USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 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 HD1:sc= -5.57! C(o=-8.8!,f=-16!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -3.25! C(o=-8.8!,f=-23!) USER MOD Set 2.1: A 24 ASN : amide:sc= -4.34! C(o=-4.1!,f=-6.2!) USER MOD Set 2.2: A 63 TYR OH : rot 81:sc= 0.211 USER MOD Set 3.1: A 13 HIS : no HD1:sc= 0.329 K(o=-0.19,f=-3.4) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.522 K(o=-0.19,f=-2.2!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Set 4.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 123:sc= 0.144 USER MOD Single : A 17 ASN : amide:sc= -0.132 X(o=-0.13,f=0.22) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= -0.0322 (180deg=-0.0747) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00984 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.208 USER MOD Single : A 33 SER OG : rot 143:sc= 0.265 USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.41 (180deg=-1.22) USER MOD Single : A 42 ASN : amide:sc= -6.25! C(o=-6.2!,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.168 K(o=0.17,f=-0.71) USER MOD Single : A 52 SER OG : rot 39:sc= 0.122 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 57 SER OG : rot 65:sc= 1.27 USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.227 (180deg=-0.944) USER MOD Single : A 61 SER OG : rot -165:sc= -0.268! 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= -0.246 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -129:sc= 2.18 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 31:sc= 0.0768 USER MOD Single : A 83 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -27:sc= 0.12 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 146:sc= -0.278 (180deg=-1.27!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 177:sc= 0 (180deg=-0.0148) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 7.041 -7.006 6.598 1.00 0.00 N ATOM 2 CA MET A 6 5.670 -6.857 7.067 1.00 0.00 C ATOM 3 C MET A 6 5.170 -5.441 6.809 1.00 0.00 C ATOM 4 O MET A 6 5.817 -4.464 7.188 1.00 0.00 O ATOM 5 CB MET A 6 5.580 -7.193 8.559 1.00 0.00 C ATOM 6 CG MET A 6 4.161 -7.190 9.103 1.00 0.00 C ATOM 7 SD MET A 6 4.085 -7.674 10.840 1.00 0.00 S ATOM 8 CE MET A 6 2.317 -7.614 11.131 1.00 0.00 C ATOM 0 HA MET A 6 5.036 -7.552 6.515 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.022 -8.175 8.728 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.176 -6.474 9.121 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.733 -6.194 8.988 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.548 -7.871 8.512 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.109 -7.889 12.165 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.951 -6.604 10.943 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.814 -8.312 10.462 1.00 0.00 H new ATOM 17 N ILE A 7 4.025 -5.344 6.153 1.00 0.00 N ATOM 18 CA ILE A 7 3.426 -4.057 5.829 1.00 0.00 C ATOM 19 C ILE A 7 2.226 -3.814 6.736 1.00 0.00 C ATOM 20 O ILE A 7 1.626 -4.766 7.238 1.00 0.00 O ATOM 21 CB ILE A 7 2.930 -4.019 4.355 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.870 -4.801 3.426 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.780 -2.586 3.857 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.205 -5.239 2.133 1.00 0.00 C ATOM 0 H ILE A 7 3.487 -6.149 5.831 1.00 0.00 H new ATOM 0 HA ILE A 7 4.187 -3.290 5.971 1.00 0.00 H new ATOM 0 HB ILE A 7 1.951 -4.497 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.735 -4.182 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.241 -5.680 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.432 -2.594 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.057 -2.058 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.744 -2.079 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.923 -5.786 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.356 -5.884 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.858 -4.362 1.587 1.00 0.00 H new ATOM 36 N GLN A 8 1.888 -2.553 6.964 1.00 0.00 N ATOM 37 CA GLN A 8 0.699 -2.216 7.721 1.00 0.00 C ATOM 38 C GLN A 8 -0.106 -1.157 6.972 1.00 0.00 C ATOM 39 O GLN A 8 0.348 -0.024 6.802 1.00 0.00 O ATOM 40 CB GLN A 8 1.086 -1.704 9.110 1.00 0.00 C ATOM 41 CG GLN A 8 1.830 -2.723 9.969 1.00 0.00 C ATOM 42 CD GLN A 8 2.291 -2.131 11.288 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.661 -1.221 11.832 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.393 -2.640 11.811 1.00 0.00 N ATOM 0 H GLN A 8 2.422 -1.749 6.634 1.00 0.00 H new ATOM 0 HA GLN A 8 0.086 -3.109 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.709 -0.817 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.183 -1.394 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.180 -3.576 10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.693 -3.098 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.885 -3.393 11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.751 -2.280 12.696 1.00 0.00 H new ATOM 53 N VAL A 9 -1.282 -1.538 6.487 1.00 0.00 N ATOM 54 CA VAL A 9 -2.153 -0.599 5.792 1.00 0.00 C ATOM 55 C VAL A 9 -3.144 0.046 6.749 1.00 0.00 C ATOM 56 O VAL A 9 -3.586 -0.571 7.715 1.00 0.00 O ATOM 57 CB VAL A 9 -2.932 -1.266 4.632 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.032 -1.464 3.427 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.522 -2.591 5.078 1.00 0.00 C ATOM 0 H VAL A 9 -1.653 -2.485 6.562 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.499 0.166 5.373 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.749 -0.604 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.598 -1.934 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.657 -0.497 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.193 -2.103 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.066 -3.045 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.720 -3.258 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.205 -2.423 5.911 1.00 0.00 H new ATOM 69 N TYR A 10 -3.488 1.287 6.444 1.00 0.00 N ATOM 70 CA TYR A 10 -4.393 2.095 7.255 1.00 0.00 C ATOM 71 C TYR A 10 -5.065 3.123 6.360 1.00 0.00 C ATOM 72 O TYR A 10 -4.804 3.171 5.156 1.00 0.00 O ATOM 73 CB TYR A 10 -3.643 2.846 8.365 1.00 0.00 C ATOM 74 CG TYR A 10 -3.140 1.986 9.518 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.827 2.103 9.965 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.970 1.067 10.161 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.354 1.330 11.011 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.499 0.290 11.211 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.191 0.428 11.628 1.00 0.00 C ATOM 80 OH TYR A 10 -1.716 -0.338 12.669 1.00 0.00 O ATOM 0 H TYR A 10 -3.143 1.771 5.615 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.121 1.427 7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.791 3.360 7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.303 3.614 8.769 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.165 2.810 9.487 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.995 0.958 9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.331 1.434 11.342 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.153 -0.418 11.698 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.430 -0.923 12.997 1.00 0.00 H new ATOM 90 N SER A 11 -5.922 3.943 6.939 1.00 0.00 N ATOM 91 CA SER A 11 -6.512 5.058 6.217 1.00 0.00 C ATOM 92 C SER A 11 -6.447 6.326 7.060 1.00 0.00 C ATOM 93 O SER A 11 -6.319 6.262 8.283 1.00 0.00 O ATOM 94 CB SER A 11 -7.965 4.749 5.876 1.00 0.00 C ATOM 95 OG SER A 11 -8.065 3.561 5.108 1.00 0.00 O ATOM 0 H SER A 11 -6.226 3.859 7.909 1.00 0.00 H new ATOM 0 HA SER A 11 -5.949 5.212 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.543 4.643 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.397 5.582 5.322 1.00 0.00 H new ATOM 0 HG SER A 11 -8.657 2.926 5.563 1.00 0.00 H new ATOM 101 N ARG A 12 -6.524 7.477 6.398 1.00 0.00 N ATOM 102 CA ARG A 12 -6.460 8.762 7.092 1.00 0.00 C ATOM 103 C ARG A 12 -7.843 9.189 7.577 1.00 0.00 C ATOM 104 O ARG A 12 -7.976 10.118 8.373 1.00 0.00 O ATOM 105 CB ARG A 12 -5.867 9.832 6.169 1.00 0.00 C ATOM 106 CG ARG A 12 -4.879 10.760 6.868 1.00 0.00 C ATOM 107 CD ARG A 12 -5.578 11.840 7.681 1.00 0.00 C ATOM 108 NE ARG A 12 -6.063 12.931 6.838 1.00 0.00 N ATOM 109 CZ ARG A 12 -6.941 13.850 7.229 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.536 13.746 8.412 1.00 0.00 N ATOM 111 NH2 ARG A 12 -7.237 14.866 6.428 1.00 0.00 N ATOM 0 H ARG A 12 -6.630 7.548 5.386 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.814 8.649 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.365 9.343 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.677 10.428 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.235 10.174 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.235 11.228 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.415 11.401 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.888 12.236 8.426 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.704 12.992 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.320 12.959 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.209 14.453 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.791 14.941 5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.910 15.572 6.727 1.00 0.00 H new ATOM 125 N HIS A 13 -8.868 8.498 7.108 1.00 0.00 N ATOM 126 CA HIS A 13 -10.242 8.837 7.443 1.00 0.00 C ATOM 127 C HIS A 13 -11.000 7.593 7.885 1.00 0.00 C ATOM 128 O HIS A 13 -10.538 6.470 7.666 1.00 0.00 O ATOM 129 CB HIS A 13 -10.944 9.457 6.230 1.00 0.00 C ATOM 130 CG HIS A 13 -10.353 10.753 5.772 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.747 10.864 4.545 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.321 11.955 6.395 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.362 12.125 4.448 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.689 12.823 5.545 1.00 0.00 N ATOM 0 H HIS A 13 -8.774 7.693 6.489 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.229 9.558 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.914 8.746 5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.994 9.617 6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.717 12.185 7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.849 12.540 3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.503 13.811 5.714 1.00 0.00 H new ATOM 142 N PRO A 14 -12.163 7.776 8.528 1.00 0.00 N ATOM 143 CA PRO A 14 -13.058 6.671 8.884 1.00 0.00 C ATOM 144 C PRO A 14 -13.732 6.084 7.645 1.00 0.00 C ATOM 145 O PRO A 14 -14.152 6.823 6.751 1.00 0.00 O ATOM 146 CB PRO A 14 -14.105 7.320 9.802 1.00 0.00 C ATOM 147 CG PRO A 14 -13.553 8.671 10.142 1.00 0.00 C ATOM 148 CD PRO A 14 -12.705 9.069 8.972 1.00 0.00 C ATOM 0 HA PRO A 14 -12.525 5.847 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.069 7.404 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.264 6.723 10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.354 9.391 10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.964 8.634 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.290 9.555 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.916 9.765 9.259 1.00 0.00 H new ATOM 156 N ALA A 15 -13.813 4.758 7.588 1.00 0.00 N ATOM 157 CA ALA A 15 -14.401 4.058 6.446 1.00 0.00 C ATOM 158 C ALA A 15 -15.889 4.365 6.289 1.00 0.00 C ATOM 159 O ALA A 15 -16.713 3.833 7.038 1.00 0.00 O ATOM 160 CB ALA A 15 -14.210 2.552 6.603 1.00 0.00 C ATOM 0 H ALA A 15 -13.476 4.140 8.326 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.888 4.410 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.651 2.038 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.145 2.324 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.697 2.217 7.519 1.00 0.00 H new ATOM 166 N GLU A 16 -16.242 5.218 5.329 1.00 0.00 N ATOM 167 CA GLU A 16 -17.652 5.483 5.042 1.00 0.00 C ATOM 168 C GLU A 16 -17.989 4.987 3.629 1.00 0.00 C ATOM 169 O GLU A 16 -17.592 5.615 2.646 1.00 0.00 O ATOM 170 CB GLU A 16 -17.966 6.992 5.173 1.00 0.00 C ATOM 171 CG GLU A 16 -18.904 7.376 6.315 1.00 0.00 C ATOM 172 CD GLU A 16 -18.491 6.814 7.660 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.232 5.967 8.203 1.00 0.00 O ATOM 174 OE2 GLU A 16 -17.444 7.228 8.195 1.00 0.00 O ATOM 0 H GLU A 16 -15.583 5.731 4.744 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.266 4.949 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.027 7.530 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.404 7.336 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.951 8.463 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.910 7.028 6.079 1.00 0.00 H new ATOM 181 N ASN A 17 -18.665 3.832 3.537 1.00 0.00 N ATOM 182 CA ASN A 17 -19.132 3.283 2.258 1.00 0.00 C ATOM 183 C ASN A 17 -19.772 4.359 1.366 1.00 0.00 C ATOM 184 O ASN A 17 -20.875 4.834 1.633 1.00 0.00 O ATOM 185 CB ASN A 17 -20.118 2.118 2.530 1.00 0.00 C ATOM 186 CG ASN A 17 -20.883 1.653 1.298 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.407 1.756 0.170 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.077 1.123 1.512 1.00 0.00 N ATOM 0 H ASN A 17 -18.902 3.255 4.