USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 55 SER OG : rot -170:sc= 0.0398 USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 28 SER OG : rot 88:sc= 0.197 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -0.055 K(o=-2.4,f=-2.9!) USER MOD Set 3.2: A 21 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.75) USER MOD Single : A 6 MET CE :methyl -138:sc= -0.183 (180deg=-0.718) USER MOD Single : A 8 GLN : amide:sc= -2.13 K(o=-2.1,f=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 121:sc= 0.145 USER MOD Single : A 17 ASN : amide:sc= -1.27 K(o=-1.3,f=-6!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.0543 (180deg=-0.474) USER MOD Single : A 20 SER OG : rot 50:sc= -0.321 USER MOD Single : A 24 ASN : amide:sc= -6.85! C(o=-6.9!,f=-4.2!) USER MOD Single : A 31 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.24) USER MOD Single : A 33 SER OG : rot 49:sc= 0.973 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.81! C(o=-2.8!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-1.4) USER MOD Single : A 52 SER OG : rot 37:sc= 0.447 USER MOD Single : A 57 SER OG : rot 180:sc= -0.261 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 93:sc= 1.23 USER MOD Single : A 63 TYR OH : rot 165:sc= -1.38 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 27:sc= 0.697 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -169:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -164:sc= 0.255 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 84 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-9.3!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -29:sc= 0.113 USER MOD Single : A 89 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.6!) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.0235 (180deg=-0.8) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -121:sc= 0 (180deg=-0.0642) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.136 -7.643 8.035 1.00 0.00 N ATOM 2 CA MET A 6 5.026 -7.470 7.115 1.00 0.00 C ATOM 3 C MET A 6 4.645 -5.999 7.030 1.00 0.00 C ATOM 4 O MET A 6 5.238 -5.155 7.704 1.00 0.00 O ATOM 5 CB MET A 6 3.815 -8.302 7.559 1.00 0.00 C ATOM 6 CG MET A 6 3.227 -7.873 8.894 1.00 0.00 C ATOM 7 SD MET A 6 1.769 -8.830 9.355 1.00 0.00 S ATOM 8 CE MET A 6 0.644 -8.403 8.027 1.00 0.00 C ATOM 0 HA MET A 6 5.338 -7.817 6.130 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.041 -8.235 6.794 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.110 -9.349 7.623 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.985 -7.978 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.963 -6.817 8.847 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.352 -8.233 8.435 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.993 -7.497 7.532 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.606 -9.219 7.306 1.00 0.00 H new ATOM 17 N ILE A 7 3.662 -5.704 6.203 1.00 0.00 N ATOM 18 CA ILE A 7 3.201 -4.341 6.014 1.00 0.00 C ATOM 19 C ILE A 7 2.028 -4.073 6.946 1.00 0.00 C ATOM 20 O ILE A 7 1.278 -4.992 7.265 1.00 0.00 O ATOM 21 CB ILE A 7 2.732 -4.117 4.555 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.707 -4.753 3.561 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.566 -2.635 4.254 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.012 -5.463 2.409 1.00 0.00 C ATOM 0 H ILE A 7 3.162 -6.397 5.646 1.00 0.00 H new ATOM 0 HA ILE A 7 4.028 -3.665 6.232 1.00 0.00 H new ATOM 0 HB ILE A 7 1.762 -4.601 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.362 -3.980 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.340 -5.466 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.236 -2.508 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.823 -2.208 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.519 -2.126 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.760 -5.891 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.378 -6.258 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.400 -4.749 1.858 1.00 0.00 H new ATOM 36 N GLN A 8 1.881 -2.838 7.408 1.00 0.00 N ATOM 37 CA GLN A 8 0.743 -2.476 8.228 1.00 0.00 C ATOM 38 C GLN A 8 -0.041 -1.360 7.535 1.00 0.00 C ATOM 39 O GLN A 8 0.431 -0.224 7.447 1.00 0.00 O ATOM 40 CB GLN A 8 1.201 -2.036 9.631 1.00 0.00 C ATOM 41 CG GLN A 8 1.888 -3.141 10.455 1.00 0.00 C ATOM 42 CD GLN A 8 3.248 -3.564 9.931 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.644 -4.720 10.076 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.993 -2.629 9.357 1.00 0.00 N ATOM 0 H GLN A 8 2.535 -2.076 7.227 1.00 0.00 H new ATOM 0 HA GLN A 8 0.096 -3.344 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.889 -1.197 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.335 -1.673 10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.000 -2.794 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.236 -4.014 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.631 -1.681 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.928 -2.858 9.019 1.00 0.00 H new ATOM 53 N VAL A 9 -1.216 -1.699 7.006 1.00 0.00 N ATOM 54 CA VAL A 9 -2.047 -0.727 6.293 1.00 0.00 C ATOM 55 C VAL A 9 -3.043 -0.045 7.220 1.00 0.00 C ATOM 56 O VAL A 9 -3.483 -0.617 8.218 1.00 0.00 O ATOM 57 CB VAL A 9 -2.825 -1.361 5.111 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.907 -1.594 3.926 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.489 -2.661 5.537 1.00 0.00 C ATOM 0 H VAL A 9 -1.614 -2.637 7.057 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.350 0.012 5.898 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.605 -0.663 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.474 -2.039 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.486 -0.643 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.101 -2.267 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.029 -3.088 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.728 -3.365 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.187 -2.464 6.351 1.00 0.00 H new ATOM 69 N TYR A 10 -3.390 1.182 6.856 1.00 0.00 N ATOM 70 CA TYR A 10 -4.295 2.029 7.634 1.00 0.00 C ATOM 71 C TYR A 10 -5.004 2.995 6.702 1.00 0.00 C ATOM 72 O TYR A 10 -4.785 2.980 5.487 1.00 0.00 O ATOM 73 CB TYR A 10 -3.549 2.879 8.673 1.00 0.00 C ATOM 74 CG TYR A 10 -2.949 2.128 9.851 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.617 2.326 10.207 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.704 1.239 10.616 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.056 1.664 11.282 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.144 0.570 11.695 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.822 0.789 12.020 1.00 0.00 C ATOM 80 OH TYR A 10 -1.260 0.137 13.094 1.00 0.00 O ATOM 0 H TYR A 10 -3.049 1.626 6.003 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.990 1.363 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.748 3.415 8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.239 3.629 9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.011 3.010 9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.740 1.069 10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.021 1.832 11.543 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.740 -0.118 12.277 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.930 -0.444 13.511 1.00 0.00 H new ATOM 90 N SER A 11 -5.850 3.841 7.271 1.00 0.00 N ATOM 91 CA SER A 11 -6.419 4.956 6.532 1.00 0.00 C ATOM 92 C SER A 11 -6.381 6.236 7.359 1.00 0.00 C ATOM 93 O SER A 11 -6.273 6.200 8.588 1.00 0.00 O ATOM 94 CB SER A 11 -7.854 4.649 6.124 1.00 0.00 C ATOM 95 OG SER A 11 -7.917 3.465 5.346 1.00 0.00 O ATOM 0 H SER A 11 -6.157 3.776 8.242 1.00 0.00 H new ATOM 0 HA SER A 11 -5.817 5.104 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.473 4.537 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.261 5.485 5.555 1.00 0.00 H new ATOM 0 HG SER A 11 -8.499 2.813 5.789 1.00 0.00 H new ATOM 101 N ARG A 12 -6.457 7.363 6.664 1.00 0.00 N ATOM 102 CA ARG A 12 -6.383 8.676 7.300 1.00 0.00 C ATOM 103 C ARG A 12 -7.757 9.147 7.775 1.00 0.00 C ATOM 104 O ARG A 12 -7.855 10.006 8.648 1.00 0.00 O ATOM 105 CB ARG A 12 -5.798 9.703 6.321 1.00 0.00 C ATOM 106 CG ARG A 12 -4.625 10.481 6.893 1.00 0.00 C ATOM 107 CD ARG A 12 -5.038 11.335 8.077 1.00 0.00 C ATOM 108 NE ARG A 12 -5.774 12.526 7.664 1.00 0.00 N ATOM 109 CZ ARG A 12 -6.526 13.257 8.484 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.680 12.890 9.752 1.00 0.00 N ATOM 111 NH2 ARG A 12 -7.126 14.351 8.031 1.00 0.00 N ATOM 0 H ARG A 12 -6.571 7.396 5.651 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.734 8.586 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.476 9.189 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.581 10.403 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.844 9.786 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.198 11.117 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.656 10.743 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.151 11.633 8.636 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.708 12.816 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.222 12.047 10.098 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.257 13.451 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.010 14.630 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.703 14.913 8.657 1.00 0.00 H new ATOM 125 N HIS A 13 -8.807 8.576 7.207 1.00 0.00 N ATOM 126 CA HIS A 13 -10.169 9.019 7.491 1.00 0.00 C ATOM 127 C HIS A 13 -11.064 7.818 7.790 1.00 0.00 C ATOM 128 O HIS A 13 -10.690 6.680 7.495 1.00 0.00 O ATOM 129 CB HIS A 13 -10.732 9.792 6.294 1.00 0.00 C ATOM 130 CG HIS A 13 -9.897 10.956 5.853 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.212 10.929 4.660 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.689 12.152 6.458 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.606 12.099 4.565 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.865 12.871 5.628 1.00 0.00 N ATOM 0 H HIS A 13 -8.745 7.803 6.545 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.146 9.673 8.363 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.845 9.105 5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.729 10.152 6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.092 12.475 7.406 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.981 12.395 3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.516 13.815 5.790 1.00 0.00 H new ATOM 142 N PRO A 14 -12.256 8.053 8.375 1.00 0.00 N ATOM 143 CA PRO A 14 -13.208 6.982 8.686 1.00 0.00 C ATOM 144 C PRO A 14 -13.827 6.381 7.425 1.00 0.00 C ATOM 145 O PRO A 14 -14.259 7.107 6.524 1.00 0.00 O ATOM 146 CB PRO A 14 -14.297 7.653 9.534 1.00 0.00 C ATOM 147 CG PRO A 14 -13.832 9.054 9.793 1.00 0.00 C ATOM 148 CD PRO A 14 -12.756 9.374 8.785 1.00 0.00 C ATOM 0 HA PRO A 14 -12.713 6.159 9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.253 7.652 9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.447 7.115 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.662 9.755 9.702 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.445 9.147 10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.155 9.932 7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.965 9.983 9.223 1.00 0.00 H new ATOM 156 N ALA A 15 -13.852 5.056 7.368 1.00 0.00 N ATOM 157 CA ALA A 15 -14.423 4.320 6.242 1.00 0.00 C ATOM 158 C ALA A 15 -15.907 4.633 6.042 1.00 0.00 C ATOM 159 O ALA A 15 -16.743 4.199 6.837 1.00 0.00 O ATOM 160 CB ALA A 15 -14.259 2.827 6.481 1.00 0.00 C ATOM 0 H ALA A 15 -13.476 4.457 8.103 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.891 4.629 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.684 2.275 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.200 2.587 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.776 2.547 7.399 1.00 0.00 H new ATOM 166 N GLU A 16 -16.242 5.392 5.002 1.00 0.00 N ATOM 