USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 63 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.0399 K(o=-0.04,f=-2.9!) USER MOD Set 2.1: A 28 SER OG : rot -120:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.7) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 38 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-4.1!) USER MOD Single : A 4 LYS NZ :NH3+ -108:sc= -0.185 (180deg=-2.6!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.457 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.45! C(o=-4.5!,f=-11!) USER MOD Single : A 21 GLN : amide:sc= 1.08 K(o=1.1,f=-0.29) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.000422 K(o=-0.00042,f=-1.1) USER MOD Single : A 34 CYS SG : rot -160:sc= -0.172 USER MOD Single : A 36 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -143:sc= -0.0572 (180deg=-0.619) USER MOD Single : A 56 SER OG : rot -34:sc= 1.32 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.317 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.221 X(o=0.22,f=-0.088) USER MOD Single : A 83 THR OG1 : rot 26:sc= 0.959 USER MOD Single : A 85 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -15.546 -1.170 5.411 1.00 0.00 N ATOM 38 CA LYS A 4 -16.065 0.195 5.552 1.00 0.00 C ATOM 39 C LYS A 4 -16.407 0.829 4.199 1.00 0.00 C ATOM 40 O LYS A 4 -17.438 1.494 4.081 1.00 0.00 O ATOM 41 CB LYS A 4 -15.070 1.064 6.353 1.00 0.00 C ATOM 42 CG LYS A 4 -13.655 1.099 5.739 1.00 0.00 C ATOM 43 CD LYS A 4 -12.623 1.953 6.477 1.00 0.00 C ATOM 44 CE LYS A 4 -12.612 3.427 6.015 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.798 4.208 6.415 1.00 0.00 N ATOM 0 HA LYS A 4 -17.001 0.140 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.456 2.081 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.006 0.684 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.279 0.077 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.734 1.465 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.828 1.916 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.632 1.524 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.722 3.912 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.527 3.452 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.391 4.391 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.346 3.672 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.495 5.112 6.829 1.00 0.00 H new ATOM 59 N MET A 5 -15.549 0.631 3.201 1.00 0.00 N ATOM 60 CA MET A 5 -15.672 1.167 1.860 1.00 0.00 C ATOM 61 C MET A 5 -16.428 0.109 1.061 1.00 0.00 C ATOM 62 O MET A 5 -15.826 -0.855 0.581 1.00 0.00 O ATOM 63 CB MET A 5 -14.278 1.494 1.321 1.00 0.00 C ATOM 64 CG MET A 5 -14.338 2.637 0.329 1.00 0.00 C ATOM 65 SD MET A 5 -14.064 4.295 1.007 1.00 0.00 S ATOM 66 CE MET A 5 -13.770 5.211 -0.533 1.00 0.00 C ATOM 0 H MET A 5 -14.710 0.063 3.318 1.00 0.00 H new ATOM 0 HA MET A 5 -16.225 2.105 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.617 1.758 2.147 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.853 0.612 0.841 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.595 2.457 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 5 -15.315 2.621 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.582 6.260 -0.302 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.905 4.792 -1.046 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.647 5.133 -1.176 1.00 0.00 H new ATOM 76 N SER A 6 -17.760 0.215 1.021 1.00 0.00 N ATOM 77 CA SER A 6 -18.605 -0.807 0.426 1.00 0.00 C ATOM 78 C SER A 6 -18.576 -0.709 -1.102 1.00 0.00 C ATOM 79 O SER A 6 -19.527 -0.215 -1.708 1.00 0.00 O ATOM 80 CB SER A 6 -20.019 -0.775 1.026 1.00 0.00 C ATOM 81 OG SER A 6 -20.617 0.513 1.080 1.00 0.00 O ATOM 0 H SER A 6 -18.274 1.010 1.400 1.00 0.00 H new ATOM 0 HA SER A 6 -18.205 -1.791 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.661 -1.433 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.979 -1.184 2.036 1.00 0.00 H new ATOM 0 HG SER A 6 -21.512 0.442 1.472 1.00 0.00 H new ATOM 87 N ASP A 7 -17.499 -1.219 -1.707 1.00 0.00 N ATOM 88 CA ASP A 7 -17.160 -1.165 -3.135 1.00 0.00 C ATOM 89 C ASP A 7 -16.898 0.268 -3.612 1.00 0.00 C ATOM 90 O ASP A 7 -17.365 1.258 -3.052 1.00 0.00 O ATOM 91 CB ASP A 7 -18.208 -1.898 -3.984 1.00 0.00 C ATOM 92 CG ASP A 7 -18.031 -1.775 -5.489 1.00 0.00 C ATOM 93 OD1 ASP A 7 -16.874 -1.878 -5.982 1.00 0.00 O ATOM 94 OD2 ASP A 7 -19.070 -1.563 -6.148 1.00 0.00 O ATOM 0 H ASP A 7 -16.788 -1.718 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.219 -1.698 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.191 -2.955 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.195 -1.519 -3.719 1.00 0.00 H new ATOM 99 N VAL A 8 -16.058 0.384 -4.633 1.00 0.00 N ATOM 100 CA VAL A 8 -15.264 1.551 -4.983 1.00 0.00 C ATOM 101 C VAL A 8 -14.946 1.539 -6.485 1.00 0.00 C ATOM 102 O VAL A 8 -14.334 2.473 -7.007 1.00 0.00 O ATOM 103 CB VAL A 8 -13.949 1.526 -4.163 1.00 0.00 C ATOM 104 CG1 VAL A 8 -13.307 2.921 -4.064 1.00 0.00 C ATOM 105 CG2 VAL A 8 -14.068 1.004 -2.722 1.00 0.00 C ATOM 0 H VAL A 8 -15.904 -0.388 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.823 2.458 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.338 0.825 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.388 2.858 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.078 3.288 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.000 3.607 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.089 1.031 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.762 1.632 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.437 -0.022 -2.736 1.00 0.00 H new ATOM 115 N LYS A 9 -15.337 0.472 -7.189 1.00 0.00 N ATOM 116 CA LYS A 9 -15.068 0.129 -8.588 1.00 0.00 C ATOM 117 C LYS A 9 -13.591 -0.107 -8.909 1.00 0.00 C ATOM 118 O LYS A 9 -13.293 -0.706 -9.940 1.00 0.00 O ATOM 119 CB LYS A 9 -15.627 1.208 -9.527 1.00 0.00 C ATOM 120 CG LYS A 9 -17.028 1.699 -9.157 1.00 0.00 C ATOM 121 CD LYS A 9 -18.163 0.788 -9.618 1.00 0.00 C ATOM 122 CE LYS A 9 -19.028 0.472 -8.405 1.00 0.00 C ATOM 123 NZ LYS A 9 -20.443 0.348 -8.763 1.00 0.00 N ATOM 0 H LYS A 9 -15.909 -0.247 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.576 -0.822 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.946 2.059 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.649 0.813 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.086 1.810 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.177 2.689 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.755 1.277 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.765 -0.129 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.686 -0.456 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.909 1.258 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.999 0.133 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.776 1.242 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.560 -0.419 -9.456 1.00 0.00 H new ATOM 137 N CYS A 10 -12.661 0.393 -8.099 1.00 0.00 N ATOM 138 CA CYS A 10 -11.291 0.657 -8.521 1.00 0.00 C ATOM 139 C CYS A 10 -10.260 -0.007 -7.607 1.00 0.00 C ATOM 140 O CYS A 10 -9.068 0.296 -7.716 1.00 0.00 O ATOM 141 CB CYS A 10 -11.084 2.180 -8.579 1.00 0.00 C ATOM 142 SG CYS A 10 -12.330 2.976 -9.633 1.00 0.00 S ATOM 0 H CYS A 10 -12.840 0.628 -7.123 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.138 0.221 -9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.137 2.595 -7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.087 2.399 -8.962 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.124 4.259 -9.655 1.00 0.00 H new ATOM 148 N THR A 11 -10.698 -0.881 -6.697 1.00 0.00 N ATOM 149 CA THR A 11 -9.851 -1.406 -5.641 1.00 0.00 C ATOM 150 C THR A 11 -8.559 -2.007 -6.211 1.00 0.00 C ATOM 151 O THR A 11 -7.459 -1.620 -5.804 1.00 0.00 O ATOM 152 CB THR A 11 -10.685 -2.325 -4.723 1.00 0.00 C ATOM 153 OG1 THR A 11 -9.977 -2.569 -3.522 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.166 -3.645 -5.333 1.00 0.00 C ATOM 0 H THR A 11 -11.652 -1.240 -6.678 1.00 0.00 H new ATOM 0 HA THR A 11 -9.490 -0.605 -4.996 1.00 0.00 H new ATOM 0 HB THR A 11 -11.605 -1.769 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.510 -3.151 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.740 -4.201 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.796 -3.438 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.305 -4.237 -5.644 1.00 0.00 H new ATOM 162 N SER A 12 -8.663 -2.884 -7.203 1.00 0.00 N ATOM 163 CA SER A 12 -7.528 -3.539 -7.817 1.00 0.00 C ATOM 164 C SER A 12 -7.254 -2.938 -9.199 1.00 0.00 C ATOM 165 O SER A 12 -6.829 -3.651 -10.109 1.00 0.00 O ATOM 166 CB SER A 12 -7.719 -5.055 -7.781 1.00 0.00 C ATOM 167 OG SER A 12 -7.828 -5.528 -6.442 1.00 0.00 O ATOM 0 H SER A 12 -9.558 -3.161 -7.606 1.00 0.00 H new ATOM 0 HA SER A 12 -6.616 -3.356 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.616 -5.325 -8.339 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.878 -5.542 -8.274 1.00 0.00 H new ATOM 0 HG SER A 12 -7.951 -6.500 -6.448 1.00 0.00 H new ATOM 173 N VAL A 13 -7.386 -1.612 -9.333 1.00 0.00 N ATOM 174 CA VAL A 13 -6.663 -0.836 -10.303 1.00 0.00 C ATOM 175 C VAL A 13 -5.713 0.076 -9.504 1.00 0.00 C ATOM 176 O VAL A 13 -4.512 -0.026 -9.733 1.00 0.00 O ATOM 177 CB VAL A 13 -7.626 -0.181 -11.328 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.080 0.014 -10.913 1.00 0.00 C ATOM 179 CG2 VAL A 13 -7.119 1.196 -11.719 1.00 0.00 C ATOM 0 H VAL A 13 -8.013 -1.055 -8.752 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.032 -1.427 -10.967 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.627 -0.913 -12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.632 0.482 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.525 -0.954 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.124 0.654 