USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 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 31 HIS : no HE2:sc= -3.34! C(o=-8.6!,f=-17!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -5.24! C(o=-8.6!,f=-23!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.801 K(o=-2.3,f=-6.6!) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.51 X(o=-2.3,f=-2.7) USER MOD Single : A 6 MET CE :methyl 164:sc= -0.0791 (180deg=-0.437) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 125:sc= 0.628 USER MOD Single : A 17 ASN : amide:sc= -0.644 K(o=-0.64,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc=-0.00471 (180deg=-0.0764) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00757 USER MOD Single : A 24 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.15) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.32 USER MOD Single : A 33 SER OG : rot -81:sc= 0.711 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0858) USER MOD Single : A 42 ASN : amide:sc= -6.52! C(o=-6.5!,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00893 (180deg=-0.0857) USER MOD Single : A 51 HIS : no HE2:sc= 0.343 K(o=0.34,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 136:sc= 1.25 USER MOD Single : A 57 SER OG : rot -3:sc= 1.02 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -140:sc= -0.104 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -142:sc= 2.2 USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= -3.52! (180deg=-6.35!) USER MOD Single : A 78 TYR OH : rot -160:sc= 0.158 USER MOD Single : A 83 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -28:sc= 0.214 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -155:sc= -0.0394 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.181 -8.193 7.623 1.00 0.00 N ATOM 2 CA MET A 6 4.742 -8.006 7.516 1.00 0.00 C ATOM 3 C MET A 6 4.403 -6.533 7.316 1.00 0.00 C ATOM 4 O MET A 6 4.947 -5.661 7.997 1.00 0.00 O ATOM 5 CB MET A 6 4.044 -8.539 8.768 1.00 0.00 C ATOM 6 CG MET A 6 2.527 -8.407 8.730 1.00 0.00 C ATOM 7 SD MET A 6 1.788 -9.229 7.302 1.00 0.00 S ATOM 8 CE MET A 6 2.302 -10.921 7.582 1.00 0.00 C ATOM 0 HA MET A 6 4.388 -8.563 6.649 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.305 -9.589 8.899 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.424 -8.006 9.639 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.107 -8.829 9.643 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.259 -7.351 8.714 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.704 -11.590 6.963 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.355 -11.029 7.321 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.160 -11.175 8.632 1.00 0.00 H new ATOM 17 N ILE A 7 3.510 -6.268 6.375 1.00 0.00 N ATOM 18 CA ILE A 7 3.061 -4.910 6.087 1.00 0.00 C ATOM 19 C ILE A 7 1.835 -4.606 6.941 1.00 0.00 C ATOM 20 O ILE A 7 1.136 -5.523 7.368 1.00 0.00 O ATOM 21 CB ILE A 7 2.662 -4.761 4.589 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.620 -5.536 3.678 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.613 -3.296 4.158 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.982 -5.987 2.376 1.00 0.00 C ATOM 0 H ILE A 7 3.076 -6.983 5.791 1.00 0.00 H new ATOM 0 HA ILE A 7 3.876 -4.221 6.308 1.00 0.00 H new ATOM 0 HB ILE A 7 1.662 -5.182 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.483 -4.909 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.992 -6.410 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.331 -3.235 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.879 -2.763 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.594 -2.843 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.716 -6.529 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.136 -6.640 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.635 -5.116 1.820 1.00 0.00 H new ATOM 36 N GLN A 8 1.578 -3.335 7.202 1.00 0.00 N ATOM 37 CA GLN A 8 0.381 -2.941 7.921 1.00 0.00 C ATOM 38 C GLN A 8 -0.311 -1.805 7.181 1.00 0.00 C ATOM 39 O GLN A 8 0.237 -0.706 7.065 1.00 0.00 O ATOM 40 CB GLN A 8 0.735 -2.503 9.341 1.00 0.00 C ATOM 41 CG GLN A 8 1.356 -3.604 10.199 1.00 0.00 C ATOM 42 CD GLN A 8 1.697 -3.112 11.592 1.00 0.00 C ATOM 43 OE1 GLN A 8 0.887 -3.203 12.513 1.00 0.00 O ATOM 44 NE2 GLN A 8 2.896 -2.576 11.751 1.00 0.00 N ATOM 0 H GLN A 8 2.182 -2.561 6.927 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.294 -3.795 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.429 -1.664 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.167 -2.140 9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.664 -4.443 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.259 -3.976 9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.538 -2.520 10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.178 -2.219 12.664 1.00 0.00 H new ATOM 53 N VAL A 9 -1.494 -2.078 6.653 1.00 0.00 N ATOM 54 CA VAL A 9 -2.259 -1.056 5.952 1.00 0.00 C ATOM 55 C VAL A 9 -3.226 -0.337 6.881 1.00 0.00 C ATOM 56 O VAL A 9 -3.734 -0.910 7.850 1.00 0.00 O ATOM 57 CB VAL A 9 -3.043 -1.628 4.748 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.119 -1.822 3.558 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.716 -2.938 5.122 1.00 0.00 C ATOM 0 H VAL A 9 -1.944 -2.992 6.695 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.524 -0.343 5.579 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.818 -0.914 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.686 -2.225 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.684 -0.863 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.323 -2.517 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.263 -3.325 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.960 -3.662 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.409 -2.769 5.946 1.00 0.00 H new ATOM 69 N TYR A 10 -3.478 0.918 6.546 1.00 0.00 N ATOM 70 CA TYR A 10 -4.322 1.812 7.327 1.00 0.00 C ATOM 71 C TYR A 10 -4.928 2.851 6.396 1.00 0.00 C ATOM 72 O TYR A 10 -4.671 2.843 5.190 1.00 0.00 O ATOM 73 CB TYR A 10 -3.510 2.546 8.407 1.00 0.00 C ATOM 74 CG TYR A 10 -3.139 1.708 9.623 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.823 1.650 10.077 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.099 0.978 10.319 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.478 0.894 11.185 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.757 0.218 11.428 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.448 0.181 11.852 1.00 0.00 C ATOM 80 OH TYR A 10 -2.108 -0.571 12.952 1.00 0.00 O ATOM 0 H TYR A 10 -3.095 1.354 5.707 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.095 1.216 7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.594 2.925 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.082 3.411 8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.058 2.205 9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.127 1.004 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.453 0.864 11.524 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.514 -0.342 11.956 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.908 -1.011 13.307 1.00 0.00 H new ATOM 90 N SER A 11 -5.739 3.731 6.945 1.00 0.00 N ATOM 91 CA SER A 11 -6.236 4.871 6.188 1.00 0.00 C ATOM 92 C SER A 11 -6.011 6.175 6.945 1.00 0.00 C ATOM 93 O SER A 11 -5.863 6.182 8.168 1.00 0.00 O ATOM 94 CB SER A 11 -7.723 4.708 5.894 1.00 0.00 C ATOM 95 OG SER A 11 -7.973 3.508 5.182 1.00 0.00 O ATOM 0 H SER A 11 -6.070 3.683 7.909 1.00 0.00 H new ATOM 0 HA SER A 11 -5.682 4.910 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.284 4.704 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.078 5.560 5.314 1.00 0.00 H new ATOM 0 HG SER A 11 -8.634 2.971 5.667 1.00 0.00 H new ATOM 101 N ARG A 12 -5.989 7.276 6.198 1.00 0.00 N ATOM 102 CA ARG A 12 -5.772 8.603 6.774 1.00 0.00 C ATOM 103 C ARG A 12 -7.082 9.190 7.293 1.00 0.00 C ATOM 104 O ARG A 12 -7.084 10.113 8.105 1.00 0.00 O ATOM 105 CB ARG A 12 -5.170 9.548 5.722 1.00 0.00 C ATOM 106 CG ARG A 12 -3.925 10.279 6.199 1.00 0.00 C ATOM 107 CD ARG A 12 -4.220 11.197 7.369 1.00 0.00 C ATOM 108 NE ARG A 12 -4.898 12.424 6.954 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.392 13.320 7.803 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.314 13.111 9.113 1.00 0.00 N ATOM 111 NH2 ARG A 12 -5.965 14.423 7.341 1.00 0.00 N ATOM 0 H ARG A 12 -6.120 7.276 5.186 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.078 8.499 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.924 8.974 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.923 10.281 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.167 9.552 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.509 10.861 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.839 10.670 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.287 11.452 7.872 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.998 12.603 5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.875 12.262 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.694 13.800 9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.026 14.583 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.344 15.111 7.991 1.00 0.00 H new ATOM 125 N HIS A 13 -8.189 8.647 6.814 1.00 0.00 N ATOM 126 CA HIS A 13 -9.510 9.163 7.144 1.00 0.00 C ATOM 127 C HIS A 13 -10.420 8.015 7.574 1.00 0.00 C ATOM 128 O HIS A 13 -10.113 6.852 7.305 1.00 0.00 O ATOM 129 CB HIS A 13 -10.116 9.864 5.923 1.00 0.00 C ATOM 130 CG HIS A 13 -9.199 10.835 5.247 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.760 10.622 3.962 1.00 0.00 N ATOM 132 CD2 HIS A 13 -8.680 11.996 5.705 1.00 0.00 C ATOM 133 CE1 HIS A 13 -7.989 11.652 3.667 1.00 0.00 C ATOM 134 NE2 HIS A 13 -7.910 12.512 4.693 1.00 0.00 N ATOM 0 H HIS A 13 -8.199 7.841 6.189 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.417 9.878 7.961 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.421 9.108 5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.018 10.391 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.840 12.433 6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.486 11.785 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.379 13.383 4.717 1.00 0.00 H new ATOM 142 N PRO A 14 -11.549 8.320 8.243 1.00 0.00 N ATOM 143 CA PRO A 14 -12.505 7.297 8.673 1.00 0.00 C ATOM 144 C PRO A 14 -13.224 6.661 7.487 1.00 0.00 C ATOM 145 O PRO A 14 -13.724 7.361 6.602 1.00 0.00 O ATOM 146 CB PRO A 14 -13.509 8.043 9.563 1.00 0.00 C ATOM 147 CG PRO A 14 -12.985 9.441 9.720 1.00 0.00 C ATOM 148 CD PRO A 14 -11.976 9.677 8.622 1.00 0.00 C ATOM 0 HA PRO A 14 -12.003 6.482 9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.500 8.049 9.109 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.606 7.554 10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.798 10.164 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.523 9.569 10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.418 10.208 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.137 10.278 8.972 1.00 0.00 H new ATOM 156 N ALA A 15 -13.248 5.334 7.468 1.00 0.00 N ATOM 157 CA ALA A 15 -13.877 4.570 6.393 1.00 0.00 C ATOM 158 C ALA A 15 -15.350 4.924 6.218 1.00 0.00 C ATOM 159 O ALA A 15 -16.174 4.557 7.056 1.00 0.00 O ATOM 160 CB ALA A 15 -13.762 3.079 6.684 1.00 0.00 C ATOM 0 H ALA A 15 -12.832 4.755 8.197 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.355 4.824 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.233 2.514 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.710 2.802 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.261 2.853 7.626 1.00 0.00 H new ATOM 166 N GLU A 16 -15.688 5.645 5.154 1.00 0.00 N ATOM 167 CA GLU A 16 -17.093 5.853 4.822 1.00 0.00 C ATOM 168 C GLU A 16 -17.417 5.254 3.458 1.00 0.00 C ATOM 169 O GLU A 16 -16.787 5.600 2.456 1.00 0.00 O ATOM 170 CB GLU A 16 -17.458 7.338 4.830 1.00 0.00 C ATOM 171 CG GLU A 16 -18.168 