USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 153:sc= 0.586 USER MOD Set 1.2: A 75 CYS SG : rot -64:sc= -0.605 USER MOD Set 1.3: A 98 CYS SG : rot -136:sc= 0.204 USER MOD Set 1.4: A 101 CYS SG : rot 151:sc= -1.34 USER MOD Set 2.1: A 57 CYS SG : rot 122:sc= 0.938 USER MOD Set 2.2: A 60 CYS SG : rot -62:sc= -0.621 USER MOD Set 2.3: A 62 GLN : amide:sc= 0.383 K(o=-1,f=-2) USER MOD Set 2.4: A 80 HIS :FLIP no HE2:sc= -1.58 F(o=-2.5!,f=-1) USER MOD Set 2.5: A 83 CYS SG : rot 59:sc= -0.111 USER MOD Set 3.1: A 25 CYS SG : rot 146:sc= 0.655 USER MOD Set 3.2: A 28 CYS SG : rot -53:sc= 0.334 USER MOD Set 3.3: A 51 CYS SG : rot -144:sc= -0.899 USER MOD Set 3.4: A 54 CYS SG : rot 119:sc= -2 USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 50 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Set 5.1: A 10 CYS SG : rot -171:sc= 0.0306 USER MOD Set 5.2: A 13 CYS SG : rot -122:sc= -2.48 USER MOD Set 5.3: A 15 SER OG : rot 98:sc= 0.0235 USER MOD Set 5.4: A 33 HIS : no HD1:sc= -1.24! C(o=-4.3!,f=-7.8!) USER MOD Set 5.5: A 36 CYS SG : rot 120:sc= -0.596 USER MOD Single : A 9 ASN : amide:sc= -2.55! C(o=-2.6!,f=-3.7!) USER MOD Single : A 22 GLN : amide:sc= -3.93! C(o=-3.9!,f=-4.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.18) USER MOD Single : A 31 HIS : no HE2:sc= -6.02! C(o=-6!,f=-9.4!) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00538 USER MOD Single : A 35 MET CE :methyl 132:sc= -0.29 (180deg=-1.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -8.99! (180deg=-9.06!) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= -1.18 (180deg=-1.21) USER MOD Single : A 58 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.067) USER MOD Single : A 59 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 10:sc= 0.893! USER MOD Single : A 67 SER OG : rot 180:sc=0.000512 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 155:sc= -1.56 (180deg=-3.38!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -1.69 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.49! C(o=-3.5!,f=-6.1!) USER MOD Single : A 88 MET CE :methyl 164:sc= -4.37! (180deg=-5.2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -22:sc= 0.224! USER MOD Single : A 94 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -16.952 4.064 0.535 1.00 0.00 N ATOM 67 CA ALA A 8 -15.693 3.330 0.509 1.00 0.00 C ATOM 68 C ALA A 8 -15.401 2.692 1.862 1.00 0.00 C ATOM 69 O ALA A 8 -14.829 3.326 2.748 1.00 0.00 O ATOM 70 CB ALA A 8 -14.553 4.252 0.100 1.00 0.00 C ATOM 0 HA ALA A 8 -15.782 2.531 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.619 3.691 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.750 4.656 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.473 5.071 0.815 1.00 0.00 H new ATOM 76 N ASN A 9 -15.798 1.433 2.016 1.00 0.00 N ATOM 77 CA ASN A 9 -15.580 0.709 3.263 1.00 0.00 C ATOM 78 C ASN A 9 -14.271 -0.074 3.215 1.00 0.00 C ATOM 79 O ASN A 9 -13.672 -0.239 2.152 1.00 0.00 O ATOM 80 CB ASN A 9 -16.747 -0.241 3.536 1.00 0.00 C ATOM 81 CG ASN A 9 -17.356 -0.790 2.261 1.00 0.00 C ATOM 82 OD1 ASN A 9 -16.644 -1.150 1.324 1.00 0.00 O ATOM 83 ND2 ASN A 9 -18.682 -0.857 2.220 1.00 0.00 N ATOM 0 H ASN A 9 -16.273 0.893 1.292 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.517 1.437 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.401 -1.068 4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.514 0.284 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.149 -1.218 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.233 -0.547 3.020 1.00 0.00 H new ATOM 90 N CYS A 10 -13.834 -0.556 4.374 1.00 0.00 N ATOM 91 CA CYS A 10 -12.597 -1.323 4.466 1.00 0.00 C ATOM 92 C CYS A 10 -12.665 -2.571 3.591 1.00 0.00 C ATOM 93 O CYS A 10 -13.549 -3.411 3.756 1.00 0.00 O ATOM 94 CB CYS A 10 -12.325 -1.719 5.918 1.00 0.00 C ATOM 95 SG CYS A 10 -10.687 -2.467 6.190 1.00 0.00 S ATOM 0 H CYS A 10 -14.318 -0.429 5.263 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.781 -0.694 4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.418 -0.834 6.548 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.092 -2.423 6.241 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.618 -2.931 7.402 1.00 0.00 H new ATOM 100 N ALA A 11 -11.724 -2.686 2.660 1.00 0.00 N ATOM 101 CA ALA A 11 -11.674 -3.832 1.760 1.00 0.00 C ATOM 102 C ALA A 11 -11.166 -5.075 2.482 1.00 0.00 C ATOM 103 O ALA A 11 -10.964 -6.123 1.868 1.00 0.00 O ATOM 104 CB ALA A 11 -10.796 -3.521 0.557 1.00 0.00 C ATOM 0 H ALA A 11 -10.985 -1.999 2.509 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.687 -4.035 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.768 -4.386 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.204 -2.665 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.786 -3.289 0.894 1.00 0.00 H new ATOM 110 N VAL A 12 -10.959 -4.951 3.789 1.00 0.00 N ATOM 111 CA VAL A 12 -10.474 -6.065 4.595 1.00 0.00 C ATOM 112 C VAL A 12 -11.534 -6.528 5.588 1.00 0.00 C ATOM 113 O VAL A 12 -11.709 -7.726 5.813 1.00 0.00 O ATOM 114 CB VAL A 12 -9.195 -5.685 5.366 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.691 -6.867 6.180 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.122 -5.192 4.406 1.00 0.00 C ATOM 0 H VAL A 12 -11.120 -4.090 4.312 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.246 -6.878 3.906 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.434 -4.875 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.787 -6.580 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.457 -7.170 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.467 -7.699 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.226 -4.928 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.884 -5.980 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.487 -4.315 3.872 1.00 0.00 H new ATOM 126 N CYS A 13 -12.239 -5.570 6.181 1.00 0.00 N ATOM 127 CA CYS A 13 -13.283 -5.878 7.151 1.00 0.00 C ATOM 128 C CYS A 13 -14.634 -5.344 6.684 1.00 0.00 C ATOM 129 O CYS A 13 -15.684 -5.813 7.124 1.00 0.00 O ATOM 130 CB CYS A 13 -12.932 -5.283 8.516 1.00 0.00 C ATOM 131 SG CYS A 13 -13.176 -3.481 8.627 1.00 0.00 S ATOM 0 H CYS A 13 -12.106 -4.574 6.007 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.352 -6.962 7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.540 -5.769 9.279 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.891 -5.513 8.744 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.055 -2.911 8.955 1.00 0.00 H new ATOM 136 N ASP A 14 -14.599 -4.362 5.790 1.00 0.00 N ATOM 137 CA ASP A 14 -15.820 -3.765 5.262 1.00 0.00 C ATOM 138 C ASP A 14 -16.623 -3.096 6.373 1.00 0.00 C ATOM 139 O ASP A 14 -17.824 -3.329 6.510 1.00 0.00 O ATOM 140 CB ASP A 14 -16.673 -4.827 4.567 1.00 0.00 C ATOM 141 CG ASP A 14 -17.911 -4.241 3.917 1.00 0.00 C ATOM 142 OD1 ASP A 14 -17.899 -3.034 3.599 1.00 0.00 O ATOM 143 OD2 ASP A 14 -18.893 -4.990 3.727 1.00 0.00 O ATOM 0 H ASP A 14 -13.738 -3.963 5.416 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.538 -3.004 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.073 -5.332 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.971 -5.582 5.294 1.00 0.00 H new ATOM 148 N SER A 15 -15.951 -2.266 7.165 1.00 0.00 N ATOM 149 CA SER A 15 -16.601 -1.568 8.267 1.00 0.00 C ATOM 150 C SER A 15 -16.313 -0.071 8.207 1.00 0.00 C ATOM 151 O SER A 15 -15.169 0.372 8.314 1.00 0.00 O ATOM 152 CB SER A 15 -16.130 -2.136 9.607 1.00 0.00 C ATOM 153 OG SER A 15 -16.468 -3.507 9.727 1.00 0.00 O ATOM 0 H SER A 15 -14.957 -2.061 7.064 1.00 0.00 H new ATOM 0 HA SER