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.804 1.645 -12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.059 1.827 -10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.129 1.106 -12.167 1.00 0.00 H new ATOM 189 N VAL A 14 -6.185 0.900 -8.544 1.00 0.00 N ATOM 190 CA VAL A 14 -5.355 1.983 -7.987 1.00 0.00 C ATOM 191 C VAL A 14 -4.049 1.479 -7.375 1.00 0.00 C ATOM 192 O VAL A 14 -2.979 1.703 -7.935 1.00 0.00 O ATOM 193 CB VAL A 14 -6.111 3.027 -7.158 1.00 0.00 C ATOM 194 CG1 VAL A 14 -7.442 3.437 -7.769 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.393 2.542 -5.763 1.00 0.00 C ATOM 0 H VAL A 14 -7.122 0.836 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.046 2.571 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.443 3.888 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.923 4.178 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.272 3.865 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.086 2.562 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.930 3.313 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.001 1.638 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.453 2.322 -5.257 1.00 0.00 H new ATOM 205 N LEU A 15 -4.112 0.763 -6.247 1.00 0.00 N ATOM 206 CA LEU A 15 -2.908 0.324 -5.557 1.00 0.00 C ATOM 207 C LEU A 15 -2.168 -0.663 -6.450 1.00 0.00 C ATOM 208 O LEU A 15 -0.941 -0.656 -6.490 1.00 0.00 O ATOM 209 CB LEU A 15 -3.266 -0.254 -4.175 1.00 0.00 C ATOM 210 CG LEU A 15 -2.039 -0.650 -3.339 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.964 0.436 -3.213 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.460 -1.063 -1.938 1.00 0.00 C ATOM 0 H LEU A 15 -4.983 0.479 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.240 1.164 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.850 0.482 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.902 -1.129 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.592 -1.479 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.139 0.063 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.595 0.699 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.393 1.319 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.578 -1.340 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.967 -0.230 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.137 -1.915 -1.998 1.00 0.00 H new ATOM 224 N LEU A 16 -2.927 -1.435 -7.235 1.00 0.00 N ATOM 225 CA LEU A 16 -2.460 -2.372 -8.241 1.00 0.00 C ATOM 226 C LEU A 16 -1.506 -1.744 -9.262 1.00 0.00 C ATOM 227 O LEU A 16 -0.702 -2.472 -9.836 1.00 0.00 O ATOM 228 CB LEU A 16 -3.673 -3.052 -8.912 1.00 0.00 C ATOM 229 CG LEU A 16 -3.838 -4.545 -8.571 1.00 0.00 C ATOM 230 CD1 LEU A 16 -2.719 -5.357 -9.217 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.921 -4.803 -7.055 1.00 0.00 C ATOM 0 H LEU A 16 -3.945 -1.415 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.862 -3.131 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.579 -2.523 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.580 -2.947 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.792 -4.872 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.845 -6.411 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.756 -5.231 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.755 -5.010 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.037 -5.872 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.008 -4.450 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.777 -4.270 -6.642 1.00 0.00 H new ATOM 243 N SER A 17 -1.537 -0.423 -9.422 1.00 0.00 N ATOM 244 CA SER A 17 -0.717 0.349 -10.341 1.00 0.00 C ATOM 245 C SER A 17 0.203 1.342 -9.629 1.00 0.00 C ATOM 246 O SER A 17 0.923 2.074 -10.302 1.00 0.00 O ATOM 247 CB SER A 17 -1.620 1.012 -11.375 1.00 0.00 C ATOM 248 OG SER A 17 -2.238 -0.008 -12.142 1.00 0.00 O ATOM 0 H SER A 17 -2.171 0.166 -8.882 1.00 0.00 H new ATOM 0 HA SER A 17 -0.036 -0.329 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.373 1.627 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.040 1.673 -12.019 1.00 0.00 H new ATOM 0 HG SER A 17 -2.826 0.398 -12.813 1.00 0.00 H new ATOM 254 N VAL A 18 0.209 1.396 -8.297 1.00 0.00 N ATOM 255 CA VAL A 18 1.226 2.131 -7.554 1.00 0.00 C ATOM 256 C VAL A 18 2.422 1.200 -7.304 1.00 0.00 C ATOM 257 O VAL A 18 3.439 1.293 -7.992 1.00 0.00 O ATOM 258 CB VAL A 18 0.601 2.767 -6.289 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.636 3.466 -5.398 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.482 3.793 -6.663 1.00 0.00 C ATOM 0 H VAL A 18 -0.486 0.935 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 18 1.616 2.975 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 18 0.165 1.938 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.138 3.892 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.383 2.742 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.124 4.261 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.904 4.224 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.040 4.584 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.271 3.299 -7.231 1.00 0.00 H new ATOM 270 N LEU A 19 2.327 0.309 -6.312 1.00 0.00 N ATOM 271 CA LEU A 19 3.513 -0.294 -5.699 1.00 0.00 C ATOM 272 C LEU A 19 3.916 -1.557 -6.465 1.00 0.00 C ATOM 273 O LEU A 19 5.021 -1.717 -6.964 1.00 0.00 O ATOM 274 CB LEU A 19 3.199 -0.571 -4.211 1.00 0.00 C ATOM 275 CG LEU A 19 4.373 -0.410 -3.240 1.00 0.00 C ATOM 276 CD1 LEU A 19 5.514 -1.375 -3.525 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.912 1.018 -3.208 1.00 0.00 C ATOM 0 H LEU A 19 1.442 -0.010 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 19 4.367 0.381 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.398 0.099 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.816 -1.588 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 19 3.961 -0.650 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.316 -1.213 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.153 -2.400 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.892 -1.204 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.742 1.078 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.258 1.299 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.121 1.699 -2.894 1.00 0.00 H new ATOM 289 N GLN A 20 2.965 -2.463 -6.591 1.00 0.00 N ATOM 290 CA GLN A 20 2.988 -3.691 -7.373 1.00 0.00 C ATOM 291 C GLN A 20 2.935 -3.511 -8.888 1.00 0.00 C ATOM 292 O GLN A 20 3.012 -4.486 -9.633 1.00 0.00 O ATOM 293 CB GLN A 20 1.794 -4.529 -6.941 1.00 0.00 C ATOM 294 CG GLN A 20 0.473 -3.782 -6.974 1.00 0.00 C ATOM 295 CD GLN A 20 0.028 -3.261 -5.608 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.695 -2.446 -4.997 1.00 0.00 O ATOM 297 NE2 GLN A 20 -1.092 -3.694 -5.057 1.00 0.00 N ATOM 0 H GLN A 20 2.075 -2.351 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 20 3.950 -4.164 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.722 -5.402 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.967 -4.896 -5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.558 -2.942 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.298 -4.443 -7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.670 -4.377 -5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.378 -3.345 -4.142 1.00 0.00 H new ATOM 306 N GLN A 21 2.802 -2.267 -9.331 1.00 0.00 N ATOM 307 CA GLN A 21 3.061 -1.863 -10.709 1.00 0.00 C ATOM 308 C GLN A 21 4.332 -2.572 -11.187 1.00 0.00 C ATOM 309 O GLN A 21 4.303 -3.238 -12.225 1.00 0.00 O ATOM 310 CB GLN A 21 3.226 -0.333 -10.794 1.00 0.00 C ATOM 311 CG GLN A 21 3.245 0.236 -12.222 1.00 0.00 C ATOM 312 CD GLN A 21 3.844 1.647 -12.323 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.733 1.921 -13.134 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.359 2.603 -11.551 1.00 0.00 N ATOM 0 H GLN A 21 2.506 -1.496 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 21 2.222 -2.142 -11.347 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.412 0.137 -10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.154 -0.054 -10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.815 -0.437 -12.863 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.226 0.256 -12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.624 2.390 -10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.719 3.554 -11.629 1.00 0.00 H new ATOM 323 N LEU A 22 5.419 -2.438 -10.415 1.00 0.00 N ATOM 324 CA LEU A 22 6.735 -2.953 -10.775 1.00 0.00 C ATOM 325 C LEU A 22 7.501 -3.539 -9.595 1.00 0.00 C ATOM 326 O LEU A 22 8.399 -4.347 -9.844 1.00 0.00 O ATOM 327 CB LEU A 22 7.610 -1.840 -11.403 1.00 0.00 C ATOM 328 CG LEU A 22 7.789 -1.837 -12.934 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.065 -3.225 -13.511 1.00 0.00 C ATOM 330 CD2 LEU A 22 6.618 -1.191 -13.673 1.00 0.00 C ATOM 0 H LEU A 22 5.403 -1.962 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 22 6.543 -3.752 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.185 -0.879 -11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.600 -1.899 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 22 8.674 -1.223 -13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.181 -3.153 -14.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.980 -3.625 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.231 -3.888 -13.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.805 -1.220 -14.