7.789 6.087 1.00 0.00 C ATOM 172 CD GLU A 16 -19.467 7.045 6.319 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.462 7.357 5.629 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.502 6.151 7.195 1.00 0.00 O ATOM 0 H GLU A 16 -15.024 6.087 4.518 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.685 5.350 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.548 7.926 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.093 7.550 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.511 7.642 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.372 8.858 6.021 1.00 0.00 H new ATOM 181 N ASN A 17 -18.387 4.345 3.428 1.00 0.00 N ATOM 182 CA ASN A 17 -18.854 3.761 2.180 1.00 0.00 C ATOM 183 C ASN A 17 -19.385 4.856 1.252 1.00 0.00 C ATOM 184 O ASN A 17 -20.407 5.484 1.534 1.00 0.00 O ATOM 185 CB ASN A 17 -19.935 2.686 2.461 1.00 0.00 C ATOM 186 CG ASN A 17 -20.731 2.308 1.222 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.347 1.412 0.472 1.00 0.00 O ATOM 188 ND2 ASN A 17 -21.851 2.984 1.004 1.00 0.00 N ATOM 0 H ASN A 17 -18.865 3.997 4.259 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.018 3.272 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.456 1.794 2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.618 3.056 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.427 2.767 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.136 3.721 1.650 1.00 0.00 H new ATOM 195 N GLY A 18 -18.657 5.103 0.165 1.00 0.00 N ATOM 196 CA GLY A 18 -19.072 6.108 -0.805 1.00 0.00 C ATOM 197 C GLY A 18 -18.097 7.262 -0.944 1.00 0.00 C ATOM 198 O GLY A 18 -18.191 8.034 -1.895 1.00 0.00 O ATOM 0 H GLY A 18 -17.785 4.625 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.198 5.631 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.046 6.500 -0.514 1.00 0.00 H new ATOM 202 N LYS A 19 -17.165 7.402 -0.012 1.00 0.00 N ATOM 203 CA LYS A 19 -16.224 8.525 -0.070 1.00 0.00 C ATOM 204 C LYS A 19 -14.921 8.117 -0.720 1.00 0.00 C ATOM 205 O LYS A 19 -14.525 6.953 -0.682 1.00 0.00 O ATOM 206 CB LYS A 19 -15.892 9.065 1.325 1.00 0.00 C ATOM 207 CG LYS A 19 -17.066 9.199 2.281 1.00 0.00 C ATOM 208 CD LYS A 19 -18.204 10.048 1.743 1.00 0.00 C ATOM 209 CE LYS A 19 -17.766 11.472 1.418 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.217 12.181 2.604 1.00 0.00 N ATOM 0 H LYS A 19 -17.036 6.771 0.779 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.718 9.298 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.150 8.409 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.426 10.044 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.447 8.205 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.713 9.633 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.608 9.581 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.010 10.077 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.011 11.447 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.616 12.030 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.044 13.178 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.899 12.127 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.323 11.735 2.892 1.00 0.00 H new ATOM 224 N SER A 20 -14.264 9.089 -1.325 1.00 0.00 N ATOM 225 CA SER A 20 -12.917 8.903 -1.802 1.00 0.00 C ATOM 226 C SER A 20 -11.912 9.504 -0.826 1.00 0.00 C ATOM 227 O SER A 20 -12.099 10.614 -0.315 1.00 0.00 O ATOM 228 CB SER A 20 -12.753 9.481 -3.205 1.00 0.00 C ATOM 229 OG SER A 20 -13.545 10.645 -3.371 1.00 0.00 O ATOM 0 H SER A 20 -14.649 10.018 -1.496 1.00 0.00 H new ATOM 0 HA SER A 20 -12.718 7.833 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.705 9.722 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.039 8.734 -3.946 1.00 0.00 H new ATOM 0 HG SER A 20 -13.422 10.998 -4.277 1.00 0.00 H new ATOM 235 N ASN A 21 -10.844 8.764 -0.599 1.00 0.00 N ATOM 236 CA ASN A 21 -9.824 9.103 0.387 1.00 0.00 C ATOM 237 C ASN A 21 -8.515 8.517 -0.124 1.00 0.00 C ATOM 238 O ASN A 21 -8.351 8.369 -1.335 1.00 0.00 O ATOM 239 CB ASN A 21 -10.148 8.509 1.765 1.00 0.00 C ATOM 240 CG ASN A 21 -11.535 8.834 2.302 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.528 8.223 1.912 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.602 9.753 3.248 1.00 0.00 N ATOM 0 H ASN A 21 -10.653 7.896 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.770 10.185 0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.042 7.426 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.406 8.866 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.499 9.976 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.757 10.240 3.547 1.00 0.00 H new ATOM 249 N PHE A 22 -7.603 8.144 0.771 1.00 0.00 N ATOM 250 CA PHE A 22 -6.316 7.594 0.355 1.00 0.00 C ATOM 251 C PHE A 22 -5.973 6.331 1.136 1.00 0.00 C ATOM 252 O PHE A 22 -6.070 6.313 2.364 1.00 0.00 O ATOM 253 CB PHE A 22 -5.214 8.640 0.546 1.00 0.00 C ATOM 254 CG PHE A 22 -5.217 9.688 -0.523 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.052 11.030 -0.220 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.394 9.318 -1.840 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.059 11.982 -1.222 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.406 10.262 -2.848 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.237 11.598 -2.538 1.00 0.00 C ATOM 0 H PHE A 22 -7.730 8.212 1.781 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.388 7.330 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.338 9.118 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.245 8.142 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.917 11.335 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.525 8.275 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.925 13.025 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.547 9.957 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.244 12.341 -3.322 1.00 0.00 H new ATOM 269 N LEU A 23 -5.577 5.273 0.423 1.00 0.00 N ATOM 270 CA LEU A 23 -5.161 4.028 1.075 1.00 0.00 C ATOM 271 C LEU A 23 -3.689 4.124 1.431 1.00 0.00 C ATOM 272 O LEU A 23 -2.841 4.339 0.567 1.00 0.00 O ATOM 273 CB LEU A 23 -5.426 2.798 0.186 1.00 0.00 C ATOM 274 CG LEU A 23 -4.767 1.468 0.634 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.132 1.098 2.068 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.169 0.337 -0.303 1.00 0.00 C ATOM 0 H LEU A 23 -5.536 5.253 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.753 3.896 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.503 2.643 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.083 3.026 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.688 1.616 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.647 0.159 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.797 1.885 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.213 0.984 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.699 -0.591 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.253 0.220 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.844 0.571 -1.317 1.00 0.00 H new ATOM 288 N ASN A 24 -3.395 3.978 2.706 1.00 0.00 N ATOM 289 CA ASN A 24 -2.046 4.173 3.199 1.00 0.00 C ATOM 290 C ASN A 24 -1.416 2.846 3.620 1.00 0.00 C ATOM 291 O ASN A 24 -1.838 2.214 4.590 1.00 0.00 O ATOM 292 CB ASN A 24 -2.042 5.186 4.356 1.00 0.00 C ATOM 293 CG ASN A 24 -2.239 6.623 3.891 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.757 7.457 4.633 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.839 6.923 2.663 1.00 0.00 N ATOM 0 H ASN A 24 -4.075 3.724 3.423 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.439 4.578 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.832 4.927 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.097 5.111 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.957 7.871 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.413 6.206 2.076 1.00 0.00 H new ATOM 302 N CYS A 25 -0.409 2.428 2.863 1.00 0.00 N ATOM 303 CA CYS A 25 0.326 1.194 3.134 1.00 0.00 C ATOM 304 C CYS A 25 1.707 1.536 3.685 1.00 0.00 C ATOM 305 O CYS A 25 2.495 2.201 3.010 1.00 0.00 O ATOM 306 CB CYS A 25 0.475 0.379 1.836 1.00 0.00 C ATOM 307 SG CYS A 25 1.732 -0.934 1.916 1.00 0.00 S ATOM 0 H CYS A 25 -0.077 2.934 2.042 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.222 0.602 3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.487 -0.070 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.727 1.058 1.021 1.00 0.00 H new ATOM 312 N TYR A 26 1.993 1.113 4.911 1.00 0.00 N ATOM 313 CA TYR A 26 3.293 1.374 5.514 1.00 0.00 C ATOM 314 C TYR A 26 4.220 0.199 5.309 1.00 0.00 C ATOM 315 O TYR A 26 4.020 -0.868 5.894 1.00 0.00 O ATOM 316 CB TYR A 26 3.172 1.635 7.019 1.00 0.00 C ATOM 317 CG TYR A 26 2.266 2.782 7.393 1.00 0.00 C ATOM 318 CD1 TYR A 26 0.951 2.554 7.766 1.00 0.00 C ATOM 319 CD2 TYR A 26 2.725 4.089 7.366 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.111 3.604 8.097 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.897 5.144 7.700 1.00 0.00 C ATOM 322 CZ TYR A 26 0.590 4.897 8.063 1.00 0.00 C ATOM 323 OH TYR A 26 -0.241 5.947 8.392 1.00 0.00 O ATOM 0 H TYR A 26 1.347 0.591 5.503 1.00 0.00 H new ATOM 0 HA TYR A 26 3.697 2.261 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.806 0.729 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.166 1.830 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.576 1.542 7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.747 4.287 7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.913 3.412 8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.272 6.157 7.677 1.00 0.00 H new ATOM 0 HH TYR A 26 0.253 6.790 8.318 1.00 0.00 H new ATOM 333 N VAL A 27 5.229 0.387 4.485 1.00 0.00 N ATOM 334 CA VAL A 27 6.258 -0.612 4.315 1.00 0.00 C ATOM 335 C VAL A 27 7.450 -0.253 5.214 1.00 0.00 C ATOM 336 O VAL A 27 7.841 0.913 5.322 1.00 0.00 O ATOM 337 CB VAL A 27 6.659 -0.713 2.812 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.706 -1.791 2.556 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.416 -0.986 1.971 1.00 0.00 C ATOM 0 H VAL A 27 5.357 1.227 3.921 1.00 0.00 H new ATOM 0 HA VAL A 27 5.892 -1.594 4.613 1.00 0.00 H new ATOM 0 HB VAL A 27 7.106 0.240 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.948 -1.818 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.606 -1.567 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.313 -2.760 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.696 -1.057 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.960 -1.924 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.702 -0.173 2.102 1.00 0.00 H new ATOM 349 N SER A 28 7.980 -1.277 5.875 1.00 0.00 N ATOM 350 CA SER A 28 9.044 -1.146 6.871 1.00 0.00 C ATOM 351 C SER A 28 10.387 -0.825 6.206 1.00 0.00 C ATOM 352 O SER A 28 10.413 -0.434 5.038 1.00 0.00 O ATOM 353 CB SER A 28 9.077 -2.421 7.694 1.00 0.00 C ATOM 354 OG SER A 28 10.075 -2.396 8.702 1.00 0.00 O ATOM 0 H SER A 28 7.678 -2.241 5.732 1.00 0.00 H new ATOM 0 HA SER A 28 8.845 -0.307 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.102 -2.575 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.254 -3.270 7.034 1.00 0.00 H new ATOM 0 HG SER A 28 10.054 -3.237 9.204 1.00 0.00 H new ATOM 360 N GLY A 29 11.499 -0.978 6.935 1.00 0.00 N ATOM 361 CA GLY A 29 12.745 -0.319 6.561 1.00 0.00 C ATOM 362 C GLY A 29 13.473 -1.026 5.435 1.00 0.00 C ATOM 363 O GLY A 29 14.618 -1.454 5.586 1.00 0.00 O ATOM 0 H GLY A 29 11.557 -1.548 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.531 0.707 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.398 -0.267 7.432 1.00 0.00 H new ATOM 367 N PHE A 30 12.797 -1.133 4.311 1.00 0.00 N ATOM 368 CA PHE A 30 13.356 -1.677 3.092 1.00 0.00 C ATOM 369 C PHE A 30 13.843 -0.516 2.243 1.00 0.00 C ATOM 370 O PHE A 30 13.209 0.533 2.235 1.00 0.00 O ATOM 371 CB PHE A 30 12.274 -2.428 2.321 1.00 0.00 C ATOM 372 CG PHE