167 CA GLU A 16 -17.649 5.624 4.668 1.00 0.00 C ATOM 168 C GLU A 16 -17.902 5.181 3.217 1.00 0.00 C ATOM 169 O GLU A 16 -17.403 5.816 2.285 1.00 0.00 O ATOM 170 CB GLU A 16 -18.005 7.120 4.860 1.00 0.00 C ATOM 171 CG GLU A 16 -19.444 7.408 5.282 1.00 0.00 C ATOM 172 CD GLU A 16 -20.464 6.933 4.271 1.00 0.00 C ATOM 173 OE1 GLU A 16 -21.130 5.910 4.530 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.601 7.584 3.214 1.00 0.00 O ATOM 0 H GLU A 16 -15.573 5.851 4.384 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.286 5.041 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.335 7.541 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.808 7.645 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.639 6.926 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.564 8.481 5.434 1.00 0.00 H new ATOM 181 N ASN A 17 -18.622 4.057 3.038 1.00 0.00 N ATOM 182 CA ASN A 17 -19.001 3.560 1.709 1.00 0.00 C ATOM 183 C ASN A 17 -19.498 4.705 0.813 1.00 0.00 C ATOM 184 O ASN A 17 -20.524 5.329 1.082 1.00 0.00 O ATOM 185 CB ASN A 17 -20.064 2.426 1.867 1.00 0.00 C ATOM 186 CG ASN A 17 -20.800 2.003 0.590 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.912 2.739 -0.388 1.00 0.00 O ATOM 188 ND2 ASN A 17 -21.348 0.795 0.618 1.00 0.00 N ATOM 0 H ASN A 17 -18.953 3.474 3.807 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.126 3.140 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.569 1.549 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.805 2.751 2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.878 0.457 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.239 0.205 1.443 1.00 0.00 H new ATOM 195 N GLY A 18 -18.740 4.983 -0.250 1.00 0.00 N ATOM 196 CA GLY A 18 -19.112 6.031 -1.192 1.00 0.00 C ATOM 197 C GLY A 18 -18.137 7.198 -1.217 1.00 0.00 C ATOM 198 O GLY A 18 -18.124 7.973 -2.172 1.00 0.00 O ATOM 0 H GLY A 18 -17.871 4.498 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.179 5.603 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.105 6.402 -0.937 1.00 0.00 H new ATOM 202 N LYS A 19 -17.318 7.336 -0.178 1.00 0.00 N ATOM 203 CA LYS A 19 -16.376 8.461 -0.105 1.00 0.00 C ATOM 204 C LYS A 19 -15.039 8.058 -0.699 1.00 0.00 C ATOM 205 O LYS A 19 -14.711 6.872 -0.743 1.00 0.00 O ATOM 206 CB LYS A 19 -16.091 8.902 1.341 1.00 0.00 C ATOM 207 CG LYS A 19 -17.282 9.039 2.284 1.00 0.00 C ATOM 208 CD LYS A 19 -18.207 10.210 1.982 1.00 0.00 C ATOM 209 CE LYS A 19 -19.051 9.991 0.746 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.950 8.816 0.895 1.00 0.00 N ATOM 0 H LYS A 19 -17.283 6.697 0.616 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.843 9.279 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.395 8.187 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.579 9.863 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.863 8.117 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.910 9.142 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.861 10.379 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.611 11.113 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.647 10.882 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.401 9.845 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.701 8.860 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.402 7.941 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.377 8.824 1.843 1.00 0.00 H new ATOM 224 N SER A 20 -14.272 9.033 -1.165 1.00 0.00 N ATOM 225 CA SER A 20 -12.878 8.788 -1.455 1.00 0.00 C ATOM 226 C SER A 20 -12.017 9.368 -0.352 1.00 0.00 C ATOM 227 O SER A 20 -12.327 10.412 0.229 1.00 0.00 O ATOM 228 CB SER A 20 -12.430 9.311 -2.822 1.00 0.00 C ATOM 229 OG SER A 20 -11.203 8.724 -3.219 1.00 0.00 O ATOM 0 H SER A 20 -14.590 9.985 -1.346 1.00 0.00 H new ATOM 0 HA SER A 20 -12.752 7.706 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.197 9.095 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.321 10.395 -2.782 1.00 0.00 H new ATOM 0 HG SER A 20 -11.260 7.750 -3.122 1.00 0.00 H new ATOM 235 N ASN A 21 -10.925 8.690 -0.099 1.00 0.00 N ATOM 236 CA ASN A 21 -9.977 9.058 0.935 1.00 0.00 C ATOM 237 C ASN A 21 -8.626 8.557 0.450 1.00 0.00 C ATOM 238 O ASN A 21 -8.438 8.398 -0.760 1.00 0.00 O ATOM 239 CB ASN A 21 -10.336 8.432 2.295 1.00 0.00 C ATOM 240 CG ASN A 21 -11.791 8.614 2.712 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.667 7.845 2.321 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.051 9.597 3.550 1.00 0.00 N ATOM 0 H ASN A 21 -10.661 7.850 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.979 10.136 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.112 7.366 2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.695 8.867 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.001 9.737 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.302 10.218 3.856 1.00 0.00 H new ATOM 249 N PHE A 22 -7.694 8.276 1.345 1.00 0.00 N ATOM 250 CA PHE A 22 -6.373 7.831 0.922 1.00 0.00 C ATOM 251 C PHE A 22 -5.951 6.558 1.641 1.00 0.00 C ATOM 252 O PHE A 22 -6.106 6.444 2.860 1.00 0.00 O ATOM 253 CB PHE A 22 -5.353 8.943 1.153 1.00 0.00 C ATOM 254 CG PHE A 22 -5.394 9.997 0.088 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.630 9.637 -1.224 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.194 11.332 0.391 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.672 10.586 -2.224 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.233 12.291 -0.604 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.472 11.917 -1.913 1.00 0.00 C ATOM 0 H PHE A 22 -7.822 8.346 2.355 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.418 7.601 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.539 9.405 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.353 8.511 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.784 8.597 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.006 11.627 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.860 10.290 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.077 13.331 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.502 12.665 -2.692 1.00 0.00 H new ATOM 269 N LEU A 23 -5.420 5.599 0.882 1.00 0.00 N ATOM 270 CA LEU A 23 -4.965 4.330 1.458 1.00 0.00 C ATOM 271 C LEU A 23 -3.476 4.398 1.768 1.00 0.00 C ATOM 272 O LEU A 23 -2.663 4.715 0.899 1.00 0.00 O ATOM 273 CB LEU A 23 -5.264 3.150 0.512 1.00 0.00 C ATOM 274 CG LEU A 23 -4.628 1.786 0.877 1.00 0.00 C ATOM 275 CD1 LEU A 23 -4.975 1.351 2.296 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.074 0.712 -0.108 1.00 0.00 C ATOM 0 H LEU A 23 -5.294 5.674 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.512 4.163 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.345 3.019 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.930 3.424 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.547 1.913 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.507 0.389 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.610 2.095 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.057 1.257 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.619 -0.241 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.159 0.617 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.763 0.990 -1.115 1.00 0.00 H new ATOM 288 N ASN A 24 -3.129 4.104 3.009 1.00 0.00 N ATOM 289 CA ASN A 24 -1.735 4.150 3.444 1.00 0.00 C ATOM 290 C ASN A 24 -1.182 2.743 3.601 1.00 0.00 C ATOM 291 O ASN A 24 -1.763 1.904 4.294 1.00 0.00 O ATOM 292 CB ASN A 24 -1.569 4.953 4.761 1.00 0.00 C ATOM 293 CG ASN A 24 -0.760 4.219 5.828 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.312 3.500 6.654 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.551 4.403 5.822 1.00 0.00 N ATOM 0 H ASN A 24 -3.790 3.830 3.736 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.165 4.668 2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.083 5.903 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.556 5.186 5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.134 3.940 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.978 5.008 5.120 1.00 0.00 H new ATOM 302 N CYS A 25 -0.088 2.470 2.912 1.00 0.00 N ATOM 303 CA CYS A 25 0.661 1.245 3.107 1.00 0.00 C ATOM 304 C CYS A 25 2.052 1.595 3.647 1.00 0.00 C ATOM 305 O CYS A 25 2.859 2.198 2.940 1.00 0.00 O ATOM 306 CB CYS A 25 0.772 0.504 1.765 1.00 0.00 C ATOM 307 SG CYS A 25 2.021 -0.813 1.731 1.00 0.00 S ATOM 0 H CYS A 25 0.304 3.091 2.204 1.00 0.00 H new ATOM 0 HA CYS A 25 0.155 0.598 3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.199 0.072 1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.004 1.227 0.983 1.00 0.00 H new ATOM 312 N TYR A 26 2.317 1.253 4.903 1.00 0.00 N ATOM 313 CA TYR A 26 3.585 1.635 5.548 1.00 0.00 C ATOM 314 C TYR A 26 4.587 0.483 5.505 1.00 0.00 C ATOM 315 O TYR A 26 4.430 -0.528 6.197 1.00 0.00 O ATOM 316 CB TYR A 26 3.338 2.148 6.996 1.00 0.00 C ATOM 317 CG TYR A 26 4.503 2.017 7.961 1.00 0.00 C ATOM 318 CD1 TYR A 26 5.603 2.868 7.895 1.00 0.00 C ATOM 319 CD2 TYR A 26 4.483 1.050 8.960 1.00 0.00 C ATOM 320 CE1 TYR A 26 6.650 2.749 8.791 1.00 0.00 C ATOM 321 CE2 TYR A 26 5.526 0.926 9.856 1.00 0.00 C ATOM 322 CZ TYR A 26 6.607 1.776 9.768 1.00 0.00 C ATOM 323 OH TYR A 26 7.646 1.651 10.664 1.00 0.00 O ATOM 0 H TYR A 26 1.683 0.718 5.496 1.00 0.00 H new ATOM 0 HA TYR A 26 4.024 2.460 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.053 3.199 6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.487 1.607 7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.639 3.632 7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.636 0.384 9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.498 3.415 8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.495 0.166 10.623 1.00 0.00 H new ATOM 0 HH TYR A 26 7.455 0.918 11.286 1.00 0.00 H new ATOM 333 N VAL A 27 5.607 0.643 4.660 1.00 0.00 N ATOM 334 CA VAL A 27 6.647 -0.364 4.450 1.00 0.00 C ATOM 335 C VAL A 27 7.973 0.146 5.036 1.00 0.00 C ATOM 336 O VAL A 27 8.492 1.165 4.587 1.00 0.00 O ATOM 337 CB VAL A 27 6.835 -0.607 2.926 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.804 -1.750 2.665 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.498 -0.893 2.255 1.00 0.00 C ATOM 0 H VAL A 27 5.735 1.484 4.097 1.00 0.00 H new ATOM 0 HA VAL A 27 6.354 -1.293 4.940 1.00 0.00 H new ATOM 0 HB VAL A 27 7.255 0.303 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.914 -1.895 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.774 -1.511 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.419 -2.664 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.654 -1.060 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.050 -1.782 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.831 -0.042 2.395 1.00 0.00 H new ATOM 349 N SER A 28 8.513 -0.524 6.050 1.00 0.00 N ATOM 350 CA SER A 28 9.746 -0.047 6.673 1.00 0.00 C ATOM 351 C SER A 28 10.783 -1.162 6.843 1.00 0.00 C ATOM 352 O SER A 28 10.437 -2.323 7.052 1.00 0.00 O ATOM 353 CB SER A 28 9.432 0.595 8.026 1.00 0.00 C ATOM 354 OG SER A 28 10.569 1.251 8.562 1.00 0.00 O ATOM 0 H SER A 28 8.128 -1.379 6.451 1.00 0.00 H new ATOM 0 HA SER A 28 10.182 0.697 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.618 1.310 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.089 -0.170 8.723 1.00 0.00 H new ATOM 0 HG SER A 28 10.603 2.172 8.228 1.00 0.00 H new ATOM 360 N GLY A 29 12.057 -0.778 6.742 1.00 0.00 N ATOM 361 CA GLY A 29 13.163 -1.716 6.905 1.00 0.00 C ATOM 362 C GLY A 29 13.733 -2.156 5.571 1.00 0.00 C ATOM 363 O GLY A 29 14.788 -2.786 5.505 1.00 0.00 O ATOM 0 H GLY A 29 12.346 0.181 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.949 -1.251 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.819 -2.590 7.459 1.00 0.00 H new ATOM 367 N PHE A 30 13.026 -1.808 4.512 1.00 0.00 N ATOM 368 CA PHE A 30 13.394 -2.203 3.161 1.00 0.00 C ATOM 369 C PHE A 30 