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.701 -1.736 -13.449 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.512 -0.155 -13.351 1.00 0.00 H new ATOM 342 N ARG A 23 7.257 -3.107 -8.346 1.00 0.00 N ATOM 343 CA ARG A 23 8.005 -3.650 -7.212 1.00 0.00 C ATOM 344 C ARG A 23 7.613 -5.098 -6.999 1.00 0.00 C ATOM 345 O ARG A 23 8.321 -6.039 -7.350 1.00 0.00 O ATOM 346 CB ARG A 23 7.854 -2.811 -5.916 1.00 0.00 C ATOM 347 CG ARG A 23 8.218 -1.321 -5.992 1.00 0.00 C ATOM 348 CD ARG A 23 9.637 -1.178 -6.513 1.00 0.00 C ATOM 349 NE ARG A 23 10.084 0.223 -6.602 1.00 0.00 N ATOM 350 CZ ARG A 23 10.435 1.051 -5.610 1.00 0.00 C ATOM 351 NH1 ARG A 23 10.414 0.679 -4.335 1.00 0.00 N ATOM 352 NH2 ARG A 23 10.802 2.283 -5.921 1.00 0.00 N ATOM 0 H ARG A 23 6.563 -2.400 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 23 9.066 -3.597 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.819 -2.888 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.472 -3.270 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.523 -0.798 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.132 -0.863 -5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.314 -1.728 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.703 -1.637 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 23 10.132 0.614 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.123 -0.266 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.689 1.338 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.813 2.581 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.074 2.935 -5.185 1.00 0.00 H new ATOM 366 N VAL A 24 6.484 -5.227 -6.341 1.00 0.00 N ATOM 367 CA VAL A 24 5.846 -6.434 -5.919 1.00 0.00 C ATOM 368 C VAL A 24 5.384 -7.107 -7.196 1.00 0.00 C ATOM 369 O VAL A 24 4.845 -6.470 -8.105 1.00 0.00 O ATOM 370 CB VAL A 24 4.679 -6.063 -5.003 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.805 -7.262 -4.647 1.00 0.00 C ATOM 372 CG2 VAL A 24 5.105 -5.327 -3.734 1.00 0.00 C ATOM 0 H VAL A 24 5.945 -4.406 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 24 6.495 -7.105 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 24 4.083 -5.368 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.993 -6.940 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.390 -7.693 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.407 -8.011 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.225 -5.097 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.782 -5.957 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.613 -4.401 -4.004 1.00 0.00 H new ATOM 382 N GLU A 25 5.645 -8.394 -7.237 1.00 0.00 N ATOM 383 CA GLU A 25 5.480 -9.218 -8.421 1.00 0.00 C ATOM 384 C GLU A 25 4.395 -10.286 -8.244 1.00 0.00 C ATOM 385 O GLU A 25 4.170 -10.789 -7.141 1.00 0.00 O ATOM 386 CB GLU A 25 6.834 -9.810 -8.854 1.00 0.00 C ATOM 387 CG GLU A 25 7.200 -9.516 -10.318 1.00 0.00 C ATOM 388 CD GLU A 25 6.051 -9.827 -11.274 1.00 0.00 C ATOM 389 OE1 GLU A 25 5.834 -11.011 -11.607 1.00 0.00 O ATOM 390 OE2 GLU A 25 5.281 -8.882 -11.567 1.00 0.00 O ATOM 0 H GLU A 25 5.987 -8.913 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 25 5.125 -8.579 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.617 -9.414 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.813 -10.889 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.479 -8.467 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.073 -10.106 -10.598 1.00 0.00 H new ATOM 397 N SER A 26 3.801 -10.687 -9.371 1.00 0.00 N ATOM 398 CA SER A 26 2.960 -11.861 -9.534 1.00 0.00 C ATOM 399 C SER A 26 1.659 -11.800 -8.714 1.00 0.00 C ATOM 400 O SER A 26 1.253 -10.736 -8.236 1.00 0.00 O ATOM 401 CB SER A 26 3.832 -13.105 -9.292 1.00 0.00 C ATOM 402 OG SER A 26 3.480 -14.134 -10.195 1.00 0.00 O ATOM 0 H SER A 26 3.905 -10.166 -10.241 1.00 0.00 H new ATOM 0 HA SER A 26 2.578 -11.910 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.884 -12.849 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.705 -13.453 -8.267 1.00 0.00 H new ATOM 0 HG SER A 26 4.043 -14.919 -10.032 1.00 0.00 H new ATOM 408 N SER A 27 0.915 -12.914 -8.663 1.00 0.00 N ATOM 409 CA SER A 27 -0.390 -12.965 -8.000 1.00 0.00 C ATOM 410 C SER A 27 -0.282 -13.044 -6.465 1.00 0.00 C ATOM 411 O SER A 27 -1.182 -12.557 -5.790 1.00 0.00 O ATOM 412 CB SER A 27 -1.219 -14.126 -8.562 1.00 0.00 C ATOM 413 OG SER A 27 -1.390 -13.976 -9.966 1.00 0.00 O ATOM 0 H SER A 27 1.202 -13.800 -9.079 1.00 0.00 H new ATOM 0 HA SER A 27 -0.900 -12.026 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.723 -15.073 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.192 -14.158 -8.072 1.00 0.00 H new ATOM 0 HG SER A 27 -1.919 -14.724 -10.313 1.00 0.00 H new ATOM 419 N SER A 28 0.814 -13.627 -5.945 1.00 0.00 N ATOM 420 CA SER A 28 1.354 -13.519 -4.586 1.00 0.00 C ATOM 421 C SER A 28 0.309 -13.140 -3.509 1.00 0.00 C ATOM 422 O SER A 28 0.306 -12.016 -3.004 1.00 0.00 O ATOM 423 CB SER A 28 2.585 -12.583 -4.650 1.00 0.00 C ATOM 424 OG SER A 28 3.594 -12.948 -3.721 1.00 0.00 O ATOM 0 H SER A 28 1.392 -14.239 -6.520 1.00 0.00 H new ATOM 0 HA SER A 28 1.669 -14.504 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.000 -12.602 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.269 -11.558 -4.454 1.00 0.00 H new ATOM 0 HG SER A 28 3.756 -12.204 -3.104 1.00 0.00 H new ATOM 430 N LYS A 29 -0.586 -14.061 -3.120 1.00 0.00 N ATOM 431 CA LYS A 29 -1.640 -13.780 -2.129 1.00 0.00 C ATOM 432 C LYS A 29 -1.105 -13.291 -0.779 1.00 0.00 C ATOM 433 O LYS A 29 -1.859 -12.665 -0.028 1.00 0.00 O ATOM 434 CB LYS A 29 -2.565 -14.997 -1.940 1.00 0.00 C ATOM 435 CG LYS A 29 -3.699 -15.025 -2.977 1.00 0.00 C ATOM 436 CD LYS A 29 -4.823 -14.034 -2.609 1.00 0.00 C ATOM 437 CE LYS A 29 -5.332 -13.263 -3.829 1.00 0.00 C ATOM 438 NZ LYS A 29 -6.286 -14.048 -4.636 1.00 0.00 N ATOM 0 H LYS A 29 -0.601 -15.015 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.219 -12.954 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.979 -15.913 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.991 -14.976 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.301 -14.777 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.108 -16.033 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.650 -14.578 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.455 -13.330 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.812 -12.342 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.485 -12.975 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.601 -13.482 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.822 -14.915 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.108 -14.302 -4.052 1.00 0.00 H new ATOM 452 N LEU A 30 0.170 -13.529 -0.480 1.00 0.00 N ATOM 453 CA LEU A 30 0.941 -12.877 0.566 1.00 0.00 C ATOM 454 C LEU A 30 0.758 -11.358 0.510 1.00 0.00 C ATOM 455 O LEU A 30 0.261 -10.752 1.453 1.00 0.00 O ATOM 456 CB LEU A 30 2.408 -13.286 0.368 1.00 0.00 C ATOM 457 CG LEU A 30 3.397 -12.572 1.299 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.103 -12.856 2.771 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.808 -13.037 0.948 1.00 0.00 C ATOM 0 H LEU A 30 0.719 -14.220 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 30 0.600 -13.187 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.496 -14.362 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.692 -13.086 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 30 3.299 -11.496 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.827 -12.331 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.098 -12.512 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.174 -13.928 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.527 -12.540 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.880 -14.116 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.026 -12.787 -0.090 1.00 0.00 H new ATOM 471 N TRP A 31 1.140 -10.739 -0.605 1.00 0.00 N ATOM 472 CA TRP A 31 0.997 -9.309 -0.830 1.00 0.00 C ATOM 473 C TRP A 31 -0.479 -8.908 -0.815 1.00 0.00 C ATOM 474 O TRP A 31 -0.850 -7.909 -0.190 1.00 0.00 O ATOM 475 CB TRP A 31 1.702 -8.936 -2.139 1.00 0.00 C ATOM 476 CG TRP A 31 1.017 -7.916 -2.990 1.00 0.00 C ATOM 477 CD1 TRP A 31 0.965 -6.581 -2.785 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.279 -8.162 -4.215 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.306 -5.990 -3.845 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.167 -6.923 -4.740 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.061 -9.321 -4.928 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.937 -6.849 -5.909 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.826 -9.258 -6.101 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.266 -8.020 -6.592 1.00 0.00 C ATOM 0 H TRP A 31 1.566 -11.231 -1.391 1.00 0.00 H new ATOM 0 HA TRP A 31 1.473 -8.751 -0.024 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.699 -8.567 -1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.831 -9.843 -2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.373 -6.061 -1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.184 -4.983 -3.952 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.274 -10.282 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.273 -5.892 -6.