A 30 11.656 -3.611 3.047 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.707 -3.424 4.049 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.007 -4.914 2.708 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.121 -4.504 4.690 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.428 -6.000 3.355 1.00 0.00 C ATOM 377 CZ PHE A 30 10.484 -5.790 4.342 1.00 0.00 C ATOM 0 H PHE A 30 11.825 -0.839 4.217 1.00 0.00 H new ATOM 0 HA PHE A 30 14.172 -2.360 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.480 -1.726 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.700 -2.782 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.423 -2.421 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.739 -5.084 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.382 -4.340 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.716 -7.006 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.030 -6.633 4.842 1.00 0.00 H new ATOM 387 N HIS A 31 14.937 -0.684 1.518 1.00 0.00 N ATOM 388 CA HIS A 31 15.476 0.424 0.727 1.00 0.00 C ATOM 389 C HIS A 31 14.559 0.776 -0.429 1.00 0.00 C ATOM 390 O HIS A 31 14.296 -0.057 -1.290 1.00 0.00 O ATOM 391 CB HIS A 31 16.880 0.133 0.180 1.00 0.00 C ATOM 392 CG HIS A 31 17.203 -1.318 -0.030 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.035 -1.984 0.835 1.00 0.00 N ATOM 394 CD2 HIS A 31 16.842 -2.158 -1.026 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.166 -3.203 0.348 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.463 -3.360 -0.784 1.00 0.00 N ATOM 0 H HIS A 31 15.464 -1.555 1.457 1.00 0.00 H new ATOM 0 HA HIS A 31 15.544 1.270 1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.996 0.654 -0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.613 0.555 0.867 1.00 0.00 H new ATOM 0 HD1 HIS A 31 18.465 -1.612 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.189 -1.928 -1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.764 -3.978 0.804 1.00 0.00 H new ATOM 404 N PRO A 32 14.087 2.039 -0.465 1.00 0.00 N ATOM 405 CA PRO A 32 13.204 2.554 -1.527 1.00 0.00 C ATOM 406 C PRO A 32 13.736 2.290 -2.935 1.00 0.00 C ATOM 407 O PRO A 32 13.008 2.422 -3.917 1.00 0.00 O ATOM 408 CB PRO A 32 13.163 4.064 -1.245 1.00 0.00 C ATOM 409 CG PRO A 32 13.401 4.172 0.222 1.00 0.00 C ATOM 410 CD PRO A 32 14.371 3.071 0.555 1.00 0.00 C ATOM 0 HA PRO A 32 12.229 2.066 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.927 4.595 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.202 4.495 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.811 5.148 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.471 4.058 0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.404 3.416 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.215 2.691 1.565 1.00 0.00 H new ATOM 418 N SER A 33 15.004 1.918 -3.026 1.00 0.00 N ATOM 419 CA SER A 33 15.604 1.589 -4.300 1.00 0.00 C ATOM 420 C SER A 33 15.235 0.175 -4.759 1.00 0.00 C ATOM 421 O SER A 33 14.777 0.003 -5.888 1.00 0.00 O ATOM 422 CB SER A 33 17.129 1.763 -4.237 1.00 0.00 C ATOM 423 OG SER A 33 17.755 1.212 -5.383 1.00 0.00 O ATOM 0 H SER A 33 15.634 1.838 -2.228 1.00 0.00 H new ATOM 0 HA SER A 33 15.203 2.282 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.374 2.822 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.516 1.280 -3.340 1.00 0.00 H new ATOM 0 HG SER A 33 17.839 0.242 -5.275 1.00 0.00 H new ATOM 429 N ASP A 34 15.407 -0.844 -3.906 1.00 0.00 N ATOM 430 CA ASP A 34 15.265 -2.225 -4.402 1.00 0.00 C ATOM 431 C ASP A 34 14.030 -2.930 -3.835 1.00 0.00 C ATOM 432 O ASP A 34 14.124 -4.084 -3.415 1.00 0.00 O ATOM 433 CB ASP A 34 16.507 -3.081 -4.088 1.00 0.00 C ATOM 434 CG ASP A 34 17.820 -2.402 -4.436 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.885 -1.686 -5.458 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.804 -2.592 -3.691 1.00 0.00 O ATOM 0 H ASP A 34 15.634 -0.752 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 34 15.151 -2.131 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.507 -3.330 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.438 -4.021 -4.636 1.00 0.00 H new ATOM 441 N ILE A 35 12.869 -2.264 -3.806 1.00 0.00 N ATOM 442 CA ILE A 35 11.653 -2.935 -3.364 1.00 0.00 C ATOM 443 C ILE A 35 10.504 -2.621 -4.301 1.00 0.00 C ATOM 444 O ILE A 35 10.576 -1.690 -5.103 1.00 0.00 O ATOM 445 CB ILE A 35 11.241 -2.578 -1.909 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.254 -1.395 -1.878 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.461 -2.291 -1.041 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.710 -1.100 -0.500 1.00 0.00 C ATOM 0 H ILE A 35 12.752 -1.288 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 35 11.878 -4.001 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 35 10.732 -3.448 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.754 -0.505 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.423 -1.608 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.138 -2.045 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.103 -3.172 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.016 -1.451 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.022 -0.256 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.182 -1.975 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.533 -0.855 0.171 1.00 0.00 H new ATOM 460 N GLU A 36 9.447 -3.406 -4.200 1.00 0.00 N ATOM 461 CA GLU A 36 8.335 -3.291 -5.094 1.00 0.00 C ATOM 462 C GLU A 36 7.033 -3.470 -4.329 1.00 0.00 C ATOM 463 O GLU A 36 6.631 -4.589 -4.005 1.00 0.00 O ATOM 464 CB GLU A 36 8.522 -4.369 -6.124 1.00 0.00 C ATOM 465 CG GLU A 36 8.352 -3.939 -7.578 1.00 0.00 C ATOM 466 CD GLU A 36 8.615 -5.075 -8.542 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.747 -5.609 -8.540 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.701 -5.431 -9.313 1.00 0.00 O ATOM 0 H GLU A 36 9.346 -4.136 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 36 8.287 -2.310 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.520 -4.790 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.812 -5.170 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.340 -3.563 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.033 -3.116 -7.794 1.00 0.00 H new ATOM 475 N VAL A 37 6.423 -2.353 -3.998 1.00 0.00 N ATOM 476 CA VAL A 37 5.157 -2.326 -3.263 1.00 0.00 C ATOM 477 C VAL A 37 4.044 -1.725 -4.129 1.00 0.00 C ATOM 478 O VAL A 37 4.248 -0.702 -4.790 1.00 0.00 O ATOM 479 CB VAL A 37 5.301 -1.530 -1.928 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.458 -0.550 -2.012 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.015 -0.795 -1.567 1.00 0.00 C ATOM 0 H VAL A 37 6.785 -1.428 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 37 4.889 -3.353 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 37 5.505 -2.253 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.542 -0.005 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.383 -1.095 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.280 0.154 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.156 -0.253 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.763 -0.091 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.205 -1.515 -1.451 1.00 0.00 H new ATOM 491 N ASP A 38 2.873 -2.364 -4.125 1.00 0.00 N ATOM 492 CA ASP A 38 1.731 -1.892 -4.912 1.00 0.00 C ATOM 493 C ASP A 38 0.455 -1.951 -4.066 1.00 0.00 C ATOM 494 O ASP A 38 0.398 -2.668 -3.067 1.00 0.00 O ATOM 495 CB ASP A 38 1.531 -2.740 -6.194 1.00 0.00 C ATOM 496 CG ASP A 38 2.665 -2.606 -7.189 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.667 -1.627 -7.961 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.538 -3.499 -7.225 1.00 0.00 O ATOM 0 H ASP A 38 2.690 -3.210 -3.586 1.00 0.00 H new ATOM 0 HA ASP A 38 1.938 -0.864 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.425 -3.788 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.599 -2.443 -6.675 1.00 0.00 H new ATOM 503 N LEU A 39 -0.573 -1.220 -4.489 1.00 0.00 N ATOM 504 CA LEU A 39 -1.851 -1.208 -3.782 1.00 0.00 C ATOM 505 C LEU A 39 -2.881 -2.009 -4.579 1.00 0.00 C ATOM 506 O LEU A 39 -3.066 -1.777 -5.778 1.00 0.00 O ATOM 507 CB LEU A 39 -2.337 0.230 -3.533 1.00 0.00 C ATOM 508 CG LEU A 39 -1.852 0.878 -2.217 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.343 1.071 -2.206 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.549 2.208 -1.974 1.00 0.00 C ATOM 0 H LEU A 39 -0.546 -0.628 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.718 -1.674 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.012 0.854 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.427 0.233 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.111 0.192 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.042 1.529 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.148 0.104 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.053 1.718 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.189 2.642 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.333 2.888 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.625 2.048 -1.908 1.00 0.00 H new ATOM 522 N LEU A 40 -3.527 -2.969 -3.919 1.00 0.00 N ATOM 523 CA LEU A 40 -4.368 -3.950 -4.600 1.00 0.00 C ATOM 524 C LEU A 40 -5.807 -3.971 -4.090 1.00 0.00 C ATOM 525 O LEU A 40 -6.144 -3.363 -3.075 1.00 0.00 O ATOM 526 CB LEU A 40 -3.826 -5.362 -4.392 1.00 0.00 C ATOM 527 CG LEU A 40 -2.372 -5.628 -4.774 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.189 -7.124 -4.954 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.965 -4.897 -6.045 1.00 0.00 C ATOM 0 H LEU A 40 -3.483 -3.088 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.355 -3.651 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.948 -5.616 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.453 -6.049 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.732 -5.253 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.155 -7.334 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.428 -7.635 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.852 -7.479 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.923 -5.119 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.596 -5.225 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.085 -3.823 -5.901 1.00 0.00 H new ATOM 541 N LYS A 41 -6.639 -4.709 -4.824 1.00 0.00 N ATOM 542 CA LYS A 41 -7.973 -5.091 -4.393 1.00 0.00 C ATOM 543 C LYS A 41 -8.081 -6.591 -4.506 1.00 0.00 C ATOM 544 O LYS A 41 -8.174 -7.092 -5.618 1.00 0.00 O ATOM 545 CB LYS A 41 -9.059 -4.502 -5.312 1.00 0.00 C ATOM 546 CG LYS A 41 -8.672 -3.168 -5.928 1.00 0.00 C ATOM 547 CD LYS A 41 -9.709 -2.615 -6.932 1.00 0.00 C ATOM 548 CE LYS A 41 -11.123 -2.461 -6.339 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.128 -1.648 -5.092 1.00 0.00 N ATOM 0 H LYS A 41 -6.396 -5.062 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.121 -4.725 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.274 -5.213 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.979 -4.376 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.529 -2.439 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.713 -3.278 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.369 -1.645 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.757 -3.279 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.775 -1.994 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.536 -3.448 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.109 -1.487 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.612 -2.155 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.667 -0.733 -5.272 1.00 0.00 H new ATOM 563 N ASN A 42 -8.094 -7.309 -3.392 1.00 0.00 N ATOM 564 CA ASN A 42 -8.240 -8.766 -3.441 1.00 0.00 C ATOM 565 C ASN A 42 -7.246 -9.371 -4.444 1.00 0.00 C ATOM 566 O ASN A 42 -7.594 -10.258 -5.224 1.00 0.00 O ATOM 567 CB ASN A 42 -9.681 -9.112 -3.874 1.00 