1.00 0.00 C ATOM 1023 O GLU A 64 5.593 -14.360 -11.021 1.00 0.00 O ATOM 1024 CB GLU A 64 7.116 -16.270 -9.823 1.00 0.00 C ATOM 1025 CG GLU A 64 7.811 -17.394 -9.073 1.00 0.00 C ATOM 1026 CD GLU A 64 9.008 -17.943 -9.823 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.067 -17.767 -11.058 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.887 -18.551 -9.177 1.00 0.00 O ATOM 0 H GLU A 64 5.003 -16.462 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 64 6.600 -15.066 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.616 -16.683 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.866 -15.567 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.134 -17.030 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.099 -18.200 -8.893 1.00 0.00 H new ATOM 1035 N SER A 65 4.756 -13.493 -9.121 1.00 0.00 N ATOM 1036 CA SER A 65 4.097 -12.380 -9.791 1.00 0.00 C ATOM 1037 C SER A 65 4.629 -11.043 -9.286 1.00 0.00 C ATOM 1038 O SER A 65 5.297 -10.980 -8.254 1.00 0.00 O ATOM 1039 CB SER A 65 2.584 -12.452 -9.574 1.00 0.00 C ATOM 1040 OG SER A 65 1.965 -13.263 -10.557 1.00 0.00 O ATOM 0 H SER A 65 4.631 -13.510 -8.109 1.00 0.00 H new ATOM 0 HA SER A 65 4.311 -12.455 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.375 -12.854 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.161 -11.448 -9.607 1.00 0.00 H new ATOM 0 HG SER A 65 1.770 -14.145 -10.178 1.00 0.00 H new ATOM 1046 N THR A 66 4.327 -9.979 -10.021 1.00 0.00 N ATOM 1047 CA THR A 66 4.773 -8.641 -9.649 1.00 0.00 C ATOM 1048 C THR A 66 3.588 -7.765 -9.256 1.00 0.00 C ATOM 1049 O THR A 66 2.559 -7.755 -9.932 1.00 0.00 O ATOM 1050 CB THR A 66 5.538 -7.996 -10.804 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.687 -8.757 -11.133 1.00 0.00 O ATOM 1052 CG2 THR A 66 5.994 -6.585 -10.506 1.00 0.00 C ATOM 0 H THR A 66 3.775 -10.017 -10.878 1.00 0.00 H new ATOM 0 HA THR A 66 5.437 -8.731 -8.790 1.00 0.00 H new ATOM 0 HB THR A 66 4.833 -7.966 -11.635 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.162 -8.328 -11.875 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.530 -6.186 -11.367 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.127 -5.959 -10.297 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.654 -6.592 -9.639 1.00 0.00 H new ATOM 1060 N ILE A 67 3.739 -7.029 -8.160 1.00 0.00 N ATOM 1061 CA ILE A 67 2.680 -6.150 -7.681 1.00 0.00 C ATOM 1062 C ILE A 67 3.195 -4.732 -7.469 1.00 0.00 C ATOM 1063 O ILE A 67 4.239 -4.525 -6.849 1.00 0.00 O ATOM 1064 CB ILE A 67 2.074 -6.665 -6.362 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.374 -8.007 -6.587 1.00 0.00 C ATOM 1066 CG2 ILE A 67 1.102 -5.643 -5.792 1.00 0.00 C ATOM 1067 CD1 ILE A 67 0.853 -8.639 -5.314 1.00 0.00 C ATOM 0 H ILE A 67 4.583 -7.024 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 67 1.907 -6.142 -8.449 1.00 0.00 H new ATOM 0 HB ILE A 67 2.879 -6.813 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.543 -7.863 -7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.071 -8.695 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.682 -6.021 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.628 -4.708 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.298 -5.467 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.369 -9.587 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.683 -8.816 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.131 -7.970 -4.845 1.00 0.00 H new ATOM 1079 N HIS A 68 2.455 -3.757 -7.987 1.00 0.00 N ATOM 1080 CA HIS A 68 2.834 -2.356 -7.856 1.00 0.00 C ATOM 1081 C HIS A 68 2.186 -1.731 -6.623 1.00 0.00 C ATOM 1082 O HIS A 68 0.963 -1.609 -6.548 1.00 0.00 O ATOM 1083 CB HIS A 68 2.432 -1.579 -9.110 1.00 0.00 C ATOM 1084 CG HIS A 68 2.725 -2.308 -10.384 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.222 -1.920 -11.607 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.476 -3.411 -10.621 1.00 0.00 C ATOM 1087 CE1 HIS A 68 2.649 -2.751 -12.542 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.412 -3.664 -11.970 1.00 0.00 N ATOM 0 H HIS A 68 1.588 -3.912 -8.502 1.00 0.00 H new ATOM 0 HA HIS A 68 3.917 -2.306 -7.739 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.366 -1.358 -9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.956 -0.623 -9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.023 -3.984 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.414 -2.693 -13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.878 -4.433 -12.452 1.00 0.00 H new ATOM 1097 N LEU A 69 3.013 -1.339 -5.660 1.00 0.00 N ATOM 1098 CA LEU A 69 2.521 -0.729 -4.430 1.00 0.00 C ATOM 1099 C LEU A 69 2.737 0.779 -4.447 1.00 0.00 C ATOM 1100 O LEU A 69 3.830 1.257 -4.752 1.00 0.00 O ATOM 1101 CB LEU A 69 3.220 -1.343 -3.215 1.00 0.00 C ATOM 1102 CG LEU A 69 2.580 -1.011 -1.867 1.00 0.00 C ATOM 1103 CD1 LEU A 69 2.912 -2.084 -0.841 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.038 0.355 -1.381 1.00 0.00 C ATOM 0 H LEU A 69 4.028 -1.433 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 69 1.451 -0.924 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.239 -2.426 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.256 -1.005 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 69 1.498 -0.983 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.448 -1.831 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.533 -3.046 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.993 -2.144 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.572 0.574 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.122 0.356 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.748 1.115 -2.107 1.00 0.00 H new ATOM 1116 N VAL A 70 1.688 1.523 -4.116 1.00 0.00 N ATOM 1117 CA VAL A 70 1.761 2.977 -4.091 1.00 0.00 C ATOM 1118 C VAL A 70 1.128 3.536 -2.822 1.00 0.00 C ATOM 1119 O VAL A 70 0.111 3.031 -2.347 1.00 0.00 O ATOM 1120 CB VAL A 70 1.066 3.610 -5.316 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.020 4.547 -6.042 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.538 2.539 -6.260 1.00 0.00 C ATOM 0 H VAL A 70 0.777 1.142 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 70 2.820 3.234 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 70 0.214 4.191 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.515 4.985 -6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.337 5.340 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.893 3.988 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.054 3.013 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.366 1.922 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.184 1.914 -5.734 1.00 0.00 H new ATOM 1132 N LEU A 71 1.737 4.583 -2.278 1.00 0.00 N ATOM 1133 CA LEU A 71 1.233 5.216 -1.064 1.00 0.00 C ATOM 1134 C LEU A 71 0.066 6.146 -1.381 1.00 0.00 C ATOM 1135 O LEU A 71 0.124 6.928 -2.330 1.00 0.00 O ATOM 1136 CB LEU A 71 2.348 5.999 -0.368 1.00 0.00 C ATOM 1137 CG LEU A 71 2.610 5.601 1.085 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.864 4.748 1.186 1.00 0.00 C ATOM 1139 CD2 LEU A 71 2.729 6.836 1.963 1.00 0.00 C ATOM 0 H LEU A 71 2.581 5.012 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 71 0.880 4.431 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.270 5.871 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.100 7.060 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 71 1.765 5.010 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.035 4.474 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.739 3.845 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.719 5.313 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.915 6.533 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.555 7.454 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.802 7.407 1.915 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.991 6.058 -0.581 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.170 6.894 -0.779 1.00 0.00 C ATOM 1153 C ARG A 72 -1.772 8.355 -0.976 1.00 0.00 C ATOM 1154 O ARG A 72 -0.771 8.814 -0.428 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.125 6.761 0.411 1.00 0.00 C ATOM 1156 CG ARG A 72 -2.868 7.768 1.523 1.00 0.00 C ATOM 1157 CD ARG A 72 -1.453 7.651 2.066 1.00 0.00 C ATOM 1158 NE ARG A 72 -0.754 8.932 2.053 1.00 0.00 N ATOM 1159 CZ ARG A 72 -1.189 10.016 2.688 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -2.317 9.972 3.385 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -0.496 11.145 2.627 1.00 0.00 N ATOM 0 H ARG A 72 -1.056 5.417 0.210 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.681 6.553 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.149 