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.078 -10.166 -6.629 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.857 -7.974 -7.495 1.00 0.00 H new ATOM 495 N ALA A 32 -1.323 -9.677 -1.506 1.00 0.00 N ATOM 496 CA ALA A 32 -2.742 -9.388 -1.659 1.00 0.00 C ATOM 497 C ALA A 32 -3.457 -9.252 -0.302 1.00 0.00 C ATOM 498 O ALA A 32 -4.437 -8.507 -0.214 1.00 0.00 O ATOM 499 CB ALA A 32 -3.414 -10.457 -2.516 1.00 0.00 C ATOM 0 H ALA A 32 -1.030 -10.531 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.825 -8.425 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.474 -10.226 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.949 -10.479 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.300 -11.430 -2.039 1.00 0.00 H new ATOM 505 N GLN A 33 -2.979 -9.914 0.760 1.00 0.00 N ATOM 506 CA GLN A 33 -3.409 -9.773 2.135 1.00 0.00 C ATOM 507 C GLN A 33 -3.382 -8.325 2.632 1.00 0.00 C ATOM 508 O GLN A 33 -4.220 -7.932 3.438 1.00 0.00 O ATOM 509 CB GLN A 33 -2.421 -10.593 2.964 1.00 0.00 C ATOM 510 CG GLN A 33 -3.056 -11.052 4.261 1.00 0.00 C ATOM 511 CD GLN A 33 -2.033 -11.642 5.226 1.00 0.00 C ATOM 512 OE1 GLN A 33 -0.825 -11.487 5.059 1.00 0.00 O ATOM 513 NE2 GLN A 33 -2.463 -12.348 6.251 1.00 0.00 N ATOM 0 H GLN A 33 -2.234 -10.604 0.663 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.442 -10.108 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.089 -11.458 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.536 -9.995 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.557 -10.209 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.821 -11.797 4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.464 -12.480 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.795 -12.763 6.901 1.00 0.00 H new ATOM 522 N CYS A 34 -2.422 -7.530 2.166 1.00 0.00 N ATOM 523 CA CYS A 34 -2.344 -6.115 2.479 1.00 0.00 C ATOM 524 C CYS A 34 -3.162 -5.313 1.493 1.00 0.00 C ATOM 525 O CYS A 34 -3.734 -4.284 1.856 1.00 0.00 O ATOM 526 CB CYS A 34 -0.879 -5.698 2.472 1.00 0.00 C ATOM 527 SG CYS A 34 0.050 -6.671 3.689 1.00 0.00 S ATOM 0 H CYS A 34 -1.673 -7.857 1.556 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.760 -5.922 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.456 -5.844 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.794 -4.636 2.702 1.00 0.00 H new ATOM 0 HG CYS A 34 1.156 -6.055 3.984 1.00 0.00 H new ATOM 533 N VAL A 35 -3.294 -5.799 0.259 1.00 0.00 N ATOM 534 CA VAL A 35 -4.095 -5.085 -0.703 1.00 0.00 C ATOM 535 C VAL A 35 -5.548 -5.017 -0.204 1.00 0.00 C ATOM 536 O VAL A 35 -6.127 -3.936 -0.240 1.00 0.00 O ATOM 537 CB VAL A 35 -3.973 -5.670 -2.121 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.688 -4.787 -3.149 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.512 -5.737 -2.563 1.00 0.00 C ATOM 0 H VAL A 35 -2.866 -6.660 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.716 -4.067 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.420 -6.663 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.584 -5.226 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.745 -4.714 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.244 -3.791 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.455 -6.154 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.085 -4.734 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.952 -6.371 -1.875 1.00 0.00 H new ATOM 549 N GLN A 36 -6.123 -6.091 0.342 1.00 0.00 N ATOM 550 CA GLN A 36 -7.497 -6.064 0.860 1.00 0.00 C ATOM 551 C GLN A 36 -7.716 -5.001 1.958 1.00 0.00 C ATOM 552 O GLN A 36 -8.839 -4.526 2.123 1.00 0.00 O ATOM 553 CB GLN A 36 -7.929 -7.457 1.353 1.00 0.00 C ATOM 554 CG GLN A 36 -6.950 -8.058 2.367 1.00 0.00 C ATOM 555 CD GLN A 36 -7.551 -9.157 3.231 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.211 -10.071 2.744 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.322 -9.129 4.531 1.00 0.00 N ATOM 0 H GLN A 36 -5.658 -6.994 0.438 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.131 -5.774 0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.917 -7.386 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.018 -8.128 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.090 -8.460 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.579 -7.263 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.774 -8.370 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.693 -9.866 5.130 1.00 0.00 H new ATOM 566 N LEU A 37 -6.679 -4.597 2.699 1.00 0.00 N ATOM 567 CA LEU A 37 -6.750 -3.575 3.731 1.00 0.00 C ATOM 568 C LEU A 37 -6.537 -2.186 3.154 1.00 0.00 C ATOM 569 O LEU A 37 -7.133 -1.247 3.674 1.00 0.00 O ATOM 570 CB LEU A 37 -5.743 -3.890 4.855 1.00 0.00 C ATOM 571 CG LEU A 37 -6.407 -4.367 6.160 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.090 -3.219 6.902 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.450 -5.469 5.938 1.00 0.00 C ATOM 0 H LEU A 37 -5.743 -4.988 2.589 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.752 -3.584 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.051 -4.657 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.152 -2.998 5.063 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.588 -4.770 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.546 -3.597 7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.352 -2.457 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.860 -2.782 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.880 -5.761 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.239 -5.097 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.973 -6.333 5.476 1.00 0.00 H new ATOM 585 N HIS A 38 -5.816 -2.020 2.036 1.00 0.00 N ATOM 586 CA HIS A 38 -5.776 -0.711 1.376 1.00 0.00 C ATOM 587 C HIS A 38 -7.203 -0.197 1.102 1.00 0.00 C ATOM 588 O HIS A 38 -7.425 1.006 1.167 1.00 0.00 O ATOM 589 CB HIS A 38 -4.898 -0.698 0.128 1.00 0.00 C ATOM 590 CG HIS A 38 -5.626 -0.725 -1.200 1.00 0.00 C ATOM 591 ND1 HIS A 38 -6.049 -1.850 -1.865 1.00 0.00 N ATOM 592 CD2 HIS A 38 -6.030 0.359 -1.935 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.699 -1.471 -2.968 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.716 -0.127 -3.029 1.00 0.00 N ATOM 0 H HIS A 38 -5.269 -2.752 1.582 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.298 -0.015 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.272 0.194 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.229 -1.558 0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.893 -2.813 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.846 1.397 -1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.140 -2.137 -3.695 1.00 0.00 H new ATOM 603 N ASN A 39 -8.154 -1.111 0.834 1.00 0.00 N ATOM 604 CA ASN A 39 -9.566 -0.818 0.570 1.00 0.00 C ATOM 605 C ASN A 39 -10.325 -0.289 1.790 1.00 0.00 C ATOM 606 O ASN A 39 -11.375 0.327 1.661 1.00 0.00 O ATOM 607 CB ASN A 39 -10.281 -2.076 0.039 1.00 0.00 C ATOM 608 CG ASN A 39 -11.785 -1.857 -0.158 1.00 0.00 C ATOM 609 OD1 ASN A 39 -12.192 -1.085 -1.013 1.00 0.00 O ATOM 610 ND2 ASN A 39 -12.640 -2.513 0.610 1.00 0.00 N ATOM 0 H ASN A 39 -7.948 -2.109 0.795 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.570 -0.025 -0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.833 -2.372 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.125 -2.900 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.643 -2.375 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.296 -3.157 1.323 1.00 0.00 H new ATOM 617 N ASP A 40 -9.842 -0.535 2.999 1.00 0.00 N ATOM 618 CA ASP A 40 -10.333 0.072 4.211 1.00 0.00 C ATOM 619 C ASP A 40 -9.689 1.451 4.300 1.00 0.00 C ATOM 620 O ASP A 40 -10.372 2.464 4.432 1.00 0.00 O ATOM 621 CB ASP A 40 -9.943 -0.845 5.381 1.00 0.00 C ATOM 622 CG ASP A 40 -11.074 -1.795 5.758 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.430 -2.665 4.928 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.575 -1.726 6.902 1.00 0.00 O ATOM 0 H ASP A 40 -9.073 -1.185 3.160 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.416 0.193 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.059 -1.422 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.676 -0.237 6.245 1.00 0.00 H new ATOM 629 N ILE A 41 -8.362 1.494 4.204 1.00 0.00 N ATOM 630 CA ILE A 41 -7.543 2.657 4.436 1.00 0.00 C ATOM 631 C ILE A 41 -7.990 3.904 3.654 1.00 0.00 C ATOM 632 O ILE A 41 -7.737 4.977 4.178 1.00 0.00 O ATOM 633 CB ILE A 41 -6.059 2.268 4.218 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.402 1.661 5.491 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.216 3.497 3.937 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.839 0.270 5.943 1.00 0.00 C ATOM 0 H ILE A 41 -7.813 0.673 3.949 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.669 2.973 5.471 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.081 1.554 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.325 1.633 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.581 2.349 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.178 3.200 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.584 3.993 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.279 4.182 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.290 -0.010 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.908 0.276 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.632 -0.451 5.152 1.00 0.00 H new ATOM 648 N LEU A 42 -8.657 3.847 2.488 1.00 0.00 N ATOM 649 CA LEU A 42 -8.998 5.057 1.723 1.00 0.00 C ATOM 650 C LEU A 42 -9.700 6.121 2.567 1.00 0.00 C ATOM 651 O LEU A 42 -9.512 7.303 2.285 1.00 0.00 O ATOM 652 CB LEU A 42 -9.927 4.773 0.530 1.00 0.00 C ATOM 653 CG LEU A 42 -9.402 3.939 -0.647 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.893 4.056 -0.884 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.815 2.485 -0.478 1.00 0.00 C ATOM 0 H LEU A 42 -8.970 2.977 2.056 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.030 5.419 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.814 4.272 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.252 5.734 0.132 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.862 4.356 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.609 3.435 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.637 5.095 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.358 3.722 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.439 1.900 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.400 2.095 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.902 2.417 -0.447 1.00 0.00 H new ATOM 667 N LEU A 43 -10.468 5.737 3.593 1.00 0.00 N ATOM 668 CA LEU A 43 -11.117 6.683 4.508 1.00 0.00 C ATOM 669 C LEU A 43 -10.539 6.481 5.897 1.00 0.00 C ATOM 670 O LEU A 43 -11.273 6.280 6.869 1.00 0.00 O ATOM 671 CB LEU A 43 -12.654 6.576 4.411 1.00 0.00 C ATOM 672 CG LEU A 43 -13.317 7.709 3.610 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.600 8.014 2.296 1.00 