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.269 2.904 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.563 1.274 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.832 2.430 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.633 0.784 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.441 1.053 2.462 1.00 0.00 H new ATOM 195 N GLY A 18 -19.047 4.732 0.311 1.00 0.00 N ATOM 196 CA GLY A 18 -19.529 5.727 -0.641 1.00 0.00 C ATOM 197 C GLY A 18 -18.675 6.984 -0.699 1.00 0.00 C ATOM 198 O GLY A 18 -18.948 7.879 -1.497 1.00 0.00 O ATOM 0 H GLY A 18 -18.123 4.358 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.567 5.278 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.550 6.004 -0.377 1.00 0.00 H new ATOM 202 N LYS A 19 -17.663 7.081 0.153 1.00 0.00 N ATOM 203 CA LYS A 19 -16.757 8.236 0.118 1.00 0.00 C ATOM 204 C LYS A 19 -15.480 7.902 -0.626 1.00 0.00 C ATOM 205 O LYS A 19 -15.082 6.742 -0.705 1.00 0.00 O ATOM 206 CB LYS A 19 -16.343 8.668 1.525 1.00 0.00 C ATOM 207 CG LYS A 19 -17.468 8.864 2.526 1.00 0.00 C ATOM 208 CD LYS A 19 -18.145 10.226 2.445 1.00 0.00 C ATOM 209 CE LYS A 19 -18.855 10.472 1.128 1.00 0.00 C ATOM 210 NZ LYS A 19 -20.064 9.624 0.970 1.00 0.00 N ATOM 0 H LYS A 19 -17.445 6.388 0.869 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.305 9.035 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.656 7.922 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.788 9.603 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.218 8.088 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.072 8.727 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.865 10.314 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.397 11.004 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.140 11.522 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.167 10.276 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.466 9.766 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.805 8.624 1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.769 9.887 1.688 1.00 0.00 H new ATOM 224 N SER A 20 -14.847 8.921 -1.180 1.00 0.00 N ATOM 225 CA SER A 20 -13.490 8.782 -1.658 1.00 0.00 C ATOM 226 C SER A 20 -12.509 9.373 -0.650 1.00 0.00 C ATOM 227 O SER A 20 -12.753 10.435 -0.068 1.00 0.00 O ATOM 228 CB SER A 20 -13.328 9.409 -3.041 1.00 0.00 C ATOM 229 OG SER A 20 -14.191 10.520 -3.200 1.00 0.00 O ATOM 0 H SER A 20 -15.252 9.848 -1.308 1.00 0.00 H new ATOM 0 HA SER A 20 -13.265 7.720 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.294 9.724 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.542 8.665 -3.808 1.00 0.00 H new ATOM 0 HG SER A 20 -14.067 10.905 -4.093 1.00 0.00 H new ATOM 235 N ASN A 21 -11.404 8.671 -0.462 1.00 0.00 N ATOM 236 CA ASN A 21 -10.386 9.010 0.531 1.00 0.00 C ATOM 237 C ASN A 21 -9.074 8.435 0.008 1.00 0.00 C ATOM 238 O ASN A 21 -8.976 8.131 -1.184 1.00 0.00 O ATOM 239 CB ASN A 21 -10.697 8.397 1.909 1.00 0.00 C ATOM 240 CG ASN A 21 -12.118 8.625 2.413 1.00 0.00 C ATOM 241 OD1 ASN A 21 -13.060 7.961 1.982 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.274 9.507 3.383 1.00 0.00 N ATOM 0 H ASN A 21 -11.181 7.835 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.345 10.091 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.513 7.324 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.999 8.808 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.195 9.653 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.474 10.042 3.719 1.00 0.00 H new ATOM 249 N PHE A 22 -8.085 8.239 0.873 1.00 0.00 N ATOM 250 CA PHE A 22 -6.784 7.737 0.427 1.00 0.00 C ATOM 251 C PHE A 22 -6.374 6.482 1.193 1.00 0.00 C ATOM 252 O PHE A 22 -6.486 6.433 2.420 1.00 0.00 O ATOM 253 CB PHE A 22 -5.707 8.815 0.599 1.00 0.00 C ATOM 254 CG PHE A 22 -5.837 9.957 -0.370 1.00 0.00 C ATOM 255 CD1 PHE A 22 -6.125 9.713 -1.702 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.665 11.270 0.045 1.00 0.00 C ATOM 257 CE1 PHE A 22 -6.242 10.753 -2.604 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.780 12.314 -0.854 1.00 0.00 C ATOM 259 CZ PHE A 22 -6.071 12.055 -2.179 1.00 0.00 C ATOM 0 H PHE A 22 -8.154 8.416 1.875 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.879 7.480 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.755 9.205 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.725 8.358 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.260 8.696 -2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.439 11.478 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.467 10.547 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.642 13.332 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.165 12.870 -2.881 1.00 0.00 H new ATOM 269 N LEU A 23 -5.895 5.472 0.466 1.00 0.00 N ATOM 270 CA LEU A 23 -5.398 4.242 1.095 1.00 0.00 C ATOM 271 C LEU A 23 -3.913 4.390 1.410 1.00 0.00 C ATOM 272 O LEU A 23 -3.112 4.718 0.535 1.00 0.00 O ATOM 273 CB LEU A 23 -5.649 3.014 0.195 1.00 0.00 C ATOM 274 CG LEU A 23 -4.931 1.696 0.591 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.239 1.278 2.024 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.331 0.576 -0.359 1.00 0.00 C ATOM 0 H LEU A 23 -5.840 5.478 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.944 4.081 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.722 2.823 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.350 3.271 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.859 1.882 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.714 0.351 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.912 2.060 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.312 1.124 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.822 -0.344 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.409 0.424 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.049 0.844 -1.377 1.00 0.00 H new ATOM 288 N ASN A 24 -3.561 4.157 2.665 1.00 0.00 N ATOM 289 CA ASN A 24 -2.176 4.321 3.122 1.00 0.00 C ATOM 290 C ASN A 24 -1.527 2.966 3.363 1.00 0.00 C ATOM 291 O ASN A 24 -1.987 2.179 4.192 1.00 0.00 O ATOM 292 CB ASN A 24 -2.093 5.217 4.392 1.00 0.00 C ATOM 293 CG ASN A 24 -0.936 4.865 5.326 1.00 0.00 C ATOM 294 OD1 ASN A 24 0.173 5.375 5.184 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.197 4.009 6.304 1.00 0.00 N ATOM 0 H ASN A 24 -4.210 3.853 3.391 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.623 4.829 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.994 6.258 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.030 5.135 4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.466 3.755 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.129 3.604 6.392 1.00 0.00 H new ATOM 302 N CYS A 25 -0.476 2.683 2.604 1.00 0.00 N ATOM 303 CA CYS A 25 0.324 1.485 2.801 1.00 0.00 C ATOM 304 C CYS A 25 1.701 1.897 3.316 1.00 0.00 C ATOM 305 O CYS A 25 2.477 2.521 2.593 1.00 0.00 O ATOM 306 CB CYS A 25 0.463 0.715 1.478 1.00 0.00 C ATOM 307 SG CYS A 25 1.785 -0.535 1.484 1.00 0.00 S ATOM 0 H CYS A 25 -0.157 3.276 1.838 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.163 0.833 3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.485 0.226 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.653 1.426 0.674 1.00 0.00 H new ATOM 312 N TYR A 26 1.988 1.571 4.567 1.00 0.00 N ATOM 313 CA TYR A 26 3.229 2.021 5.203 1.00 0.00 C ATOM 314 C TYR A 26 4.281 0.914 5.174 1.00 0.00 C ATOM 315 O TYR A 26 4.191 -0.078 5.904 1.00 0.00 O ATOM 316 CB TYR A 26 2.931 2.552 6.637 1.00 0.00 C ATOM 317 CG TYR A 26 4.053 2.484 7.658 1.00 0.00 C ATOM 318 CD1 TYR A 26 4.098 1.466 8.606 1.00 0.00 C ATOM 319 CD2 TYR A 26 5.031 3.463 7.705 1.00 0.00 C ATOM 320 CE1 TYR A 26 5.090 1.431 9.568 1.00 0.00 C ATOM 321 CE2 TYR A 26 6.029 3.434 8.660 1.00 0.00 C ATOM 322 CZ TYR A 26 6.053 2.416 9.590 1.00 0.00 C ATOM 323 OH TYR A 26 7.044 2.391 10.549 1.00 0.00 O ATOM 0 H TYR A 26 1.387 1.001 5.163 1.00 0.00 H new ATOM 0 HA TYR A 26 3.650 2.854 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.617 3.592 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.082 1.994 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.346 0.691 8.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.013 4.265 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.110 0.636 10.298 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.786 4.204 8.678 1.00 0.00 H new ATOM 0 HH TYR A 26 7.642 3.157 10.422 1.00 0.00 H new ATOM 333 N VAL A 27 5.256 1.078 4.280 1.00 0.00 N ATOM 334 CA VAL A 27 6.344 0.127 4.107 1.00 0.00 C ATOM 335 C VAL A 27 7.570 0.622 4.887 1.00 0.00 C ATOM 336 O VAL A 27 7.931 1.797 4.820 1.00 0.00 O ATOM 337 CB VAL A 27 6.687 -0.034 2.592 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.704 -1.144 2.340 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.419 -0.295 1.792 1.00 0.00 C ATOM 0 H VAL A 27 5.310 1.881 3.653 1.00 0.00 H new ATOM 0 HA VAL A 27 6.042 -0.848 4.490 1.00 0.00 H new ATOM 0 HB VAL A 27 7.141 0.901 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.908 -1.215 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.628 -0.918 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.303 -2.093 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.671 -0.406 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.945 -1.209 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.732 0.542 1.915 1.00 0.00 H new ATOM 349 N SER A 28 8.163 -0.284 5.652 1.00 0.00 N ATOM 350 CA SER A 28 9.342 0.014 6.471 1.00 0.00 C ATOM 351 C SER A 28 10.594 0.157 5.597 1.00 0.00 C ATOM 352 O SER A 28 10.475 0.272 4.378 1.00 0.00 O ATOM 353 CB SER A 28 9.469 -1.053 7.559 1.00 0.00 C ATOM 354 OG SER A 28 10.616 -0.862 8.374 1.00 0.00 O ATOM 0 H SER A 28 7.844 -1.250 5.726 1.00 0.00 H new ATOM 0 HA SER A 28 9.228 0.977 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.576 -1.039 8.184 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.517 -2.038 7.094 1.00 0.00 H new ATOM 0 HG SER A 28 10.654 -1.566 9.055 1.00 0.00 H new ATOM 360 N GLY A 29 11.789 0.138 6.204 1.00 0.00 N ATOM 361 CA GLY A 29 12.953 0.782 5.601 1.00 0.00 C ATOM 362 C GLY A 29 13.604 -0.046 4.518 1.00 0.00 C ATOM 363 O GLY A 29 14.749 -0.483 4.649 1.00 0.00 O ATOM 0 H GLY A 29 11.969 -0.312 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.651 1.742 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.687 0.991 6.379 1.00 0.00 H new ATOM 367 N PHE A 30 12.861 -0.261 3.458 1.00 0.00 N ATOM 368 CA PHE A 30 13.362 -0.891 2.260 1.00 0.00 C ATOM 369 C PHE A 30 13.759 0.220 1.304 1.00 0.00 C ATOM 370 O