A 15 -17.677 -1.717 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.051 -2.015 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.583 -1.574 10.423 1.00 0.00 H new ATOM 0 HG SER A 15 -15.694 -4.057 9.486 1.00 0.00 H new ATOM 159 N PRO A 16 -17.375 0.729 8.032 1.00 0.00 N ATOM 160 CA PRO A 16 -17.263 2.189 7.954 1.00 0.00 C ATOM 161 C PRO A 16 -16.891 2.814 9.294 1.00 0.00 C ATOM 162 O PRO A 16 -16.625 4.012 9.378 1.00 0.00 O ATOM 163 CB PRO A 16 -18.666 2.630 7.529 1.00 0.00 C ATOM 164 CG PRO A 16 -19.565 1.540 8.002 1.00 0.00 C ATOM 165 CD PRO A 16 -18.768 0.270 7.896 1.00 0.00 C ATOM 0 HA PRO A 16 -16.477 2.502 7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.933 3.587 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.731 2.756 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.884 1.716 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.467 1.486 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.036 -0.439 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.935 -0.231 6.942 1.00 0.00 H new ATOM 173 N GLY A 17 -16.874 1.993 10.340 1.00 0.00 N ATOM 174 CA GLY A 17 -16.532 2.485 11.662 1.00 0.00 C ATOM 175 C GLY A 17 -15.608 3.685 11.614 1.00 0.00 C ATOM 176 O GLY A 17 -16.064 4.827 11.558 1.00 0.00 O ATOM 0 H GLY A 17 -17.091 0.997 10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.445 2.755 12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.056 1.687 12.231 1.00 0.00 H new ATOM 180 N ASP A 18 -14.305 3.427 11.638 1.00 0.00 N ATOM 181 CA ASP A 18 -13.313 4.496 11.597 1.00 0.00 C ATOM 182 C ASP A 18 -12.907 4.806 10.159 1.00 0.00 C ATOM 183 O ASP A 18 -12.510 3.913 9.409 1.00 0.00 O ATOM 184 CB ASP A 18 -12.081 4.108 12.416 1.00 0.00 C ATOM 185 CG ASP A 18 -12.413 3.841 13.870 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.169 4.639 14.462 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.916 2.834 14.418 1.00 0.00 O ATOM 0 H ASP A 18 -13.911 2.487 11.686 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.760 5.391 12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.625 3.219 11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.342 4.907 12.356 1.00 0.00 H new ATOM 192 N LEU A 19 -13.010 6.075 9.782 1.00 0.00 N ATOM 193 CA LEU A 19 -12.654 6.503 8.433 1.00 0.00 C ATOM 194 C LEU A 19 -11.215 7.004 8.383 1.00 0.00 C ATOM 195 O LEU A 19 -10.470 6.695 7.451 1.00 0.00 O ATOM 196 CB LEU A 19 -13.606 7.603 7.958 1.00 0.00 C ATOM 197 CG LEU A 19 -15.052 7.176 7.705 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.143 6.312 6.457 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.608 6.433 8.912 1.00 0.00 C ATOM 0 H LEU A 19 -13.337 6.826 10.390 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.743 5.643 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.608 8.400 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.207 8.028 7.037 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.652 8.072 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.180 6.018 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.786 6.877 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.529 5.421 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.638 6.137 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.005 5.545 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.579 7.085 9.785 1.00 0.00 H new ATOM 211 N LEU A 20 -10.827 7.778 9.391 1.00 0.00 N ATOM 212 CA LEU A 20 -9.475 8.321 9.463 1.00 0.00 C ATOM 213 C LEU A 20 -8.449 7.204 9.626 1.00 0.00 C ATOM 214 O LEU A 20 -7.497 7.105 8.851 1.00 0.00 O ATOM 215 CB LEU A 20 -9.362 9.307 10.627 1.00 0.00 C ATOM 216 CG LEU A 20 -9.684 10.766 10.304 1.00 0.00 C ATOM 217 CD1 LEU A 20 -11.180 10.951 10.104 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.174 11.682 11.408 1.00 0.00 C ATOM 0 H LEU A 20 -11.430 8.044 10.170 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.269 8.845 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.029 8.976 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.347 9.258 11.021 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.179 11.033 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.390 11.996 9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.517 10.324 9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.707 10.666 11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.412 12.717 11.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.650 11.415 12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.094 11.571 11.503 1.00 0.00 H new ATOM 230 N ASP A 21 -8.649 6.366 10.637 1.00 0.00 N ATOM 231 CA ASP A 21 -7.743 5.254 10.899 1.00 0.00 C ATOM 232 C ASP A 21 -7.253 4.633 9.595 1.00 0.00 C ATOM 233 O ASP A 21 -6.050 4.474 9.386 1.00 0.00 O ATOM 234 CB ASP A 21 -8.437 4.193 11.754 1.00 0.00 C ATOM 235 CG ASP A 21 -8.565 4.612 13.206 1.00 0.00 C ATOM 236 OD1 ASP A 21 -9.359 5.533 13.489 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.870 4.019 14.058 1.00 0.00 O ATOM 0 H ASP A 21 -9.431 6.436 11.289 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.881 5.641 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.429 3.995 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.876 3.260 11.696 1.00 0.00 H new ATOM 242 N GLN A 22 -8.192 4.283 8.722 1.00 0.00 N ATOM 243 CA GLN A 22 -7.855 3.678 7.439 1.00 0.00 C ATOM 244 C GLN A 22 -7.350 4.729 6.457 1.00 0.00 C ATOM 245 O GLN A 22 -7.947 5.796 6.312 1.00 0.00 O ATOM 246 CB GLN A 22 -9.072 2.960 6.855 1.00 0.00 C ATOM 247 CG GLN A 22 -10.300 3.847 6.728 1.00 0.00 C ATOM 248 CD GLN A 22 -11.517 3.093 6.229 1.00 0.00 C ATOM 249 OE1 GLN A 22 -12.640 3.594 6.292 1.00 0.00 O ATOM 250 NE2 GLN A 22 -11.299 1.883 5.729 1.00 0.00 N ATOM 0 H GLN A 22 -9.192 4.408 8.880 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.059 2.952 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.814 2.568 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.316 2.105 7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.525 4.290 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.081 4.668 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.351 1.508 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.079 1.328 5.377 1.00 0.00 H new ATOM 259 N PHE A 23 -6.246 4.422 5.784 1.00 0.00 N ATOM 260 CA PHE A 23 -5.660 5.341 4.816 1.00 0.00 C ATOM 261 C PHE A 23 -6.562 5.494 3.595 1.00 0.00 C ATOM 262 O PHE A 23 -7.617 4.865 3.506 1.00 0.00 O ATOM 263 CB PHE A 23 -4.277 4.847 4.384 1.00 0.00 C ATOM 264 CG PHE A 23 -3.434 4.353 5.524 1.00 0.00 C ATOM 265 CD1 PHE A 23 -2.605 5.220 6.217 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.470 3.020 5.903 1.00 0.00 C ATOM 267 CE1 PHE A 23 -1.828 4.768 7.267 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.696 2.563 6.952 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.873 3.438 7.634 1.00 0.00 C ATOM 0 H PHE A 23 -5.739 3.543 5.891 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.557 6.315 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.398 4.044 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.752 5.658 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.565 6.261 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.110 2.331 5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.187 5.454 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.734 1.522 7.239 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.266 3.082 8.453 1.00 0.00 H new ATOM 279 N PHE A 24 -6.140 6.334 2.656 1.00 0.00 N ATOM 280 CA PHE A 24 -6.910 6.572 1.441 1.00 0.00 C ATOM 281 C PHE A 