0.00 C ATOM 674 CD2 LEU A 43 -14.768 7.298 3.375 1.00 0.00 C ATOM 0 H LEU A 43 -10.657 4.759 3.813 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.907 7.716 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.912 5.622 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.070 6.567 5.418 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.259 8.638 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.117 8.822 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.573 8.314 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.598 7.124 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.279 8.076 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.795 6.363 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.267 7.161 4.334 1.00 0.00 H new ATOM 686 N ALA A 44 -9.210 6.508 5.983 1.00 0.00 N ATOM 687 CA ALA A 44 -8.528 6.312 7.259 1.00 0.00 C ATOM 688 C ALA A 44 -8.651 7.599 8.070 1.00 0.00 C ATOM 689 O ALA A 44 -9.211 7.607 9.171 1.00 0.00 O ATOM 690 CB ALA A 44 -7.063 5.914 7.052 1.00 0.00 C ATOM 0 H ALA A 44 -8.588 6.663 5.189 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.995 5.492 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.583 5.776 8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.015 4.983 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.547 6.700 6.501 1.00 0.00 H new ATOM 696 N LYS A 45 -8.155 8.704 7.512 1.00 0.00 N ATOM 697 CA LYS A 45 -8.070 9.977 8.208 1.00 0.00 C ATOM 698 C LYS A 45 -8.590 11.097 7.336 1.00 0.00 C ATOM 699 O LYS A 45 -9.546 11.770 7.712 1.00 0.00 O ATOM 700 CB LYS A 45 -6.633 10.179 8.708 1.00 0.00 C ATOM 701 CG LYS A 45 -6.436 11.489 9.484 1.00 0.00 C ATOM 702 CD LYS A 45 -7.181 11.469 10.825 1.00 0.00 C ATOM 703 CE LYS A 45 -7.175 12.842 11.494 1.00 0.00 C ATOM 704 NZ LYS A 45 -7.806 12.767 12.826 1.00 0.00 N ATOM 0 H LYS A 45 -7.800 8.735 6.556 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.713 9.981 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.358 9.341 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.954 10.165 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.373 11.652 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.791 12.326 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.210 11.146 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.717 10.739 11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.151 13.203 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.709 13.560 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.795 13.708 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.789 12.443 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.279 12.097 13.422 1.00 0.00 H new ATOM 718 N ASP A 46 -7.966 11.271 6.189 1.00 0.00 N ATOM 719 CA ASP A 46 -8.386 12.124 5.089 1.00 0.00 C ATOM 720 C ASP A 46 -7.728 11.526 3.846 1.00 0.00 C ATOM 721 O ASP A 46 -6.831 10.696 3.981 1.00 0.00 O ATOM 722 CB ASP A 46 -7.940 13.574 5.309 1.00 0.00 C ATOM 723 CG ASP A 46 -8.855 14.546 4.574 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.145 14.325 3.381 1.00 0.00 O ATOM 725 OD2 ASP A 46 -9.332 15.532 5.185 1.00 0.00 O ATOM 0 H ASP A 46 -7.091 10.788 5.984 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.471 12.158 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.944 13.801 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.915 13.700 4.960 1.00 0.00 H new ATOM 730 N THR A 47 -8.145 11.903 2.645 1.00 0.00 N ATOM 731 CA THR A 47 -7.795 11.245 1.391 1.00 0.00 C ATOM 732 C THR A 47 -6.288 11.275 1.074 1.00 0.00 C ATOM 733 O THR A 47 -5.830 10.421 0.310 1.00 0.00 O ATOM 734 CB THR A 47 -8.685 11.865 0.296 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.039 11.568 0.623 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.445 11.345 -1.122 1.00 0.00 C ATOM 0 H THR A 47 -8.760 12.706 2.511 1.00 0.00 H new ATOM 0 HA THR A 47 -7.992 10.175 1.460 1.00 0.00 H new ATOM 0 HB THR A 47 -8.443 12.928 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.631 11.952 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.123 11.846 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.414 11.547 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.627 10.271 -1.151 1.00 0.00 H new ATOM 744 N THR A 48 -5.509 12.185 1.658 1.00 0.00 N ATOM 745 CA THR A 48 -4.055 12.124 1.601 1.00 0.00 C ATOM 746 C THR A 48 -3.587 11.103 2.643 1.00 0.00 C ATOM 747 O THR A 48 -3.147 10.015 2.276 1.00 0.00 O ATOM 748 CB THR A 48 -3.477 13.539 1.761 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.019 14.346 0.732 1.00 0.00 O ATOM 750 CG2 THR A 48 -1.953 13.570 1.656 1.00 0.00 C ATOM 0 H THR A 48 -5.870 12.982 2.182 1.00 0.00 H new ATOM 0 HA THR A 48 -3.684 11.777 0.637 1.00 0.00 H new ATOM 0 HB THR A 48 -3.740 13.904 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.667 15.257 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.601 14.594 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.522 12.944 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.648 13.194 0.679 1.00 0.00 H new ATOM 758 N GLU A 49 -3.756 11.406 3.931 1.00 0.00 N ATOM 759 CA GLU A 49 -3.259 10.665 5.091 1.00 0.00 C ATOM 760 C GLU A 49 -3.611 9.170 5.050 1.00 0.00 C ATOM 761 O GLU A 49 -2.878 8.331 5.571 1.00 0.00 O ATOM 762 CB GLU A 49 -3.876 11.292 6.358 1.00 0.00 C ATOM 763 CG GLU A 49 -3.290 12.638 6.818 1.00 0.00 C ATOM 764 CD GLU A 49 -3.563 13.864 5.924 1.00 0.00 C ATOM 765 OE1 GLU A 49 -4.444 13.829 5.038 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.901 14.911 6.134 1.00 0.00 O ATOM 0 H GLU A 49 -4.281 12.235 4.211 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.171 10.733 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.944 11.427 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.773 10.579 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.677 12.853 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.210 12.522 6.913 1.00 0.00 H new ATOM 773 N ALA A 50 -4.750 8.858 4.445 1.00 0.00 N ATOM 774 CA ALA A 50 -5.298 7.569 4.109 1.00 0.00 C ATOM 775 C ALA A 50 -4.456 6.885 3.063 1.00 0.00 C ATOM 776 O ALA A 50 -3.807 5.891 3.362 1.00 0.00 O ATOM 777 CB ALA A 50 -6.719 7.770 3.569 1.00 0.00 C ATOM 0 H ALA A 50 -5.381 9.601 4.146 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.312 6.942 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.150 6.803 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.334 8.248 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.685 8.402 2.682 1.00 0.00 H new ATOM 783 N PHE A 51 -4.519 7.355 1.823 1.00 0.00 N ATOM 784 CA PHE A 51 -3.815 6.693 0.737 1.00 0.00 C ATOM 785 C PHE A 51 -2.321 6.533 1.069 1.00 0.00 C ATOM 786 O PHE A 51 -1.773 5.492 0.743 1.00 0.00 O ATOM 787 CB PHE A 51 -4.066 7.380 -0.616 1.00 0.00 C ATOM 788 CG PHE A 51 -2.791 7.866 -1.283 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.002 6.951 -2.004 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.294 9.157 -1.036 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.741 7.324 -2.494 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.025 9.527 -1.515 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.243 8.607 -2.232 1.00 0.00 C ATOM 0 H PHE A 51 -5.046 8.184 1.548 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.222 5.687 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.574 6.683 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.737 8.226 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.371 5.952 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.887 9.866 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.156 6.624 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.650 10.523 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.740 8.888 -2.581 1.00 0.00 H new ATOM 803 N GLU A 52 -1.697 7.481 1.769 1.00 0.00 N ATOM 804 CA GLU A 52 -0.322 7.449 2.287 1.00 0.00 C ATOM 805 C GLU A 52 -0.162 6.362 3.368 1.00 0.00 C ATOM 806 O GLU A 52 0.816 5.614 3.368 1.00 0.00 O ATOM 807 CB GLU A 52 -0.065 8.870 2.828 1.00 0.00 C ATOM 808 CG GLU A 52 0.091 9.816 1.619 1.00 0.00 C ATOM 809 CD GLU A 52 0.949 11.058 1.835 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.862 11.735 2.881 1.00 0.00 O ATOM 811 OE2 GLU A 52 1.665 11.426 0.874 1.00 0.00 O ATOM 0 H GLU A 52 -2.169 8.353 2.007 1.00 0.00 H new ATOM 0 HA GLU A 52 0.407 7.188 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.892 9.193 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.834 8.887 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.516 9.247 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.903 10.137 1.307 1.00 0.00 H new ATOM 818 N LYS A 53 -1.164 6.112 4.207 1.00 0.00 N ATOM 819 CA LYS A 53 -1.190 4.870 4.980 1.00 0.00 C ATOM 820 C LYS A 53 -1.191 3.668 4.023 1.00 0.00 C ATOM 821 O LYS A 53 -0.508 2.688 4.302 1.00 0.00 O ATOM 822 CB LYS A 53 -2.395 4.861 5.942 1.00 0.00 C ATOM 823 CG LYS A 53 -2.047 4.509 7.392 1.00 0.00 C ATOM 824 CD LYS A 53 -1.811 3.013 7.625 1.00 0.00 C ATOM 825 CE LYS A 53 -1.743 2.782 9.139 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.580 1.358 9.486 1.00 0.00 N ATOM 0 H LYS A 53 -1.954 6.737 4.368 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.295 4.799 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.866 5.844 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.132 4.147 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.152 5.058 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.855 4.846 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.617 2.426 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.885 2.693 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.911 3.351 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.652 3.164 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.539 1.255 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.386 0.816 