6.879 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.043 5.754 0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.032 8.777 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.583 7.610 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.487 7.267 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.895 6.928 1.471 1.00 0.00 H new ATOM 0 HE ARG A 72 0.117 8.999 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.852 9.105 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.649 10.805 3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.372 11.182 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.831 11.976 3.115 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.565 9.079 -1.758 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.296 10.486 -2.025 1.00 0.00 C ATOM 1177 C LEU A 73 -3.446 11.361 -1.535 1.00 0.00 C ATOM 1178 O LEU A 73 -3.586 12.510 -1.953 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.066 10.712 -3.520 1.00 0.00 C ATOM 1180 CG LEU A 73 -0.690 11.271 -3.885 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -0.336 10.923 -5.323 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -0.653 12.777 -3.674 1.00 0.00 C ATOM 0 H LEU A 73 -3.399 8.714 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.393 10.766 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.207 9.765 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.829 11.396 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 73 0.052 10.814 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.646 11.329 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.320 9.840 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.080 11.351 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.334 13.157 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.406 13.251 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.860 13.003 -2.628 1.00 0.00 H new ATOM 1194 N ARG A 74 -4.266 10.808 -0.648 1.00 0.00 N ATOM 1195 CA ARG A 74 -5.404 11.537 -0.100 1.00 0.00 C ATOM 1196 C ARG A 74 -6.058 10.754 1.033 1.00 0.00 C ATOM 1197 O ARG A 74 -6.326 9.560 0.904 1.00 0.00 O ATOM 1198 CB ARG A 74 -6.430 11.823 -1.198 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.805 10.598 -2.017 1.00 0.00 C ATOM 1200 CD ARG A 74 -8.117 10.804 -2.757 1.00 0.00 C ATOM 1201 NE ARG A 74 -9.266 10.737 -1.861 1.00 0.00 N ATOM 1202 CZ ARG A 74 -9.707 9.609 -1.313 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -9.099 8.460 -1.576 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -10.757 9.630 -0.503 1.00 0.00 N ATOM 0 H ARG A 74 -4.164 9.857 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.039 12.482 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.331 12.235 -0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.032 12.587 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.012 10.381 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.888 9.732 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.103 11.773 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.218 10.046 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.758 11.603 -1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.292 8.441 -2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.438 7.595 -1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.227 10.512 -0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.095 8.764 -0.083 1.00 0.00 H new ATOM 1218 N GLY A 75 -6.314 11.437 2.145 1.00 0.00 N ATOM 1219 CA GLY A 75 -6.935 10.791 3.286 1.00 0.00 C ATOM 1220 C GLY A 75 -7.183 11.751 4.433 1.00 0.00 C ATOM 1221 O GLY A 75 -6.892 11.438 5.587 1.00 0.00 O ATOM 0 H GLY A 75 -6.102 12.426 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.881 10.347 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.297 9.976 3.630 1.00 0.00 H new ATOM 1225 N GLY A 76 -7.721 12.923 4.113 1.00 0.00 N ATOM 1226 CA GLY A 76 -8.000 13.915 5.134 1.00 0.00 C ATOM 1227 C GLY A 76 -7.951 15.331 4.596 1.00 0.00 C ATOM 1228 O GLY A 76 -6.853 15.781 4.206 1.00 0.00 O ATOM 1229 OXT GLY A 76 -9.011 15.991 4.564 1.00 0.00 O ATOM 0 H GLY A 76 -7.969 13.204 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.985 13.726 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.277 13.812 5.943 1.00 0.00 H new TER 1233 GLY A 76