24 -6.014 6.504 0.207 1.00 0.00 C ATOM 282 O PHE A 24 -5.017 7.220 0.110 1.00 0.00 O ATOM 283 CB PHE A 24 -7.602 7.935 1.508 1.00 0.00 C ATOM 284 CG PHE A 24 -7.985 8.480 0.162 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.215 8.174 -0.399 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.116 9.297 -0.543 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.571 8.674 -1.638 1.00 0.00 C ATOM 288 CE2 PHE A 24 -7.467 9.800 -1.781 1.00 0.00 C ATOM 289 CZ PHE A 24 -8.695 9.487 -2.330 1.00 0.00 C ATOM 0 H PHE A 24 -5.269 6.861 2.713 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.667 5.792 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.497 7.849 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.940 8.645 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.903 7.538 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.153 9.543 -0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.533 8.429 -2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.781 10.438 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.970 9.877 -3.299 1.00 0.00 H new ATOM 299 N CYS A 25 -6.376 5.638 -0.733 1.00 0.00 N ATOM 300 CA CYS A 25 -5.606 5.474 -1.960 1.00 0.00 C ATOM 301 C CYS A 25 -6.009 6.516 -2.998 1.00 0.00 C ATOM 302 O CYS A 25 -7.126 7.035 -2.974 1.00 0.00 O ATOM 303 CB CYS A 25 -5.806 4.068 -2.528 1.00 0.00 C ATOM 304 SG CYS A 25 -4.697 3.661 -3.915 1.00 0.00 S ATOM 0 H CYS A 25 -7.199 5.038 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.552 5.615 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.655 3.341 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.839 3.966 -2.861 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.393 2.398 -3.871 1.00 0.00 H new ATOM 309 N THR A 26 -5.092 6.820 -3.912 1.00 0.00 N ATOM 310 CA THR A 26 -5.351 7.800 -4.959 1.00 0.00 C ATOM 311 C THR A 26 -5.607 7.120 -6.299 1.00 0.00 C ATOM 312 O THR A 26 -6.375 7.617 -7.123 1.00 0.00 O ATOM 313 CB THR A 26 -4.174 8.782 -5.111 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.991 8.074 -5.499 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.921 9.530 -3.811 1.00 0.00 C ATOM 0 H THR A 26 -4.163 6.401 -3.948 1.00 0.00 H new ATOM 0 HA THR A 26 -6.241 8.353 -4.661 1.00 0.00 H new ATOM 0 HB THR A 26 -4.432 9.506 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.248 8.706 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.085 10.217 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.813 10.092 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.683 8.817 -3.021 1.00 0.00 H new ATOM 323 N THR A 27 -4.960 5.978 -6.510 1.00 0.00 N ATOM 324 CA THR A 27 -5.117 5.229 -7.751 1.00 0.00 C ATOM 325 C THR A 27 -6.508 4.612 -7.848 1.00 0.00 C ATOM 326 O THR A 27 -7.311 4.999 -8.697 1.00 0.00 O ATOM 327 CB THR A 27 -4.063 4.112 -7.870 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.747 4.674 -7.836 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.251 3.326 -9.159 1.00 0.00 C ATOM 0 H THR A 27 -4.322 5.552 -5.838 1.00 0.00 H new ATOM 0 HA THR A 27 -4.979 5.937 -8.568 1.00 0.00 H new ATOM 0 HB THR A 27 -4.189 3.433 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.083 3.957 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.495 2.543 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.243 2.875 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.149 3.997 -10.012 1.00 0.00 H new ATOM 337 N CYS A 28 -6.787 3.652 -6.973 1.00 0.00 N ATOM 338 CA CYS A 28 -8.081 2.981 -6.960 1.00 0.00 C ATOM 339 C CYS A 28 -9.099 3.780 -6.151 1.00 0.00 C ATOM 340 O CYS A 28 -10.248 3.938 -6.563 1.00 0.00 O ATOM 341 CB CYS A 28 -7.943 1.573 -6.377 1.00 0.00 C ATOM 342 SG CYS A 28 -7.585 1.539 -4.591 1.00 0.00 S ATOM 0 H CYS A 28 -6.134 3.321 -6.263 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.435 2.908 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.865 1.023 -6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.147 1.049 -6.906 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.542 2.275 -4.343 1.00 0.00 H new ATOM 347 N GLY A 29 -8.668 4.284 -4.999 1.00 0.00 N ATOM 348 CA GLY A 29 -9.554 5.060 -4.151 1.00 0.00 C ATOM 349 C GLY A 29 -10.238 4.213 -3.097 1.00 0.00 C ATOM 350 O GLY A 29 -11.397 4.450 -2.758 1.00 0.00 O ATOM 0 H GLY A 29 -7.721 4.169 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.984 5.851 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.309 5.546 -4.769 1.00 0.00 H new ATOM 354 N GLN A 30 -9.520 3.222 -2.578 1.00 0.00 N ATOM 355 CA GLN A 30 -10.066 2.335 -1.558 1.00 0.00 C ATOM 356 C GLN A 30 -9.533 2.701 -0.177 1.00 0.00 C ATOM 357 O GLN A 30 -8.559 3.444 -0.053 1.00 0.00 O ATOM 358 CB GLN A 30 -9.724 0.880 -1.881 1.00 0.00 C ATOM 359 CG GLN A 30 -10.587 0.282 -2.980 1.00 0.00 C ATOM 360 CD GLN A 30 -12.051 0.198 -2.593 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.913 0.779 -3.253 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.339 -0.527 -1.519 1.00 0.00 N ATOM 0 H GLN A 30 -8.559 3.013 -2.847 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.150 2.453 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.677 0.819 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.834 0.280 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.488 0.885 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.221 -0.716 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.592 -0.991 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.307 -0.620 -1.211 1.00 0.00 H new ATOM 371 N HIS A 31 -10.178 2.175 0.859 1.00 0.00 N ATOM 372 CA HIS A 31 -9.768 2.446 2.233 1.00 0.00 C ATOM 373 C HIS A 31 -9.320 1.164 2.929 1.00 0.00 C ATOM 374 O HIS A 31 -9.805 0.076 2.619 1.00 0.00 O ATOM 375 CB HIS A 31 -10.916 3.088 3.012 1.00 0.00 C ATOM 376 CG HIS A 31 -11.469 4.317 2.359 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.749 4.779 2.586 1.00 0.00 N ATOM 378 CD2 HIS A 31 -10.909 5.183 1.483 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.952 5.874 1.876 1.00 0.00 C ATOM 380 NE2 HIS A 31 -11.850 6.141 1.198 1.00 0.00 N ATOM 0 H HIS A 31 -10.986 1.559 0.774 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.926 3.137 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.717 2.358 3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.567 3.344 4.012 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.432 4.343 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.907 5.130 1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.864 6.453 1.853 1.00 0.00 H new ATOM 389 N TYR A 32 -8.391 1.302 3.869 1.00 0.00 N ATOM 390 CA TYR A 32 -7.875 0.155 4.606 1.00 0.00 C ATOM 391 C TYR A 32 -7.414 0.567 6.001 1.00 0.00 C ATOM 392 O TYR A 32 -6.538 1.419 6.152 1.00 0.00 O ATOM 393 CB TYR A 32 -6.716 -0.489 3.843 1.00 0.00 C ATOM 394 CG TYR A 32 -7.115 -1.051 2.497 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.211 -0.230 1.380 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.395 -2.403 2.343 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.576 -0.740 0.149 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.759 -2.921 1.115 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.849 -2.086 0.022 1.00 0.00 C ATOM 400 OH TYR A 32 -8.211 -2.597 -1.203 1.00 0.00 O ATOM 0 H TYR A 32 -7.980 2.196 4.138 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.681 -0.571 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.930 0.253 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.292 -1.289 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.997 0.824 