13.954 -1.019 2.397 1.00 0.00 C ATOM 370 O PHE A 30 13.326 0.038 2.359 1.00 0.00 O ATOM 371 CB PHE A 30 12.161 -2.730 2.445 1.00 0.00 C ATOM 372 CG PHE A 30 11.499 -3.879 3.179 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.567 -3.643 4.186 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.824 -5.195 2.872 1.00 0.00 C ATOM 375 CE1 PHE A 30 9.970 -4.697 4.864 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.230 -6.250 3.548 1.00 0.00 C ATOM 377 CZ PHE A 30 10.303 -5.997 4.541 1.00 0.00 C ATOM 0 H PHE A 30 12.179 -1.243 4.562 1.00 0.00 H new ATOM 0 HA PHE A 30 14.158 -2.979 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.442 -1.919 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.441 -3.058 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.305 -2.627 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.548 -5.398 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.247 -4.500 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.491 -7.268 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.838 -6.818 5.066 1.00 0.00 H new ATOM 387 N HIS A 31 15.102 -1.195 1.760 1.00 0.00 N ATOM 388 CA HIS A 31 15.786 -0.078 1.116 1.00 0.00 C ATOM 389 C HIS A 31 15.022 0.319 -0.143 1.00 0.00 C ATOM 390 O HIS A 31 14.966 -0.451 -1.100 1.00 0.00 O ATOM 391 CB HIS A 31 17.235 -0.449 0.768 1.00 0.00 C ATOM 392 CG HIS A 31 17.888 -1.348 1.776 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.025 -2.693 1.536 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.403 -1.063 2.999 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.612 -3.196 2.607 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.858 -2.246 3.520 1.00 0.00 N ATOM 0 H HIS A 31 15.579 -2.093 1.674 1.00 0.00 H new ATOM 0 HA HIS A 31 15.815 0.765 1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.251 -0.938 -0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.822 0.465 0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.446 -0.092 3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.862 -4.239 2.731 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.300 -2.378 4.430 1.00 0.00 H new ATOM 404 N PRO A 32 14.440 1.533 -0.140 1.00 0.00 N ATOM 405 CA PRO A 32 13.463 1.998 -1.144 1.00 0.00 C ATOM 406 C PRO A 32 13.754 1.594 -2.592 1.00 0.00 C ATOM 407 O PRO A 32 12.830 1.298 -3.347 1.00 0.00 O ATOM 408 CB PRO A 32 13.529 3.517 -0.991 1.00 0.00 C ATOM 409 CG PRO A 32 13.818 3.729 0.456 1.00 0.00 C ATOM 410 CD PRO A 32 14.695 2.574 0.878 1.00 0.00 C ATOM 0 HA PRO A 32 12.488 1.546 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.309 3.947 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.590 3.987 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.322 4.682 0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.897 3.753 1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.747 2.860 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.439 2.224 1.878 1.00 0.00 H new ATOM 418 N SER A 33 15.018 1.562 -2.981 1.00 0.00 N ATOM 419 CA SER A 33 15.358 1.359 -4.381 1.00 0.00 C ATOM 420 C SER A 33 15.234 -0.115 -4.818 1.00 0.00 C ATOM 421 O SER A 33 14.938 -0.389 -5.983 1.00 0.00 O ATOM 422 CB SER A 33 16.766 1.897 -4.668 1.00 0.00 C ATOM 423 OG SER A 33 16.994 2.004 -6.065 1.00 0.00 O ATOM 0 H SER A 33 15.817 1.672 -2.357 1.00 0.00 H new ATOM 0 HA SER A 33 14.633 1.918 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.888 2.874 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.510 1.235 -4.224 1.00 0.00 H new ATOM 0 HG SER A 33 16.243 2.475 -6.484 1.00 0.00 H new ATOM 429 N ASP A 34 15.443 -1.066 -3.905 1.00 0.00 N ATOM 430 CA ASP A 34 15.416 -2.486 -4.285 1.00 0.00 C ATOM 431 C ASP A 34 14.114 -3.177 -3.899 1.00 0.00 C ATOM 432 O ASP A 34 14.074 -4.406 -3.812 1.00 0.00 O ATOM 433 CB ASP A 34 16.583 -3.273 -3.661 1.00 0.00 C ATOM 434 CG ASP A 34 17.932 -2.914 -4.247 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.738 -2.267 -3.547 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.200 -3.305 -5.404 1.00 0.00 O ATOM 0 H ASP A 34 15.629 -0.889 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 34 15.509 -2.487 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.602 -3.090 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.407 -4.340 -3.800 1.00 0.00 H new ATOM 441 N ILE A 35 13.043 -2.426 -3.675 1.00 0.00 N ATOM 442 CA ILE A 35 11.792 -3.056 -3.267 1.00 0.00 C ATOM 443 C ILE A 35 10.657 -2.713 -4.223 1.00 0.00 C ATOM 444 O ILE A 35 10.757 -1.785 -5.029 1.00 0.00 O ATOM 445 CB ILE A 35 11.376 -2.681 -1.814 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.368 -1.510 -1.794 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.601 -2.353 -0.966 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.868 -1.157 -0.408 1.00 0.00 C ATOM 0 H ILE A 35 13.012 -1.410 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 35 11.977 -4.130 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 35 10.880 -3.550 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.838 -0.631 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.516 -1.766 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.285 -2.094 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.261 -3.220 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.134 -1.510 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.165 -0.327 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.368 -2.021 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.711 -0.869 0.220 1.00 0.00 H new ATOM 460 N GLU A 36 9.584 -3.480 -4.127 1.00 0.00 N ATOM 461 CA GLU A 36 8.405 -3.276 -4.947 1.00 0.00 C ATOM 462 C GLU A 36 7.153 -3.314 -4.075 1.00 0.00 C ATOM 463 O GLU A 36 6.872 -4.323 -3.431 1.00 0.00 O ATOM 464 CB GLU A 36 8.341 -4.349 -6.031 1.00 0.00 C ATOM 465 CG GLU A 36 9.399 -4.168 -7.113 1.00 0.00 C ATOM 466 CD GLU A 36 9.591 -5.402 -7.963 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.585 -6.041 -8.335 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.753 -5.727 -8.282 1.00 0.00 O ATOM 0 H GLU A 36 9.507 -4.262 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 36 8.461 -2.299 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.464 -5.330 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.353 -4.334 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.116 -3.333 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.348 -3.904 -6.645 1.00 0.00 H new ATOM 475 N VAL A 37 6.433 -2.201 -4.029 1.00 0.00 N ATOM 476 CA VAL A 37 5.203 -2.101 -3.245 1.00 0.00 C ATOM 477 C VAL A 37 4.094 -1.467 -4.081 1.00 0.00 C ATOM 478 O VAL A 37 4.310 -0.447 -4.739 1.00 0.00 O ATOM 479 CB VAL A 37 5.419 -1.301 -1.916 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.679 -0.452 -1.989 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.217 -0.421 -1.583 1.00 0.00 C ATOM 0 H VAL A 37 6.680 -1.347 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 37 4.905 -3.112 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 37 5.533 -2.035 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.805 0.093 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.543 -1.096 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.593 0.256 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.406 0.117 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.055 0.294 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.331 -1.045 -1.467 1.00 0.00 H new ATOM 491 N ASP A 38 2.912 -2.079 -4.060 1.00 0.00 N ATOM 492 CA ASP A 38 1.764 -1.565 -4.798 1.00 0.00 C ATOM 493 C ASP A 38 0.528 -1.601 -3.910 1.00 0.00 C ATOM 494 O ASP A 38 0.498 -2.298 -2.893 1.00 0.00 O ATOM 495 CB ASP A 38 1.481 -2.390 -6.072 1.00 0.00 C ATOM 496 CG ASP A 38 2.537 -2.237 -7.145 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.374 -3.158 -7.295 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.515 -1.216 -7.864 1.00 0.00 O ATOM 0 H ASP A 38 2.725 -2.935 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 38 1.998 -0.543 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.401 -3.443 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.515 -2.091 -6.480 1.00 0.00 H new ATOM 503 N LEU A 39 -0.498 -0.870 -4.315 1.00 0.00 N ATOM 504 CA LEU A 39 -1.769 -0.872 -3.601 1.00 0.00 C ATOM 505 C LEU A 39 -2.788 -1.687 -4.407 1.00 0.00 C ATOM 506 O LEU A 39 -2.964 -1.455 -5.607 1.00 0.00 O ATOM 507 CB LEU A 39 -2.267 0.562 -3.337 1.00 0.00 C ATOM 508 CG LEU A 39 -1.713 1.244 -2.063 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.221 1.517 -2.161 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.454 2.536 -1.777 1.00 0.00 C ATOM 0 H LEU A 39 -0.477 -0.266 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.635 -1.336 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.010 1.180 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.355 0.542 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.872 0.548 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.122 1.996 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.313 0.577 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.026 2.174 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.047 2.997 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.336 3.218 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.513 2.323 -1.629 1.00 0.00 H new ATOM 522 N LEU A 40 -3.429 -2.660 -3.754 1.00 0.00 N ATOM 523 CA LEU A 40 -4.265 -3.645 -4.446 1.00 0.00 C ATOM 524 C LEU A 40 -5.718 -3.647 -3.969 1.00 0.00 C ATOM 525 O LEU A 40 -6.067 -3.035 -2.959 1.00 0.00 O ATOM 526 CB LEU A 40 -3.738 -5.076 -4.241 1.00 0.00 C ATOM 527 CG LEU A 40 -2.284 -5.374 -4.630 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.126 -6.877 -4.829 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.857 -4.636 -5.890 1.00 0.00 C ATOM 0 H LEU A 40 -3.385 -2.787 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.223 -3.349 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.860 -5.328 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.380 -5.752 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.640 -5.023 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.096 -7.101 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.373 -7.395 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.796 -7.212 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.821 -4.881 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.495 -4.936 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.949 -3.562 -5.731 1.00 0.00 H new ATOM 541 N LYS A 41 -6.539 -4.372 -4.730 1.00 0.00 N ATOM 542 CA LYS A 41 -7.915 -4.703 -4.377 1.00 0.00 C ATOM 543 C LYS A 41 -8.063 -6.201 -4.475 1.00 0.00 C ATOM 544 O LYS A 41 -8.115 -6.720 -5.587 1.00 0.00 O ATOM 545 CB LYS A 41 -8.909 -4.075 -5.366 1.00 0.00 C ATOM 546 CG LYS A 41 -8.432 -2.733 -5.888 1.00 0.00 C ATOM 547 CD LYS A 41 -9.350 -2.065 -6.973 1.00 0.00 C ATOM 548 CE LYS A 41 -10.886 -2.081 -6.726 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.619 -1.759 -7.981 1.00 0.00 N ATOM 0 H LYS A 41 -6.255 -4.754 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.124 -4.327 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.062 -4.755 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.875 -3.949 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.337 -2.048 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.435 -2.860 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.038 -1.026 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.158 -2.558 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.191 -3.062 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.143 -1.358 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.643 -1.774 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.340 -0.814 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.387 -2.464 -8.709 1.00 0.00 H new ATOM 563 N ASN A 42 -8.164 -6.892 -3.339 1.00 0.00 N ATOM 564 CA ASN A 