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.699 0.997 9.067 1.00 0.00 H new ATOM 840 N MET A 54 -1.930 3.709 2.906 1.00 0.00 N ATOM 841 CA MET A 54 -2.257 2.554 2.062 1.00 0.00 C ATOM 842 C MET A 54 -1.048 2.103 1.238 1.00 0.00 C ATOM 843 O MET A 54 -1.000 0.965 0.769 1.00 0.00 O ATOM 844 CB MET A 54 -3.468 2.820 1.136 1.00 0.00 C ATOM 845 CG MET A 54 -3.174 2.987 -0.362 1.00 0.00 C ATOM 846 SD MET A 54 -4.510 3.664 -1.377 1.00 0.00 S ATOM 847 CE MET A 54 -3.717 3.652 -3.009 1.00 0.00 C ATOM 0 H MET A 54 -2.330 4.579 2.554 1.00 0.00 H new ATOM 0 HA MET A 54 -2.536 1.749 2.742 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.172 1.996 1.254 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.971 3.722 1.486 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.303 3.634 -0.469 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.899 2.013 -0.766 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.025 4.534 -3.570 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.634 3.660 -2.887 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.015 2.755 -3.552 1.00 0.00 H new ATOM 857 N VAL A 55 -0.119 3.019 1.012 1.00 0.00 N ATOM 858 CA VAL A 55 1.181 2.799 0.417 1.00 0.00 C ATOM 859 C VAL A 55 2.076 2.149 1.481 1.00 0.00 C ATOM 860 O VAL A 55 2.704 1.128 1.177 1.00 0.00 O ATOM 861 CB VAL A 55 1.656 4.134 -0.235 1.00 0.00 C ATOM 862 CG1 VAL A 55 0.935 4.316 -1.578 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.521 5.374 0.570 1.00 0.00 C ATOM 0 H VAL A 55 -0.267 3.998 1.257 1.00 0.00 H new ATOM 0 HA VAL A 55 1.194 2.093 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 55 2.734 4.012 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.260 5.247 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.174 3.480 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.142 4.350 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.889 6.223 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.472 5.533 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.103 5.278 1.487 1.00 0.00 H new ATOM 873 N SER A 56 2.040 2.628 2.734 1.00 0.00 N ATOM 874 CA SER A 56 2.976 2.188 3.762 1.00 0.00 C ATOM 875 C SER A 56 2.927 0.682 4.024 1.00 0.00 C ATOM 876 O SER A 56 3.966 0.019 3.995 1.00 0.00 O ATOM 877 CB SER A 56 2.846 3.036 5.037 1.00 0.00 C ATOM 878 OG SER A 56 1.692 2.697 5.790 1.00 0.00 O ATOM 0 H SER A 56 1.366 3.324 3.054 1.00 0.00 H new ATOM 0 HA SER A 56 3.978 2.361 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.734 2.899 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.805 4.091 4.767 1.00 0.00 H new ATOM 0 HG SER A 56 0.968 2.442 5.181 1.00 0.00 H new ATOM 884 N LEU A 57 1.714 0.130 4.179 1.00 0.00 N ATOM 885 CA LEU A 57 1.460 -1.303 4.370 1.00 0.00 C ATOM 886 C LEU A 57 2.191 -2.153 3.351 1.00 0.00 C ATOM 887 O LEU A 57 2.667 -3.232 3.691 1.00 0.00 O ATOM 888 CB LEU A 57 -0.031 -1.692 4.311 1.00 0.00 C ATOM 889 CG LEU A 57 -0.954 -0.835 3.413 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.731 -1.649 2.364 1.00 0.00 C ATOM 891 CD2 LEU A 57 -2.041 -0.207 4.281 1.00 0.00 C ATOM 0 H LEU A 57 0.859 0.686 4.175 1.00 0.00 H new ATOM 0 HA LEU A 57 1.832 -1.498 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.096 -2.726 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.427 -1.664 5.326 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.295 -0.122 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.356 -0.979 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.028 -2.162 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.361 -2.383 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.698 0.400 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.622 -0.994 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.580 0.422 5.043 1.00 0.00 H new ATOM 903 N LEU A 58 2.222 -1.718 2.094 1.00 0.00 N ATOM 904 CA LEU A 58 2.965 -2.477 1.082 1.00 0.00 C ATOM 905 C LEU A 58 4.482 -2.296 1.191 1.00 0.00 C ATOM 906 O LEU A 58 5.229 -3.261 1.016 1.00 0.00 O ATOM 907 CB LEU A 58 2.458 -2.197 -0.332 1.00 0.00 C ATOM 908 CG LEU A 58 0.993 -2.616 -0.559 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.768 -2.843 -2.050 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.537 -3.890 0.169 1.00 0.00 C ATOM 0 H LEU A 58 1.760 -0.874 1.755 1.00 0.00 H new ATOM 0 HA LEU A 58 2.770 -3.528 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.558 -1.132 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.092 -2.722 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 58 0.405 -1.797 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.267 -3.140 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.975 -1.921 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.434 -3.630 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.509 -4.088 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.147 -4.733 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.650 -3.755 1.245 1.00 0.00 H new ATOM 922 N SER A 59 4.955 -1.096 1.502 1.00 0.00 N ATOM 923 CA SER A 59 6.376 -0.792 1.659 1.00 0.00 C ATOM 924 C SER A 59 7.029 -1.514 2.847 1.00 0.00 C ATOM 925 O SER A 59 8.225 -1.812 2.793 1.00 0.00 O ATOM 926 CB SER A 59 6.501 0.731 1.743 1.00 0.00 C ATOM 927 OG SER A 59 5.998 1.276 0.535 1.00 0.00 O ATOM 0 H SER A 59 4.351 -0.289 1.656 1.00 0.00 H new ATOM 0 HA SER A 59 6.931 -1.170 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.941 1.113 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.542 1.021 1.888 1.00 0.00 H new ATOM 0 HG SER A 59 6.065 2.253 0.564 1.00 0.00 H new ATOM 933 N VAL A 60 6.254 -1.884 3.865 1.00 0.00 N ATOM 934 CA VAL A 60 6.670 -2.684 5.025 1.00 0.00 C ATOM 935 C VAL A 60 6.399 -4.190 4.810 1.00 0.00 C ATOM 936 O VAL A 60 6.737 -5.022 5.656 1.00 0.00 O ATOM 937 CB VAL A 60 6.010 -2.085 6.291 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.503 -2.358 6.328 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.640 -2.555 7.610 1.00 0.00 C ATOM 0 H VAL A 60 5.269 -1.623 3.909 1.00 0.00 H new ATOM 0 HA VAL A 60 7.750 -2.631 5.160 1.00 0.00 H new ATOM 0 HB VAL A 60 6.191 -1.013 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.076 -1.922 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.031 -1.913 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.328 -3.434 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.120 -2.090 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.556 -3.639 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.692 -2.270 7.633 1.00 0.00 H new ATOM 949 N LEU A 61 5.806 -4.572 3.676 1.00 0.00 N ATOM 950 CA LEU A 61 5.431 -5.942 3.316 1.00 0.00 C ATOM 951 C LEU A 61 6.373 -6.504 2.259 1.00 0.00 C ATOM 952 O LEU A 61 6.582 -7.714 2.234 1.00 0.00 O ATOM 953 CB LEU A 61 3.956 -5.910 2.883 1.00 0.00 C ATOM 954 CG LEU A 61 3.330 -6.935 1.921 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.834 -6.766 0.483 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.386 -8.384 2.409 1.00 0.00 C ATOM 0 H LEU A 61 5.562 -3.901 2.948 1.00 0.00 H new ATOM 0 HA LEU A 61 5.530 -6.622 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.367 -5.949 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.788 -4.929 2.438 1.00 0.00 H new ATOM 0 HG LEU A 61 2.266 -6.700 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.363 -7.512 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.582 -5.768 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.916 -6.897 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.922 -9.036 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.425 -8.680 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.850 -8.470 3.354 1.00 0.00 H new ATOM 968 N LEU A 62 6.999 -5.669 1.423 1.00 0.00 N ATOM 969 CA LEU A 62 7.933 -6.120 0.397 1.00 0.00 C ATOM 970 C LEU A 62 9.016 -7.011 1.002 1.00 0.00 C ATOM 971 O LEU A 62 9.470 -7.938 0.342 1.00 0.00 O ATOM 972 CB LEU A 62 8.590 -4.910 -0.286 1.00 0.00 C ATOM 973 CG LEU A 62 7.947 -4.495 -1.613 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.460 -3.112 -2.023 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.326 -5.500 -2.707 1.00 0.00 C ATOM 0 H LEU A 62 6.869 -4.658 1.443 1.00 0.00 H new ATOM 0 HA LEU A 62 7.375 -6.697 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.558 -4.062 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.641 -5.137 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 62 6.864 -4.470 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.001 -2.819 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.202 -2.385 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.543 -3.146 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.867 -5.202 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.410 -5.521 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.971 -6.492 -2.428 1.00 0.00 H new ATOM 987 N SER A 63 9.376 -6.773 2.264 1.00 0.00 N ATOM 988 CA SER A 63 10.398 -7.506 2.995 1.00 0.00 C ATOM 989 C SER A 63 10.129 -9.010 2.920 1.00 0.00 C ATOM 990 O SER A 63 10.924 -9.775 2.366 1.00 0.00 O ATOM 991 CB SER A 63 10.466 -6.995 4.443 1.00 0.00 C ATOM 992 OG SER A 63 11.575 -6.133 4.620 1.00 0.00 O ATOM 0 H SER A 63 8.945 -6.036 2.822 1.00 0.00 H new ATOM 0 HA SER A 63 11.373 -7.334 2.