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.327 -3.060 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.647 -0.088 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.972 -3.975 1.012 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.368 -3.561 -1.122 1.00 0.00 H new ATOM 410 N HIS A 33 -8.010 -0.046 7.019 1.00 0.00 N ATOM 411 CA HIS A 33 -7.660 0.255 8.403 1.00 0.00 C ATOM 412 C HIS A 33 -6.214 -0.133 8.694 1.00 0.00 C ATOM 413 O HIS A 33 -5.736 -1.173 8.244 1.00 0.00 O ATOM 414 CB HIS A 33 -8.600 -0.480 9.359 1.00 0.00 C ATOM 415 CG HIS A 33 -9.993 0.069 9.369 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.117 -0.730 9.342 1.00 0.00 N ATOM 417 CD2 HIS A 33 -10.442 1.345 9.406 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.196 0.031 9.359 1.00 0.00 C ATOM 419 NE2 HIS A 33 -11.814 1.295 9.398 1.00 0.00 N ATOM 0 H HIS A 33 -8.737 -0.753 6.912 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.767 1.329 8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.636 -1.534 9.082 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.191 -0.429 10.368 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.834 2.237 9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.217 -0.320 9.344 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.437 2.102 9.419 1.00 0.00 H new ATOM 427 N GLY A 34 -5.520 0.713 9.451 1.00 0.00 N ATOM 428 CA GLY A 34 -4.135 0.442 9.789 1.00 0.00 C ATOM 429 C GLY A 34 -3.971 -0.844 10.576 1.00 0.00 C ATOM 430 O GLY A 34 -2.899 -1.448 10.573 1.00 0.00 O ATOM 0 H GLY A 34 -5.893 1.581 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.546 0.382 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.737 1.273 10.370 1.00 0.00 H new ATOM 434 N MET A 35 -5.036 -1.262 11.252 1.00 0.00 N ATOM 435 CA MET A 35 -5.005 -2.484 12.047 1.00 0.00 C ATOM 436 C MET A 35 -5.371 -3.696 11.196 1.00 0.00 C ATOM 437 O MET A 35 -4.705 -4.730 11.252 1.00 0.00 O ATOM 438 CB MET A 35 -5.964 -2.370 13.234 1.00 0.00 C ATOM 439 CG MET A 35 -6.025 -3.626 14.088 1.00 0.00 C ATOM 440 SD MET A 35 -7.533 -3.724 15.071 1.00 0.00 S ATOM 441 CE MET A 35 -8.771 -3.839 13.782 1.00 0.00 C ATOM 0 H MET A 35 -5.931 -0.773 11.265 1.00 0.00 H new ATOM 0 HA MET A 35 -3.990 -2.619 12.421 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.658 -1.530 13.858 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.964 -2.144 12.863 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.958 -4.503 13.444 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.161 -3.652 14.752 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.459 -4.653 14.010 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.324 -2.902 13.724 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.284 -4.032 12.826 1.00 0.00 H new ATOM 451 N CYS A 36 -6.434 -3.561 10.410 1.00 0.00 N ATOM 452 CA CYS A 36 -6.889 -4.645 9.548 1.00 0.00 C ATOM 453 C CYS A 36 -5.750 -5.161 8.674 1.00 0.00 C ATOM 454 O CYS A 36 -5.708 -6.340 8.321 1.00 0.00 O ATOM 455 CB CYS A 36 -8.048 -4.172 8.668 1.00 0.00 C ATOM 456 SG CYS A 36 -9.661 -4.142 9.515 1.00 0.00 S ATOM 0 H CYS A 36 -6.996 -2.712 10.352 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.233 -5.461 10.184 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.825 -3.171 8.299 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.119 -4.824 7.798 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.133 -2.931 9.507 1.00 0.00 H new ATOM 461 N LEU A 37 -4.828 -4.269 8.327 1.00 0.00 N ATOM 462 CA LEU A 37 -3.687 -4.633 7.494 1.00 0.00 C ATOM 463 C LEU A 37 -2.434 -4.831 8.342 1.00 0.00 C ATOM 464 O LEU A 37 -1.359 -5.124 7.820 1.00 0.00 O ATOM 465 CB LEU A 37 -3.437 -3.555 6.438 1.00 0.00 C ATOM 466 CG LEU A 37 -4.179 -3.729 5.113 1.00 0.00 C ATOM 467 CD1 LEU A 37 -3.912 -2.548 4.193 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.773 -5.033 4.441 1.00 0.00 C ATOM 0 H LEU A 37 -4.848 -3.289 8.609 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.918 -5.574 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.712 -2.589 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.368 -3.519 6.231 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.248 -3.768 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.448 -2.689 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.253 -1.630 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.843 -2.477 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.311 -5.140 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.700 -5.024 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.016 -5.870 5.095 1.00 0.00 H new ATOM 480 N ASP A 38 -2.582 -4.670 9.653 1.00 0.00 N ATOM 481 CA ASP A 38 -1.464 -4.834 10.574 1.00 0.00 C ATOM 482 C ASP A 38 -0.362 -3.822 10.276 1.00 0.00 C ATOM 483 O ASP A 38 0.820 -4.099 10.482 1.00 0.00 O ATOM 484 CB ASP A 38 -0.906 -6.255 10.485 1.00 0.00 C ATOM 485 CG ASP A 38 -1.925 -7.303 10.887 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.762 -7.011 11.768 1.00 0.00 O ATOM 487 OD2 ASP A 38 -1.887 -8.415 10.322 1.00 0.00 O ATOM 0 H ASP A 38 -3.465 -4.426 10.101 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.830 -4.659 11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.573 -6.448 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.030 -6.339 11.128 1.00 0.00 H new ATOM 492 N ILE A 39 -0.757 -2.650 9.790 1.00 0.00 N ATOM 493 CA ILE A 39 0.197 -1.598 9.464 1.00 0.00 C ATOM 494 C ILE A 39 0.126 -0.459 10.475 1.00 0.00 C ATOM 495 O ILE A 39 -0.958 -0.035 10.873 1.00 0.00 O ATOM 496 CB ILE A 39 -0.049 -1.032 8.053 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.054 -2.162 7.021 1.00 0.00 C ATOM 498 CG2 ILE A 39 1.010 0.004 7.706 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.567 -1.737 5.663 1.00 0.00 C ATOM 0 H ILE A 39 -1.731 -2.405 9.613 1.00 0.00 H new ATOM 0 HA ILE A 39 1.188 -2.050 9.498 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.024 -0.546 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.959 -2.549 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.670 -2.981 7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.823 0.395 6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.971 0.820 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.996 -0.460 7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.542 -2.588 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.592 -1.377 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.063 -0.939 5.270 1.00 0.00 H new ATOM 511 N ALA A 40 1.290 0.033 10.887 1.00 0.00 N ATOM 512 CA ALA A 40 1.361 1.126 11.849 1.00 0.00 C ATOM 513 C ALA A 40 1.136 2.472 11.168 1.00 0.00 C ATOM 514 O ALA A 40 2.034 3.008 10.518 1.00 0.00 O ATOM 515 CB ALA A 40 2.702 1.112 12.566 1.00 0.00 C ATOM 0 H ALA A 40 2.197 -0.308 10.569 1.00 0.00 H new ATOM 0 HA ALA A 40 0.568 0.983 12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.741 1.934 13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.823 0.166 13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.505 1.227 11.838 1.00 0.00 H new ATOM 521 N VAL A 41 -0.068 3.014 11.320 1.00 0.00 N ATOM 522 CA VAL A 41 -0.410 4.298 10.720 1.00 0.00 C ATOM 523 C VAL A 41 0.475 5.413 11.267 1.00 0.00 C ATOM 524 O VAL A 41 0.330 5.830 12.416 1.00 0.00 O ATOM 525 CB VAL A 41 -1.886 4.659 10.972 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.193 4.645 12.461 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.213 6.015 10.364 1.00 0.00 C ATOM 0 H VAL A 41 -0.823 2.584 11.854 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.245 4.201 9.647 