PHE A 30 13.092 1.250 1.272 1.00 0.00 O ATOM 371 CB PHE A 30 12.262 -1.728 1.616 1.00 0.00 C ATOM 372 CG PHE A 30 11.734 -2.877 2.455 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.091 -4.193 2.170 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.850 -2.645 3.504 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.573 -5.247 2.915 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.342 -3.693 4.256 1.00 0.00 C ATOM 377 CZ PHE A 30 10.700 -4.992 3.955 1.00 0.00 C ATOM 0 H PHE A 30 11.877 0.001 3.403 1.00 0.00 H new ATOM 0 HA PHE A 30 14.207 -1.539 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.429 -1.071 1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.640 -2.132 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.778 -4.397 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.555 -1.632 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.853 -6.263 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.668 -3.494 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.297 -5.810 4.533 1.00 0.00 H new ATOM 387 N HIS A 31 14.806 0.036 0.514 1.00 0.00 N ATOM 388 CA HIS A 31 15.265 1.112 -0.368 1.00 0.00 C ATOM 389 C HIS A 31 14.224 1.433 -1.427 1.00 0.00 C ATOM 390 O HIS A 31 13.894 0.591 -2.255 1.00 0.00 O ATOM 391 CB HIS A 31 16.601 0.785 -1.052 1.00 0.00 C ATOM 392 CG HIS A 31 16.789 -0.654 -1.435 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.033 -1.235 -1.410 1.00 0.00 N ATOM 394 CD2 HIS A 31 15.884 -1.571 -1.843 1.00 0.00 C ATOM 395 CE1 HIS A 31 17.858 -2.481 -1.799 1.00 0.00 C ATOM 396 NE2 HIS A 31 16.573 -2.731 -2.073 1.00 0.00 N ATOM 0 H HIS A 31 15.348 -0.827 0.461 1.00 0.00 H new ATOM 0 HA HIS A 31 15.417 1.982 0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.691 1.398 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.413 1.076 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 31 14.822 -1.418 -1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.651 -3.209 -1.886 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.181 -3.617 -2.392 1.00 0.00 H new ATOM 404 N PRO A 32 13.724 2.677 -1.431 1.00 0.00 N ATOM 405 CA PRO A 32 12.691 3.136 -2.377 1.00 0.00 C ATOM 406 C PRO A 32 13.096 2.932 -3.843 1.00 0.00 C ATOM 407 O PRO A 32 12.290 3.125 -4.758 1.00 0.00 O ATOM 408 CB PRO A 32 12.557 4.632 -2.056 1.00 0.00 C ATOM 409 CG PRO A 32 13.036 4.768 -0.650 1.00 0.00 C ATOM 410 CD PRO A 32 14.122 3.742 -0.495 1.00 0.00 C ATOM 0 HA PRO A 32 11.763 2.576 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.155 5.237 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.524 4.966 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.415 5.772 -0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.227 4.593 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.100 4.152 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.184 3.374 0.529 1.00 0.00 H new ATOM 418 N SER A 33 14.341 2.531 -4.054 1.00 0.00 N ATOM 419 CA SER A 33 14.860 2.298 -5.381 1.00 0.00 C ATOM 420 C SER A 33 14.692 0.829 -5.811 1.00 0.00 C ATOM 421 O SER A 33 14.304 0.571 -6.951 1.00 0.00 O ATOM 422 CB SER A 33 16.329 2.741 -5.448 1.00 0.00 C ATOM 423 OG SER A 33 16.908 2.453 -6.709 1.00 0.00 O ATOM 0 H SER A 33 15.014 2.360 -3.307 1.00 0.00 H new ATOM 0 HA SER A 33 14.282 2.895 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.395 3.811 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.896 2.239 -4.664 1.00 0.00 H new ATOM 0 HG SER A 33 17.526 3.172 -6.957 1.00 0.00 H new ATOM 429 N ASP A 34 14.938 -0.143 -4.916 1.00 0.00 N ATOM 430 CA ASP A 34 14.852 -1.556 -5.334 1.00 0.00 C ATOM 431 C ASP A 34 13.709 -2.303 -4.652 1.00 0.00 C ATOM 432 O ASP A 34 13.885 -3.448 -4.231 1.00 0.00 O ATOM 433 CB ASP A 34 16.153 -2.326 -5.077 1.00 0.00 C ATOM 434 CG ASP A 34 17.332 -1.783 -5.847 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.462 -2.115 -7.045 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.143 -1.040 -5.259 1.00 0.00 O ATOM 0 H ASP A 34 15.188 0.010 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 34 14.663 -1.515 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.380 -2.297 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.006 -3.373 -5.343 1.00 0.00 H new ATOM 441 N ILE A 35 12.540 -1.678 -4.530 1.00 0.00 N ATOM 442 CA ILE A 35 11.387 -2.388 -4.013 1.00 0.00 C ATOM 443 C ILE A 35 10.191 -2.072 -4.876 1.00 0.00 C ATOM 444 O ILE A 35 10.207 -1.111 -5.648 1.00 0.00 O ATOM 445 CB ILE A 35 11.046 -2.058 -2.528 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.012 -0.916 -2.426 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.299 -1.735 -1.729 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.626 -0.556 -1.005 1.00 0.00 C ATOM 0 H ILE A 35 12.373 -0.703 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 35 11.639 -3.448 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 35 10.596 -2.950 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.415 -0.030 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.114 -1.203 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.025 -1.510 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.973 -2.592 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.798 -0.872 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.897 0.254 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.191 -1.427 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.512 -0.236 -0.457 1.00 0.00 H new ATOM 460 N GLU A 36 9.168 -2.880 -4.758 1.00 0.00 N ATOM 461 CA GLU A 36 8.004 -2.720 -5.567 1.00 0.00 C ATOM 462 C GLU A 36 6.761 -2.914 -4.720 1.00 0.00 C ATOM 463 O GLU A 36 6.359 -4.039 -4.422 1.00 0.00 O ATOM 464 CB GLU A 36 8.099 -3.747 -6.663 1.00 0.00 C ATOM 465 CG GLU A 36 7.715 -3.257 -8.056 1.00 0.00 C ATOM 466 CD GLU A 36 7.793 -4.353 -9.091 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.858 -4.511 -9.723 1.00 0.00 O ATOM 468 OE2 GLU A 36 6.787 -5.067 -9.283 1.00 0.00 O ATOM 0 H GLU A 36 9.126 -3.659 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 36 7.940 -1.721 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.122 -4.122 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.459 -4.590 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.702 -2.856 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.375 -2.439 -8.346 1.00 0.00 H new ATOM 475 N VAL A 37 6.200 -1.801 -4.295 1.00 0.00 N ATOM 476 CA VAL A 37 4.987 -1.788 -3.490 1.00 0.00 C ATOM 477 C VAL A 37 3.834 -1.197 -4.304 1.00 0.00 C ATOM 478 O VAL A 37 3.992 -0.156 -4.951 1.00 0.00 O ATOM 479 CB VAL A 37 5.187 -0.989 -2.163 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.364 -0.039 -2.275 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.929 -0.222 -1.769 1.00 0.00 C ATOM 0 H VAL A 37 6.571 -0.873 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 37 4.747 -2.816 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 37 5.395 -1.717 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.482 0.506 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.271 -0.607 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.185 0.668 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.109 0.320 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.671 0.484 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.106 -0.922 -1.626 1.00 0.00 H new ATOM 491 N ASP A 38 2.688 -1.867 -4.283 1.00 0.00 N ATOM 492 CA ASP A 38 1.519 -1.414 -5.030 1.00 0.00 C ATOM 493 C ASP A 38 0.266 -1.526 -4.162 1.00 0.00 C ATOM 494 O ASP A 38 0.263 -2.223 -3.145 1.00 0.00 O ATOM 495 CB ASP A 38 1.327 -2.241 -6.318 1.00 0.00 C ATOM 496 CG ASP A 38 2.393 -1.970 -7.360 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.260 -0.969 -8.095 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.356 -2.761 -7.464 1.00 0.00 O ATOM 0 H ASP A 38 2.542 -2.728 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 38 1.681 -0.372 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.334 -3.302 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.348 -2.020 -6.742 1.00 0.00 H new ATOM 503 N LEU A 39 -0.801 -0.860 -4.583 1.00 0.00 N ATOM 504 CA LEU A 39 -2.066 -0.906 -3.864 1.00 0.00 C ATOM 505 C LEU A 39 -3.060 -1.761 -4.649 1.00 0.00 C ATOM 506 O LEU A 39 -3.280 -1.536 -5.842 1.00 0.00 O ATOM 507 CB LEU A 39 -2.615 0.508 -3.606 1.00 0.00 C ATOM 508 CG LEU A 39 -2.097 1.201 -2.325 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.610 1.487 -2.401 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.848 2.493 -2.062 1.00 0.00 C ATOM 0 H LEU A 39 -0.815 -0.280 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.905 -1.361 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.369 1.136 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.702 0.452 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.273 0.510 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.286 1.974 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.065 0.551 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.408 2.141 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.463 2.959 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.712 3.171 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.909 2.278 -1.937 1.00 0.00 H new ATOM 522 N LEU A 40 -3.628 -2.755 -3.977 1.00 0.00 N ATOM 523 CA LEU A 40 -4.426 -3.788 -4.630 1.00 0.00 C ATOM 524 C LEU A 40 -5.856 -3.863 -4.101 1.00 0.00 C ATOM 525 O LEU A 40 -6.215 -3.231 -3.106 1.00 0.00 O ATOM 526 CB LEU A 40 -3.816 -5.178 -4.415 1.00 0.00 C ATOM 527 CG LEU A 40 -2.358 -5.398 -4.835 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.110 -6.894 -4.994 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.010 -4.672 -6.129 1.00 0.00 C ATOM 0 H LEU A 40 -3.549 -2.869 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.435 -3.508 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.898 -5.418 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.431 -5.899 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.717 -4.984 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.075 -7.062 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.300 -7.397 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.777 -7.294 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.967 -4.860 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.650 -5.035 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.164 -3.601 -5.998 1.00 0.00 H new ATOM 541 N LYS A 41 -6.651 -4.663 -4.805 1.00 0.00 N ATOM 542 CA LYS A 41 -7.965 -5.095 -4.366 1.00 0.00 C ATOM 543 C LYS A 41 -8.020 -6.603 -4.461 1.00 0.00 C ATOM 544 O LYS A 41 -8.136 -7.118 -5.568 1.00 0.00 O ATOM 545 CB LYS A 41 -9.069 -4.567 -5.293 1.00 0.00 C ATOM 546 CG LYS A 41 -8.748 -3.221 -5.913 1.00 0.00 C ATOM 547 CD LYS A 41 -9.814 -2.732 -6.917 1.00 0.00 C ATOM 548 CE LYS A 41 -11.240 -2.698 -6.335 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.303 -1.938 -5.061 1.00 0.00 N ATOM 0 H LYS A 41 -6.389 -5.035 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.122 -4.723 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.242 -5.292 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.998 -4.486 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.642 -2.481 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.785 -3.285 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.547 -1.732 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.803 -3.383 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.917 -2.246 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.587 -3.717 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.279 -1.618 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.001 -2.550 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.673 -1.112 -5.118 1.00 0.00 H new ATOM 563 N ASN A 42 -7.972 -7.314 -3.343 1.00 0.00 N ATOM 564 CA ASN A 42 -8.051 -8.778 -3.378 1.00 0.00 C ATOM 565 C ASN A 42 -7.033 -9.345 -4.376 1.00 0.00 C ATOM 566 O ASN A 42 -7.331 -10.280 -5.125 1.00 0.00 O ATOM 567 CB ASN A 42 -9.479 -9.206 -3.795 1.00 0.00 C ATOM 568 CG ASN A 42 -10.587 -8.390 -3.178 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.190 -8.776 -2.180 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.874 -7.253 -3.816 1.00 0.00 N ATOM 0 H ASN A 42 -7.880 -6.913 -2.410 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.824 -9.168 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.560 -9.142 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.623 -10.252 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.628 -6.655 -3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.339 -6.982 -4.641 1.00 0.00 H new ATOM 577 N GLY A 43 -5.832 -8.774 -4.380 1.00 0.00 N ATOM 578 CA GLY A 43 -4.818 -9.200 -5.332 1.00 0.00 C ATOM 579 C GLY A 43 -4.995 -8.626 -6.739 1.00 0.00 C ATOM 580 O GLY A 43 -4.537 -9.232 -7.708 1.00 0.00 O ATOM 0 H GLY A 43 -5.543 -8.029 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.837 -8.910 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.827 -10.288 -5.392 1.00 0.00 H new ATOM 584 N GLU A 44 -5.640 -7.469 -6.865 1.00 0.00 N ATOM 585 CA GLU A 44 -5.899 -6.873 -8.178 1.00 0.00 C ATOM 586 C GLU A 44 -5.425 -5.412 -8.191 1.00 0.00 C ATOM 587 O GLU A 44 -5.897 -4.591 -7.404 1.00 0.00 O ATOM 588 CB GLU A 44 -7.398 -6.999 -8.519 1.00 0.00 C ATOM 589 CG GLU A 44 -7.797 -6.542 -9.922 1.00 0.00 C ATOM 590 CD GLU A 44 -8.313 -5.118 -9.954 1.00 0.00 C ATOM 591 OE1 GLU A 44 -7.729 -4.285 -10.676 1.00 0.00 O ATOM 592 OE2 GLU A 44 -9.321 -4.834 -9.274 1.00 0.00 O ATOM 0 H GLU A 44 -5.993 -6.925 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.339 -7.406 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.693 -8.041 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.968 -6.420 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.936 -6.626 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.565 -7.210 -10.312 1.00 0.00 H new ATOM 599 N ARG A 45 -4.452 -5.125 -9.054 1.00 0.00 N ATOM 600 CA ARG A 45 -3.813 -3.808 -9.130 1.00 0.00 C ATOM 601 C ARG A 45 -4.828 -2.696 -9.421 1.00 0.00 C ATOM 602 O ARG A 45 -5.425 -2.640 -10.496 1.00 0.00 O ATOM 603 CB ARG A 45 -2.724 -3.836 -10.222 1.00 0.00 C ATOM 604 CG ARG A 45 -1.496 -2.986 -9.917 1.00 0.00 C ATOM 605 CD ARG A 45 -0.389 -3.196 -10.954 1.00 0.00 C ATOM 606 NE ARG A 45 0.253 -4.501 -10.791 1.00 0.00 N ATOM 607 CZ ARG A 45 1.496 -4.660 -10.339 1.00 0.00 C ATOM 608 NH1 ARG A 45 2.240 -3.600 -10.051 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.004 -5.876 -10.186 1.00 0.00 N ATOM 0 H ARG A 45 -4.082 -5.800 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.364 -3.589 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.407 -4.868 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.161 -3.496 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.779 -1.933 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.118 -3.236 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.808 -3.117 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.357 -2.407 -10.857 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.281 -5.335 -11.037 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.860 -2.661 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.192 -3.724 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.442 -6.696 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.956 -5.991 -9.839 1.00 0.00 H new ATOM 623 N ILE A 46 -4.982 -1.795 -8.440 1.00 0.00 N ATOM 624 CA ILE A 46 -5.931 -0.686 -8.515 1.00 0.00 C ATOM 625 C ILE A 46 -5.638 0.227 -9.708 1.00 0.00 C ATOM 626 O ILE A 46 -6.464 0.313 -10.611 1.00 0.00 O ATOM 627 CB ILE A 46 -5.910 0.127 -7.200 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.275 -0.792 -6.027 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.865 1.320 -7.274 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.175 -0.150 -4.667 1.00 0.00 C ATOM 0 H ILE A 46 -4.448 -1.819 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.925 -1.109 -8.657 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.906 0.523 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.294 -1.152 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.622 -1.665 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.829 1.873 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.567 1.975 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.880 0.963 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.452 -0.875 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.152 0.185 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.849 0.705 -4.618 1.00 0.00 H new ATOM 642 N GLU A 47 -4.529 0.984 -9.612 1.00 0.00 N ATOM 643 CA GLU A 47 -3.853 1.676 -10.748 1.00 0.00 C ATOM 644 C GLU A 47 -3.635 3.152 -10.441 1.00 0.00 C ATOM 645 O GLU A 47 -2.629 3.726 -10.856 1.00 0.00 O ATOM 646 CB GLU A 47 -4.582 1.607 -12.106 1.00 0.00 C ATOM 647 CG GLU A 47 -4.594 0.234 -12.759 1.00 0.00 C ATOM 648 CD GLU A 47 -4.967 0.291 -14.223 1.00 0.00 C ATOM 649 OE1 GLU A 47 -6.113 -0.069 -14.558 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.115 0.692 -15.041 1.00 0.00 O ATOM 0 H GLU A 47 -4.058 1.141 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.917 1.125 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.612 1.935 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.113 2.314 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.609 -0.222 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.300 -0.409 -12.233 1.00 0.00 H new ATOM 657 N LYS A 48 -4.567 3.776 -9.719 1.00 0.00 N ATOM 658 CA LYS A 48 -4.523 5.222 -9.506 1.00 0.00 C ATOM 659 C LYS A 48 -3.562 5.568 -8.372 1.00 0.00 C ATOM 660 O LYS A 48 -3.900 6.333 -7.467 1.00 0.00 O ATOM 661 CB LYS A 48 -5.926 5.761 -9.167 1.00 0.00 C ATOM 662 CG LYS A 48 -7.062 5.256 -10.070 1.00 0.00 C ATOM 663 CD LYS A 48 -6.737 5.424 -11.548 1.00 0.00 C ATOM 664 CE LYS A 48 -6.503 6.884 -11.902 1.00 0.00 C ATOM 665 NZ LYS A 48 -6.342 7.091 -13.364 1.00 0.00 N ATOM 0 H LYS A 48 -5.356 3.306 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.172 5.687 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.159 5.496 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.901 6.850 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.252 4.204 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.978 5.799 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.850 4.841 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.556 5.029 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.341 7.481 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.612 7.242 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.185 8.101 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.527 6.543 -13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.202 6.775 -13.856 1.00 0.00 H new ATOM 679 N VAL A 49 -2.350 5.044 -8.445 1.00 0.00 N ATOM 680 CA VAL A 49 -1.401 5.184 -7.365 1.00 0.00 C ATOM 681 C VAL A 49 -0.131 5.839 -7.902 1.00 0.00 C ATOM 682 O VAL A 49 0.323 5.519 -9.004 1.00 0.00 O ATOM 683 CB VAL A 49 -1.090 3.811 -6.700 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.251 3.255 -7.135 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.141 3.918 -5.190 1.00 0.00 C ATOM 0 H VAL A 49 -2.004 4.517 -9.246 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.833 5.817 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.861 3.118 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.424 2.297 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.254 3.116 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.041 3.952 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.920 2.946 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.404 4.646 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.136 4.239 -4.881 1.00 0.00 H new ATOM 695 N GLU A 50 0.392 6.794 -7.155 1.00 0.00 N ATOM 696 CA GLU A 50 1.615 7.486 -7.557 1.00 0.00 C ATOM 697 C GLU A 50 2.520 7.827 -6.381 1.00 0.00 C ATOM 698 O GLU A 50 2.155 8.621 -5.516 1.00 0.00 O ATOM 699 CB GLU A 50 1.280 8.777 -8.314 1.00 0.00 C ATOM 700 CG GLU A 50 1.041 8.568 -9.798 1.00 0.00 C ATOM 701 CD GLU A 50 2.248 7.973 -10.491 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.348 8.559 -10.395 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.103 6.922 -11.145 1.00 0.00 O ATOM 0 H GLU A 50 -0.004 7.111 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 50 2.154 6.794 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.391 9.227 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.096 9.487 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.183 7.911 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.791 9.522 -10.262 1.00 0.00 H new ATOM 710 N HIS A 51 3.688 7.194 -6.341 1.00 0.00 N ATOM 711 CA HIS A 51 4.783 7.656 -5.504 1.00 0.00 C ATOM 712 C HIS A 51 6.103 7.129 -6.046 1.00 0.00 C ATOM 713 O HIS A 51 6.201 5.967 -6.441 1.00 0.00 O ATOM 714 CB HIS A 51 4.614 7.203 -4.052 1.00 0.00 C ATOM 715 CG HIS A 51 5.702 7.703 -3.138 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.663 6.850 -2.648 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.952 8.958 -2.674 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.465 7.590 -1.906 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.076 8.870 -1.891 1.00 0.00 N ATOM 0 H HIS A 51 3.898 6.356 -6.883 1.00 0.00 H new ATOM 0 HA HIS A 51 4.778 8.746 -5.523 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.650 7.551 -3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.594 6.114 -4.019 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.740 5.848 -2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.378 9.849 -2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.327 7.210 -1.377 1.00 0.00 H new ATOM 727 N SER A 52 7.100 7.988 -6.081 1.00 0.00 N ATOM 728 CA SER A 52 8.448 7.574 -6.454 1.00 0.00 C ATOM 729 C SER A 52 9.481 8.508 -5.829 1.00 0.00 C ATOM 730 O SER A 52 9.474 9.714 -6.091 1.00 0.00 O ATOM 731 CB SER A 52 8.591 7.544 -7.978 1.00 0.00 C ATOM 732 OG SER A 52 8.130 8.751 -8.568 1.00 0.00 O ATOM 0 H SER A 52 7.008 8.979 -5.857 1.00 0.00 H new ATOM 0 HA SER A 52 8.625 6.568 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.636 7.384 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.027 6.702 -8.381 1.00 0.00 H new ATOM 0 HG SER A 52 8.397 9.511 -8.009 1.00 0.00 H new ATOM 738 N ASP A 53 10.345 7.971 -4.971 1.00 0.00 N ATOM 739 CA ASP A 53 11.311 8.801 -4.275 1.00 0.00 C ATOM 740 C ASP A 53 12.628 8.063 -4.090 1.00 0.00 C ATOM 741 O ASP A 53 12.674 6.838 -4.206 1.00 0.00 O ATOM 742 CB ASP A 53 10.768 9.264 -2.922 1.00 0.00 C ATOM 743 CG ASP A 53 11.302 10.630 -2.540 1.00 0.00 C ATOM 744 OD1 ASP A 53 10.537 11.614 -2.627 1.00 0.00 O ATOM 745 OD2 ASP A 53 12.493 10.742 -2.190 1.00 0.00 O ATOM 0 H ASP A 53 10.393 6.977 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 53 11.492 9.682 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.679 9.297 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.039 8.540 -2.154 1.00 0.00 H new ATOM 750 N LEU A 54 13.667 8.828 -3.769 1.00 0.00 N ATOM 751 CA LEU A 54 15.039 8.330 -3.588 1.00 0.00 C ATOM 752 C LEU A 54 15.591 7.582 -4.807 1.00 0.00 C ATOM 753 O LEU A 54 14.935 6.741 -5.417 1.00 0.00 O ATOM 754 CB LEU A 54 15.126 7.447 -2.330 1.00 0.00 C ATOM 755 CG LEU A 54 14.865 8.179 -0.984 1.00 0.00 C ATOM 756 CD1 LEU A 54 13.405 8.055 -0.534 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.791 7.683 0.132 1.00 0.00 C ATOM 0 H LEU A 54 13.583 9.834 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 54 15.668 9.211 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.407 6.633 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 54 16.117 6.994 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 54 15.082 9.231 