0.00 C ATOM 568 CG ASN A 42 -10.745 -8.248 -3.251 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.362 -8.611 -2.257 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.983 -7.097 -3.882 1.00 0.00 N ATOM 0 H ASN A 42 -8.007 -6.919 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.035 -9.179 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.751 -9.027 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.883 -10.153 -3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.710 -6.469 -3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.438 -6.845 -4.706 1.00 0.00 H new ATOM 577 N GLY A 43 -6.014 -8.868 -4.426 1.00 0.00 N ATOM 578 CA GLY A 43 -5.004 -9.341 -5.360 1.00 0.00 C ATOM 579 C GLY A 43 -5.134 -8.768 -6.767 1.00 0.00 C ATOM 580 O GLY A 43 -4.681 -9.388 -7.729 1.00 0.00 O ATOM 0 H GLY A 43 -5.697 -8.143 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.018 -9.091 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.059 -10.428 -5.416 1.00 0.00 H new ATOM 584 N GLU A 44 -5.732 -7.595 -6.898 1.00 0.00 N ATOM 585 CA GLU A 44 -5.986 -7.004 -8.209 1.00 0.00 C ATOM 586 C GLU A 44 -5.462 -5.558 -8.211 1.00 0.00 C ATOM 587 O GLU A 44 -5.987 -4.706 -7.496 1.00 0.00 O ATOM 588 CB GLU A 44 -7.504 -7.079 -8.514 1.00 0.00 C ATOM 589 CG GLU A 44 -7.939 -6.704 -9.931 1.00 0.00 C ATOM 590 CD GLU A 44 -9.126 -5.766 -9.916 1.00 0.00 C ATOM 591 OE1 GLU A 44 -10.257 -6.248 -9.693 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.940 -4.556 -10.128 1.00 0.00 O ATOM 0 H GLU A 44 -6.053 -7.029 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.464 -7.551 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.842 -8.095 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.024 -6.425 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.108 -6.232 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.194 -7.607 -10.485 1.00 0.00 H new ATOM 599 N ARG A 45 -4.384 -5.326 -8.971 1.00 0.00 N ATOM 600 CA ARG A 45 -3.697 -4.023 -9.033 1.00 0.00 C ATOM 601 C ARG A 45 -4.683 -2.879 -9.302 1.00 0.00 C ATOM 602 O ARG A 45 -5.334 -2.842 -10.346 1.00 0.00 O ATOM 603 CB ARG A 45 -2.631 -4.070 -10.153 1.00 0.00 C ATOM 604 CG ARG A 45 -1.298 -3.400 -9.810 1.00 0.00 C ATOM 605 CD ARG A 45 -0.332 -3.369 -11.004 1.00 0.00 C ATOM 606 NE ARG A 45 -0.835 -2.533 -12.098 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.062 -1.986 -13.041 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.258 -2.101 -12.980 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.610 -1.300 -14.036 1.00 0.00 N ATOM 0 H ARG A 45 -3.959 -6.039 -9.564 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.225 -3.834 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.441 -5.112 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.041 -3.593 -11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.484 -2.381 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.830 -3.932 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.637 -2.992 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.173 -4.384 -11.368 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.839 -2.358 -12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.690 -2.610 -12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.841 -1.680 -13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.623 -1.189 -14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.018 -0.883 -14.755 1.00 0.00 H new ATOM 623 N ILE A 46 -4.771 -1.946 -8.343 1.00 0.00 N ATOM 624 CA ILE A 46 -5.677 -0.798 -8.428 1.00 0.00 C ATOM 625 C ILE A 46 -5.319 0.105 -9.603 1.00 0.00 C ATOM 626 O ILE A 46 -6.140 0.290 -10.499 1.00 0.00 O ATOM 627 CB ILE A 46 -5.642 0.017 -7.116 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.061 -0.884 -5.953 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.542 1.252 -7.206 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.945 -0.251 -4.588 1.00 0.00 C ATOM 0 H ILE A 46 -4.215 -1.969 -7.488 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.684 -1.184 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.626 0.373 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.094 -1.195 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.450 -1.786 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.496 1.805 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.202 1.891 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.570 0.940 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.264 -0.964 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.909 0.034 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.579 0.635 -4.543 1.00 0.00 H new ATOM 642 N GLU A 47 -4.150 0.759 -9.489 1.00 0.00 N ATOM 643 CA GLU A 47 -3.403 1.374 -10.614 1.00 0.00 C ATOM 644 C GLU A 47 -3.183 2.866 -10.391 1.00 0.00 C ATOM 645 O GLU A 47 -2.204 3.421 -10.887 1.00 0.00 O ATOM 646 CB GLU A 47 -4.047 1.183 -11.998 1.00 0.00 C ATOM 647 CG GLU A 47 -4.097 -0.257 -12.485 1.00 0.00 C ATOM 648 CD GLU A 47 -4.186 -0.350 -13.988 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.132 -0.520 -14.631 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.304 -0.248 -14.533 1.00 0.00 O ATOM 0 H GLU A 47 -3.682 0.881 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.454 0.837 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.063 1.577 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.495 1.779 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.207 -0.785 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.956 -0.759 -12.041 1.00 0.00 H new ATOM 657 N LYS A 48 -4.066 3.530 -9.643 1.00 0.00 N ATOM 658 CA LYS A 48 -3.948 4.976 -9.449 1.00 0.00 C ATOM 659 C LYS A 48 -2.977 5.285 -8.314 1.00 0.00 C ATOM 660 O LYS A 48 -3.275 6.111 -7.450 1.00 0.00 O ATOM 661 CB LYS A 48 -5.307 5.600 -9.093 1.00 0.00 C ATOM 662 CG LYS A 48 -6.486 5.183 -9.972 1.00 0.00 C ATOM 663 CD LYS A 48 -6.151 5.246 -11.452 1.00 0.00 C ATOM 664 CE LYS A 48 -7.385 4.991 -12.310 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.977 3.649 -12.061 1.00 0.00 N ATOM 0 H LYS A 48 -4.859 3.098 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.583 5.398 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.542 5.345 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.210 6.685 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.789 4.168 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.337 5.832 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.735 6.224 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.384 4.507 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.132 5.759 -12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.117 5.078 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.739 3.473 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.242 2.921 -12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.365 3.614 -11.097 1.00 0.00 H new ATOM 679 N VAL A 49 -1.817 4.657 -8.316 1.00 0.00 N ATOM 680 CA VAL A 49 -0.912 4.774 -7.191 1.00 0.00 C ATOM 681 C VAL A 49 0.406 5.362 -7.673 1.00 0.00 C ATOM 682 O VAL A 49 0.914 4.977 -8.725 1.00 0.00 O ATOM 683 CB VAL A 49 -0.688 3.408 -6.480 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.639 2.778 -6.854 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.782 3.560 -4.977 1.00 0.00 C ATOM 0 H VAL A 49 -1.482 4.066 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.360 5.438 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.480 2.742 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.750 1.827 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.671 2.608 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.452 3.445 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.622 2.592 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.022 4.262 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.770 3.936 -4.710 1.00 0.00 H new ATOM 695 N GLU A 50 0.925 6.323 -6.933 1.00 0.00 N ATOM 696 CA GLU A 50 2.174 6.981 -7.316 1.00 0.00 C ATOM 697 C GLU A 50 2.966 7.483 -6.120 1.00 0.00 C ATOM 698 O GLU A 50 2.518 8.364 -5.388 1.00 0.00 O ATOM 699 CB GLU A 50 1.894 8.149 -8.266 1.00 0.00 C ATOM 700 CG GLU A 50 1.833 7.743 -9.727 1.00 0.00 C ATOM 701 CD GLU A 50 3.185 7.286 -10.247 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.546 6.105 -10.047 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.898 8.117 -10.848 1.00 0.00 O ATOM 0 H GLU A 50 0.510 6.669 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 50 2.779 6.226 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.949 8.614 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.670 8.904 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.107 6.940 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.481 8.585 -10.323 1.00 0.00 H new ATOM 710 N HIS A 51 4.136 6.892 -5.916 1.00 0.00 N ATOM 711 CA HIS A 51 5.124 7.438 -5.003 1.00 0.00 C ATOM 712 C HIS A 51 6.495 7.348 -5.647 1.00 0.00 C ATOM 713 O HIS A 51 6.956 6.263 -6.016 1.00 0.00 O ATOM 714 CB HIS A 51 5.115 6.700 -3.657 1.00 0.00 C ATOM 715 CG HIS A 51 6.177 7.154 -2.693 1.00 0.00 C ATOM 716 ND1 HIS A 51 7.068 6.263 -2.147 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.425 8.388 -2.191 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.829 6.966 -1.330 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.478 8.261 -1.319 1.00 0.00 N ATOM 0 H HIS A 51 4.423 6.028 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 51 4.877 8.480 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.138 6.831 -3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.240 5.633 -3.841 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.129 5.262 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.895 9.298 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.635 6.551 -0.743 1.00 0.00 H new ATOM 727 N SER A 52 7.126 8.489 -5.823 1.00 0.00 N ATOM 728 CA SER A 52 8.460 8.534 -6.384 1.00 0.00 C ATOM 729 C SER A 52 9.494 8.596 -5.271 1.00 0.00 C ATOM 730 O SER A 52 9.311 9.292 -4.270 1.00 0.00 O ATOM 731 CB SER A 52 8.590 9.755 -7.298 1.00 0.00 C ATOM 732 OG SER A 52 7.547 9.782 -8.263 1.00 0.00 O ATOM 0 H SER A 52 6.736 9.401 -5.585 1.00 0.00 H new ATOM 0 HA SER A 52 8.635 7.631 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.561 10.666 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.556 9.735 -7.802 1.00 0.00 H new ATOM 0 HG SER A 52 7.650 10.572 -8.834 1.00 0.00 H new ATOM 738 N ASP A 53 10.569 7.845 -5.457 1.00 0.00 N ATOM 739 CA ASP A 53 11.608 7.716 -4.449 1.00 0.00 C ATOM 740 C ASP A 53 12.270 9.063 -4.166 1.00 0.00 C ATOM 741 O ASP A 53 12.558 9.820 -5.088 1.00 0.00 O ATOM 742 CB ASP A 53 12.625 6.650 -4.877 1.00 0.00 C ATOM 743 CG ASP A 53 13.194 6.875 -6.273 1.00 0.00 C ATOM 744 OD1 ASP A 53 14.421 7.024 -6.408 1.00 0.00 O ATOM 745 OD2 ASP A 53 12.413 6.895 -7.251 1.00 0.00 O ATOM 0 H ASP A 53 10.745 7.310 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 53 11.155 7.388 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.444 6.632 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.149 5.670 -4.841 1.00 0.00 H new ATOM 750 N LEU A 54 12.479 9.311 -2.864 1.00 0.00 N ATOM 751 CA LEU A 54 12.876 10.633 -2.274 1.00 0.00 C ATOM 752 C LEU A 54 13.933 11.406 -3.088 1.00 0.00 C ATOM 753 O LEU A 54 13.688 11.828 -4.214 1.00 0.00 O ATOM 754 CB LEU A 54 13.410 10.471 -0.818 1.00 0.00 C ATOM 755 CG LEU A 54 12.883 9.275 0.018 1.00 0.00 C ATOM 756 CD1 LEU A 54 11.367 9.136 -0.085 1.00 0.00 C ATOM 757 CD2 LEU A 54 13.587 7.968 -0.358 1.00 0.00 C ATOM 0 H LEU A 54 12.377 8.584 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 54 11.955 11.216 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.496 10.393 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.181 11.387 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 54 13.121 9.488 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.038 8.287 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.892 