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.513 3.909 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.240 4.902 12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.999 3.651 12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.560 5.372 12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.260 6.255 10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.580 6.778 10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.034 5.984 9.289 1.00 0.00 H new ATOM 537 N THR A 42 1.394 5.893 10.434 1.00 0.00 N ATOM 538 CA THR A 42 2.303 6.960 10.833 1.00 0.00 C ATOM 539 C THR A 42 1.916 8.284 10.185 1.00 0.00 C ATOM 540 O THR A 42 1.235 8.325 9.160 1.00 0.00 O ATOM 541 CB THR A 42 3.760 6.625 10.460 1.00 0.00 C ATOM 542 OG1 THR A 42 3.832 6.214 9.090 1.00 0.00 O ATOM 543 CG2 THR A 42 4.309 5.524 11.355 1.00 0.00 C ATOM 0 H THR A 42 1.528 5.559 9.479 1.00 0.00 H new ATOM 0 HA THR A 42 2.225 7.053 11.916 1.00 0.00 H new ATOM 0 HB THR A 42 4.364 7.521 10.603 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.761 6.004 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.339 5.305 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.280 5.851 12.394 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.702 4.626 11.240 1.00 0.00 H new ATOM 551 N PRO A 43 2.359 9.394 10.794 1.00 0.00 N ATOM 552 CA PRO A 43 2.072 10.741 10.292 1.00 0.00 C ATOM 553 C PRO A 43 2.806 11.043 8.990 1.00 0.00 C ATOM 554 O PRO A 43 2.618 12.103 8.391 1.00 0.00 O ATOM 555 CB PRO A 43 2.575 11.653 11.414 1.00 0.00 C ATOM 556 CG PRO A 43 3.620 10.853 12.111 1.00 0.00 C ATOM 557 CD PRO A 43 3.176 9.419 12.019 1.00 0.00 C ATOM 0 HA PRO A 43 1.015 10.872 10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.986 12.581 11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.768 11.928 12.093 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.594 10.990 11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.720 11.164 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.025 8.739 11.950 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.598 9.120 12.894 1.00 0.00 H new ATOM 565 N LEU A 44 3.643 10.107 8.557 1.00 0.00 N ATOM 566 CA LEU A 44 4.406 10.273 7.325 1.00 0.00 C ATOM 567 C LEU A 44 3.832 9.407 6.208 1.00 0.00 C ATOM 568 O LEU A 44 4.071 9.659 5.027 1.00 0.00 O ATOM 569 CB LEU A 44 5.875 9.916 7.559 1.00 0.00 C ATOM 570 CG LEU A 44 6.720 9.694 6.304 1.00 0.00 C ATOM 571 CD1 LEU A 44 6.715 10.939 5.430 1.00 0.00 C ATOM 572 CD2 LEU A 44 8.143 9.310 6.681 1.00 0.00 C ATOM 0 H LEU A 44 3.811 9.225 9.041 1.00 0.00 H new ATOM 0 HA LEU A 44 4.336 11.318 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.333 10.713 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.916 9.011 8.165 1.00 0.00 H new ATOM 0 HG LEU A 44 6.282 8.874 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.321 10.762 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.692 11.170 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.128 11.778 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.730 9.156 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.591 10.109 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.129 8.390 7.265 1.00 0.00 H new ATOM 584 N LYS A 45 3.072 8.386 6.589 1.00 0.00 N ATOM 585 CA LYS A 45 2.461 7.483 5.621 1.00 0.00 C ATOM 586 C LYS A 45 1.212 8.108 5.008 1.00 0.00 C ATOM 587 O LYS A 45 1.082 8.186 3.786 1.00 0.00 O ATOM 588 CB LYS A 45 2.103 6.153 6.288 1.00 0.00 C ATOM 589 CG LYS A 45 2.339 4.944 5.400 1.00 0.00 C ATOM 590 CD LYS A 45 2.366 3.656 6.207 1.00 0.00 C ATOM 591 CE LYS A 45 3.741 3.403 6.806 1.00 0.00 C ATOM 592 NZ LYS A 45 4.625 2.657 5.869 1.00 0.00 N ATOM 0 H LYS A 45 2.864 8.163 7.562 1.00 0.00 H new ATOM 0 HA LYS A 45 3.183 7.301 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.690 6.044 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.055 6.176 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.553 4.886 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.283 5.061 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.625 3.709 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.087 2.819 5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.206 4.355 7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.635 2.839 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.594 2.637 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.275 1.684 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.625 3.129 4.942 1.00 0.00 H new ATOM 606 N ARG A 46 0.298 8.554 5.863 1.00 0.00 N ATOM 607 CA ARG A 46 -0.940 9.173 5.404 1.00 0.00 C ATOM 608 C ARG A 46 -0.704 9.985 4.135 1.00 0.00 C ATOM 609 O ARG A 46 -1.394 9.804 3.132 1.00 0.00 O ATOM 610 CB ARG A 46 -1.522 10.072 6.497 1.00 0.00 C ATOM 611 CG ARG A 46 -1.886 9.325 7.770 1.00 0.00 C ATOM 612 CD ARG A 46 -2.367 10.276 8.855 1.00 0.00 C ATOM 613 NE ARG A 46 -3.677 10.842 8.545 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.301 11.720 9.323 1.00 0.00 C ATOM 615 NH1 ARG A 46 -3.737 12.129 10.451 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.491 12.190 8.973 1.00 0.00 N ATOM 0 H ARG A 46 0.391 8.498 6.877 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.652 8.379 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.799 10.852 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.411 10.570 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.665 8.594 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.019 8.771 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.417 9.746 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.644 11.082 8.977 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.138 10.547 7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.822 11.770 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.218 12.803 11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.928 11.877 8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.969 12.864 9.571 1.00 0.00 H new ATOM 630 N ALA A 47 0.275 10.883 4.186 1.00 0.00 N ATOM 631 CA ALA A 47 0.604 11.722 3.041 1.00 0.00 C ATOM 632 C ALA A 47 0.934 10.875 1.816 1.00 0.00 C ATOM 633 O ALA A 47 1.822 10.025 1.859 1.00 0.00 O ATOM 634 CB ALA A 47 1.767 12.643 3.377 1.00 0.00 C ATOM 0 H ALA A 47 0.854 11.048 5.009 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.270 12.330 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.001 13.264 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.495 13.281 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.639 12.046 3.642 1.00 0.00 H new ATOM 640 N GLY A 48 0.213 11.113 0.725 1.00 0.00 N ATOM 641 CA GLY A 48 0.444 10.363 -0.495 1.00 0.00 C ATOM 642 C GLY A 48 0.584 8.874 -0.244 1.00 0.00 C ATOM 643 O GLY A 48 1.622 8.283 -0.540 1.00 0.00 O ATOM 0 H GLY A 48 -0.527 11.812 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.381 10.536 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.348 10.733 -0.979 1.00 0.00 H new ATOM 647 N TRP A 49 -0.462 8.268 0.306 1.00 0.00 N ATOM 648 CA TRP A 49 -0.450 6.840 0.599 1.00 0.00 C ATOM 649 C TRP A 49 -0.994 6.038 -0.579 1.00 0.00 C ATOM 650 O TRP A 49 -1.945 6.456 -1.238 1.00 0.00 O ATOM 651 CB TRP A 49 -1.275 6.549 1.854 1.00 0.00 C ATOM 652 CG TRP A 49 -1.395 5.087 2.160 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.434 4.280 2.699 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.542 4.257 1.942 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.914 2.999 2.830 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.205 2.959 2.374 