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.546 -6.466 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.543 -7.839 5.128 1.00 0.00 H new ATOM 0 HG SER A 63 11.599 -5.817 5.547 1.00 0.00 H new ATOM 998 N MET A 64 8.973 -9.419 3.435 1.00 0.00 N ATOM 999 CA MET A 64 8.531 -10.801 3.387 1.00 0.00 C ATOM 1000 C MET A 64 8.092 -11.197 1.986 1.00 0.00 C ATOM 1001 O MET A 64 8.090 -12.386 1.679 1.00 0.00 O ATOM 1002 CB MET A 64 7.386 -11.041 4.372 1.00 0.00 C ATOM 1003 CG MET A 64 6.127 -10.229 4.043 1.00 0.00 C ATOM 1004 SD MET A 64 4.722 -10.508 5.159 1.00 0.00 S ATOM 1005 CE MET A 64 5.277 -9.591 6.623 1.00 0.00 C ATOM 0 H MET A 64 8.315 -8.793 3.900 1.00 0.00 H new ATOM 0 HA MET A 64 9.381 -11.421 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.136 -12.102 4.377 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.721 -10.788 5.378 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.381 -9.169 4.061 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.816 -10.465 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.522 -9.664 7.406 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.215 -10.014 6.983 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.428 -8.544 6.361 1.00 0.00 H new ATOM 1015 N GLN A 65 7.695 -10.237 1.142 1.00 0.00 N ATOM 1016 CA GLN A 65 7.329 -10.546 -0.226 1.00 0.00 C ATOM 1017 C GLN A 65 8.549 -11.125 -0.958 1.00 0.00 C ATOM 1018 O GLN A 65 8.378 -11.966 -1.834 1.00 0.00 O ATOM 1019 CB GLN A 65 6.768 -9.307 -0.950 1.00 0.00 C ATOM 1020 CG GLN A 65 5.674 -9.589 -1.996 1.00 0.00 C ATOM 1021 CD GLN A 65 6.188 -10.113 -3.345 1.00 0.00 C ATOM 1022 OE1 GLN A 65 6.540 -9.345 -4.236 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.210 -11.417 -3.568 1.00 0.00 N ATOM 0 H GLN A 65 7.623 -9.250 1.389 1.00 0.00 H new ATOM 0 HA GLN A 65 6.534 -11.292 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.365 -8.623 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.592 -8.791 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.976 -10.317 -1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.113 -8.671 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.920 -12.065 -2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.517 -11.775 -4.473 1.00 0.00 H new ATOM 1032 N GLY A 66 9.756 -10.685 -0.586 1.00 0.00 N ATOM 1033 CA GLY A 66 11.001 -11.026 -1.256 1.00 0.00 C ATOM 1034 C GLY A 66 11.954 -9.838 -1.399 1.00 0.00 C ATOM 1035 O GLY A 66 12.581 -9.701 -2.452 1.00 0.00 O ATOM 0 H GLY A 66 9.890 -10.065 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.500 -11.819 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.776 -11.424 -2.245 1.00 0.00 H new ATOM 1039 N ALA A 67 12.094 -8.988 -0.376 1.00 0.00 N ATOM 1040 CA ALA A 67 13.046 -7.878 -0.358 1.00 0.00 C ATOM 1041 C ALA A 67 13.947 -8.043 0.862 1.00 0.00 C ATOM 1042 O ALA A 67 13.424 -8.171 1.970 1.00 0.00 O ATOM 1043 CB ALA A 67 12.291 -6.540 -0.331 1.00 0.00 C ATOM 0 H ALA A 67 11.538 -9.055 0.476 1.00 0.00 H new ATOM 0 HA ALA A 67 13.662 -7.882 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.007 -5.718 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.662 -6.459 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.667 -6.492 0.562 1.00 0.00 H new ATOM 1049 N VAL A 68 15.276 -8.052 0.719 1.00 0.00 N ATOM 1050 CA VAL A 68 16.131 -8.119 1.906 1.00 0.00 C ATOM 1051 C VAL A 68 16.010 -6.806 2.687 1.00 0.00 C ATOM 1052 O VAL A 68 15.653 -6.838 3.864 1.00 0.00 O ATOM 1053 CB VAL A 68 17.571 -8.579 1.587 1.00 0.00 C ATOM 1054 CG1 VAL A 68 18.408 -7.617 0.737 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.332 -8.898 2.880 1.00 0.00 C ATOM 0 H VAL A 68 15.769 -8.015 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 68 15.779 -8.909 2.569 1.00 0.00 H new ATOM 0 HB VAL A 68 17.434 -9.469 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.399 -8.042 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.919 -7.462 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.502 -6.662 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.344 -9.220 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.376 -8.007 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.817 -9.694 3.418 1.00 0.00 H new ATOM 1065 N ASP A 69 16.209 -5.650 2.047 1.00 0.00 N ATOM 1066 CA ASP A 69 16.326 -4.364 2.732 1.00 0.00 C ATOM 1067 C ASP A 69 15.641 -3.305 1.885 1.00 0.00 C ATOM 1068 O ASP A 69 16.215 -2.796 0.924 1.00 0.00 O ATOM 1069 CB ASP A 69 17.801 -4.020 2.983 1.00 0.00 C ATOM 1070 CG ASP A 69 18.466 -4.928 4.014 1.00 0.00 C ATOM 1071 OD1 ASP A 69 17.825 -5.201 5.066 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.614 -5.341 3.770 1.00 0.00 O ATOM 0 H ASP A 69 16.294 -5.582 1.033 1.00 0.00 H new ATOM 0 HA ASP A 69 15.840 -4.411 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.348 -4.088 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.873 -2.986 3.320 1.00 0.00 H new ATOM 1077 N ILE A 70 14.387 -2.991 2.202 1.00 0.00 N ATOM 1078 CA ILE A 70 13.606 -1.974 1.508 1.00 0.00 C ATOM 1079 C ILE A 70 12.879 -1.055 2.469 1.00 0.00 C ATOM 1080 O ILE A 70 12.425 0.000 2.052 1.00 0.00 O ATOM 1081 CB ILE A 70 12.627 -2.646 0.529 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.098 -1.730 -0.589 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.442 -3.290 1.274 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.226 -1.121 -1.423 1.00 0.00 C ATOM 0 H ILE A 70 13.878 -3.444 2.961 1.00 0.00 H new ATOM 0 HA ILE A 70 14.296 -1.346 0.944 1.00 0.00 H new ATOM 0 HB ILE A 70 13.224 -3.414 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.435 -2.300 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.502 -0.930 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.769 -3.756 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.814 -4.046 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.903 -2.524 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.802 -0.483 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.875 -0.527 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.807 -1.918 -1.887 1.00 0.00 H new ATOM 1096 N ASN A 71 12.750 -1.413 3.748 1.00 0.00 N ATOM 1097 CA ASN A 71 12.177 -0.497 4.724 1.00 0.00 C ATOM 1098 C ASN A 71 13.048 0.752 4.753 1.00 0.00 C ATOM 1099 O ASN A 71 12.595 1.842 4.407 1.00 0.00 O ATOM 1100 CB ASN A 71 12.020 -1.180 6.083 1.00 0.00 C ATOM 1101 CG ASN A 71 10.706 -1.947 6.124 1.00 0.00 C ATOM 1102 OD1 ASN A 71 9.643 -1.345 6.191 1.00 0.00 O ATOM 1103 ND2 ASN A 71 10.738 -3.266 6.019 1.00 0.00 N ATOM 0 H ASN A 71 13.031 -2.318 4.124 1.00 0.00 H new ATOM 0 HA ASN A 71 11.167 -0.198 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.854 -1.859 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.043 -0.436 6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.867 -3.797 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.633 -3.752 5.964 1.00 0.00 H new ATOM 1110 N ARG A 72 14.336 0.586 5.049 1.00 0.00 N ATOM 1111 CA ARG A 72 15.238 1.729 5.140 1.00 0.00 C ATOM 1112 C ARG A 72 15.644 2.282 3.785 1.00 0.00 C ATOM 1113 O ARG A 72 15.859 3.479 3.675 1.00 0.00 O ATOM 1114 CB ARG A 72 16.502 1.353 5.886 1.00 0.00 C ATOM 1115 CG ARG A 72 16.216 0.995 7.347 1.00 0.00 C ATOM 1116 CD ARG A 72 16.118 -0.519 7.546 1.00 0.00 C ATOM 1117 NE ARG A 72 15.356 -0.856 8.755 1.00 0.00 N ATOM 1118 CZ ARG A 72 14.548 -1.903 8.942 1.00 0.00 C ATOM 1119 NH1 ARG A 72 14.532 -2.909 8.073 1.00 0.00 N ATOM 1120 NH2 ARG A 72 13.741 -1.907 9.994 1.00 0.00 N ATOM 0 H ARG A 72 14.773 -0.318 5.228 1.00 0.00 H new ATOM 0 HA ARG A 72 14.680 2.499 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.978 0.506 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.208 2.183 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.006 1.396 7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.284 1.465 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.641 -0.971 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.120 -0.943 7.616 1.00 0.00 H new ATOM 0 HE ARG A 72 15.455 -0.216 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.140 -2.886 7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.911 -3.704 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.745 -1.120 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.116 -2.697 10.155 1.00 0.00 H new ATOM 1134 N LEU A 73 15.779 1.451 2.750 1.00 0.00 N ATOM 1135 CA LEU A 73 16.173 1.919 1.421 1.00 0.00 C ATOM 1136 C LEU A 73 15.017 2.601 0.692 1.00 0.00 C ATOM 1137 O LEU A 73 15.165 3.011 -0.458 1.00 0.00 O ATOM 1138 CB LEU A 73 16.734 0.755 0.588 1.00 0.00 C ATOM 1139 CG LEU A 73 18.160 0.386 1.021 1.00 0.00 C ATOM 1140 CD1 LEU A 73 18.229 -0.301 2.390 1.00 0.00 C ATOM 1141 CD2 LEU A 73 18.787 -0.520 -0.040 1.00 0.00 C ATOM 0 H LEU A 73 15.620 0.445 2.808 1.00 0.00 H new ATOM 0 HA LEU A 73 16.956 2.666 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.085 -0.114 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.733 1.028 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 73 18.713 1.320 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.267 -0.532 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.820 0.363 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.649 -1.223 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.800 -0.786 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.190 -1.426 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.818 0.005 -0.995 1.00 0.00 H new ATOM 1153 N CYS A 74 13.849 2.689 1.322 1.00 0.00 N ATOM 1154 CA CYS A 74 12.677 3.311 0.719 1.00 0.00 C ATOM 1155 C CYS A 74 12.123 4.427 1.597 1.00 0.00 C ATOM 1156 O CYS A 74 11.428 5.280 1.065 1.00 0.00 O ATOM 1157 CB CYS A 74 11.655 2.234 0.327 1.00 0.00 C ATOM 1158 SG CYS A 74 10.630 2.758 -1.077 1.00 0.00 S ATOM 0 H CYS A 74 13.690 2.331 2.264 1.00 0.00 H new ATOM 0 HA CYS A 74 12.961 3.810 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.178 1.312 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.015 2.011 1.181 1.00 0.00 H new ATOM 0 HG CYS A 74 9.784 1.816 -1.372 1.00 0.00 H new ATOM 1164 N GLU A 75 12.467 4.517 2.888 1.00 0.00 N ATOM 1165 CA GLU A 75 11.971 5.543 3.817 1.00 0.00 C ATOM 1166 C GLU A 75 12.150 6.975 3.290 1.00 0.00 C ATOM 1167 O GLU A 75 11.356 7.868 3.572 1.00 0.00 O ATOM 1168 CB GLU A 75 12.653 5.359 5.183 1.00 0.00 C ATOM 1169 CG GLU A 75 14.172 5.568 5.168 1.00 0.00 C ATOM 1170 CD GLU A 75 14.633 6.823 5.902 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.509 7.932 5.342 1.00 0.00 O ATOM 1172 OE2 GLU A 75 15.268 