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.269 8.582 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.753 8.492 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.153 7.003 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.572 8.223 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.632 6.616 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.829 7.857 -0.152 1.00 0.00 H new ATOM 769 N SER A 55 16.834 7.898 -5.132 1.00 0.00 N ATOM 770 CA SER A 55 17.518 7.280 -6.255 1.00 0.00 C ATOM 771 C SER A 55 18.307 6.065 -5.777 1.00 0.00 C ATOM 772 O SER A 55 18.382 5.046 -6.460 1.00 0.00 O ATOM 773 CB SER A 55 18.441 8.301 -6.918 1.00 0.00 C ATOM 774 OG SER A 55 19.220 8.983 -5.948 1.00 0.00 O ATOM 0 H SER A 55 17.394 8.586 -4.628 1.00 0.00 H new ATOM 0 HA SER A 55 16.785 6.945 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.097 7.797 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.848 9.019 -7.485 1.00 0.00 H new ATOM 0 HG SER A 55 19.805 9.630 -6.394 1.00 0.00 H new ATOM 780 N PHE A 56 18.894 6.186 -4.596 1.00 0.00 N ATOM 781 CA PHE A 56 19.586 5.076 -3.960 1.00 0.00 C ATOM 782 C PHE A 56 19.379 5.142 -2.451 1.00 0.00 C ATOM 783 O PHE A 56 19.224 6.226 -1.889 1.00 0.00 O ATOM 784 CB PHE A 56 21.082 5.107 -4.299 1.00 0.00 C ATOM 785 CG PHE A 56 21.866 3.970 -3.705 1.00 0.00 C ATOM 786 CD1 PHE A 56 22.743 4.190 -2.655 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.722 2.681 -4.192 1.00 0.00 C ATOM 788 CE1 PHE A 56 23.463 3.147 -2.104 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.439 1.633 -3.646 1.00 0.00 C ATOM 790 CZ PHE A 56 23.311 1.867 -2.601 1.00 0.00 C ATOM 0 H PHE A 56 18.904 7.050 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 56 19.174 4.139 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.199 5.089 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.504 6.049 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 56 22.865 5.189 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.041 2.493 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 56 24.143 3.332 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.318 0.633 -4.036 1.00 0.00 H new ATOM 0 HZ PHE A 56 23.873 1.050 -2.173 1.00 0.00 H new ATOM 800 N SER A 57 19.362 3.986 -1.804 1.00 0.00 N ATOM 801 CA SER A 57 19.162 3.914 -0.368 1.00 0.00 C ATOM 802 C SER A 57 19.551 2.528 0.127 1.00 0.00 C ATOM 803 O SER A 57 19.775 1.623 -0.675 1.00 0.00 O ATOM 804 CB SER A 57 17.695 4.213 -0.028 1.00 0.00 C ATOM 805 OG SER A 57 17.497 4.326 1.372 1.00 0.00 O ATOM 0 H SER A 57 19.485 3.080 -2.256 1.00 0.00 H new ATOM 0 HA SER A 57 19.789 4.657 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.389 5.139 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.060 3.420 -0.423 1.00 0.00 H new ATOM 0 HG SER A 57 17.991 5.102 1.711 1.00 0.00 H new ATOM 811 N LYS A 58 19.654 2.376 1.439 1.00 0.00 N ATOM 812 CA LYS A 58 19.949 1.086 2.052 1.00 0.00 C ATOM 813 C LYS A 58 18.968 0.844 3.193 1.00 0.00 C ATOM 814 O LYS A 58 17.786 1.168 3.082 1.00 0.00 O ATOM 815 CB LYS A 58 21.379 1.038 2.608 1.00 0.00 C ATOM 816 CG LYS A 58 22.480 1.393 1.622 1.00 0.00 C ATOM 817 CD LYS A 58 22.804 2.875 1.664 1.00 0.00 C ATOM 818 CE LYS A 58 24.274 3.126 1.381 1.00 0.00 C ATOM 819 NZ LYS A 58 25.150 2.452 2.378 1.00 0.00 N ATOM 0 H LYS A 58 19.536 3.138 2.107 1.00 0.00 H new ATOM 0 HA LYS A 58 19.854 0.316 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.443 1.719 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.568 0.035 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 58 23.376 0.816 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.172 1.115 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.195 3.404 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.546 3.278 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.518 2.768 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.469 4.198 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.026 2.999 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.654 2.391 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.382 1.495 2.045 1.00 0.00 H new ATOM 833 N ASP A 59 19.470 0.321 4.308 1.00 0.00 N ATOM 834 CA ASP A 59 18.677 0.150 5.525 1.00 0.00 C ATOM 835 C ASP A 59 18.486 1.496 6.229 1.00 0.00 C ATOM 836 O ASP A 59 18.361 1.571 7.449 1.00 0.00 O ATOM 837 CB ASP A 59 19.374 -0.840 6.467 1.00 0.00 C ATOM 838 CG ASP A 59 20.698 -0.309 6.994 1.00 0.00 C ATOM 839 OD1 ASP A 59 20.843 -0.173 8.225 1.00 0.00 O ATOM 840 OD2 ASP A 59 21.593 -0.006 6.175 1.00 0.00 O ATOM 0 H ASP A 59 20.436 0.004 4.395 1.00 0.00 H new ATOM 0 HA ASP A 59 17.698 -0.244 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.716 -1.063 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.547 -1.778 5.940 1.00 0.00 H new ATOM 845 N TRP A 60 18.445 2.554 5.435 1.00 0.00 N ATOM 846 CA TRP A 60 18.286 3.903 5.944 1.00 0.00 C ATOM 847 C TRP A 60 16.921 4.447 5.534 1.00 0.00 C ATOM 848 O TRP A 60 16.401 5.370 6.158 1.00 0.00 O ATOM 849 CB TRP A 60 19.424 4.805 5.427 1.00 0.00 C ATOM 850 CG TRP A 60 19.022 6.238 5.222 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.630 7.139 6.184 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.969 6.938 3.966 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.296 8.331 5.596 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.514 8.243 4.243 1.00 0.00 C ATOM 855 CE3 TRP A 60 19.257 6.590 2.632 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.336 9.197 3.244 1.00 0.00 C ATOM 857 CZ3 TRP A 60 19.082 7.542 1.646 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.628 8.831 1.954 1.00 0.00 C ATOM 0 H TRP A 60 18.521 2.500 4.419 1.00 0.00 H new ATOM 0 HA TRP A 60 18.339 3.890 7.033 1.00 0.00 H new ATOM 0 HB2 TRP A 60 20.253 4.768 6.134 1.00 0.00 H new ATOM 0 HB3 TRP A 60 19.792 4.403 4.483 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.591 6.937 7.244 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.942 9.153 6.085 1.00 0.00 H new ATOM 0 HE3 TRP A 60 19.608 5.599 2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 17.981 10.190 3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 19.299 7.288 0.619 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.505 9.552 1.159 1.00 0.00 H new ATOM 869 N SER A 61 16.339 3.847 4.497 1.00 0.00 N ATOM 870 CA SER A 61 15.037 4.266 3.995 1.00 0.00 C ATOM 871 C SER A 61 14.049 4.406 5.156 1.00 0.00 C ATOM 872 O SER A 61 14.097 3.620 6.104 1.00 0.00 O ATOM 873 CB SER A 61 14.525 3.239 2.994 1.00 0.00 C ATOM 874 OG SER A 61 13.301 3.654 2.417 1.00 0.00 O ATOM 0 H SER A 61 16.753 3.066 3.988 1.00 0.00 H new ATOM 0 HA SER A 61 15.135 5.232 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.268 3.089 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.389 2.279 3.491 1.00 0.00 H new ATOM 0 HG SER A 61 12.875 2.892 1.971 1.00 0.00 H new ATOM 880 N PHE A 62 13.168 5.400 5.114 1.00 0.00 N ATOM 881 CA PHE A 62 12.336 5.705 6.250 1.00 0.00 C ATOM 882 C PHE A 62 10.882 5.313 5.965 1.00 0.00 C ATOM 883 O PHE A 62 10.617 4.293 5.331 1.00 0.00 O ATOM 884 CB PHE A 62 12.448 7.207 6.564 1.00 0.00 C ATOM 885 CG PHE A 62 12.358 8.104 5.351 1.00 0.00 C ATOM 886 CD1 PHE A 62 13.482 8.364 4.578 1.00 0.00 C ATOM 887 CD2 PHE A 62 11.152 8.687 4.987 1.00 0.00 C ATOM 888 CE1 PHE A 62 13.405 9.185 3.470 1.00 0.00 C ATOM 889 CE2 PHE A 62 11.070 9.510 3.879 1.00 0.00 C ATOM 890 CZ PHE A 62 12.196 9.758 3.120 1.00 0.00 C ATOM 0 H PHE A 62 13.019 6.001 4.303 1.00 0.00 H new ATOM 0 HA PHE A 62 12.671 5.133 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.657 7.480 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.397 7.391 7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.428 7.919 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.267 8.495 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.287 9.379 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.126 9.958 3.608 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.133 10.399 2.253 1.00 0.00 H new ATOM 900 N TYR A 63 9.959 6.132 6.440 1.00 0.00 N ATOM 901 CA TYR A 63 8.532 5.968 6.184 1.00 0.00 C ATOM 902 C TYR A 63 8.247 6.008 4.666 1.00 0.00 C ATOM 903 O TYR A 63 8.377 7.055 4.032 1.00 0.00 O ATOM 904 CB TYR A 63 7.812 7.122 6.918 1.00 0.00 C ATOM 905 CG TYR A 63 6.284 7.144 6.817 1.00 0.00 C ATOM 906 CD1 TYR A 63 5.639 7.674 5.699 1.00 0.00 C ATOM 907 CD2 TYR A 63 5.487 6.660 7.855 1.00 0.00 C ATOM 908 CE1 TYR A 63 4.251 7.711 5.615 1.00 0.00 C ATOM 909 CE2 TYR A 63 4.100 6.693 7.775 1.00 0.00 C ATOM 910 CZ TYR A 63 3.492 7.218 6.656 1.00 0.00 C ATOM 911 OH TYR A 63 2.115 7.253 6.582 1.00 0.00 O ATOM 0 H TYR A 63 10.179 6.940 7.022 1.00 0.00 H new ATOM 0 HA TYR A 63 8.175 5.004 6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.084 7.079 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.194 8.066 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.229 8.063 4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.957 6.252 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.770 8.123 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.501 6.308 8.587 1.00 0.00 H new ATOM 0 HH TYR A 63 1.797 6.495 6.049 1.00 0.00 H new ATOM 921 N LEU A 64 7.874 4.863 4.091 1.00 0.00 N ATOM 922 CA LEU A 64 7.510 4.787 2.672 1.00 0.00 C ATOM 923 C LEU A 64 5.988 4.646 2.542 1.00 0.00 C ATOM 924 O LEU A 64 5.396 3.741 3.133 1.00 0.00 O ATOM 925 CB LEU A 64 8.193 3.558 2.033 1.00 0.00 C ATOM 926 CG LEU A 64 9.440 3.804 1.160 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.182 2.491 0.931 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.048 4.435 -0.173 1.00 0.00 C ATOM 0 H LEU A 64 7.816 3.973 4.586 1.00 0.00 H new ATOM 0 HA LEU A 64 7.837 5.694 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.475 2.876 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.452 3.043 1.422 1.00 0.00 H new ATOM 0 HG LEU A 64 10.101 4.496 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.062 2.673 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.492 2.076 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.524 1.784 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.942 4.600 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.371 3.768 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.551 5.388 0.008 1.00 0.00 H new ATOM 940 N LEU A 65 5.356 5.546 1.781 1.00 0.00 N ATOM 941 CA LEU A 65 3.909 5.496 1.560 1.00 0.00 C ATOM 942 C LEU A 65 3.540 5.865 0.117 1.00 0.00 C ATOM 943 O LEU A 65 4.170 6.723 -0.497 1.00 0.00 O ATOM 944 CB LEU A 65 3.217 6.459 2.526 1.00 0.00 C ATOM 945 CG LEU A 65 1.776 6.839 2.183 1.00 0.00 C ATOM 946 CD1 LEU A 65 0.864 5.634 2.290 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.292 7.962 3.089 1.00 0.00 C ATOM 0 H LEU A 65 5.826 6.318 1.308 1.00 0.00 H new ATOM 0 HA LEU A 65 3.575 4.474 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.226 6.013 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.809 7.373 2.581 1.00 0.00 H new ATOM 0 HG LEU A 65 1.750 7.193 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.156 5.927 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.199 4.862 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.893 5.245 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.265 8.220 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.334 7.635 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.930 8.836 2.957 1.00 0.00 H new ATOM 959 N TYR A 66 2.498 5.213 -0.393 1.00 0.00 N ATOM 960 CA TYR A 66 1.951 5.479 -1.726 1.00 0.00 C ATOM 961 C TYR A 66 0.463 5.815 -1.579 1.00 0.00 C ATOM 962 O TYR A 66 -0.149 5.418 -0.590 1.00 0.00 O ATOM 963 CB TYR A 66 2.122 4.237 -2.624 1.00 0.00 C ATOM 964 CG TYR A 66 3.563 3.947 -3.026 1.00 0.00 C ATOM 965 CD1 TYR A 66 3.930 3.897 -4.365 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.555 3.731 -2.073 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.235 