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.821 4.485 1.427 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.101 1.896 2.304 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.709 3.429 1.358 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.347 2.148 1.795 1.00 0.00 C ATOM 0 H TRP A 49 -1.329 8.743 0.558 1.00 0.00 H new ATOM 0 HA TRP A 49 0.583 6.539 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.819 7.055 2.705 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.273 6.970 1.730 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.558 4.601 2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.393 2.207 3.206 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.110 5.469 1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.823 0.908 2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.699 3.594 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.065 1.344 1.729 1.00 0.00 H new ATOM 671 N GLN A 50 -0.384 4.885 -0.836 1.00 0.00 N ATOM 672 CA GLN A 50 -0.808 4.026 -1.935 1.00 0.00 C ATOM 673 C GLN A 50 -1.103 2.614 -1.439 1.00 0.00 C ATOM 674 O GLN A 50 -0.192 1.870 -1.073 1.00 0.00 O ATOM 675 CB GLN A 50 0.268 3.983 -3.021 1.00 0.00 C ATOM 676 CG GLN A 50 0.158 5.115 -4.030 1.00 0.00 C ATOM 677 CD GLN A 50 0.660 4.721 -5.406 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.706 5.189 -5.855 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.086 3.856 -6.083 1.00 0.00 N ATOM 0 H GLN A 50 0.405 4.525 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.723 4.442 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.250 4.021 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.204 3.031 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.883 5.431 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.727 5.973 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.946 3.493 -5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.201 3.554 -7.014 1.00 0.00 H new ATOM 688 N CYS A 51 -2.381 2.250 -1.429 1.00 0.00 N ATOM 689 CA CYS A 51 -2.797 0.928 -0.978 1.00 0.00 C ATOM 690 C CYS A 51 -1.881 -0.153 -1.544 1.00 0.00 C ATOM 691 O CYS A 51 -1.227 0.028 -2.571 1.00 0.00 O ATOM 692 CB CYS A 51 -4.244 0.656 -1.395 1.00 0.00 C ATOM 693 SG CYS A 51 -4.416 -0.039 -3.070 1.00 0.00 S ATOM 0 H CYS A 51 -3.147 2.853 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.729 0.904 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.694 -0.032 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.808 1.587 -1.340 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.486 0.440 -3.631 1.00 0.00 H new ATOM 698 N PRO A 52 -1.832 -1.305 -0.859 1.00 0.00 N ATOM 699 CA PRO A 52 -1.000 -2.439 -1.274 1.00 0.00 C ATOM 700 C PRO A 52 -1.519 -3.103 -2.545 1.00 0.00 C ATOM 701 O PRO A 52 -0.838 -3.935 -3.143 1.00 0.00 O ATOM 702 CB PRO A 52 -1.097 -3.403 -0.089 1.00 0.00 C ATOM 703 CG PRO A 52 -2.393 -3.069 0.565 1.00 0.00 C ATOM 704 CD PRO A 52 -2.585 -1.590 0.374 1.00 0.00 C ATOM 0 HA PRO A 52 0.019 -2.133 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.077 -4.441 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.261 -3.271 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.213 -3.630 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.373 -3.326 1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.639 -1.332 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.200 -1.022 1.221 1.00 0.00 H new ATOM 712 N GLU A 53 -2.728 -2.729 -2.952 1.00 0.00 N ATOM 713 CA GLU A 53 -3.336 -3.290 -4.153 1.00 0.00 C ATOM 714 C GLU A 53 -2.970 -2.466 -5.384 1.00 0.00 C ATOM 715 O GLU A 53 -3.152 -2.909 -6.518 1.00 0.00 O ATOM 716 CB GLU A 53 -4.858 -3.350 -4.000 1.00 0.00 C ATOM 717 CG GLU A 53 -5.316 -4.119 -2.773 1.00 0.00 C ATOM 718 CD GLU A 53 -5.523 -5.595 -3.053 1.00 0.00 C ATOM 719 OE1 GLU A 53 -4.545 -6.364 -2.934 1.00 0.00 O ATOM 720 OE2 GLU A 53 -6.660 -5.982 -3.393 1.00 0.00 O ATOM 0 H GLU A 53 -3.305 -2.041 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.951 -4.301 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.250 -2.334 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.286 -3.813 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.577 -4.004 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.248 -3.689 -2.406 1.00 0.00 H new ATOM 727 N CYS A 54 -2.454 -1.264 -5.152 1.00 0.00 N ATOM 728 CA CYS A 54 -2.062 -0.376 -6.241 1.00 0.00 C ATOM 729 C CYS A 54 -0.557 -0.129 -6.227 1.00 0.00 C ATOM 730 O CYS A 54 0.126 -0.329 -7.231 1.00 0.00 O ATOM 731 CB CYS A 54 -2.809 0.955 -6.135 1.00 0.00 C ATOM 732 SG CYS A 54 -4.575 0.853 -6.572 1.00 0.00 S ATOM 0 H CYS A 54 -2.297 -0.882 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.324 -0.859 -7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.719 1.330 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.326 1.683 -6.786 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.296 1.189 -5.544 1.00 0.00 H new ATOM 737 N LYS A 55 -0.045 0.306 -5.080 1.00 0.00 N ATOM 738 CA LYS A 55 1.380 0.579 -4.933 1.00 0.00 C ATOM 739 C LYS A 55 2.207 -0.356 -5.810 1.00 0.00 C ATOM 740 O LYS A 55 1.916 -1.548 -5.910 1.00 0.00 O ATOM 741 CB LYS A 55 1.800 0.427 -3.469 1.00 0.00 C ATOM 742 CG LYS A 55 2.172 -0.995 -3.088 1.00 0.00 C ATOM 743 CD LYS A 55 2.552 -1.098 -1.620 1.00 0.00 C ATOM 744 CE LYS A 55 3.015 -2.501 -1.261 1.00 0.00 C ATOM 745 NZ LYS A 55 4.435 -2.732 -1.645 1.00 0.00 N ATOM 0 H LYS A 55 -0.596 0.477 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 55 1.563 1.605 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.650 1.081 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.985 0.764 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.333 -1.659 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.005 -1.332 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.345 -0.384 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.696 -0.827 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.899 -2.659 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.380 -3.232 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.707 -3.705 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.545 -2.590 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.046 -2.062 -1.135 1.00 0.00 H new ATOM 759 N VAL A 56 3.239 0.193 -6.442 1.00 0.00 N ATOM 760 CA VAL A 56 4.110 -0.592 -7.309 1.00 0.00 C ATOM 761 C VAL A 56 5.566 -0.169 -7.154 1.00 0.00 C ATOM 762 O VAL A 56 5.881 0.745 -6.391 1.00 0.00 O ATOM 763 CB VAL A 56 3.701 -0.456 -8.788 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.206 -0.684 -8.952 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.104 0.908 -9.327 1.00 0.00 C ATOM 0 H VAL A 56 3.493 1.178 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 56 4.003 -1.633 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 56 4.225 -1.219 -9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.936 -0.584 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.950 -1.685 -8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.659 0.054 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.808 0.988 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.609 1.688 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.184 1.027 -9.246 1.00 0.00 H new ATOM 775 N CYS A 57 6.452 -0.839 -7.884 1.00 0.00 N ATOM 776 CA CYS A 57 7.876 -0.532 -7.829 1.00 0.00 C ATOM 777 C CYS A 57 8.167 0.823 -8.468 1.00 0.00 C ATOM 778 O CYS A 57 7.431 1.276 -9.344 1.00 0.00 O ATOM 779 CB CYS A 57 8.682 -1.625 -8.536 1.00 0.00 C ATOM 780 SG CYS A 57 10.483 -1.487 -8.304 1.00 0.00 S