6.665 6.974 1.00 0.00 O ATOM 0 H GLU A 75 13.114 3.862 3.327 1.00 0.00 H new ATOM 0 HA GLU A 75 10.895 5.406 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.210 6.057 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.441 4.354 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.652 4.699 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.511 5.619 4.133 1.00 0.00 H new ATOM 1179 N GLU A 76 13.136 7.184 2.430 1.00 0.00 N ATOM 1180 CA GLU A 76 13.470 8.489 1.868 1.00 0.00 C ATOM 1181 C GLU A 76 12.404 8.934 0.848 1.00 0.00 C ATOM 1182 O GLU A 76 12.265 10.118 0.537 1.00 0.00 O ATOM 1183 CB GLU A 76 14.842 8.332 1.200 1.00 0.00 C ATOM 1184 CG GLU A 76 15.514 9.570 0.588 1.00 0.00 C ATOM 1185 CD GLU A 76 16.521 9.156 -0.497 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.224 8.126 -0.336 1.00 0.00 O ATOM 1187 OE2 GLU A 76 16.501 9.775 -1.585 1.00 0.00 O ATOM 0 H GLU A 76 13.741 6.435 2.094 1.00 0.00 H new ATOM 0 HA GLU A 76 13.498 9.257 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.525 7.919 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.741 7.587 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.757 10.227 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.023 10.137 1.367 1.00 0.00 H new ATOM 1194 N MET A 77 11.606 7.998 0.336 1.00 0.00 N ATOM 1195 CA MET A 77 10.455 8.241 -0.520 1.00 0.00 C ATOM 1196 C MET A 77 9.172 8.378 0.317 1.00 0.00 C ATOM 1197 O MET A 77 8.136 8.736 -0.234 1.00 0.00 O ATOM 1198 CB MET A 77 10.332 7.080 -1.532 1.00 0.00 C ATOM 1199 CG MET A 77 9.836 7.562 -2.896 1.00 0.00 C ATOM 1200 SD MET A 77 11.131 8.274 -3.949 1.00 0.00 S ATOM 1201 CE MET A 77 10.106 9.352 -4.979 1.00 0.00 C ATOM 0 H MET A 77 11.755 7.005 0.517 1.00 0.00 H new ATOM 0 HA MET A 77 10.594 9.178 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.302 6.596 -1.649 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.646 6.329 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.377 6.724 -3.420 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.056 8.308 -2.744 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.737 9.878 -5.695 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.371 8.752 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.592 10.077 -4.348 1.00 0.00 H new ATOM 1211 N LEU A 78 9.201 8.095 1.627 1.00 0.00 N ATOM 1212 CA LEU A 78 8.015 7.709 2.393 1.00 0.00 C ATOM 1213 C LEU A 78 7.942 8.524 3.684 1.00 0.00 C ATOM 1214 O LEU A 78 7.187 9.489 3.817 1.00 0.00 O ATOM 1215 CB LEU A 78 8.057 6.192 2.700 1.00 0.00 C ATOM 1216 CG LEU A 78 8.277 5.307 1.466 1.00 0.00 C ATOM 1217 CD1 LEU A 78 8.727 3.915 1.909 1.00 0.00 C ATOM 1218 CD2 LEU A 78 7.046 5.308 0.570 1.00 0.00 C ATOM 0 H LEU A 78 10.054 8.129 2.185 1.00 0.00 H new ATOM 0 HA LEU A 78 7.121 7.916 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.854 6.000 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.121 5.903 3.178 1.00 0.00 H new ATOM 0 HG LEU A 78 9.079 5.713 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.883 3.287 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.659 3.995 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.960 3.469 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.227 4.674 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.190 4.926 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.838 6.325 0.239 1.00 0.00 H new ATOM 1230 N ASP A 79 8.814 8.171 4.614 1.00 0.00 N ATOM 1231 CA ASP A 79 9.071 8.820 5.880 1.00 0.00 C ATOM 1232 C ASP A 79 9.526 10.256 5.627 1.00 0.00 C ATOM 1233 O ASP A 79 9.116 11.190 6.301 1.00 0.00 O ATOM 1234 CB ASP A 79 10.151 8.010 6.611 1.00 0.00 C ATOM 1235 CG ASP A 79 9.834 7.865 8.098 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.432 8.857 8.743 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.940 6.748 8.656 1.00 0.00 O ATOM 0 H ASP A 79 9.409 7.352 4.487 1.00 0.00 H new ATOM 0 HA ASP A 79 8.173 8.860 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.235 7.022 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.118 8.499 6.490 1.00 0.00 H new ATOM 1242 N ASN A 80 10.307 10.489 4.579 1.00 0.00 N ATOM 1243 CA ASN A 80 10.723 11.836 4.188 1.00 0.00 C ATOM 1244 C ASN A 80 9.726 12.492 3.206 1.00 0.00 C ATOM 1245 O ASN A 80 9.941 13.619 2.759 1.00 0.00 O ATOM 1246 CB ASN A 80 12.106 11.703 3.562 1.00 0.00 C ATOM 1247 CG ASN A 80 12.984 12.955 3.498 1.00 0.00 C ATOM 1248 OD1 ASN A 80 14.189 12.850 3.280 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.446 14.150 3.637 1.00 0.00 N ATOM 0 H ASN A 80 10.671 9.752 3.975 1.00 0.00 H new ATOM 0 HA ASN A 80 10.748 12.489 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.652 10.939 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.979 11.331 2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.029 14.984 3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.446 14.241 3.818 1.00 0.00 H new ATOM 1256 N ARG A 81 8.642 11.808 2.823 1.00 0.00 N ATOM 1257 CA ARG A 81 7.551 12.461 2.089 1.00 0.00 C ATOM 1258 C ARG A 81 6.828 13.415 3.029 1.00 0.00 C ATOM 1259 O ARG A 81 6.713 14.604 2.738 1.00 0.00 O ATOM 1260 CB ARG A 81 6.558 11.441 1.489 1.00 0.00 C ATOM 1261 CG ARG A 81 5.889 11.968 0.209 1.00 0.00 C ATOM 1262 CD ARG A 81 6.866 11.798 -0.954 1.00 0.00 C ATOM 1263 NE ARG A 81 6.390 12.347 -2.226 1.00 0.00 N ATOM 1264 CZ ARG A 81 7.184 12.626 -3.264 1.00 0.00 C ATOM 1265 NH1 ARG A 81 8.496 12.411 -3.182 1.00 0.00 N ATOM 1266 NH2 ARG A 81 6.664 13.097 -4.393 1.00 0.00 N ATOM 0 H ARG A 81 8.497 10.815 3.006 1.00 0.00 H new ATOM 0 HA ARG A 81 7.981 13.010 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.083 10.512 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.791 11.205 2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.966 11.422 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 81 5.619 13.018 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.809 12.279 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.075 10.736 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 81 5.391 12.527 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.898 12.032 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.099 12.625 -3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.658 13.246 -4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.271 13.310 -5.184 1.00 0.00 H new ATOM 1280 N ALA A 82 6.331 12.879 4.142 1.00 0.00 N ATOM 1281 CA ALA A 82 5.501 13.593 5.103 1.00 0.00 C ATOM 1282 C ALA A 82 5.583 12.959 6.494 1.00 0.00 C ATOM 1283 O ALA A 82 4.728 13.238 7.339 1.00 0.00 O ATOM 1284 CB ALA A 82 4.057 13.594 4.581 1.00 0.00 C ATOM 0 H ALA A 82 6.501 11.908 4.405 1.00 0.00 H new ATOM 0 HA ALA A 82 5.860 14.617 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.416 14.124 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.021 14.092 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.708 12.567 4.475 1.00 0.00 H new ATOM 1290 N THR A 83 6.552 12.065 6.735 1.00 0.00 N ATOM 1291 CA THR A 83 6.583 11.184 7.904 1.00 0.00 C ATOM 1292 C THR A 83 5.266 10.398 8.021 1.00 0.00 C ATOM 1293 O THR A 83 4.700 10.297 9.109 1.00 0.00 O ATOM 1294 CB THR A 83 7.068 11.962 9.159 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.465 13.229 9.354 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.574 12.243 9.067 1.00 0.00 C ATOM 0 H THR A 83 7.348 11.934 6.111 1.00 0.00 H new ATOM 0 HA THR A 83 7.332 10.400 7.791 1.00 0.00 H new ATOM 0 HB THR A 83 6.792 11.308 9.986 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.579 13.237 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.897 12.788 9.954 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.117 11.300 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.779 12.841 8.179 1.00 0.00 H new ATOM 1304 N LEU A 84 4.764 9.888 6.880 1.00 0.00 N ATOM 1305 CA LEU A 84 3.373 9.430 6.736 1.00 0.00 C ATOM 1306 C LEU A 84 3.129 8.359 5.662 1.00 0.00 C ATOM 1307 O LEU A 84 2.215 7.557 5.840 1.00 0.00 O ATOM 1308 CB LEU A 84 2.486 10.649 6.409 1.00 0.00 C ATOM 1309 CG LEU A 84 1.244 10.849 7.294 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.208 9.741 7.092 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.571 11.046 8.777 1.00 0.00 C ATOM 0 H LEU A 84 5.317 9.783 6.029 1.00 0.00 H new ATOM 0 HA LEU A 84 3.126 8.957 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.101 11.546 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.157 10.564 5.373 1.00 0.00 H new ATOM 0 HG LEU A 84 0.800 11.786 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.651 9.924 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.116 9.731 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.652 8.778 7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.647 11.181 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.099 10.170 9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.200 11.928 8.897 1.00 0.00 H new ATOM 1323 N GLN A 85 3.865 8.397 4.541 1.00 0.00 N ATOM 1324 CA GLN A 85 3.750 7.408 3.462 1.00 0.00 C ATOM 1325 C GLN A 85 4.272 6.035 3.898 1.00 0.00 C ATOM 1326 O GLN A 85 4.722 5.896 5.055 1.00 0.00 O ATOM 1327 CB GLN A 85 4.486 7.902 2.200 1.00 0.00 C ATOM 1328 CG GLN A 85 3.709 8.836 1.274 1.00 0.00 C ATOM 1329 CD GLN A 85 4.002 8.629 -0.219 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.088 8.462 -1.021 1.00 0.00 O ATOM 1331 NE2 GLN A 85 5.253 8.646 -0.655 1.00 0.00 N ATOM 0 H GLN A 85 4.561 9.120 4.358 1.00 0.00 H new ATOM 0 HA GLN A 85 2.692 7.293 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.395 8.414 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.795 7.030 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.642 8.695 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.941 9.868 1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.020 8.784 0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.449 8.521 -1.648 1.00 0.00 H new