42 -8.207 -8.354 -3.313 1.00 0.00 C ATOM 565 C ASN A 42 -7.299 -8.954 -4.390 1.00 0.00 C ATOM 566 O ASN A 42 -7.735 -9.762 -5.215 1.00 0.00 O ATOM 567 CB ASN A 42 -9.661 -8.873 -3.486 1.00 0.00 C ATOM 568 CG ASN A 42 -10.714 -7.780 -3.662 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.498 -7.518 -2.765 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.748 -7.143 -4.824 1.00 0.00 N ATOM 0 H ASN A 42 -8.218 -6.458 -2.418 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.840 -8.674 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.695 -9.534 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.923 -9.474 -2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.442 -6.413 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.080 -7.383 -5.557 1.00 0.00 H new ATOM 577 N GLY A 43 -6.032 -8.550 -4.363 1.00 0.00 N ATOM 578 CA GLY A 43 -5.069 -9.046 -5.329 1.00 0.00 C ATOM 579 C GLY A 43 -5.184 -8.430 -6.721 1.00 0.00 C ATOM 580 O GLY A 43 -4.783 -9.056 -7.701 1.00 0.00 O ATOM 0 H GLY A 43 -5.655 -7.886 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.065 -8.862 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.185 -10.126 -5.414 1.00 0.00 H new ATOM 584 N GLU A 44 -5.713 -7.218 -6.824 1.00 0.00 N ATOM 585 CA GLU A 44 -5.863 -6.561 -8.122 1.00 0.00 C ATOM 586 C GLU A 44 -5.246 -5.161 -8.075 1.00 0.00 C ATOM 587 O GLU A 44 -5.619 -4.339 -7.242 1.00 0.00 O ATOM 588 CB GLU A 44 -7.346 -6.496 -8.526 1.00 0.00 C ATOM 589 CG GLU A 44 -7.592 -5.922 -9.920 1.00 0.00 C ATOM 590 CD GLU A 44 -6.866 -6.698 -11.000 1.00 0.00 C ATOM 591 OE1 GLU A 44 -5.624 -6.586 -11.086 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.527 -7.423 -11.773 1.00 0.00 O ATOM 0 H GLU A 44 -6.045 -6.670 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.336 -7.145 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.768 -7.500 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.883 -5.890 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.662 -5.928 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.268 -4.881 -9.944 1.00 0.00 H new ATOM 599 N ARG A 45 -4.279 -4.921 -8.957 1.00 0.00 N ATOM 600 CA ARG A 45 -3.548 -3.652 -9.003 1.00 0.00 C ATOM 601 C ARG A 45 -4.515 -2.487 -9.244 1.00 0.00 C ATOM 602 O ARG A 45 -5.220 -2.448 -10.253 1.00 0.00 O ATOM 603 CB ARG A 45 -2.471 -3.711 -10.120 1.00 0.00 C ATOM 604 CG ARG A 45 -1.158 -2.996 -9.786 1.00 0.00 C ATOM 605 CD ARG A 45 -0.090 -3.134 -10.889 1.00 0.00 C ATOM 606 NE ARG A 45 -0.346 -2.280 -12.051 1.00 0.00 N ATOM 607 CZ ARG A 45 0.240 -2.451 -13.237 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.071 -3.469 -13.432 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.002 -1.598 -14.224 1.00 0.00 N ATOM 0 H ARG A 45 -3.979 -5.597 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.054 -3.489 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.253 -4.756 -10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.886 -3.274 -11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.361 -1.939 -9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.761 -3.397 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.887 -2.887 -10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.044 -4.174 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.009 -1.512 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.263 -4.123 -12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.517 -3.596 -14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.636 -0.813 -14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.446 -1.728 -15.131 1.00 0.00 H new ATOM 623 N ILE A 46 -4.554 -1.559 -8.278 1.00 0.00 N ATOM 624 CA ILE A 46 -5.432 -0.394 -8.339 1.00 0.00 C ATOM 625 C ILE A 46 -5.058 0.515 -9.502 1.00 0.00 C ATOM 626 O ILE A 46 -5.873 0.706 -10.401 1.00 0.00 O ATOM 627 CB ILE A 46 -5.388 0.401 -7.013 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.848 -0.503 -5.866 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.257 1.660 -7.091 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.786 0.124 -4.495 1.00 0.00 C ATOM 0 H ILE A 46 -3.978 -1.599 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.448 -0.757 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.363 0.724 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.874 -0.816 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.234 -1.404 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.205 2.197 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.895 2.303 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.290 1.377 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.131 -0.594 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.758 0.411 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.423 1.008 -4.470 1.00 0.00 H new ATOM 642 N GLU A 47 -3.879 1.160 -9.382 1.00 0.00 N ATOM 643 CA GLU A 47 -3.142 1.790 -10.507 1.00 0.00 C ATOM 644 C GLU A 47 -2.884 3.261 -10.245 1.00 0.00 C ATOM 645 O GLU A 47 -1.845 3.790 -10.643 1.00 0.00 O ATOM 646 CB GLU A 47 -3.853 1.666 -11.855 1.00 0.00 C ATOM 647 CG GLU A 47 -3.774 0.281 -12.470 1.00 0.00 C ATOM 648 CD GLU A 47 -2.500 0.073 -13.248 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.575 -0.162 -14.468 1.00 0.00 O ATOM 650 OE2 GLU A 47 -1.419 0.146 -12.639 1.00 0.00 O ATOM 0 H GLU A 47 -3.401 1.262 -8.487 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.204 1.239 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.901 1.936 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.420 2.386 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.842 -0.469 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.629 0.129 -13.129 1.00 0.00 H new ATOM 657 N LYS A 48 -3.818 3.934 -9.580 1.00 0.00 N ATOM 658 CA LYS A 48 -3.683 5.367 -9.335 1.00 0.00 C ATOM 659 C LYS A 48 -2.758 5.601 -8.145 1.00 0.00 C ATOM 660 O LYS A 48 -3.143 6.245 -7.171 1.00 0.00 O ATOM 661 CB LYS A 48 -5.044 6.014 -9.026 1.00 0.00 C ATOM 662 CG LYS A 48 -6.221 5.570 -9.901 1.00 0.00 C ATOM 663 CD LYS A 48 -5.904 5.645 -11.383 1.00 0.00 C ATOM 664 CE LYS A 48 -7.157 5.434 -12.224 1.00 0.00 C ATOM 665 NZ LYS A 48 -6.866 5.433 -13.683 1.00 0.00 N ATOM 0 H LYS A 48 -4.669 3.516 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.272 5.819 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.293 5.806 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.938 7.095 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.496 4.547 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.086 6.197 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.466 6.615 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.160 4.890 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.622 4.487 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.878 6.220 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.749 5.286 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.447 6.345 -13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.198 4.667 -13.903 1.00 0.00 H new ATOM 679 N VAL A 49 -1.546 5.083 -8.220 1.00 0.00 N ATOM 680 CA VAL A 49 -0.620 5.178 -7.109 1.00 0.00 C ATOM 681 C VAL A 49 0.687 5.792 -7.598 1.00 0.00 C ATOM 682 O VAL A 49 1.261 5.354 -8.598 1.00 0.00 O ATOM 683 CB VAL A 49 -0.393 3.793 -6.426 1.00 0.00 C ATOM 684 CG1 VAL A 49 1.044 3.316 -6.520 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.826 3.839 -4.971 1.00 0.00 C ATOM 0 H VAL A 49 -1.181 4.593 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.048 5.826 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.007 3.076 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.139 2.348 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.327 3.219 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.699 4.037 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.660 2.865 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.244 4.594 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.885 4.092 -4.914 1.00 0.00 H new ATOM 695 N GLU A 50 1.119 6.838 -6.919 1.00 0.00 N ATOM 696 CA GLU A 50 2.321 7.564 -7.326 1.00 0.00 C ATOM 697 C GLU A 50 3.086 8.079 -6.114 1.00 0.00 C ATOM 698 O GLU A 50 2.595 8.944 -5.391 1.00 0.00 O ATOM 699 CB GLU A 50 1.957 8.766 -8.223 1.00 0.00 C ATOM 700 CG GLU A 50 1.344 8.430 -9.588 1.00 0.00 C ATOM 701 CD GLU A 50 0.899 9.675 -10.324 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.323 9.906 -10.423 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.770 10.432 -10.805 1.00 0.00 O ATOM 0 H GLU A 50 0.662 7.208 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 50 2.947 6.865 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.256 9.400 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.859 9.356 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.074 7.892 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.492 7.765 -9.450 1.00 0.00 H new ATOM 710 N HIS A 51 4.280 7.541 -5.884 1.00 0.00 N ATOM 711 CA HIS A 51 5.185 8.088 -4.891 1.00 0.00 C ATOM 712 C HIS A 51 6.585 7.575 -5.182 1.00 0.00 C ATOM 713 O HIS A 51 6.757 6.421 -5.573 1.00 0.00 O ATOM 714 CB HIS A 51 4.744 7.670 -3.480 1.00 0.00 C ATOM 715 CG HIS A 51 4.756 8.777 -2.460 1.00 0.00 C ATOM 716 ND1 HIS A 51 3.697 8.962 -1.606 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.722 9.681 -2.160 1.00 0.00 C ATOM 718 CE1 HIS A 51 4.039 9.959 -0.812 1.00 0.00 C ATOM 719 NE2 HIS A 51 5.258 10.429 -1.107 1.00 0.00 N ATOM 0 H HIS A 51 4.640 6.724 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 51 5.173 9.177 -4.938 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.736 7.258 -3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.397 6.869 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.675 9.791 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.413 10.348 -0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.746 11.193 -0.640 1.00 0.00 H new ATOM 727 N SER A 52 7.572 8.435 -5.041 1.00 0.00 N ATOM 728 CA SER A 52 8.956 8.017 -5.241 1.00 0.00 C ATOM 729 C SER A 52 9.900 8.803 -4.340 1.00 0.00 C ATOM 730 O SER A 52 10.025 10.023 -4.478 1.00 0.00 O ATOM 731 CB SER A 52 9.349 8.218 -6.707 1.00 0.00 C ATOM 732 OG SER A 52 9.107 9.554 -7.112 1.00 0.00 O ATOM 0 H SER A 52 7.451 9.417 -4.792 1.00 0.00 H new ATOM 0 HA SER A 52 9.037 6.961 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.403 7.977 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.782 7.533 -7.338 1.00 0.00 H new ATOM 0 HG SER A 52 9.312 10.162 -6.372 1.00 0.00 H new ATOM 738 N ASP A 53 10.547 8.113 -3.407 1.00 0.00 N ATOM 739 CA ASP A 53 11.575 8.719 -2.589 1.00 0.00 C ATOM 740 C ASP A 53 12.642 7.686 -2.293 1.00 0.00 C ATOM 741 O ASP A 53 12.360 6.662 -1.674 1.00 0.00 O ATOM 742 CB ASP A 53 10.994 9.323 -1.302 1.00 0.00 C ATOM 743 CG ASP A 53 10.372 8.313 -0.352 1.00 0.00 C ATOM 744 OD1 ASP A 53 9.418 7.615 -0.753 1.00 0.00 O ATOM 745 OD2 ASP A 53 10.806 8.261 0.821 1.00 0.00 O ATOM 0 H ASP A 53 10.372 7.129 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 53 12.025 9.547 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.787 9.856 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.239 10.061 -1.572 1.00 0.00 H new ATOM 750 N LEU A 54 13.847 7.911 -2.818 1.00 0.00 N ATOM 751 CA LEU A 54 14.978 6.990 -2.655 1.00 0.00 C ATOM 752 C LEU A 54 14.819 5.790 -3.591 1.00 0.00 C ATOM 753 O LEU A 54 15.795 5.117 -3.907 1.00 0.00 O ATOM 754 CB LEU A 54 15.168 6.512 -1.195 1.00 0.00 C ATOM 755 CG LEU A 54 15.460 7.590 -0.130 1.00 0.00 C ATOM 756 CD1 LEU A 54 16.034 8.851 -0.756 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.219 7.908 0.703 1.00 0.00 C ATOM 0 H LEU A 54 14.069 8.739 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 54 15.877 7.547 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.267 5.977 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.986 5.792 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 54 16.214 7.180 