3.641 -4.745 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.863 3.477 -2.447 1.00 0.00 C ATOM 969 CZ TYR A 66 6.195 3.432 -3.782 1.00 0.00 C ATOM 970 OH TYR A 66 7.495 3.180 -4.156 1.00 0.00 O ATOM 0 H TYR A 66 2.003 4.477 0.111 1.00 0.00 H new ATOM 0 HA TYR A 66 2.480 6.313 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.721 3.368 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.525 4.371 -3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.181 4.061 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.299 3.762 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.499 3.605 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.620 3.315 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 66 8.047 3.056 -3.356 1.00 0.00 H new ATOM 980 N TYR A 67 -0.139 6.508 -2.544 1.00 0.00 N ATOM 981 CA TYR A 67 -1.522 6.955 -2.362 1.00 0.00 C ATOM 982 C TYR A 67 -2.400 6.670 -3.585 1.00 0.00 C ATOM 983 O TYR A 67 -1.973 6.868 -4.721 1.00 0.00 O ATOM 984 CB TYR A 67 -1.598 8.448 -1.974 1.00 0.00 C ATOM 985 CG TYR A 67 -0.797 9.413 -2.840 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.451 9.867 -2.427 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.300 9.896 -4.046 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.174 10.767 -3.192 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.581 10.792 -4.813 1.00 0.00 C ATOM 990 CZ TYR A 67 0.651 11.223 -4.382 1.00 0.00 C ATOM 991 OH TYR A 67 1.362 12.125 -5.145 1.00 0.00 O ATOM 0 H TYR A 67 0.290 6.767 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.919 6.368 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.644 8.755 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.259 8.551 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.863 9.512 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.269 9.564 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.142 11.109 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.985 11.152 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 67 0.852 12.343 -5.953 1.00 0.00 H new ATOM 1001 N THR A 68 -3.628 6.193 -3.337 1.00 0.00 N ATOM 1002 CA THR A 68 -4.608 5.960 -4.401 1.00 0.00 C ATOM 1003 C THR A 68 -6.011 6.349 -3.916 1.00 0.00 C ATOM 1004 O THR A 68 -6.345 6.180 -2.737 1.00 0.00 O ATOM 1005 CB THR A 68 -4.634 4.478 -4.895 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.323 4.389 -6.150 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.342 3.553 -3.920 1.00 0.00 C ATOM 0 H THR A 68 -3.965 5.961 -2.403 1.00 0.00 H new ATOM 0 HA THR A 68 -4.304 6.582 -5.243 1.00 0.00 H new ATOM 0 HB THR A 68 -3.593 4.167 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.333 3.457 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.332 2.536 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.830 3.577 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.373 3.882 -3.790 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.797 6.921 -4.826 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.214 7.213 -4.585 1.00 0.00 C ATOM 1017 C GLU A 69 -8.984 5.919 -4.305 1.00 0.00 C ATOM 1018 O GLU A 69 -8.763 4.916 -4.986 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.819 7.874 -5.836 1.00 0.00 C ATOM 1020 CG GLU A 69 -10.117 8.635 -5.590 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.887 10.050 -5.105 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.564 10.922 -5.943 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.052 10.304 -3.899 1.00 0.00 O ATOM 0 H GLU A 69 -6.472 7.196 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.290 7.878 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.085 8.561 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.002 7.103 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.697 8.662 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.714 8.097 -4.854 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.872 5.923 -3.309 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.717 4.756 -3.066 1.00 0.00 C ATOM 1032 C PHE A 70 -12.163 5.147 -2.790 1.00 0.00 C ATOM 1033 O PHE A 70 -12.450 6.297 -2.482 1.00 0.00 O ATOM 1034 CB PHE A 70 -10.161 3.910 -1.903 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.326 4.463 -0.499 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.561 4.857 -0.008 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -9.232 4.547 0.343 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.700 5.317 1.285 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.368 5.015 1.642 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.606 5.397 2.109 1.00 0.00 C ATOM 0 H PHE A 70 -10.022 6.704 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.705 4.156 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.640 2.932 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.097 3.751 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.429 4.803 -0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.259 4.244 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.672 5.615 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.504 5.080 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.715 5.758 3.121 1.00 0.00 H new ATOM 1050 N THR A 71 -13.066 4.189 -2.947 1.00 0.00 N ATOM 1051 CA THR A 71 -14.420 4.298 -2.422 1.00 0.00 C ATOM 1052 C THR A 71 -14.858 2.940 -1.851 1.00 0.00 C ATOM 1053 O THR A 71 -15.008 1.980 -2.603 1.00 0.00 O ATOM 1054 CB THR A 71 -15.387 4.764 -3.533 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.920 6.010 -4.074 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.802 4.941 -3.002 1.00 0.00 C ATOM 0 H THR A 71 -12.881 3.316 -3.441 1.00 0.00 H new ATOM 0 HA THR A 71 -14.441 5.039 -1.623 1.00 0.00 H new ATOM 0 HB THR A 71 -15.411 3.999 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.530 6.309 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.455 5.269 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.163 3.992 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.802 5.689 -2.209 1.00 0.00 H new ATOM 1064 N PRO A 72 -15.018 2.807 -0.507 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.313 1.510 0.096 1.00 0.00 C ATOM 1066 C PRO A 72 -16.721 1.022 -0.159 1.00 0.00 C ATOM 1067 O PRO A 72 -17.679 1.793 -0.220 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.085 1.701 1.601 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.763 3.151 1.822 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.922 3.882 0.511 1.00 0.00 C ATOM 0 HA PRO A 72 -14.671 0.748 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.973 1.414 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.269 1.068 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.426 3.576 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.745 3.260 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.814 4.508 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.073 4.537 0.317 1.00 0.00 H new ATOM 1078 N THR A 73 -16.794 -0.282 -0.309 1.00 0.00 N ATOM 1079 CA THR A 73 -18.028 -1.020 -0.474 1.00 0.00 C ATOM 1080 C THR A 73 -17.905 -2.265 0.388 1.00 0.00 C ATOM 1081 O THR A 73 -16.795 -2.618 0.789 1.00 0.00 O ATOM 1082 CB THR A 73 -18.235 -1.456 -1.944 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.280 -2.472 -2.268 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.072 -0.285 -2.901 1.00 0.00 C ATOM 0 H THR A 73 -15.967 -0.879 -0.320 1.00 0.00 H new ATOM 0 HA THR A 73 -18.874 -0.394 -0.190 1.00 0.00 H new ATOM 0 HB THR A 73 -19.250 -1.838 -2.050 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.811 -2.229 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.224 -0.628 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.807 0.484 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.068 0.129 -2.802 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.017 -2.911 0.691 1.00 0.00 N ATOM 1093 CA GLU A 74 -18.988 -4.183 1.404 1.00 0.00 C ATOM 1094 C GLU A 74 -18.430 -5.321 0.540 1.00 0.00 C ATOM 1095 O GLU A 74 -18.416 -6.476 0.969 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.382 -4.554 1.939 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.466 -4.716 0.885 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.726 -3.464 0.080 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -22.111 -2.441 0.677 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.533 -3.492 -1.152 1.00 0.00 O ATOM 0 H GLU A 74 -19.952 -2.579 0.456 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.313 -4.050 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.301 -5.486 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.698 -3.785 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.183 -5.521 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.391 -5.022 1.373 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.002 -5.017 -0.685 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.494 -6.052 -1.573 1.00 0.00 C ATOM 1109 C LYS A 75 -15.996 -5.916 -1.847 1.00 0.00 C ATOM 1110 O LYS A 75 -15.291 -6.926 -1.933 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.265 -6.062 -2.901 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.778 -6.297 -2.779 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.156 -7.779 -2.661 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.817 -8.376 -1.303 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.483 -9.685 -1.089 1.00 0.00 N ATOM 0 H LYS A 75 -17.998 -4.075 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.647 -6.999 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.101 -5.109 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.844 -6.837 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.152 -5.763 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.276 -5.871 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.225 -7.891 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.639 -8.342 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.737 -8.501 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.118 -7.683 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.225 -10.057 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.514 -9.562 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.176 -10.355 -1.823 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.498 -4.695 -1.989 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.116 -4.512 -2.409 1.00 0.00 C ATOM 1131 C ASP A 76 -13.169 -4.441 -1.205 1.00 0.00 C ATOM 1132 O ASP A 76 -13.345 -3.631 -0.304 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.945 -3.255 -3.268 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.827 -3.220 -4.500 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -16.006 -2.837 -4.396 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.316 -3.526 -5.591 1.00 0.00 O ATOM 0 H ASP A 76 -16.018 -3.833 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.857 -5.383 -3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.159 -2.379 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.903 -3.180 -3.579 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.163 -5.295 -1.235 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.113 -5.389 -0.220 1.00 0.00 C ATOM 1143 C GLU A 77 -9.932 -4.543 -0.703 1.00 0.00 C ATOM 1144 O GLU A 77 -9.742 -4.395 -1.916 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.775 -6.895 -0.095 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.565 -7.312 0.735 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.262 -7.363 -0.063 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.591 -8.415 -0.019 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.925 -6.395 -0.764 1.00 0.00 O ATOM 0 H GLU A 77 -12.044 -5.969 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.401 -5.013 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.649 -7.396 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.634 -7.286 