10.046 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.086 8.976 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.191 7.154 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.414 7.752 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.658 8.067 -0.178 1.00 0.00 H new ATOM 769 N SER A 55 15.073 11.696 -2.456 1.00 0.00 N ATOM 770 CA SER A 55 16.191 12.324 -3.154 1.00 0.00 C ATOM 771 C SER A 55 16.564 11.485 -4.363 1.00 0.00 C ATOM 772 O SER A 55 16.618 11.973 -5.494 1.00 0.00 O ATOM 773 CB SER A 55 17.387 12.446 -2.210 1.00 0.00 C ATOM 774 OG SER A 55 16.977 12.886 -0.927 1.00 0.00 O ATOM 0 H SER A 55 15.243 11.506 -1.468 1.00 0.00 H new ATOM 0 HA SER A 55 15.901 13.321 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.888 11.482 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.112 13.146 -2.624 1.00 0.00 H new ATOM 0 HG SER A 55 17.428 12.353 -0.239 1.00 0.00 H new ATOM 780 N PHE A 56 16.808 10.216 -4.099 1.00 0.00 N ATOM 781 CA PHE A 56 16.936 9.211 -5.125 1.00 0.00 C ATOM 782 C PHE A 56 16.799 7.853 -4.463 1.00 0.00 C ATOM 783 O PHE A 56 16.576 7.786 -3.252 1.00 0.00 O ATOM 784 CB PHE A 56 18.252 9.343 -5.921 1.00 0.00 C ATOM 785 CG PHE A 56 19.523 9.277 -5.114 1.00 0.00 C ATOM 786 CD1 PHE A 56 19.927 10.349 -4.332 1.00 0.00 C ATOM 787 CD2 PHE A 56 20.331 8.154 -5.169 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.110 10.301 -3.621 1.00 0.00 C ATOM 789 CE2 PHE A 56 21.514 8.097 -4.456 1.00 0.00 C ATOM 790 CZ PHE A 56 21.904 9.171 -3.681 1.00 0.00 C ATOM 0 H PHE A 56 16.924 9.854 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 56 16.147 9.343 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 56 18.280 8.553 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.235 10.292 -6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.308 11.233 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.033 7.312 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.414 11.145 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.133 7.213 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 56 22.828 9.128 -3.123 1.00 0.00 H new ATOM 800 N SER A 57 16.926 6.793 -5.235 1.00 0.00 N ATOM 801 CA SER A 57 16.615 5.458 -4.765 1.00 0.00 C ATOM 802 C SER A 57 17.412 5.075 -3.515 1.00 0.00 C ATOM 803 O SER A 57 16.869 4.469 -2.588 1.00 0.00 O ATOM 804 CB SER A 57 16.854 4.476 -5.901 1.00 0.00 C ATOM 805 OG SER A 57 16.048 4.807 -7.020 1.00 0.00 O ATOM 0 H SER A 57 17.247 6.832 -6.203 1.00 0.00 H new ATOM 0 HA SER A 57 15.567 5.428 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.906 4.489 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.627 3.463 -5.568 1.00 0.00 H new ATOM 0 HG SER A 57 15.472 5.567 -6.795 1.00 0.00 H new ATOM 811 N LYS A 58 18.684 5.436 -3.477 1.00 0.00 N ATOM 812 CA LYS A 58 19.506 5.147 -2.314 1.00 0.00 C ATOM 813 C LYS A 58 19.635 6.391 -1.441 1.00 0.00 C ATOM 814 O LYS A 58 20.448 7.273 -1.712 1.00 0.00 O ATOM 815 CB LYS A 58 20.889 4.647 -2.735 1.00 0.00 C ATOM 816 CG LYS A 58 21.726 4.148 -1.566 1.00 0.00 C ATOM 817 CD LYS A 58 23.098 3.670 -2.009 1.00 0.00 C ATOM 818 CE LYS A 58 23.007 2.502 -2.975 1.00 0.00 C ATOM 819 NZ LYS A 58 24.347 1.943 -3.296 1.00 0.00 N ATOM 0 H LYS A 58 19.166 5.925 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 58 19.021 4.359 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.772 3.842 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.423 5.454 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.840 4.948 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.202 3.333 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.633 4.493 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.679 3.374 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.382 1.721 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.520 2.828 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.242 1.148 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.936 2.681 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.802 1.608 -2.423 1.00 0.00 H new ATOM 833 N ASP A 59 18.820 6.458 -0.402 1.00 0.00 N ATOM 834 CA ASP A 59 18.824 7.596 0.509 1.00 0.00 C ATOM 835 C ASP A 59 18.580 7.105 1.935 1.00 0.00 C ATOM 836 O ASP A 59 19.445 7.252 2.803 1.00 0.00 O ATOM 837 CB ASP A 59 17.773 8.642 0.066 1.00 0.00 C ATOM 838 CG ASP A 59 17.731 9.875 0.954 1.00 0.00 C ATOM 839 OD1 ASP A 59 17.193 9.799 2.077 1.00 0.00 O ATOM 840 OD2 ASP A 59 18.213 10.943 0.516 1.00 0.00 O ATOM 0 H ASP A 59 18.142 5.734 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 59 19.796 8.088 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.987 8.949 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.788 8.175 0.060 1.00 0.00 H new ATOM 845 N TRP A 60 17.422 6.471 2.138 1.00 0.00 N ATOM 846 CA TRP A 60 17.016 5.890 3.425 1.00 0.00 C ATOM 847 C TRP A 60 15.531 5.565 3.324 1.00 0.00 C ATOM 848 O TRP A 60 14.818 6.187 2.537 1.00 0.00 O ATOM 849 CB TRP A 60 17.258 6.872 4.571 1.00 0.00 C ATOM 850 CG TRP A 60 17.680 6.239 5.870 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.073 6.913 7.001 1.00 0.00 C ATOM 852 CD2 TRP A 60 17.770 4.831 6.195 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.402 6.030 7.983 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.226 4.758 7.523 1.00 0.00 C ATOM 855 CE3 TRP A 60 17.523 3.621 5.509 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.431 3.560 8.179 1.00 0.00 C ATOM 857 CZ3 TRP A 60 17.731 2.425 6.172 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.183 2.401 7.494 1.00 0.00 C ATOM 0 H TRP A 60 16.727 6.344 1.402 1.00 0.00 H new ATOM 0 HA TRP A 60 17.602 4.995 3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 60 18.025 7.584 4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 60 16.344 7.441 4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.115 7.988 7.097 1.00 0.00 H new ATOM 0 HE1 TRP A 60 18.729 6.280 8.916 1.00 0.00 H new ATOM 0 HE3 TRP A 60 17.178 3.630 4.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.777 3.538 9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 17.541 1.494 5.659 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.339 1.451 7.984 1.00 0.00 H new ATOM 869 N SER A 61 15.063 4.592 4.088 1.00 0.00 N ATOM 870 CA SER A 61 13.680 4.172 3.989 1.00 0.00 C ATOM 871 C SER A 61 12.793 4.921 4.984 1.00 0.00 C ATOM 872 O SER A 61 11.773 5.463 4.567 1.00 0.00 O ATOM 873 CB SER A 61 13.571 2.650 4.145 1.00 0.00 C ATOM 874 OG SER A 61 14.242 2.209 5.315 1.00 0.00 O ATOM 0 H SER A 61 15.617 4.083 4.777 1.00 0.00 H new ATOM 0 HA SER A 61 13.313 4.429 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.521 2.360 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.998 2.160 3.270 1.00 0.00 H new ATOM 0 HG SER A 61 14.713 1.371 5.126 1.00 0.00 H new ATOM 880 N PHE A 62 13.192 4.961 6.284 1.00 0.00 N ATOM 881 CA PHE A 62 12.464 5.669 7.357 1.00 0.00 C ATOM 882 C PHE A 62 10.960 5.831 7.107 1.00 0.00 C ATOM 883 O PHE A 62 10.420 6.934 7.241 1.00 0.00 O ATOM 884 CB PHE A 62 13.124 7.021 7.690 1.00 0.00 C ATOM 885 CG PHE A 62 13.626 7.827 6.521 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.856 8.035 5.387 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.887 8.387 6.578 1.00 0.00 C ATOM 888 CE1 PHE A 62 13.342 8.781 4.331 1.00 0.00 C ATOM 889 CE2 PHE A 62 15.378 9.133 5.530 1.00 0.00 C ATOM 890 CZ PHE A 62 14.606 9.330 4.402 1.00 0.00 C ATOM 0 H PHE A 62 14.038 4.496 6.613 1.00 0.00 H new ATOM 0 HA PHE A 62 12.541 5.018 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.403 7.627 8.239 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.962 6.836 8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.865 7.609 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.497 8.238 7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.734 8.934 3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.366 9.564 5.590 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.991 9.912 3.578 1.00 0.00 H new ATOM 900 N TYR A 63 10.321 4.721 6.708 1.00 0.00 N ATOM 901 CA TYR A 63 8.866 4.638 6.538 1.00 0.00 C ATOM 902 C TYR A 63 8.471 5.018 5.110 1.00 0.00 C ATOM 903 O TYR A 63 8.540 6.177 4.698 1.00 0.00 O ATOM 904 CB TYR A 63 8.113 5.464 7.602 1.00 0.00 C ATOM 905 CG TYR A 63 7.533 4.610 8.720 1.00 0.00 C ATOM 906 CD1 TYR A 63 8.267 3.563 9.270 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.252 4.844 9.218 1.00 0.00 C ATOM 908 CE1 TYR A 63 7.746 2.773 10.281 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.725 4.055 10.236 1.00 0.00 C ATOM 910 CZ TYR A 63 6.479 3.022 10.758 1.00 0.00 C ATOM 911 OH TYR A 63 5.965 2.235 11.766 1.00 0.00 O ATOM 0 H TYR A 63 10.805 3.849 6.493 1.00 0.00 H new ATOM 0 HA TYR A 63 8.564 3.603 6.696 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.793 6.200 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.307 6.018 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 63 9.262 3.363 8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.660 5.649 8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.331 1.965 10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.733 4.249 10.616 1.00 0.00 H new ATOM 0 HH TYR A 63 5.061 2.540 11.991 1.00 0.00 H new ATOM 921 N LEU A 64 8.049 3.996 4.378 1.00 0.00 N ATOM 922 CA LEU A 64 7.704 4.097 2.958 1.00 0.00 C ATOM 923 C LEU A 64 6.185 4.059 2.804 1.00 0.00 C ATOM 924 O LEU A 64 5.535 3.137 3.300 1.00 0.00 O ATOM 925 CB LEU A 64 8.320 2.889 2.233 1.00 0.00 C ATOM 926 CG LEU A 64 9.638 3.127 1.482 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.413 1.822 1.348 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.353 3.704 0.105 1.00 0.00 C ATOM 0 H LEU A 64 7.933 3.056 4.756 1.00 0.00 H new ATOM 0 HA LEU A 64 8.084 5.028 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.486 2.101 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.587 2.511 1.520 1.00 0.00 H new ATOM 0 HG LEU A 64 10.241 3.836 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.345 2.006 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.635 1.427 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.814 1.098 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.293 3.870 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.738 3.005 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.824 4.651 0.210 1.00 0.00 H new ATOM 940 N LEU A 65 5.620 5.059 2.132 1.00 0.00 N ATOM 941 CA LEU A 65 4.174 5.138 1.942 1.00 0.00 C ATOM 942 C LEU A 65 3.822 5.520 0.499 1.00 0.00 C ATOM 943 O LEU A 65 4.474 6.369 -0.100 1.00 0.00 O ATOM 944 CB LEU A 65 3.587 6.180 2.901 1.00 0.00 C ATOM 945 CG LEU A 65 2.102 6.483 2.710 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.260 5.255 3.008 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.680 7.648 3.590 1.00 0.00 C ATOM 0 H LEU A 65 6.142 5.827 1.710 1.00 0.00 H new ATOM 0 HA LEU A 65 3.750 4.156 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.742 5.836 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.147 7.108 2.789 1.00 0.00 H new ATOM 0 HG LEU A 65 1.940 6.761 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.206 5.493 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.544 4.447 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.425 4.942 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.619 7.851 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.859 7.398 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.259 8.533 3.325 1.00 0.00 H new ATOM 959 N TYR A 66 2.773 4.898 -0.031 1.00 0.00 N ATOM 960 CA TYR A 66 2.274 5.171 -1.383 1.00 0.00 C ATOM 961 C TYR A 66 0.807 5.596 -1.283 1.00 0.00 C ATOM 962 O TYR A 66 0.176 5.342 -0.258 1.00 0.00 O ATOM 963 CB TYR A 66 2.405 3.913 -2.267 1.00 0.00 C ATOM 964 CG TYR A 66 3.840 3.576 -2.655 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.216 3.499 -3.991 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.816 3.340 -1.693 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.514 3.195 -4.358 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.118 3.038 -2.053 1.00 0.00 C ATOM 969 CZ TYR A 66 6.459 2.967 -3.385 1.00 0.00 C ATOM 970 OH TYR A 66 7.753 2.663 -3.747 1.00 0.00 O ATOM 0 H TYR A 66 2.239 4.185 0.466 1.00 0.00 H new ATOM 0 HA TYR A 66 2.861 5.968 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.973 3.063 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.818 4.056 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.478 3.681 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.554 3.393 -0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.784 3.137 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.863 2.859 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 66 8.296 2.532 -2.942 1.00 0.00 H new ATOM 980 N TYR A 67 0.247 6.232 -2.318 1.00 0.00 N ATOM 981 CA TYR A 67 -1.132 6.718 -2.212 1.00 0.00 C ATOM 982 C TYR A 67 -1.961 6.460 -3.476 1.00 0.00 C ATOM 983 O TYR A 67 -1.476 6.632 -4.599 1.00 0.00 O ATOM 984 CB TYR A 67 -1.191 8.209 -1.817 1.00 0.00 C ATOM 985 CG TYR A 67 -0.311 9.168 -2.614 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.832 9.723 -2.040 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.637 9.553 -3.915 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.615 10.627 -2.733 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.148 10.451 -4.613 1.00 0.00 C ATOM 990 CZ TYR A 67 1.269 10.984 -4.018 1.00 0.00 C ATOM 991 OH TYR A 67 2.042 11.887 -4.710 1.00 0.00 O ATOM 0 H TYR A 67 0.708 6.418 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.585 6.135 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.225 8.543 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.918 8.293 -0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.111 9.441 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.518 9.142 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.493 11.051 -2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.117 10.733 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 67 1.661 12.029 -5.602 1.00 0.00 H new ATOM 1001 N THR A 68 -3.212 6.028 -3.271 1.00 0.00 N ATOM 1002 CA THR A 68 -4.166 5.816 -4.358 1.00 0.00 C ATOM 1003 C THR A 68 -5.576 6.220 -3.899 1.00 0.00 C ATOM 1004 O THR A 68 -5.919 6.074 -2.720 1.00 0.00 O ATOM 1005 CB THR A 68 -4.175 4.336 -4.843 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.699 4.262 -6.171 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.017 3.436 -3.949 1.00 0.00 C ATOM 0 H THR A 68 -3.587 5.817 -2.346 1.00 0.00 H new ATOM 0 HA THR A 68 -3.855 6.439 -5.197 1.00 0.00 H new ATOM 0 HB THR A 68 -3.142 3.989 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.700 3.329 -6.471 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.990 2.416 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.618 3.455 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.047 3.793 -3.940 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.361 6.774 -4.824 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.761 7.138 -4.558 1.00 0.00 C ATOM 1017 C GLU A 69 -8.614 5.883 -4.351 1.00 0.00 C ATOM 1018 O GLU A 69 -8.486 4.917 -5.103 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.340 7.946 -5.738 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.758 8.449 -5.498 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.235 9.358 -6.606 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.324 8.903 -7.767 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.528 10.537 -6.322 1.00 0.00 O ATOM 0 H GLU A 69 -6.051 6.983 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.783 7.745 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.690 8.798 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.331 7.323 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.434 7.598 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.796 8.984 -4.549 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.489 5.892 -3.345 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.360 4.749 -3.101 1.00 0.00 C ATOM 1032 C PHE A 70 -11.794 5.178 -2.830 1.00 0.00 C ATOM 1033 O PHE A 70 -12.055 6.340 -2.541 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.830 3.904 -1.930 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.968 4.498 -0.541 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.196 4.911 -0.042 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.861 4.608 0.278 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.311 5.420 1.233 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -8.974 5.123 1.560 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.202 5.526 2.034 1.00 0.00 C ATOM 0 H PHE A 70 -9.611 6.669 -2.695 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.359 4.143 -4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.347 2.944 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.774 3.700 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.076 4.832 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.895 4.289 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.275 5.736 1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.099 5.208 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.292 5.925 3.034 1.00 0.00 H new ATOM 1050 N THR A 71 -12.715 4.236 -2.964 1.00 0.00 N ATOM 1051 CA THR A 71 -14.063 4.390 -2.442 1.00 0.00 C ATOM 1052 C THR A 71 -14.546 3.053 -1.860 1.00 0.00 C ATOM 1053 O THR A 71 -14.745 2.095 -2.608 1.00 0.00 O ATOM 1054 CB THR A 71 -15.010 4.874 -3.565 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.501 6.095 -4.120 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.419 5.103 -3.047 1.00 0.00 C ATOM 0 H THR A 71 -12.550 3.347 -3.436 1.00 0.00 H new ATOM 0 HA THR A 71 -14.064 5.136 -1.648 1.00 0.00 H new ATOM 0 HB THR A 71 -15.054 4.099 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.098 6.404 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.056 5.442 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.814 4.171 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.400 5.860 -2.263 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.701 2.936 -0.514 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.055 1.660 0.104 1.00 0.00 C ATOM 1066 C PRO A 72 -16.482 1.241 -0.170 1.00 0.00 C ATOM 1067 O PRO A 72 -17.405 2.055 -0.210 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.847 1.866 1.612 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.440 3.298 1.811 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.556 4.015 0.489 1.00 0.00 C ATOM 0 HA PRO A 72 -14.437 0.863 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.763 1.646 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.079 1.191 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.077 3.773 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.417 3.353 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.416 4.685 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.674 4.624 0.290 1.00 0.00 H new ATOM 1078 N THR A 73 -16.619 -0.051 -0.358 1.00 0.00 N ATOM 1079 CA THR A 73 -17.893 -0.707 -0.547 1.00 0.00 C ATOM 1080 C THR A 73 -17.881 -1.954 0.321 1.00 0.00 C ATOM 1081 O THR A 73 -16.809 -2.405 0.736 1.00 0.00 O ATOM 1082 CB THR A 73 -18.105 -1.124 -2.020 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.185 -2.170 -2.353 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.904 0.054 -2.964 1.00 0.00 C ATOM 0 H THR A 73 -15.826 -0.692 -0.384 1.00 0.00 H new ATOM 0 HA THR A 73 -18.699 -0.025 -0.278 1.00 0.00 H new ATOM 0 HB THR A 73 -19.130 -1.476 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.861 -2.041 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.060 -0.273 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.618 0.841 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.890 0.438 -2.856 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.045 -2.498 0.626 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.121 -3.760 1.353 1.00 0.00 C ATOM 1094 C GLU A 74 -18.626 -4.948 0.514 1.00 0.00 C ATOM 1095 O GLU A 74 -18.665 -6.089 0.974 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.555 -4.017 1.850 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.607 -4.193 0.765 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.698 -3.041 -0.214 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.847 -1.889 0.228 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.623 -3.291 -1.437 1.00 0.00 O ATOM 0 H GLU A 74 -19.949 -2.091 0.385 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.457 -3.671 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.549 -4.911 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.853 -3.185 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.391 -5.107 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.580 -4.329 1.238 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.178 -4.692 -0.718 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.718 -5.767 -1.590 1.00 0.00 C ATOM 1109 C LYS A 75 -16.215 -5.700 -1.887 1.00 0.00 C ATOM 1110 O LYS A 75 -15.562 -6.740 -1.986 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.502 -5.759 -2.909 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.024 -5.879 -2.767 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.499 -7.320 -2.578 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.532 -7.754 -1.117 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.650 -7.115 -0.375 1.00 0.00 N ATOM 0 H LYS A 75 -18.126 -3.759 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.900 -6.697 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.275 -4.836 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.146 -6.581 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.351 -5.281 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.499 -5.460 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.496 -7.426 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.842 -7.988 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.632 -8.838 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.586 -7.497 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.308 -6.783 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.012 -6.307 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.413 -7.807 -0.233 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.656 -4.503 -2.045 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.270 -4.388 -2.489 1.00 0.00 C ATOM 1131 C ASP A 76 -13.297 -4.328 -1.302 1.00 0.00 C ATOM 1132 O ASP A 76 -13.433 -3.482 -0.422 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.048 -3.150 -3.367 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.902 -3.111 -4.619 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -16.000 -2.518 -4.583 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.453 -3.632 -5.659 1.00 0.00 O ATOM 0 H ASP A 76 -16.130 -3.616 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.070 -5.283 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.252 -2.258 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.998 -3.108 -3.656 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.310 -5.219 -1.326 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.252 -5.327 -0.309 1.00 0.00 C ATOM 1143 C GLU A 77 -10.026 -4.529 -0.763 1.00 0.00 C ATOM 1144 O GLU A 77 -9.788 -4.397 -1.970 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.870 -6.807 -0.161 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.636 -7.080 0.683 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.098 -8.481 0.488 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.213 -8.664 -0.376 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.556 -9.410 1.187 1.00 0.00 O ATOM 0 H GLU A 77 -12.216 -5.908 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.605 -4.932 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.714 -7.341 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.709 -7.224 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.860 -6.358 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.879 -6.931 1.735 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.253 -3.992 0.176 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.021 -3.285 -0.179 1.00 0.00 C ATOM 1158 C TYR A 78 -6.794 -3.925 0.477 1.00 0.00 C ATOM 1159 O TYR A 78 -6.782 -4.185 1.680 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.128 -1.802 0.200 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.159 -1.047 -0.612 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.778 -0.216 -1.656 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.514 -1.173 -0.337 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.720 0.469 -2.404 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.461 -0.489 -1.080 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.059 0.328 -2.110 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.000 0.998 -2.860 1.00 0.00 O ATOM 0 H TYR A 78 -9.451 -4.030 1.176 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.892 -3.362 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.380 -1.722 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.155 -1.330 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.730 -0.102 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.835 -1.815 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.407 1.111 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.511 -0.597 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.838 1.057 -2.356 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.759 -4.180 -0.331 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.542 -4.838 0.137 1.00 0.00 C ATOM 1179 C ALA A 79 -3.295 -4.115 -0.375 1.00 0.00 C ATOM 1180 O ALA A 79 -3.376 -3.338 -1.321 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.528 -6.283 -0.339 1.00 0.00 C ATOM 0 H ALA A 79 -5.744 -3.936 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.532 -4.808 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.619 -6.773 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.398 -6.806 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.557 -6.308 -1.428 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.150 -4.351 0.260 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.883 -3.818 -0.235 1.00 0.00 C ATOM 1189 C CYS A 80 0.148 -4.941 -0.396 1.00 0.00 C ATOM 1190 O CYS A 80 0.354 -5.739 0.519 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.373 -2.727 0.705 1.00 0.00 C ATOM 1192 SG CYS A 80 1.299 -2.118 0.327 1.00 0.00 S ATOM 0 H CYS A 80 -2.073 -4.904 1.113 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.044 -3.374 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.067 -1.887 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.383 -3.111 1.725 1.00 0.00 H new ATOM 1197 N ARG A 81 0.757 -5.023 -1.581 1.00 0.00 N ATOM 1198 CA ARG A 81 1.692 -6.103 -1.926 1.00 0.00 C ATOM 1199 C ARG A 81 3.132 -5.593 -1.895 1.00 0.00 C ATOM 1200 O ARG A 81 3.421 -4.563 -2.491 1.00 0.00 O ATOM 1201 CB ARG A 81 1.371 -6.596 -3.341 1.00 0.00 C ATOM 1202 CG ARG A 81 1.883 -7.995 -3.685 1.00 0.00 C ATOM 1203 CD ARG A 81 1.263 -8.509 -4.994 1.00 0.00 C ATOM 1204 NE ARG A 81 1.694 -7.701 -6.139 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.510 -8.049 -7.411 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.782 -9.117 -7.712 1.00 0.00 N ATOM 1207 NH2 ARG A 81 2.037 -7.314 -8.386 1.00 0.00 N ATOM 0 H ARG A 81 0.618 -4.344 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 81 1.587 -6.912 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.289 -6.581 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.790 -5.889 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.969 -7.975 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.645 -8.682 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.549 -9.549 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.176 -8.486 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 81 2.165 -6.816 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.362 -9.674 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.643 -9.381 -8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.583 -6.483 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.895 -7.582 -9.360 1.00 0.00 H new ATOM 1221 N VAL A 82 4.037 -6.296 -1.212 1.00 0.00 N ATOM 1222 CA VAL A 82 5.442 -5.877 -1.207 1.00 0.00 C ATOM 1223 C VAL A 82 6.390 -7.046 -1.459 1.00 0.00 C ATOM 1224 O VAL A 82 6.208 -8.148 -0.935 1.00 0.00 O ATOM 1225 CB VAL A 82 5.846 -5.139 0.104 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.197 -6.112 1.218 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.005 -4.187 -0.157 1.00 0.00 C ATOM 0 H VAL A 82 3.833 -7.135 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 82 5.537 -5.170 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 82 4.982 -4.563 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.473 -5.555 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.335 -6.744 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.035 -6.735 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.275 -3.680 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.863 -4.750 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.709 -3.449 -0.902 1.00 0.00 H new ATOM 1237 N ASN A 83 7.379 -6.786 -2.303 1.00 0.00 N ATOM 1238 CA ASN A 83 8.422 -7.762 -2.612 1.00 0.00 C ATOM 1239 C ASN A 83 9.798 -7.137 -2.483 1.00 0.00 C ATOM 1240 O ASN A 83 9.995 -5.961 -2.801 1.00 0.00 O ATOM 1241 CB ASN A 83 8.239 -8.329 -4.026 1.00 0.00 C ATOM 1242 CG ASN A 83 9.201 -9.467 -4.327 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.573 -10.230 -3.435 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.613 -9.588 -5.582 1.00 0.00 N ATOM 0 H ASN A 83 7.483 -5.897 -2.792 1.00 0.00 H new ATOM 0 HA ASN A 83 8.337 -8.578 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.215 -8.683 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.385 -7.532 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.261 -10.333 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.282 -8.936 -6.293 1.00 0.00 H new ATOM 1251 N HIS A 84 10.733 -7.932 -1.994 1.00 0.00 N ATOM 1252 CA HIS A 84 12.119 -7.524 -1.873 1.00 0.00 C ATOM 1253 C HIS A 84 13.017 -8.657 -2.364 1.00 0.00 C ATOM 1254 O HIS A 84 12.565 -9.796 -2.457 1.00 0.00 O ATOM 1255 CB HIS A 84 12.444 -7.176 -0.413 1.00 0.00 C ATOM 1256 CG HIS A 84 13.824 -6.620 -0.196 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.899 -7.442 0.038 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.245 -5.334 -0.179 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.940 -6.647 0.191 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.593 -5.360 0.069 1.00 0.00 N ATOM 0 H HIS A 84 10.551 -8.881 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 84 12.293 -6.636 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.714 -6.451 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.328 -8.073 0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.636 -4.455 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.944 -6.991 0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.213 -4.553 0.146 1.00 0.00 H new ATOM 1268 N VAL A 85 14.265 -8.344 -2.689 1.00 0.00 N ATOM 1269 CA VAL A 85 15.236 -9.353 -3.137 1.00 0.00 C ATOM 1270 C VAL A 85 15.309 -10.549 -2.176 1.00 0.00 C ATOM 1271 O VAL A 85 15.550 -11.686 -2.596 1.00 0.00 O ATOM 1272 CB VAL A 85 16.650 -8.743 -3.291 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.634 -9.762 -3.852 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.606 -7.505 -4.170 1.00 0.00 C ATOM 0 H VAL A 85 14.637 -7.395 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 85 14.885 -9.705 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 85 16.997 -8.453 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.618 -9.303 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.697 -10.616 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.292 -10.097 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.610 -7.091 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.228 -7.773 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.949 -6.762 -3.719 1.00 0.00 H new ATOM 1284 N THR A 86 15.090 -10.297 -0.892 1.00 0.00 N ATOM 1285 CA THR A 86 15.174 -11.366 0.108 1.00 0.00 C ATOM 1286 C THR A 86 14.029 -12.365 -0.069 1.00 0.00 C ATOM 1287 O THR A 86 14.269 -13.570 -0.162 1.00 0.00 O ATOM 1288 CB THR A 86 15.218 -10.840 1.570 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.129 -11.935 2.494 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.093 -9.853 1.854 1.00 0.00 C ATOM 0 H THR A 86 14.856 -9.378 -0.517 1.00 0.00 H new ATOM 0 HA THR A 86 16.123 -11.872 -0.066 1.00 0.00 H new ATOM 0 HB THR A 86 16.168 -10.321 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.159 -11.592 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.161 -9.511 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.180 -8.999 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.132 -10.342 1.697 1.00 0.00 H new ATOM 1298 N LEU A 87 12.792 -11.875 -0.134 1.00 0.00 N ATOM 1299 CA LEU A 87 11.650 -12.756 -0.371 1.00 0.00 C ATOM 1300 C LEU A 87 11.698 -13.324 -1.790 1.00 0.00 C ATOM 1301 O LEU A 87 12.271 -12.721 -2.699 1.00 0.00 O ATOM 1302 CB LEU A 87 10.317 -12.017 -0.197 1.00 0.00 C ATOM 1303 CG LEU A 87 10.198 -11.115 1.030 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.910 -10.322 0.969 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.262 -11.931 2.313 1.00 0.00 C ATOM 0 H LEU A 87 12.557 -10.888 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 87 11.713 -13.559 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.144 -11.410 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.518 -12.757 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 87 11.039 -10.421 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.835 -9.682 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.904 -9.706 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.062 -11.007 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.175 -11.266 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.444 -12.651 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.213 -12.462 2.360 1.00 0.00 H new ATOM 1317 N SER A 88 11.106 -14.490 -1.969 1.00 0.00 N ATOM 1318 CA SER A 88 10.924 -15.059 -3.296 1.00 0.00 C ATOM 1319 C SER A 88 9.445 -14.968 -3.664 1.00 0.00 C ATOM 1320 O SER A 88 9.038 -15.302 -4.776 1.00 0.00 O ATOM 1321 CB SER A 88 11.406 -16.512 -3.322 1.00 0.00 C ATOM 1322 OG SER A 88 11.387 -17.041 -4.637 1.00 0.00 O ATOM 0 H SER A 88 10.741 -15.066 -1.210 1.00 0.00 H new ATOM 0 HA SER A 88 11.514 -14.503 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.418 -16.568 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.772 -17.119 -2.675 1.00 0.00 H new ATOM 0 HG SER A 88 10.698 -16.584 -5.163 1.00 0.00 H new ATOM 1328 N GLN A 89 8.657 -14.509 -2.701 1.00 0.00 N ATOM 1329 CA GLN A 89 7.227 -14.331 -2.886 1.00 0.00 C ATOM 1330 C GLN A 89 6.746 -13.093 -2.112 1.00 0.00 C ATOM 1331 O GLN A 89 6.951 -13.010 -0.900 1.00 0.00 O ATOM 1332 CB GLN A 89 6.456 -15.586 -2.427 1.00 0.00 C ATOM 1333 CG GLN A 89 6.747 -16.028 -0.993 1.00 0.00 C ATOM 1334 CD GLN A 89 5.869 -17.180 -0.559 1.00 0.00 C ATOM 1335 OE1 GLN A 89 4.792 -16.975 0.001 1.00 0.00 O ATOM 1336 NE2 GLN A 89 6.311 -18.397 -0.832 1.00 0.00 N ATOM 0 H GLN A 89 8.992 -14.251 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 89 7.031 -14.182 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.387 -15.394 -2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.694 -16.409 -3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.794 -16.321 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.597 -15.185 -0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.210 -18.521 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.753 -19.212 -0.577 1.00 0.00 H new ATOM 1345 N PRO A 90 6.141 -12.093 -2.793 1.00 0.00 N ATOM 1346 CA PRO A 90 5.604 -10.907 -2.107 1.00 0.00 C ATOM 1347 C PRO A 90 4.416 -11.233 -1.217 1.00 0.00 C ATOM 1348 O PRO A 90 3.745 -12.251 -1.398 1.00 0.00 O ATOM 1349 CB PRO A 90 5.165 -9.972 -3.230 1.00 0.00 C ATOM 1350 CG PRO A 90 5.025 -10.833 -4.444 1.00 0.00 C ATOM 1351 CD PRO A 90 5.972 -12.013 -4.261 1.00 0.00 C ATOM 0 HA PRO A 90 6.356 -10.472 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.222 -9.483 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.900 -9.183 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.997 -11.177 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.275 -10.273 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.551 -12.933 -4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.923 -11.847 -4.766 1.00 0.00 H new ATOM 1359 N LYS A 91 4.149 -10.355 -0.265 1.00 0.00 N ATOM 1360 CA LYS A 91 3.064 -10.568 0.681 1.00 0.00 C ATOM 1361 C LYS A 91 1.916 -9.595 0.417 1.00 0.00 C ATOM 1362 O LYS A 91 2.123 -8.505 -0.114 1.00 0.00 O ATOM 1363 CB LYS A 91 3.553 -10.391 2.125 1.00 0.00 C ATOM 1364 CG LYS A 91 4.778 -11.225 2.497 1.00 0.00 C ATOM 1365 CD LYS A 91 4.595 -12.717 2.222 1.00 0.00 C ATOM 1366 CE LYS A 91 5.079 -13.559 3.400 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.976 -15.018 3.129 1.00 0.00 N ATOM 0 H LYS A 91 4.668 -9.488 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 91 2.708 -11.590 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.785 -9.339 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.738 -10.646 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.640 -10.862 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.000 -11.081 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.543 -12.928 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.146 -12.994 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.115 -13.305 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.492 -13.313 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.315 -15.550 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.984 -15.267 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.557 -15.259 2.300 1.00 0.00 H new ATOM 1381 N ILE A 92 0.715 -10.013 0.791 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.455 -9.144 0.722 1.00 0.00 C ATOM 1383 C ILE A 92 -0.965 -8.824 2.122 1.00 0.00 C ATOM 1384 O ILE A 92 -1.100 -9.708 2.971 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.604 -9.724 -0.171 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.612 -9.053 -1.553 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.968 -9.567 0.481 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.325 -7.576 -1.498 1.00 0.00 C ATOM 0 H ILE A 92 0.523 -10.950 1.146 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.130 -8.222 0.239 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.406 -10.790 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.871 -9.537 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.584 -9.210 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.734 -9.983 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.979 -10.096 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.171 -8.510 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.346 -7.164 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.081 -7.081 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.341 -7.413 -1.059 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.217 -7.549 2.361 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.791 -7.094 3.616 1.00 0.00 C ATOM 1402 C VAL A 93 -3.132 -6.432 3.333 1.00 0.00 C ATOM 1403 O VAL A 93 -3.201 -5.473 2.571 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.858 -6.096 4.341 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.511 -4.908 3.462 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.479 -5.626 5.648 1.00 0.00 C ATOM 0 H VAL A 93 -1.030 -6.801 1.693 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.923 -7.957 4.269 1.00 0.00 H new ATOM 0 HB VAL A 93 0.069 -6.624 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.146 -4.231 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.005 -5.257 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.424 -4.382 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.805 -4.925 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.429 -5.132 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.649 -6.483 6.299 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.199 -6.943 3.919 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.522 -6.437 3.608 1.00 0.00 C ATOM 1418 C LYS A 94 -6.081 -5.655 4.790 1.00 0.00 C ATOM 1419 O LYS A 94 -5.804 -5.975 5.951 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.452 -7.588 3.240 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.844 -8.540 2.232 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.474 -9.918 2.328 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.141 -10.609 3.644 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.664 -12.001 3.694 1.00 0.00 N ATOM 0 H LYS A 94 -4.177 -7.698 4.604 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.448 -5.764 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.712 -8.141 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.380 -7.183 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.981 -8.144 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.770 -8.616 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.556 -9.829 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.127 -10.533 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.060 -10.623 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.560 -10.035 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.415 -12.433 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.699 -11.987 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.245 -12.557 2.922 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.863 -4.636 4.489 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.373 -3.727 5.512 1.00 0.00 C ATOM 1440 C TRP A 95 -8.675 -4.277 6.121 1.00 0.00 C ATOM 1441 O TRP A 95 -9.559 -4.761 5.416 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.550 -2.317 4.899 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.975 -1.230 5.860 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.418 -0.909 7.077 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.032 -0.278 5.652 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.092 0.135 7.647 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.082 0.545 6.800 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.949 -0.043 4.612 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.010 1.564 6.949 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.868 0.981 4.758 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.898 1.772 5.918 1.00 0.00 C ATOM 0 H TRP A 95 -7.163 -4.412 3.540 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.659 -3.647 6.331 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.607 -2.021 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.289 -2.379 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.569 -1.410 7.519 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.888 0.543 8.559 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.936 -0.649 3.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.035 2.172 7.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.575 1.176 3.965 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.632 2.559 6.003 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.763 -4.231 7.448 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.882 -4.819 8.182 1.00 0.00 C ATOM 1464 C ASP A 96 -11.140 -3.956 8.060 1.00 0.00 C ATOM 1465 O ASP A 96 -11.273 -2.938 8.741 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.499 -5.018 9.663 1.00 0.00 C ATOM 1467 CG ASP A 96 -9.047 -3.736 10.347 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.008 -3.177 9.940 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -9.710 -3.295 11.309 1.00 0.00 O ATOM 0 H ASP A 96 -8.064 -3.787 8.043 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.105 -5.791 7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.355 -5.426 10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.700 -5.757 9.728 1.00 0.00 H new ATOM 1474 N ARG A 97 -12.061 -4.394 7.191 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.340 -3.716 6.953 1.00 0.00 C ATOM 1476 C ARG A 97 -13.971 -4.250 5.675 1.00 0.00 C ATOM 1477 O ARG A 97 -15.186 -4.168 5.483 1.00 0.00 O ATOM 1478 CB ARG A 97 -13.151 -2.187 6.862 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.560 -1.674 5.548 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.633 -1.412 4.469 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.884 -0.914 5.037 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.088 -1.245 4.578 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.206 -2.055 3.532 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.170 -0.758 5.166 1.00 0.00 N ATOM 0 H ARG A 97 -11.937 -5.236 6.629 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.002 -3.919 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.118 -1.709 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.504 -1.869 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.010 -0.752 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.842 -2.401 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.251 -0.689 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.827 -2.335 3.922 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.831 -0.276 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.372 -2.426 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.131 -2.306 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.078 -0.133 5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.096 -1.008 4.818 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.138 -4.825 4.823 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.551 -5.203 3.479 1.00 0.00 C ATOM 1500 C ASP A 98 -13.131 -6.623 3.135 1.00 0.00 C ATOM 1501 O ASP A 98 -13.706 -7.253 2.247 1.00 0.00 O ATOM 1502 CB ASP A 98 -12.952 -4.247 2.461 1.00 0.00 C ATOM 1503 CG ASP A 98 -11.501 -3.880 2.738 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -10.629 -4.763 2.645 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -11.234 -2.697 3.028 1.00 0.00 O ATOM 0 H ASP A 98 -12.165 -5.042 5.039 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.639 -5.151 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.020 -4.697 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.549 -3.335 2.438 1.00 0.00 H new ATOM 1510 N MET A 99 -12.115 -7.100 3.825 1.00 0.00 N ATOM 1511 CA MET A 99 -11.619 -8.464 3.639 1.00 0.00 C ATOM 1512 C MET A 99 -12.712 -9.514 3.878 1.00 0.00 C ATOM 1513 CB MET A 99 -10.386 -8.752 4.522 1.00 0.00 C ATOM 1514 CG MET A 99 -10.468 -8.239 5.971 1.00 0.00 C ATOM 1515 SD MET A 99 -11.982 -8.709 6.829 1.00 0.00 S ATOM 1516 CE MET A 99 -11.686 -8.002 8.443 1.00 0.00 C ATOM 0 H MET A 99 -11.607 -6.563 4.528 1.00 0.00 H new ATOM 0 HA MET A 99 -11.311 -8.539 2.596 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.223 -9.829 4.546 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.511 -8.308 4.048 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.613 -8.619 6.529 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.388 -7.152 5.966 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.264 -8.546 9.190 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.625 -8.073 8.682 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.988 -6.955 8.442 1.00 0.00 H new TER 1525 MET A 99