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.227 9.588 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.966 8.611 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.321 9.259 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.463 8.671 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.427 8.275 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.881 7.005 1.211 1.00 0.00 H new ATOM 769 N SER A 55 13.593 5.565 -4.060 1.00 0.00 N ATOM 770 CA SER A 55 13.276 4.473 -4.976 1.00 0.00 C ATOM 771 C SER A 55 14.234 4.441 -6.169 1.00 0.00 C ATOM 772 O SER A 55 14.625 3.373 -6.640 1.00 0.00 O ATOM 773 CB SER A 55 11.837 4.632 -5.462 1.00 0.00 C ATOM 774 OG SER A 55 10.980 4.992 -4.390 1.00 0.00 O ATOM 0 H SER A 55 12.787 6.139 -3.813 1.00 0.00 H new ATOM 0 HA SER A 55 13.389 3.530 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.793 5.394 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.494 3.699 -5.910 1.00 0.00 H new ATOM 0 HG SER A 55 10.047 4.935 -4.684 1.00 0.00 H new ATOM 780 N PHE A 56 14.613 5.616 -6.653 1.00 0.00 N ATOM 781 CA PHE A 56 15.587 5.716 -7.728 1.00 0.00 C ATOM 782 C PHE A 56 16.684 6.701 -7.346 1.00 0.00 C ATOM 783 O PHE A 56 17.102 7.536 -8.152 1.00 0.00 O ATOM 784 CB PHE A 56 14.911 6.151 -9.032 1.00 0.00 C ATOM 785 CG PHE A 56 13.910 5.159 -9.554 1.00 0.00 C ATOM 786 CD1 PHE A 56 12.550 5.385 -9.419 1.00 0.00 C ATOM 787 CD2 PHE A 56 14.333 4.001 -10.183 1.00 0.00 C ATOM 788 CE1 PHE A 56 11.632 4.473 -9.902 1.00 0.00 C ATOM 789 CE2 PHE A 56 13.421 3.086 -10.667 1.00 0.00 C ATOM 790 CZ PHE A 56 12.068 3.322 -10.527 1.00 0.00 C ATOM 0 H PHE A 56 14.260 6.512 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 56 16.032 4.734 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 56 14.412 7.107 -8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 56 15.676 6.315 -9.791 1.00 0.00 H new ATOM 0 HD1 PHE A 56 12.204 6.284 -8.931 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.390 3.811 -10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.574 4.660 -9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.765 2.186 -11.155 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.352 2.608 -10.906 1.00 0.00 H new ATOM 800 N SER A 57 17.141 6.604 -6.106 1.00 0.00 N ATOM 801 CA SER A 57 18.154 7.512 -5.598 1.00 0.00 C ATOM 802 C SER A 57 19.044 6.827 -4.560 1.00 0.00 C ATOM 803 O SER A 57 20.242 6.641 -4.780 1.00 0.00 O ATOM 804 CB SER A 57 17.478 8.749 -4.989 1.00 0.00 C ATOM 805 OG SER A 57 18.429 9.681 -4.495 1.00 0.00 O ATOM 0 H SER A 57 16.825 5.905 -5.434 1.00 0.00 H new ATOM 0 HA SER A 57 18.790 7.818 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.855 9.231 -5.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.817 8.440 -4.179 1.00 0.00 H new ATOM 0 HG SER A 57 17.962 10.455 -4.117 1.00 0.00 H new ATOM 811 N LYS A 58 18.451 6.428 -3.441 1.00 0.00 N ATOM 812 CA LYS A 58 19.225 5.976 -2.293 1.00 0.00 C ATOM 813 C LYS A 58 18.660 4.687 -1.710 1.00 0.00 C ATOM 814 O LYS A 58 17.656 4.159 -2.180 1.00 0.00 O ATOM 815 CB LYS A 58 19.243 7.070 -1.221 1.00 0.00 C ATOM 816 CG LYS A 58 19.940 8.347 -1.664 1.00 0.00 C ATOM 817 CD LYS A 58 19.753 9.468 -0.656 1.00 0.00 C ATOM 818 CE LYS A 58 20.361 9.121 0.692 1.00 0.00 C ATOM 819 NZ LYS A 58 20.124 10.191 1.695 1.00 0.00 N ATOM 0 H LYS A 58 17.440 6.408 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 58 20.242 5.772 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.217 7.306 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.740 6.686 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.004 8.153 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.548 8.659 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.211 10.380 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.689 9.673 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.936 8.184 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.433 8.961 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.554 9.918 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.551 11.079 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.101 10.326 1.823 1.00 0.00 H new ATOM 833 N ASP A 59 19.315 4.200 -0.673 1.00 0.00 N ATOM 834 CA ASP A 59 18.941 2.943 -0.041 1.00 0.00 C ATOM 835 C ASP A 59 18.412 3.198 1.360 1.00 0.00 C ATOM 836 O ASP A 59 17.965 2.281 2.046 1.00 0.00 O ATOM 837 CB ASP A 59 20.154 2.016 0.038 1.00 0.00 C ATOM 838 CG ASP A 59 21.207 2.532 1.004 1.00 0.00 C ATOM 839 OD1 ASP A 59 21.662 3.686 0.842 1.00 0.00 O ATOM 840 OD2 ASP A 59 21.593 1.784 1.925 1.00 0.00 O ATOM 0 H ASP A 59 20.118 4.660 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 59 18.162 2.472 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.831 1.023 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.594 1.910 -0.954 1.00 0.00 H new ATOM 845 N TRP A 60 18.476 4.455 1.778 1.00 0.00 N ATOM 846 CA TRP A 60 18.084 4.829 3.125 1.00 0.00 C ATOM 847 C TRP A 60 16.599 4.580 3.358 1.00 0.00 C ATOM 848 O TRP A 60 15.741 5.316 2.872 1.00 0.00 O ATOM 849 CB TRP A 60 18.433 6.289 3.407 1.00 0.00 C ATOM 850 CG TRP A 60 18.555 6.593 4.872 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.505 7.828 5.463 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.750 5.642 5.939 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.665 7.706 6.820 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.814 6.378 7.139 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.881 4.238 6.001 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.998 5.768 8.378 1.00 0.00 C ATOM 857 CZ3 TRP A 60 19.061 3.641 7.225 1.00 0.00 C ATOM 858 CH2 TRP A 60 19.119 4.401 8.403 1.00 0.00 C ATOM 0 H TRP A 60 18.797 5.232 1.201 1.00 0.00 H new ATOM 0 HA TRP A 60 18.643 4.201 3.818 1.00 0.00 H new ATOM 0 HB2 TRP A 60 19.373 6.534 2.912 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.667 6.930 2.972 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.361 8.761 4.938 1.00 0.00 H new ATOM 0 HE1 TRP A 60 18.672 8.478 7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 60 18.840 3.643 5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 19.044 6.350 9.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 19.160 2.567 7.282 1.00 0.00 H new ATOM 0 HH2 TRP A 60 19.262 3.900 9.349 1.00 0.00 H new ATOM 869 N SER A 61 16.315 3.522 4.101 1.00 0.00 N ATOM 870 CA SER A 61 14.955 3.136 4.409 1.00 0.00 C ATOM 871 C SER A 61 14.539 3.689 5.771 1.00 0.00 C ATOM 872 O SER A 61 14.995 3.190 6.800 1.00 0.00 O ATOM 873 CB SER A 61 14.845 1.616 4.439 1.00 0.00 C ATOM 874 OG SER A 61 13.504 1.207 4.651 1.00 0.00 O ATOM 0 H SER A 61 17.023 2.910 4.505 1.00 0.00 H new ATOM 0 HA SER A 61 14.299 3.542 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.210 1.203 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.480 1.218 5.230 1.00 0.00 H new ATOM 0 HG SER A 61 13.064 1.067 3.787 1.00 0.00 H new ATOM 880 N PHE A 62 13.704 4.722 5.803 1.00 0.00 N ATOM 881 CA PHE A 62 13.154 5.184 7.059 1.00 0.00 C ATOM 882 C PHE A 62 11.628 5.064 7.047 1.00 0.00 C ATOM 883 O PHE A 62 11.059 4.225 7.752 1.00 0.00 O ATOM 884 CB PHE A 62 13.621 6.623 7.356 1.00 0.00 C ATOM 885 CG PHE A 62 13.653 7.539 6.154 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.590 8.385 5.871 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.755 7.553 5.307 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.624 9.223 4.771 1.00 0.00 C ATOM 889 CE2 PHE A 62 14.791 8.389 4.207 1.00 0.00 C ATOM 890 CZ PHE A 62 13.725 9.222 3.938 1.00 0.00 C ATOM 0 H PHE A 62 13.400 5.245 4.982 1.00 0.00 H new ATOM 0 HA PHE A 62 13.525 4.552 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.962 7.056 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.619 6.584 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.725 8.389 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.593 6.903 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.790 9.877 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.654 8.390 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.752 9.873 3.077 1.00 0.00 H new ATOM 900 N TYR A 63 10.968 5.882 6.239 1.00 0.00 N ATOM 901 CA TYR A 63 9.517 5.861 6.139 1.00 0.00 C ATOM 902 C TYR A 63 9.070 5.819 4.672 1.00 0.00 C ATOM 903 O TYR A 63 9.212 6.800 3.945 1.00 0.00 O ATOM 904 CB TYR A 63 8.964 7.103 6.849 1.00 0.00 C ATOM 905 CG TYR A 63 7.449 7.242 6.810 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.625 6.429 7.589 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.845 8.199 5.999 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.244 6.566 7.555 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.464 8.340 5.961 1.00 0.00 C ATOM 910 CZ TYR A 63 4.675 7.520 6.739 1.00 0.00 C ATOM 911 OH TYR A 63 3.307 7.657 6.702 1.00 0.00 O ATOM 0 H TYR A 63 11.419 6.573 5.640 1.00 0.00 H new ATOM 0 HA TYR A 63 9.127 4.963 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.286 7.082 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.407 7.990 6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.069 5.681 8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.461 8.843 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.619 5.929 8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.011 9.087 5.326 1.00 0.00 H new ATOM 0 HH TYR A 63 3.075 8.509 6.278 1.00 0.00 H new ATOM 921 N LEU A 64 8.544 4.674 4.249 1.00 0.00 N ATOM 922 CA LEU A 64 8.033 4.507 2.887 1.00 0.00 C ATOM 923 C LEU A 64 6.506 4.496 2.892 1.00 0.00 C ATOM 924 O LEU A 64 5.887 3.704 3.607 1.00 0.00 O ATOM 925 CB LEU A 64 8.542 3.174 2.314 1.00 0.00 C ATOM 926 CG LEU A 64 9.913 3.197 1.627 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.509 1.800 1.592 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.769 3.746 0.215 1.00 0.00 C ATOM 0 H LEU A 64 8.459 3.841 4.832 1.00 0.00 H new ATOM 0 HA LEU A 64 8.383 5.338 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.581 2.448 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.808 2.810 1.595 1.00 0.00 H new ATOM 0 HG LEU A 64 10.584 3.843 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.482 1.832 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.628 1.429 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.845 1.135 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.745 3.761 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.090 3.112 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.369 4.759 0.258 1.00 0.00 H new ATOM 940 N LEU A 65 5.909 5.388 2.104 1.00 0.00 N ATOM 941 CA LEU A 65 4.454 5.507 1.993 1.00 0.00 C ATOM 942 C LEU A 65 4.065 5.842 0.552 1.00 0.00 C ATOM 943 O LEU A 65 4.756 6.605 -0.114 1.00 0.00 O ATOM 944 CB LEU A 65 3.997 6.630 2.944 1.00 0.00 C ATOM 945 CG LEU A 65 2.549 7.138 2.831 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.738 6.684 4.029 1.00 0.00 C ATOM 947 CD2 LEU A 65 2.523 8.655 2.745 1.00 0.00 C ATOM 0 H LEU A 65 6.421 6.051 1.522 1.00 0.00 H new ATOM 0 HA LEU A 65 3.973 4.567 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.148 6.282 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.661 7.482 2.796 1.00 0.00 H new ATOM 0 HG LEU A 65 2.111 6.723 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.716 7.050 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.731 5.595 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.184 7.080 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.491 8.997 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.978 9.078 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.081 8.979 1.867 1.00 0.00 H new ATOM 959 N TYR A 66 2.975 5.247 0.075 1.00 0.00 N ATOM 960 CA TYR A 66 2.430 5.542 -1.256 1.00 0.00 C ATOM 961 C TYR A 66 0.949 5.911 -1.124 1.00 0.00 C ATOM 962 O TYR A 66 0.308 5.512 -0.149 1.00 0.00 O ATOM 963 CB TYR A 66 2.593 4.321 -2.186 1.00 0.00 C ATOM 964 CG TYR A 66 4.042 4.003 -2.528 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.550 