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.446 -6.614 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.754 -8.294 1.169 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.186 -3.936 0.213 1.00 0.00 N ATOM 1157 CA TYR A 78 -7.995 -3.167 -0.162 1.00 0.00 C ATOM 1158 C TYR A 78 -6.747 -3.742 0.500 1.00 0.00 C ATOM 1159 O TYR A 78 -6.708 -3.934 1.719 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.169 -1.689 0.213 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.248 -0.996 -0.586 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.588 -1.167 -0.266 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.928 -0.185 -1.668 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.582 -0.552 -1.005 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.916 0.436 -2.407 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.239 0.248 -2.073 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.225 0.849 -2.820 1.00 0.00 O ATOM 0 H TYR A 78 -9.379 -3.958 1.214 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.871 -3.238 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.408 -1.616 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.223 -1.169 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.858 -1.790 0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.892 -0.038 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.620 -0.698 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.652 1.066 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.999 1.038 -2.249 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.731 -4.008 -0.313 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.501 -4.634 0.150 1.00 0.00 C ATOM 1179 C ALA A 79 -3.285 -3.925 -0.439 1.00 0.00 C ATOM 1180 O ALA A 79 -3.408 -3.206 -1.427 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.503 -6.101 -0.248 1.00 0.00 C ATOM 0 H ALA A 79 -5.738 -3.795 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.446 -4.555 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.583 -6.573 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.359 -6.600 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.568 -6.184 -1.333 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.117 -4.095 0.171 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.895 -3.535 -0.393 1.00 0.00 C ATOM 1189 C CYS A 80 0.165 -4.621 -0.565 1.00 0.00 C ATOM 1190 O CYS A 80 0.403 -5.414 0.347 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.366 -2.397 0.477 1.00 0.00 C ATOM 1192 SG CYS A 80 1.267 -1.779 -0.025 1.00 0.00 S ATOM 0 H CYS A 80 -1.991 -4.608 1.043 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.130 -3.127 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.079 -1.573 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.311 -2.739 1.511 1.00 0.00 H new ATOM 1197 N ARG A 81 0.771 -4.668 -1.748 1.00 0.00 N ATOM 1198 CA ARG A 81 1.751 -5.695 -2.092 1.00 0.00 C ATOM 1199 C ARG A 81 3.157 -5.102 -2.066 1.00 0.00 C ATOM 1200 O ARG A 81 3.373 -4.042 -2.640 1.00 0.00 O ATOM 1201 CB ARG A 81 1.476 -6.215 -3.505 1.00 0.00 C ATOM 1202 CG ARG A 81 2.136 -7.561 -3.823 1.00 0.00 C ATOM 1203 CD ARG A 81 1.116 -8.682 -4.084 1.00 0.00 C ATOM 1204 NE ARG A 81 1.451 -9.906 -3.355 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.873 -11.087 -3.584 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.020 -11.210 -4.561 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.207 -12.146 -2.856 1.00 0.00 N ATOM 0 H ARG A 81 0.597 -3.996 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 81 1.675 -6.506 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.399 -6.311 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.823 -5.475 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.776 -7.448 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.780 -7.849 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.122 -8.344 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.076 -8.895 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 81 2.167 -9.854 -2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.263 -10.402 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.462 -12.112 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.907 -12.058 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.763 -13.047 -3.033 1.00 0.00 H new ATOM 1221 N VAL A 82 4.107 -5.763 -1.414 1.00 0.00 N ATOM 1222 CA VAL A 82 5.492 -5.305 -1.470 1.00 0.00 C ATOM 1223 C VAL A 82 6.432 -6.459 -1.799 1.00 0.00 C ATOM 1224 O VAL A 82 6.308 -7.567 -1.269 1.00 0.00 O ATOM 1225 CB VAL A 82 5.949 -4.571 -0.170 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.420 -5.542 0.901 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.036 -3.549 -0.477 1.00 0.00 C ATOM 0 H VAL A 82 3.951 -6.600 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 82 5.540 -4.569 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 82 5.077 -4.049 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.728 -4.986 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.606 -6.218 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.264 -6.119 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.338 -3.051 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.897 -4.054 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.652 -2.810 -1.180 1.00 0.00 H new ATOM 1237 N ASN A 83 7.326 -6.194 -2.732 1.00 0.00 N ATOM 1238 CA ASN A 83 8.325 -7.169 -3.147 1.00 0.00 C ATOM 1239 C ASN A 83 9.713 -6.564 -3.095 1.00 0.00 C ATOM 1240 O ASN A 83 9.902 -5.381 -3.390 1.00 0.00 O ATOM 1241 CB ASN A 83 8.036 -7.682 -4.565 1.00 0.00 C ATOM 1242 CG ASN A 83 8.951 -8.831 -4.963 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.354 -9.635 -4.123 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.297 -8.911 -6.245 1.00 0.00 N ATOM 0 H ASN A 83 7.383 -5.302 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 83 8.277 -8.010 -2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.998 -8.010 -4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.154 -6.864 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.916 -9.657 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.943 -8.226 -6.913 1.00 0.00 H new ATOM 1251 N HIS A 84 10.669 -7.381 -2.697 1.00 0.00 N ATOM 1252 CA HIS A 84 12.066 -7.000 -2.676 1.00 0.00 C ATOM 1253 C HIS A 84 12.878 -8.152 -3.264 1.00 0.00 C ATOM 1254 O HIS A 84 12.398 -9.285 -3.263 1.00 0.00 O ATOM 1255 CB HIS A 84 12.507 -6.700 -1.233 1.00 0.00 C ATOM 1256 CG HIS A 84 13.919 -6.202 -1.084 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.996 -7.048 -1.198 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.368 -4.960 -0.789 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.067 -6.310 -0.964 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.736 -5.039 -0.711 1.00 0.00 N ATOM 0 H HIS A 84 10.496 -8.334 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 84 12.226 -6.098 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.830 -5.957 -0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.394 -7.607 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.765 -4.076 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.080 -6.685 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.378 -4.275 -0.500 1.00 0.00 H new ATOM 1268 N VAL A 85 14.069 -7.874 -3.782 1.00 0.00 N ATOM 1269 CA VAL A 85 14.934 -8.922 -4.350 1.00 0.00 C ATOM 1270 C VAL A 85 15.093 -10.122 -3.398 1.00 0.00 C ATOM 1271 O VAL A 85 15.186 -11.270 -3.842 1.00 0.00 O ATOM 1272 CB VAL A 85 16.339 -8.377 -4.707 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.213 -9.464 -5.326 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.231 -7.188 -5.646 1.00 0.00 C ATOM 0 H VAL A 85 14.465 -6.935 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 85 14.436 -9.257 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 85 16.812 -8.049 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.193 -9.051 -5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.329 -10.285 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.743 -9.834 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.229 -6.821 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.728 -7.494 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.658 -6.395 -5.165 1.00 0.00 H new ATOM 1284 N THR A 86 15.094 -9.856 -2.094 1.00 0.00 N ATOM 1285 CA THR A 86 15.301 -10.924 -1.107 1.00 0.00 C ATOM 1286 C THR A 86 14.118 -11.897 -1.095 1.00 0.00 C ATOM 1287 O THR A 86 14.313 -13.116 -1.142 1.00 0.00 O ATOM 1288 CB THR A 86 15.570 -10.391 0.331 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.639 -11.483 1.260 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.492 -9.411 0.781 1.00 0.00 C ATOM 0 H THR A 86 14.957 -8.927 -1.696 1.00 0.00 H new ATOM 0 HA THR A 86 16.201 -11.452 -1.422 1.00 0.00 H new ATOM 0 HB THR A 86 16.523 -9.863 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.810 -11.136 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.716 -9.062 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.466 -8.560 0.100 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.523 -9.909 0.776 1.00 0.00 H new ATOM 1298 N LEU A 87 12.896 -11.373 -1.020 1.00 0.00 N ATOM 1299 CA LEU A 87 11.707 -12.225 -1.064 1.00 0.00 C ATOM 1300 C LEU A 87 11.612 -12.941 -2.408 1.00 0.00 C ATOM 1301 O LEU A 87 12.106 -12.456 -3.425 1.00 0.00 O ATOM 1302 CB LEU A 87 10.421 -11.419 -0.860 1.00 0.00 C ATOM 1303 CG LEU A 87 10.442 -10.387 0.263 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.211 -9.508 0.179 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.521 -11.072 1.623 1.00 0.00 C ATOM 0 H LEU A 87 12.703 -10.376 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 87 11.808 -12.947 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.187 -10.905 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.606 -12.117 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 87 11.328 -9.763 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.233 -8.773 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.196 -8.993 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.317 -10.124 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.535 -10.318 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.654 -11.719 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.431 -11.670 1.677 1.00 0.00 H new ATOM 1317 N SER A 88 10.987 -14.101 -2.403 1.00 0.00 N ATOM 1318 CA SER A 88 10.671 -14.806 -3.632 1.00 0.00 C ATOM 1319 C SER A 88 9.163 -14.735 -3.858 1.00 0.00 C ATOM 1320 O SER A 88 8.635 -15.204 -4.869 1.00 0.00 O ATOM 1321 CB SER A 88 11.138 -16.260 -3.532 1.00 0.00 C ATOM 1322 OG SER A 88 11.062 -16.922 -4.784 1.00 0.00 O ATOM 0 H SER A 88 10.685 -14.580 -1.555 1.00 0.00 H new ATOM 0 HA SER A 88 11.185 -14.345 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.165 -16.288 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.526 -16.790 -2.802 1.00 0.00 H new ATOM 0 HG SER A 88 10.361 -16.509 -5.331 1.00 0.00 H new ATOM 1328 N GLN A 89 8.483 -14.137 -2.889 1.00 0.00 N ATOM 1329 CA GLN A 89 7.044 -13.949 -2.943 1.00 0.00 C ATOM 1330 C GLN A 89 6.668 -12.616 -2.281 1.00 0.00 C ATOM 1331 O GLN A 89 7.004 -12.394 -1.116 1.00 0.00 O ATOM 1332 CB GLN A 89 6.317 -15.116 -2.243 1.00 0.00 C ATOM 1333 CG GLN A 89 6.705 -15.310 -0.772 1.00 0.00 C ATOM 1334 CD GLN A 89 5.877 -16.368 -0.074 1.00 0.00 C ATOM 1335 OE1 GLN A 89 6.239 -17.543 -0.047 1.00 0.00 O ATOM 1336 NE2 GLN A 89 4.761 -15.955 0.506 1.00 0.00 N ATOM 0 H GLN A 89 8.917 -13.769 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 89 6.733 -13.929 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.242 -14.948 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.527 -16.037 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.758 -15.584 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.592 -14.363 