4.275 -3.794 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.904 3.438 -1.591 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.863 3.992 -4.118 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.222 3.158 -1.911 1.00 0.00 C ATOM 969 CZ TYR A 66 6.694 3.437 -3.174 1.00 0.00 C ATOM 970 OH TYR A 66 8.003 3.153 -3.494 1.00 0.00 O ATOM 0 H TYR A 66 2.443 4.549 0.594 1.00 0.00 H new ATOM 0 HA TYR A 66 2.976 6.379 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.141 3.450 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.042 4.502 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.905 4.717 -4.539 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.539 3.215 -0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.235 4.206 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.878 2.722 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 66 8.454 2.766 -2.715 1.00 0.00 H new ATOM 980 N TYR A 67 0.390 6.651 -2.088 1.00 0.00 N ATOM 981 CA TYR A 67 -1.003 7.082 -1.971 1.00 0.00 C ATOM 982 C TYR A 67 -1.816 6.765 -3.230 1.00 0.00 C ATOM 983 O TYR A 67 -1.321 6.889 -4.352 1.00 0.00 O ATOM 984 CB TYR A 67 -1.115 8.582 -1.627 1.00 0.00 C ATOM 985 CG TYR A 67 -0.449 9.548 -2.602 1.00 0.00 C ATOM 986 CD1 TYR A 67 -1.060 9.919 -3.799 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.782 10.118 -2.304 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.461 10.818 -4.662 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.384 11.016 -3.162 1.00 0.00 C ATOM 990 CZ TYR A 67 0.760 11.362 -4.337 1.00 0.00 C ATOM 991 OH TYR A 67 1.363 12.255 -5.194 1.00 0.00 O ATOM 0 H TYR A 67 0.868 6.956 -2.936 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.427 6.510 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.172 8.840 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.683 8.740 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.020 9.496 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.278 9.853 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.949 11.092 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.343 11.446 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 67 2.219 12.545 -4.815 1.00 0.00 H new ATOM 1001 N THR A 68 -3.059 6.334 -3.018 1.00 0.00 N ATOM 1002 CA THR A 68 -4.007 6.093 -4.103 1.00 0.00 C ATOM 1003 C THR A 68 -5.400 6.573 -3.673 1.00 0.00 C ATOM 1004 O THR A 68 -5.648 6.785 -2.483 1.00 0.00 O ATOM 1005 CB THR A 68 -4.055 4.599 -4.526 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.566 4.493 -5.859 1.00 0.00 O ATOM 1007 CG2 THR A 68 -4.930 3.770 -3.606 1.00 0.00 C ATOM 0 H THR A 68 -3.436 6.142 -2.090 1.00 0.00 H new ATOM 0 HA THR A 68 -3.671 6.655 -4.974 1.00 0.00 H new ATOM 0 HB THR A 68 -3.037 4.215 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.370 5.318 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.932 2.733 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.540 3.821 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.948 4.159 -3.624 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.298 6.733 -4.641 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.621 7.311 -4.405 1.00 0.00 C ATOM 1017 C GLU A 69 -8.645 6.180 -4.301 1.00 0.00 C ATOM 1018 O GLU A 69 -8.694 5.323 -5.185 1.00 0.00 O ATOM 1019 CB GLU A 69 -7.986 8.247 -5.576 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.265 9.042 -5.366 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.690 9.801 -6.606 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.583 9.316 -7.331 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.140 10.892 -6.862 1.00 0.00 O ATOM 0 H GLU A 69 -6.131 6.466 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.619 7.885 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.163 8.942 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.087 7.652 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.065 8.364 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.121 9.745 -4.546 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.458 6.146 -3.241 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.301 4.973 -3.012 1.00 0.00 C ATOM 1032 C PHE A 70 -11.747 5.295 -2.709 1.00 0.00 C ATOM 1033 O PHE A 70 -12.070 6.378 -2.283 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.706 4.122 -1.886 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.904 4.609 -0.461 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.164 4.880 0.057 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.810 4.756 0.375 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.323 5.292 1.364 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -8.972 5.171 1.687 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.230 5.435 2.176 1.00 0.00 C ATOM 0 H PHE A 70 -9.549 6.891 -2.550 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.311 4.419 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.129 3.120 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.635 4.029 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.033 4.766 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.819 4.545 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.311 5.502 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.109 5.287 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.356 5.755 3.200 1.00 0.00 H new ATOM 1050 N THR A 71 -12.614 4.329 -2.945 1.00 0.00 N ATOM 1051 CA THR A 71 -13.990 4.416 -2.492 1.00 0.00 C ATOM 1052 C THR A 71 -14.464 3.046 -1.972 1.00 0.00 C ATOM 1053 O THR A 71 -14.607 2.111 -2.754 1.00 0.00 O ATOM 1054 CB THR A 71 -14.877 4.918 -3.652 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.369 6.173 -4.125 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.315 5.099 -3.218 1.00 0.00 C ATOM 0 H THR A 71 -12.389 3.472 -3.450 1.00 0.00 H new ATOM 0 HA THR A 71 -14.065 5.125 -1.668 1.00 0.00 H new ATOM 0 HB THR A 71 -14.853 4.169 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.928 6.495 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.908 5.453 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.713 4.146 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.362 5.829 -2.410 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.677 2.885 -0.636 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.050 1.587 -0.075 1.00 0.00 C ATOM 1066 C PRO A 72 -16.433 1.145 -0.489 1.00 0.00 C ATOM 1067 O PRO A 72 -17.398 1.911 -0.482 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.983 1.761 1.448 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.614 3.191 1.716 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.574 3.934 0.403 1.00 0.00 C ATOM 0 HA PRO A 72 -14.375 0.813 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.942 1.519 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.245 1.086 1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.340 3.649 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.644 3.245 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.396 4.646 0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.650 4.502 0.299 1.00 0.00 H new ATOM 1078 N THR A 73 -16.492 -0.117 -0.832 1.00 0.00 N ATOM 1079 CA THR A 73 -17.697 -0.759 -1.290 1.00 0.00 C ATOM 1080 C THR A 73 -17.883 -2.050 -0.509 1.00 0.00 C ATOM 1081 O THR A 73 -16.934 -2.541 0.104 1.00 0.00 O ATOM 1082 CB THR A 73 -17.581 -1.080 -2.792 1.00 0.00 C ATOM 1083 OG1 THR A 73 -16.497 -1.999 -3.000 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.347 0.187 -3.608 1.00 0.00 C ATOM 0 H THR A 73 -15.685 -0.740 -0.800 1.00 0.00 H new ATOM 0 HA THR A 73 -18.550 -0.098 -1.135 1.00 0.00 H new ATOM 0 HB THR A 73 -18.517 -1.529 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.312 -2.075 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.269 -0.070 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.181 0.873 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.423 0.665 -3.282 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.091 -2.583 -0.497 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.344 -3.882 0.114 1.00 0.00 C ATOM 1094 C GLU A 74 -18.628 -5.025 -0.653 1.00 0.00 C ATOM 1095 O GLU A 74 -18.581 -6.168 -0.199 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.870 -4.115 0.204 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.256 -5.542 0.526 1.00 0.00 C ATOM 1098 CD GLU A 74 -20.879 -5.936 1.940 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.026 -6.831 2.110 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.426 -5.337 2.890 1.00 0.00 O ATOM 0 H GLU A 74 -19.915 -2.139 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.929 -3.886 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.283 -3.456 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.327 -3.831 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.331 -5.664 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.768 -6.216 -0.179 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.020 -4.709 -1.790 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.444 -5.740 -2.646 1.00 0.00 C ATOM 1109 C LYS A 75 -15.908 -5.760 -2.670 1.00 0.00 C ATOM 1110 O LYS A 75 -15.325 -6.836 -2.803 1.00 0.00 O ATOM 1111 CB LYS A 75 -17.976 -5.588 -4.083 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.496 -5.750 -4.244 1.00 0.00 C ATOM 1113 CD LYS A 75 -19.895 -7.190 -4.577 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.497 -8.178 -3.492 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.015 -9.543 -3.765 1.00 0.00 N ATOM 0 H LYS A 75 -17.913 -3.756 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.755 -6.690 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.691 -4.604 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.480 -6.324 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.991 -5.442 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.848 -5.086 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.974 -7.238 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.429 -7.483 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.410 -8.212 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.876 -7.832 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.721 -10.185 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.053 -9.517 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.634 -9.884 -4.670 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.238 -4.614 -2.551 1.00 0.00 N ATOM 1130 CA ASP A 76 -13.803 -4.589 -2.771 1.00 0.00 C ATOM 1131 C ASP A 76 -13.009 -4.467 -1.462 1.00 0.00 C ATOM 1132 O ASP A 76 -13.311 -3.641 -0.601 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.422 -3.459 -3.726 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.123 -3.551 -5.068 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.194 -2.925 -5.236 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -13.594 -4.234 -5.973 1.00 0.00 O ATOM 0 H ASP A 76 -15.657 -3.716 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.538 -5.545 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.663 -2.503 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.344 -3.474 -3.885 1.00 0.00 H new ATOM 1141 N GLU A 77 -11.995 -5.312 -1.361 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.065 -5.404 -0.230 1.00 0.00 C ATOM 1143 C GLU A 77 -9.788 -4.650 -0.621 1.00 0.00 C ATOM 1144 O GLU A 77 -9.382 -4.701 -1.786 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.815 -6.916 0.011 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.709 -7.310 0.978 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.388 -7.550 0.271 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.114 -8.726 -0.070 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.635 -6.596 0.040 1.00 0.00 O ATOM 0 H GLU A 77 -11.782 -5.987 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.445 -4.960 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.745 -7.355 