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.497 -14.971 0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.166 -16.621 0.999 1.00 0.00 H new ATOM 1345 N PRO A 90 6.014 -11.686 -3.005 1.00 0.00 N ATOM 1346 CA PRO A 90 5.538 -10.443 -2.392 1.00 0.00 C ATOM 1347 C PRO A 90 4.435 -10.700 -1.387 1.00 0.00 C ATOM 1348 O PRO A 90 3.705 -11.691 -1.480 1.00 0.00 O ATOM 1349 CB PRO A 90 4.992 -9.610 -3.547 1.00 0.00 C ATOM 1350 CG PRO A 90 4.766 -10.575 -4.671 1.00 0.00 C ATOM 1351 CD PRO A 90 5.717 -11.749 -4.452 1.00 0.00 C ATOM 0 HA PRO A 90 6.343 -9.945 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.064 -9.112 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.697 -8.831 -3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.731 -10.915 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.957 -10.098 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.254 -12.697 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.621 -11.650 -5.052 1.00 0.00 H new ATOM 1359 N LYS A 91 4.285 -9.784 -0.452 1.00 0.00 N ATOM 1360 CA LYS A 91 3.296 -9.946 0.594 1.00 0.00 C ATOM 1361 C LYS A 91 2.081 -9.087 0.297 1.00 0.00 C ATOM 1362 O LYS A 91 2.197 -8.031 -0.321 1.00 0.00 O ATOM 1363 CB LYS A 91 3.853 -9.565 1.972 1.00 0.00 C ATOM 1364 CG LYS A 91 5.148 -10.271 2.370 1.00 0.00 C ATOM 1365 CD LYS A 91 5.059 -11.788 2.239 1.00 0.00 C ATOM 1366 CE LYS A 91 5.849 -12.490 3.343 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.437 -12.037 4.704 1.00 0.00 N ATOM 0 H LYS A 91 4.832 -8.925 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 91 3.017 -11.000 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.024 -8.489 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.095 -9.781 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.963 -9.904 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.395 -10.014 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.015 -12.098 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.441 -12.094 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.706 -13.567 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.913 -12.298 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.508 -12.832 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.061 -11.266 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.455 -11.697 4.674 1.00 0.00 H new ATOM 1381 N ILE A 92 0.929 -9.566 0.716 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.281 -8.762 0.681 1.00 0.00 C ATOM 1383 C ILE A 92 -0.726 -8.437 2.093 1.00 0.00 C ATOM 1384 O ILE A 92 -0.804 -9.314 2.959 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.451 -9.401 -0.134 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.541 -8.762 -1.526 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.786 -9.261 0.581 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.339 -7.268 -1.518 1.00 0.00 C ATOM 0 H ILE A 92 0.802 -10.508 1.086 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.024 -7.846 0.149 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.233 -10.465 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.793 -9.218 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.517 -8.986 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.571 -9.719 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.734 -9.759 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.011 -8.205 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.416 -6.885 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.102 -6.801 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.352 -7.036 -1.117 1.00 0.00 H new ATOM 1400 N VAL A 93 -0.982 -7.164 2.324 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.506 -6.702 3.588 1.00 0.00 C ATOM 1402 C VAL A 93 -2.874 -6.091 3.349 1.00 0.00 C ATOM 1403 O VAL A 93 -3.011 -5.142 2.581 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.570 -5.665 4.253 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.331 -4.460 3.357 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.125 -5.230 5.601 1.00 0.00 C ATOM 0 H VAL A 93 -0.832 -6.424 1.639 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.581 -7.551 4.268 1.00 0.00 H new ATOM 0 HB VAL A 93 0.394 -6.149 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.331 -3.757 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.129 -4.786 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.282 -3.972 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.453 -4.501 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.108 -4.780 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.212 -6.097 6.255 1.00 0.00 H new ATOM 1416 N LYS A 94 -3.892 -6.641 3.976 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.243 -6.202 3.702 1.00 0.00 C ATOM 1418 C LYS A 94 -5.775 -5.380 4.858 1.00 0.00 C ATOM 1419 O LYS A 94 -5.448 -5.633 6.019 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.150 -7.396 3.449 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.584 -8.372 2.449 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.214 -9.743 2.615 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.830 -10.406 3.934 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.426 -11.764 4.047 1.00 0.00 N ATOM 0 H LYS A 94 -3.812 -7.384 4.670 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.227 -5.580 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.329 -7.914 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.117 -7.040 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.761 -8.006 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.504 -8.445 2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.299 -9.650 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.907 -10.383 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.745 -10.475 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.167 -9.788 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.148 -12.191 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.463 -11.693 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.085 -12.359 3.265 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.591 -4.400 4.532 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.125 -3.493 5.534 1.00 0.00 C ATOM 1440 C TRP A 95 -8.356 -4.103 6.203 1.00 0.00 C ATOM 1441 O TRP A 95 -9.324 -4.483 5.537 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.439 -2.125 4.897 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.969 -1.081 5.848 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.440 -0.697 7.055 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.126 -0.254 5.642 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.209 0.282 7.619 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.251 0.576 6.778 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.074 -0.138 4.613 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.282 1.497 6.919 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.093 0.783 4.752 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.196 1.587 5.893 1.00 0.00 C ATOM 0 H TRP A 95 -6.901 -4.208 3.579 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.376 -3.335 6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.531 -1.742 4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.168 -2.272 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.544 -1.109 7.496 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.035 0.724 8.522 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.007 -0.757 3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.363 2.118 7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.825 0.885 3.965 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.010 2.293 5.970 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.294 -4.198 7.525 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.351 -4.818 8.323 1.00 0.00 C ATOM 1464 C ASP A 96 -10.643 -4.021 8.235 1.00 0.00 C ATOM 1465 O ASP A 96 -10.763 -2.962 8.853 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.928 -4.930 9.791 1.00 0.00 C ATOM 1467 CG ASP A 96 -7.819 -5.940 10.001 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.116 -7.153 10.054 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -6.647 -5.529 10.117 1.00 0.00 O ATOM 0 H ASP A 96 -7.511 -3.848 8.077 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.521 -5.816 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.598 -3.954 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.791 -5.213 10.394 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.609 -4.534 7.469 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.934 -3.920 7.383 1.00 0.00 C ATOM 1476 C ARG A 97 -13.826 -4.762 6.473 1.00 0.00 C ATOM 1477 O ARG A 97 -15.049 -4.648 6.498 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.822 -2.462 6.862 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.927 -2.307 5.334 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.379 -2.256 4.832 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.477 -2.341 3.372 1.00 0.00 N ATOM 1482 CZ ARG A 97 -13.954 -1.461 2.524 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -13.271 -0.414 2.973 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.122 -1.631 1.222 1.00 0.00 N ATOM 0 H ARG A 97 -11.497 -5.373 6.900 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.382 -3.884 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.606 -1.865 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.869 -2.047 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.412 -1.396 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.412 -3.139 4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.942 -3.076 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.843 -1.329 5.170 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.984 -3.134 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.144 -0.280 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.873 0.256 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.650 -2.433 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.724 -0.960 0.565 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.196 -5.642 5.710 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.873 -6.345 4.619 1.00 0.00 C ATOM 1500 C ASP A 98 -13.177 -7.673 4.304 1.00 0.00 C ATOM 1501 O ASP A 98 -13.672 -8.469 3.506 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.852 -5.459 3.379 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.115 -5.568 2.553 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -15.266 -6.552 1.803 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.956 -4.651 2.659 1.00 0.00 O ATOM 0 H ASP A 98 -12.213 -5.890 5.823 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.898 -6.560 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.712 -4.422 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.996 -5.729 2.761 1.00 0.00 H new ATOM 1510 N MET A 99 -12.030 -7.908 4.943 1.00 0.00 N ATOM 1511 CA MET A 99 -11.251 -9.125 4.705 1.00 0.00 C ATOM 1512 C MET A 99 -12.032 -10.363 5.125 1.00 0.00 C ATOM 1513 CB MET A 99 -9.881 -9.102 5.420 1.00 0.00 C ATOM 1514 CG MET A 99 -9.772 -8.156 6.629 1.00 0.00 C ATOM 1515 SD MET A 99 -11.091 -8.357 7.836 1.00 0.00 S ATOM 1516 CE MET A 99 -10.684 -9.972 8.503 1.00 0.00 C ATOM 0 H MET A 99 -11.620 -7.273 5.628 1.00 0.00 H new ATOM 0 HA MET A 99 -11.062 -9.164 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.649 -10.114 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.118 -8.822 4.694 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.814 -8.322 7.122 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.773 -7.126 6.273 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.379 -10.220 9.305 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.757 -10.721 7.714 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.667 -9.958 8.896 1.00 0.00 H new TER 1525 MET A 99