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.596 -7.376 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.583 -6.524 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.002 -8.213 1.514 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.169 -3.933 0.310 1.00 0.00 N ATOM 1157 CA TYR A 78 -7.981 -3.135 -0.024 1.00 0.00 C ATOM 1158 C TYR A 78 -6.735 -3.715 0.631 1.00 0.00 C ATOM 1159 O TYR A 78 -6.694 -3.923 1.847 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.163 -1.670 0.394 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.160 -0.916 -0.455 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.735 -0.006 -1.415 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.525 -1.125 -0.305 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.642 0.675 -2.201 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.440 -0.445 -1.090 1.00 0.00 C ATOM 1166 CZ TYR A 78 -10.992 0.453 -2.037 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.896 1.129 -2.826 1.00 0.00 O ATOM 0 H TYR A 78 -9.458 -3.883 1.287 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.855 -3.171 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.486 -1.636 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.199 -1.164 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.678 0.171 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.878 -1.828 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.295 1.380 -2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.499 -0.616 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.790 1.063 -2.430 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.710 -3.962 -0.178 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.497 -4.617 0.286 1.00 0.00 C ATOM 1179 C ALA A 79 -3.250 -3.906 -0.236 1.00 0.00 C ATOM 1180 O ALA A 79 -3.331 -3.129 -1.182 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.502 -6.059 -0.183 1.00 0.00 C ATOM 0 H ALA A 79 -5.698 -3.715 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.474 -4.578 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.595 -6.557 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.374 -6.571 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.540 -6.087 -1.272 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.101 -4.150 0.385 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.841 -3.644 -0.151 1.00 0.00 C ATOM 1189 C CYS A 80 0.164 -4.780 -0.324 1.00 0.00 C ATOM 1190 O CYS A 80 0.323 -5.615 0.567 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.254 -2.556 0.742 1.00 0.00 C ATOM 1192 SG CYS A 80 1.406 -2.012 0.222 1.00 0.00 S ATOM 0 H CYS A 80 -2.015 -4.687 1.248 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.050 -3.205 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.925 -1.697 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.203 -2.925 1.766 1.00 0.00 H new ATOM 1197 N ARG A 81 0.813 -4.819 -1.485 1.00 0.00 N ATOM 1198 CA ARG A 81 1.753 -5.885 -1.825 1.00 0.00 C ATOM 1199 C ARG A 81 3.185 -5.369 -1.738 1.00 0.00 C ATOM 1200 O ARG A 81 3.480 -4.300 -2.262 1.00 0.00 O ATOM 1201 CB ARG A 81 1.502 -6.362 -3.256 1.00 0.00 C ATOM 1202 CG ARG A 81 2.137 -7.722 -3.585 1.00 0.00 C ATOM 1203 CD ARG A 81 1.106 -8.786 -4.006 1.00 0.00 C ATOM 1204 NE ARG A 81 1.446 -10.109 -3.486 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.224 -11.242 -4.150 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.687 -11.215 -5.362 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.548 -12.405 -3.606 1.00 0.00 N ATOM 0 H ARG A 81 0.703 -4.115 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 81 1.610 -6.706 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.427 -6.425 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.889 -5.615 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.864 -7.592 -4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.685 -8.081 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.118 -8.497 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.050 -8.827 -5.094 1.00 0.00 H new ATOM 0 HE ARG A 81 1.877 -10.168 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.441 -10.323 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.520 -12.086 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.968 -12.434 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.377 -13.272 -4.116 1.00 0.00 H new ATOM 1221 N VAL A 82 4.071 -6.112 -1.087 1.00 0.00 N ATOM 1222 CA VAL A 82 5.478 -5.736 -1.079 1.00 0.00 C ATOM 1223 C VAL A 82 6.372 -6.936 -1.374 1.00 0.00 C ATOM 1224 O VAL A 82 6.124 -8.055 -0.914 1.00 0.00 O ATOM 1225 CB VAL A 82 5.904 -5.047 0.244 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.228 -6.057 1.330 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.084 -4.123 0.003 1.00 0.00 C ATOM 0 H VAL A 82 3.847 -6.961 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 82 5.606 -5.004 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 82 5.058 -4.455 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.522 -5.532 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.349 -6.669 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.047 -6.696 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.371 -3.647 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.925 -4.699 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.805 -3.358 -0.722 1.00 0.00 H new ATOM 1237 N ASN A 83 7.374 -6.683 -2.197 1.00 0.00 N ATOM 1238 CA ASN A 83 8.347 -7.696 -2.574 1.00 0.00 C ATOM 1239 C ASN A 83 9.759 -7.164 -2.430 1.00 0.00 C ATOM 1240 O ASN A 83 10.033 -5.997 -2.723 1.00 0.00 O ATOM 1241 CB ASN A 83 8.102 -8.162 -4.012 1.00 0.00 C ATOM 1242 CG ASN A 83 8.947 -9.364 -4.393 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.312 -10.179 -3.545 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.247 -9.491 -5.676 1.00 0.00 N ATOM 0 H ASN A 83 7.537 -5.771 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 83 8.230 -8.548 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.048 -8.411 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.316 -7.341 -4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.800 -10.287 -5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.925 -8.793 -6.347 1.00 0.00 H new ATOM 1251 N HIS A 84 10.644 -8.027 -1.967 1.00 0.00 N ATOM 1252 CA HIS A 84 12.050 -7.704 -1.833 1.00 0.00 C ATOM 1253 C HIS A 84 12.869 -8.877 -2.359 1.00 0.00 C ATOM 1254 O HIS A 84 12.351 -9.988 -2.453 1.00 0.00 O ATOM 1255 CB HIS A 84 12.397 -7.405 -0.365 1.00 0.00 C ATOM 1256 CG HIS A 84 13.786 -6.883 -0.155 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.855 -7.731 -0.005 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.225 -5.602 -0.075 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.915 -6.957 0.159 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.580 -5.661 0.124 1.00 0.00 N ATOM 0 H HIS A 84 10.406 -8.974 -1.673 1.00 0.00 H new ATOM 0 HA HIS A 84 12.282 -6.810 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.685 -6.677 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.272 -8.317 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.623 -4.708 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.921 -7.323 0.303 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.213 -4.868 0.226 1.00 0.00 H new ATOM 1268 N VAL A 85 14.118 -8.630 -2.720 1.00 0.00 N ATOM 1269 CA VAL A 85 14.998 -9.685 -3.239 1.00 0.00 C ATOM 1270 C VAL A 85 15.078 -10.892 -2.291 1.00 0.00 C ATOM 1271 O VAL A 85 15.263 -12.028 -2.737 1.00 0.00 O ATOM 1272 CB VAL A 85 16.426 -9.156 -3.510 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.316 -10.257 -4.070 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.392 -7.969 -4.460 1.00 0.00 C ATOM 0 H VAL A 85 14.553 -7.709 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 85 14.553 -10.010 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 85 16.846 -8.825 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.315 -9.860 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.376 -11.076 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.895 -10.624 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.408 -7.614 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.945 -8.273 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.799 -7.168 -4.020 1.00 0.00 H new ATOM 1284 N THR A 86 14.916 -10.655 -0.994 1.00 0.00 N ATOM 1285 CA THR A 86 15.041 -11.742 -0.016 1.00 0.00 C ATOM 1286 C THR A 86 13.826 -12.674 -0.089 1.00 0.00 C ATOM 1287 O THR A 86 13.981 -13.895 -0.122 1.00 0.00 O ATOM 1288 CB THR A 86 15.253 -11.231 1.439 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.347 -12.337 2.348 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.127 -10.300 1.880 1.00 0.00 C ATOM 0 H THR A 86 14.702 -9.741 -0.596 1.00 0.00 H new ATOM 0 HA THR A 86 15.938 -12.300 -0.283 1.00 0.00 H new ATOM 0 HB THR A 86 16.186 -10.667 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.482 -12.001 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.311 -9.965 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.088 -9.437 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.177 -10.833 1.839 1.00 0.00 H new ATOM 1298 N LEU A 87 12.619 -12.103 -0.117 1.00 0.00 N ATOM 1299 CA LEU A 87 11.407 -12.905 -0.306 1.00 0.00 C ATOM 1300 C LEU A 87 11.424 -13.577 -1.675 1.00 0.00 C ATOM 1301 O LEU A 87 12.050 -13.088 -2.613 1.00 0.00 O ATOM 1302 CB LEU A 87 10.138 -12.050 -0.217 1.00 0.00 C ATOM 1303 CG LEU A 87 10.077 -11.048 0.933 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.921 -10.091 0.726 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.939 -11.766 2.269 1.00 0.00 C ATOM 0 H LEU A 87 12.455 -11.102 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 87 11.396 -13.649 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.027 -11.503 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.281 -12.718 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 87 11.008 -10.481 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.885 -9.380 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.058 -9.552 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.987 -10.651 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.897 -11.032 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.024 -12.359 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.796 -12.422 2.420 1.00 0.00 H new ATOM 1317 N SER A 88 10.734 -14.698 -1.780 1.00 0.00 N ATOM 1318 CA SER A 88 10.540 -15.362 -3.058 1.00 0.00 C ATOM 1319 C SER A 88 9.090 -15.161 -3.487 1.00 0.00 C ATOM 1320 O SER A 88 8.682 -15.545 -4.582 1.00 0.00 O ATOM 1321 CB SER A 88 10.864 -16.855 -2.931 1.00 0.00 C ATOM 1322 OG SER A 88 10.892 -17.496 -4.197 1.00 0.00 O ATOM 0 H SER A 88 10.295 -15.171 -0.990 1.00 0.00 H new ATOM 0 HA SER A 88 11.207 -14.938 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.829 -16.977 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.120 -17.336 -2.296 1.00 0.00 H new ATOM 0 HG SER A 88 10.280 -17.037 -4.810 1.00 0.00 H new ATOM 1328 N GLN A 89 8.325 -14.557 -2.588 1.00 0.00 N ATOM 1329 CA GLN A 89 6.913 -14.300 -2.804 1.00 0.00 C ATOM 1330 C GLN A 89 6.506 -12.989 -2.119 1.00 0.00 C ATOM 1331 O GLN A 89 6.744 -12.821 -0.924 1.00 0.00 O ATOM 1332 CB GLN A 89 6.068 -15.479 -2.268 1.00 0.00 C ATOM 1333 CG GLN A 89 6.234 -15.779 -0.774 1.00 0.00 C ATOM 1334 CD GLN A 89 7.555 -16.447 -0.426 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.552 -15.781 -0.137 1.00 0.00 O ATOM 1336 NE2 GLN A 89 7.573 -17.770 -0.449 1.00 0.00 N ATOM 0 H GLN A 89 8.671 -14.231 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 89 6.730 -14.203 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.017 -15.270 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.326 -16.375 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.150 -14.848 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.416 -16.421 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.728 -18.287 -0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.431 -18.272 -0.223 1.00 0.00 H new ATOM 1345 N PRO A 90 5.925 -12.013 -2.857 1.00 0.00 N ATOM 1346 CA PRO A 90 5.417 -10.792 -2.229 1.00 0.00 C ATOM 1347 C PRO A 90 4.253 -11.078 -1.300 1.00 0.00 C ATOM 1348 O PRO A 90 3.507 -12.044 -1.490 1.00 0.00 O ATOM 1349 CB PRO A 90 4.934 -9.912 -3.376 1.00 0.00 C ATOM 1350 CG PRO A 90 4.807 -10.823 -4.561 1.00 0.00 C ATOM 1351 CD PRO A 90 5.755 -11.999 -4.329 1.00 0.00 C ATOM 0 HA PRO A 90 6.196 -10.322 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.978 -9.446 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.640 -9.106 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.780 -11.172 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.064 -10.297 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.332 -12.935 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.706 -11.857 -4.843 1.00 0.00 H new ATOM 1359 N LYS A 91 4.078 -10.219 -0.319 1.00 0.00 N ATOM 1360 CA LYS A 91 3.030 -10.412 0.667 1.00 0.00 C ATOM 1361 C LYS A 91 1.910 -9.407 0.449 1.00 0.00 C ATOM 1362 O LYS A 91 2.143 -8.299 -0.032 1.00 0.00 O ATOM 1363 CB LYS A 91 3.566 -10.262 2.096 1.00 0.00 C ATOM 1364 CG LYS A 91 4.857 -11.024 2.386 1.00 0.00 C ATOM 1365 CD LYS A 91 4.714 -12.530 2.193 1.00 0.00 C ATOM 1366 CE LYS A 91 4.303 -13.240 3.480 1.00 0.00 C ATOM 1367 NZ LYS A 91 2.856 -13.077 3.790 1.00 0.00 N ATOM 0 H LYS A 91 4.644 -9.382 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 91 2.649 -11.426 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.734 -9.204 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.799 -10.599 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.647 -10.653 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.170 -10.822 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.972 -12.726 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.660 -12.941 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.534 -14.302 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.894 -12.851 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.540 -13.862 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.707 -12.175 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.309 -13.080 2.905 1.00 0.00 H new ATOM 1381 N ILE A 92 0.706 -9.818 0.790 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.440 -8.923 0.783 1.00 0.00 C ATOM 1383 C ILE A 92 -0.876 -8.614 2.208 1.00 0.00 C ATOM 1384 O ILE A 92 -0.949 -9.504 3.056 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.635 -9.473 -0.056 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.653 -8.826 -1.445 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.971 -9.248 0.635 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.378 -7.344 -1.420 1.00 0.00 C ATOM 0 H ILE A 92 0.492 -10.773 1.078 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.121 -8.001 0.297 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.490 -10.549 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.910 -9.315 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.625 -9.000 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.773 -9.647 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.972 -9.756 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.127 -8.180 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.406 -6.952 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.135 -6.844 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.393 -7.164 -0.989 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.113 -7.338 2.469 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.677 -6.896 3.731 1.00 0.00 C ATOM 1402 C VAL A 93 -3.019 -6.239 3.463 1.00 0.00 C ATOM 1403 O VAL A 93 -3.105 -5.306 2.674 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.751 -5.901 4.467 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.491 -4.652 3.641 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.331 -5.532 5.823 1.00 0.00 C ATOM 0 H VAL A 93 -0.920 -6.582 1.812 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.794 -7.768 4.375 1.00 0.00 H new ATOM 0 HB VAL A 93 0.207 -6.399 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.164 -3.979 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.014 -4.930 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.436 -4.149 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.664 -4.831 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.309 -5.069 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.436 -6.431 6.430 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.067 -6.729 4.090 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.397 -6.232 3.792 1.00 0.00 C ATOM 1418 C LYS A 94 -5.949 -5.444 4.972 1.00 0.00 C ATOM 1419 O LYS A 94 -5.641 -5.744 6.130 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.316 -7.391 3.439 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.706 -8.342 2.434 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.316 -9.730 2.545 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.993 -10.406 3.871 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.624 -11.751 3.970 1.00 0.00 N ATOM 0 H LYS A 94 -4.028 -7.461 4.800 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.340 -5.560 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.564 -7.940 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.251 -6.998 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.858 -7.956 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.629 -8.402 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.398 -9.658 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.951 -10.350 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.912 -10.502 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.340 -9.780 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.383 -12.181 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.657 -11.656 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.274 -12.356 3.200 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.758 -4.443 4.673 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.282 -3.537 5.694 1.00 0.00 C ATOM 1440 C TRP A 95 -8.563 -4.113 6.328 1.00 0.00 C ATOM 1441 O TRP A 95 -9.469 -4.574 5.634 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.523 -2.143 5.068 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.082 -1.097 6.002 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.613 -0.743 7.242 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.208 -0.236 5.745 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.387 0.249 7.780 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.375 0.580 6.888 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.099 -0.076 4.667 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.391 1.525 6.989 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.103 0.870 4.766 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.249 1.657 5.919 1.00 0.00 C ATOM 0 H TRP A 95 -7.071 -4.232 3.726 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.552 -3.430 6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.579 -1.777 4.665 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.206 -2.256 4.226 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.754 -1.185 7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.251 0.674 8.697 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.000 -0.681 3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.503 2.133 7.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.787 1.006 3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.050 2.380 5.968 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.606 -4.108 7.658 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.721 -4.696 8.413 1.00 0.00 C ATOM 1464 C ASP A 96 -11.002 -3.880 8.256 1.00 0.00 C ATOM 1465 O ASP A 96 -11.169 -2.859 8.929 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.384 -4.801 9.903 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.340 -5.855 10.211 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.698 -7.051 10.265 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.163 -5.493 10.420 1.00 0.00 O ATOM 0 H ASP A 96 -7.877 -3.701 8.244 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.882 -5.693 8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.028 -3.833 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.294 -5.028 10.459 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.905 -4.359 7.386 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.230 -3.757 7.198 1.00 0.00 C ATOM 1476 C ARG A 97 -13.903 -4.383 5.971 1.00 0.00 C ATOM 1477 O ARG A 97 -15.115 -4.268 5.779 1.00 0.00 O ATOM 1478 CB ARG A 97 -13.106 -2.222 7.041 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.882 -1.744 5.604 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.181 -1.629 4.802 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.932 -1.550 3.374 1.00 0.00 N ATOM 1482 CZ ARG A 97 -14.851 -1.810 2.453 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.111 -2.033 2.811 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.510 -1.876 1.178 1.00 0.00 N ATOM 0 H ARG A 97 -11.736 -5.173 6.795 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.847 -3.953 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.012 -1.756 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.279 -1.872 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.386 -0.773 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.209 -2.436 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.815 -2.490 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.729 -0.744 5.124 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.999 -1.280 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.374 -2.005 3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.815 -2.233 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.540 -1.727 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.217 -2.076 0.471 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.102 -5.072 5.169 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.529 -5.555 3.857 1.00 0.00 C ATOM 1500 C ASP A 98 -12.915 -6.907 3.522 1.00 0.00 C ATOM 1501 O ASP A 98 -13.419 -7.631 2.661 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.131 -4.569 2.766 1.00 0.00 C ATOM 1503 CG ASP A 98 -11.730 -3.994 2.911 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -10.765 -4.776 2.984 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -11.598 -2.749 2.915 1.00 0.00 O ATOM 0 H ASP A 98 -12.140 -5.313 5.406 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.613 -5.656 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.207 -5.067 1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.847 -3.748 2.758 1.00 0.00 H new ATOM 1510 N MET A 99 -11.823 -7.219 4.196 1.00 0.00 N ATOM 1511 CA MET A 99 -11.093 -8.471 3.987 1.00 0.00 C ATOM 1512 C MET A 99 -11.988 -9.703 4.130 1.00 0.00 C ATOM 1513 CB MET A 99 -9.875 -8.586 4.930 1.00 0.00 C ATOM 1514 CG MET A 99 -10.038 -7.942 6.326 1.00 0.00 C ATOM 1515 SD MET A 99 -11.583 -8.356 7.155 1.00 0.00 S ATOM 1516 CE MET A 99 -11.312 -10.086 7.540 1.00 0.00 C ATOM 0 H MET A 99 -11.411 -6.615 4.907 1.00 0.00 H new ATOM 0 HA MET A 99 -10.734 -8.441 2.958 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.642 -9.642 5.064 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.016 -8.130 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.205 -8.254 6.957 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.973 -6.859 6.224 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.089 -10.689 7.070 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.336 -10.394 7.164 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.346 -10.228 8.620 1.00 0.00 H new TER 1525 MET A 99