ATOM 0 H CYS A 57 6.208 -1.598 -8.520 1.00 0.00 H new ATOM 0 HA CYS A 57 8.172 -0.490 -6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.353 -2.598 -8.171 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.460 -1.593 -9.603 1.00 0.00 H new ATOM 0 HG CYS A 57 10.936 -2.579 -7.763 1.00 0.00 H new ATOM 785 N GLN A 58 9.243 1.462 -8.023 1.00 0.00 N ATOM 786 CA GLN A 58 9.630 2.765 -8.551 1.00 0.00 C ATOM 787 C GLN A 58 10.903 2.659 -9.384 1.00 0.00 C ATOM 788 O GLN A 58 11.243 3.571 -10.136 1.00 0.00 O ATOM 789 CB GLN A 58 9.835 3.762 -7.409 1.00 0.00 C ATOM 790 CG GLN A 58 8.546 4.157 -6.707 1.00 0.00 C ATOM 791 CD GLN A 58 7.655 5.028 -7.571 1.00 0.00 C ATOM 792 OE1 GLN A 58 8.048 6.117 -7.988 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.447 4.550 -7.845 1.00 0.00 N ATOM 0 H GLN A 58 9.862 1.099 -7.298 1.00 0.00 H new ATOM 0 HA GLN A 58 8.825 3.121 -9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.519 3.329 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.314 4.659 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.001 3.257 -6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.786 4.689 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.163 3.642 -7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.803 5.091 -8.422 1.00 0.00 H new ATOM 802 N ASN A 59 11.604 1.538 -9.244 1.00 0.00 N ATOM 803 CA ASN A 59 12.841 1.313 -9.983 1.00 0.00 C ATOM 804 C ASN A 59 12.551 0.752 -11.371 1.00 0.00 C ATOM 805 O ASN A 59 13.167 1.156 -12.358 1.00 0.00 O ATOM 806 CB ASN A 59 13.752 0.354 -9.213 1.00 0.00 C ATOM 807 CG ASN A 59 14.225 0.938 -7.896 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.251 1.616 -7.837 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.476 0.676 -6.831 1.00 0.00 N ATOM 0 H ASN A 59 11.337 0.772 -8.626 1.00 0.00 H new ATOM 0 HA ASN A 59 13.347 2.272 -10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.218 -0.577 -9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.617 0.106 -9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.743 1.042 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.633 0.109 -6.927 1.00 0.00 H new ATOM 816 N CYS A 60 11.608 -0.182 -11.441 1.00 0.00 N ATOM 817 CA CYS A 60 11.234 -0.800 -12.708 1.00 0.00 C ATOM 818 C CYS A 60 9.807 -0.424 -13.096 1.00 0.00 C ATOM 819 O CYS A 60 9.462 -0.387 -14.277 1.00 0.00 O ATOM 820 CB CYS A 60 11.366 -2.321 -12.616 1.00 0.00 C ATOM 821 SG CYS A 60 10.099 -3.116 -11.575 1.00 0.00 S ATOM 0 H CYS A 60 11.088 -0.528 -10.634 1.00 0.00 H new ATOM 0 HA CYS A 60 11.911 -0.430 -13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.312 -2.741 -13.620 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.352 -2.566 -12.221 1.00 0.00 H new ATOM 0 HG CYS A 60 10.213 -2.690 -10.352 1.00 0.00 H new ATOM 826 N LYS A 61 8.981 -0.146 -12.093 1.00 0.00 N ATOM 827 CA LYS A 61 7.592 0.228 -12.327 1.00 0.00 C ATOM 828 C LYS A 61 6.799 -0.947 -12.890 1.00 0.00 C ATOM 829 O LYS A 61 6.172 -0.836 -13.943 1.00 0.00 O ATOM 830 CB LYS A 61 7.517 1.415 -13.290 1.00 0.00 C ATOM 831 CG LYS A 61 8.322 2.620 -12.834 1.00 0.00 C ATOM 832 CD LYS A 61 7.487 3.557 -11.978 1.00 0.00 C ATOM 833 CE LYS A 61 7.949 4.999 -12.117 1.00 0.00 C ATOM 834 NZ LYS A 61 6.911 5.961 -11.654 1.00 0.00 N ATOM 0 H LYS A 61 9.250 -0.173 -11.110 1.00 0.00 H new ATOM 0 HA LYS A 61 7.154 0.515 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.874 1.100 -14.270 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.474 1.709 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.191 2.285 -12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.697 3.158 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.439 3.480 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.552 3.252 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.862 5.145 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.194 5.203 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.264 6.933 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.048 5.840 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.695 5.783 -10.652 1.00 0.00 H new ATOM 848 N GLN A 62 6.830 -2.071 -12.180 1.00 0.00 N ATOM 849 CA GLN A 62 6.114 -3.265 -12.610 1.00 0.00 C ATOM 850 C GLN A 62 5.476 -3.975 -11.420 1.00 0.00 C ATOM 851 O GLN A 62 6.157 -4.330 -10.458 1.00 0.00 O ATOM 852 CB GLN A 62 7.061 -4.219 -13.340 1.00 0.00 C ATOM 853 CG GLN A 62 7.632 -5.310 -12.448 1.00 0.00 C ATOM 854 CD GLN A 62 8.545 -6.260 -13.199 1.00 0.00 C ATOM 855 OE1 GLN A 62 8.205 -7.422 -13.419 1.00 0.00 O ATOM 856 NE2 GLN A 62 9.712 -5.768 -13.597 1.00 0.00 N ATOM 0 H GLN A 62 7.343 -2.179 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 62 5.323 -2.957 -13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.528 -4.682 -14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.882 -3.645 -13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.186 -4.851 -11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.813 -5.875 -12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.953 -4.798 -13.393 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.368 -6.360 -14.107 1.00 0.00 H new ATOM 865 N SER A 63 4.164 -4.178 -11.492 1.00 0.00 N ATOM 866 CA SER A 63 3.433 -4.841 -10.419 1.00 0.00 C ATOM 867 C SER A 63 3.277 -6.331 -10.708 1.00 0.00 C ATOM 868 O SER A 63 2.598 -6.723 -11.657 1.00 0.00 O ATOM 869 CB SER A 63 2.057 -4.198 -10.237 1.00 0.00 C ATOM 870 OG SER A 63 1.186 -4.550 -11.298 1.00 0.00 O ATOM 0 H SER A 63 3.586 -3.893 -12.282 1.00 0.00 H new ATOM 0 HA SER A 63 4.004 -4.725 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.626 -4.516 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.162 -3.114 -10.192 1.00 0.00 H new ATOM 0 HG SER A 63 1.596 -5.260 -11.836 1.00 0.00 H new ATOM 876 N GLY A 64 3.911 -7.158 -9.882 1.00 0.00 N ATOM 877 CA GLY A 64 3.831 -8.595 -10.065 1.00 0.00 C ATOM 878 C GLY A 64 4.508 -9.361 -8.946 1.00 0.00 C ATOM 879 O GLY A 64 3.881 -10.184 -8.281 1.00 0.00 O ATOM 0 H GLY A 64 4.479 -6.858 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.784 -8.893 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.292 -8.863 -11.015 1.00 0.00 H new ATOM 883 N GLU A 65 5.794 -9.091 -8.740 1.00 0.00 N ATOM 884 CA GLU A 65 6.557 -9.763 -7.696 1.00 0.00 C ATOM 885 C GLU A 65 6.283 -9.135 -6.332 1.00 0.00 C ATOM 886 O GLU A 65 7.208 -8.850 -5.571 1.00 0.00 O ATOM 887 CB GLU A 65 8.054 -9.701 -8.006 1.00 0.00 C ATOM 888 CG GLU A 65 8.428 -10.347 -9.330 1.00 0.00 C ATOM 889 CD GLU A 65 8.273 -11.855 -9.308 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.372 -12.446 -8.212 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.053 -12.444 -10.387 1.00 0.00 O ATOM 0 H GLU A 65 6.328 -8.412 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 65 6.242 -10.806 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.371 -8.658 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.604 -10.193 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.803 -9.933 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.460 -10.095 -9.574 1.00 0.00 H new ATOM 898 N ASP A 66 5.007 -8.923 -6.031 1.00 0.00 N ATOM 899 CA ASP A 66 4.610 -8.330 -4.759 1.00 0.00 C ATOM 900 C ASP A 66 5.356 -8.980 -3.599 1.00 0.00 C ATOM 901 O ASP A 66 6.103 -8.318 -2.879 1.00 0.00 O ATOM 902 CB ASP A 66 3.101 -8.472 -4.555 1.00 0.00 C ATOM 903 CG ASP A 66 2.313 -8.148 -5.809 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.841 -7.410 -6.667 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.169 -8.633 -5.933 1.00 0.00 O ATOM 0 H ASP A 66 4.230 -9.153 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 66 4.868 -7.271 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.874 -9.491 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.783 -7.811 -3.749 1.00 0.00 H new ATOM 910 N SER A 67 5.148 -10.282 -3.424 1.00 0.00 N ATOM 911 CA SER A 67 5.798 -11.021 -2.348 1.00 0.00 C ATOM 912 C SER A 67 7.249 -10.580 -2.184 1.00 0.00 C ATOM 913 O SER A 67 7.668 -10.169 -1.102 1.00 0.00 O ATOM 914 CB SER A 67 5.738 -12.525 -2.625 1.00 0.00 C ATOM 915 OG SER A 67 4.412 -12.939 -2.904 1.00 0.00 O ATOM 0 H SER A 67 4.535 -10.846 -4.013 1.00 0.00 H new ATOM 0 HA SER A 67 5.265 -10.808 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.384 -12.769 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.120 -13.072 -1.763 1.00 0.00 H new ATOM 0 HG SER A 67 4.400 -13.903 -3.079 1.00 0.00 H new ATOM 921 N LYS A 68 8.013 -10.669 -3.268 1.00 0.00 N ATOM 922 CA LYS A 68 9.418 -10.278 -3.248 1.00 0.00 C ATOM 923 C LYS A 68 9.566 -8.797 -2.918 1.00 0.00 C ATOM 924 O LYS A 68 10.522 -8.391 -2.257 1.00 0.00 O ATOM 925 CB LYS A 68 10.071 -10.578 -4.599 1.00 0.00 C ATOM 926 CG LYS A 68 9.891 -12.016 -5.056 1.00 0.00 C ATOM 927 CD LYS A 68 11.038 -12.897 -4.591 1.00 0.00 C ATOM 928 CE LYS A 68 10.981 -14.273 -5.238 1.00 0.00 C ATOM 929 NZ LYS A 68 12.135 -15.123 -4.835 1.00 0.00 N ATOM 0 H LYS A 68 7.683 -11.008 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 68 9.919 -10.857 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.651 -9.911 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.136 -10.356 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.950 -12.407 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.825 -12.047 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.987 -12.419 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.001 -13.002 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.051 -14.767 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.971 -14.164 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.060 -16.052 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.022 -14.664 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.130 -15.248 -3.803 1.00 0.00 H new ATOM 943 N MET A 69 8.614 -7.994 -3.381 1.00 0.00 N ATOM 944 CA MET A 69 8.638 -6.557 -3.132 1.00 0.00 C ATOM 945 C MET A 69 8.486 -6.261 -1.643 1.00 0.00 C ATOM 946 O MET A 69 7.538 -6.718 -1.003 1.00 0.00 O ATOM 947 CB MET A 69 7.525 -5.862 -3.919 1.00 0.00 C ATOM 948 CG MET A 69 7.376 -4.386 -3.587 1.00 0.00 C ATOM 949 SD MET A 69 5.834 -3.687 -4.206 1.00 0.00 S ATOM 950 CE MET A 69 6.371 -3.024 -5.781 1.00 0.00 C ATOM 0 H MET A 69 7.816 -8.314 -3.931 1.00 0.00 H new ATOM 0 HA MET A 69 9.602 -6.172 -3.464 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.725 -5.968 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.580 -6.368 -3.720 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.422 -4.254 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.216 -3.836 -4.011 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.521 -2.966 -6.460 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.786 -2.027 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.133 -3.675 -6.209 1.00 0.00 H new ATOM 960 N LEU A 70 9.424 -5.494 -1.098 1.00 0.00 N ATOM 961 CA LEU A 70 9.393 -5.137 0.316 1.00 0.00 C ATOM 962 C LEU A 70 8.476 -3.942 0.557 1.00 0.00 C ATOM 963 O LEU A 70 8.390 -3.035 -0.271 1.00 0.00 O ATOM 964 CB LEU A 70 10.805 -4.818 0.812 1.00 0.00 C ATOM 965 CG LEU A 70 11.787 -5.989 0.838 1.00 0.00 C ATOM 966 CD1 LEU A 70 12.661 -5.980 -0.407 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.645 -5.938 2.094 1.00 0.00 C ATOM 0 H LEU A 70 10.215 -5.108 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 70 9.002 -5.989 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.222 -4.034 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.731 -4.409 1.820 1.00 0.00 H new ATOM 0 HG LEU A 70 11.216 -6.917 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.354 -6.821 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.032 -6.065 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.224 -5.048 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.338 -6.779 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.207 -5.004 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.005 -5.994 2.974 1.00 0.00 H new ATOM 979 N VAL A 71 7.792 -3.948 1.697 1.00 0.00 N ATOM 980 CA VAL A 71 6.883 -2.864 2.048 1.00 0.00 C ATOM 981 C VAL A 71 7.418 -2.058 3.227 1.00 0.00 C ATOM 982 O VAL A 71 7.318 -2.482 4.379 1.00 0.00 O ATOM 983 CB VAL A 71 5.481 -3.398 2.399 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.511 -2.247 2.620 1.00 0.00 C ATOM 985 CG2 VAL A 71 4.977 -4.328 1.307 1.00 0.00 C ATOM 0 H VAL A 71 7.850 -4.692 2.393 1.00 0.00 H new ATOM 0 HA VAL A 71 6.809 -2.218 1.173 1.00 0.00 H new ATOM 0 HB VAL A 71 5.549 -3.967 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.526 -2.643 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.867 -1.623 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.444 -1.648 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.986 -4.696 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.923 -3.785 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.661 -5.171 1.202 1.00 0.00 H new ATOM 995 N CYS A 72 7.985 -0.894 2.931 1.00 0.00 N ATOM 996 CA CYS A 72 8.537 -0.027 3.966 1.00 0.00 C ATOM 997 C CYS A 72 7.506 0.241 5.058 1.00 0.00 C ATOM 998 O CYS A 72 6.369 0.618 4.774 1.00 0.00 O ATOM 999 CB CYS A 72 9.006 1.296 3.356 1.00 0.00 C ATOM 1000 SG CYS A 72 9.664 2.483 4.571 1.00 0.00 S ATOM 0 H CYS A 72 8.075 -0.529 1.983 1.00 0.00 H new ATOM 0 HA CYS A 72 9.391 -0.536 4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.776 1.088 2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.171 1.757 2.829 1.00 0.00 H new ATOM 0 HG CYS A 72 10.518 3.272 3.989 1.00 0.00 H new ATOM 1005 N ASP A 73 7.911 0.043 6.308 1.00 0.00 N ATOM 1006 CA ASP A 73 7.023 0.264 7.443 1.00 0.00 C ATOM 1007 C ASP A 73 7.005 1.737 7.840 1.00 0.00 C ATOM 1008 O ASP A 73 6.710 2.080 8.986 1.00 0.00 O ATOM 1009 CB ASP A 73 7.459 -0.592 8.633 1.00 0.00 C ATOM 1010 CG ASP A 73 7.437 -2.074 8.319 1.00 0.00 C ATOM 1011 OD1 ASP A 73 8.096 -2.483 7.340 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.761 -2.827 9.051 1.00 0.00 O ATOM 0 H ASP A 73 8.848 -0.270 6.561 1.00 0.00 H new ATOM 0 HA ASP A 73 6.015 -0.026 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.465 -0.303 8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.802 -0.393 9.480 1.00 0.00 H new ATOM 1017 N THR A 74 7.322 2.606 6.885 1.00 0.00 N ATOM 1018 CA THR A 74 7.345 4.042 7.135 1.00 0.00 C ATOM 1019 C THR A 74 6.564 4.798 6.066 1.00 0.00 C ATOM 1020 O THR A 74 5.793 5.708 6.373 1.00 0.00 O ATOM 1021 CB THR A 74 8.787 4.582 7.179 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.572 3.808 8.092 1.00 0.00 O ATOM 1023 CG2 THR A 74 8.804 6.044 7.600 1.00 0.00 C ATOM 0 H THR A 74 7.566 2.340 5.931 1.00 0.00 H new ATOM 0 HA THR A 74 6.876 4.201 8.106 1.00 0.00 H new ATOM 0 HB THR A 74 9.212 4.503 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.488 4.156 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.833 6.404 7.624 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.230 6.635 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.362 6.142 8.592 1.00 0.00 H new ATOM 1031 N CYS A 75 6.767 4.416 4.810 1.00 0.00 N ATOM 1032 CA CYS A 75 6.082 5.058 3.694 1.00 0.00 C ATOM 1033 C CYS A 75 5.182 4.064 2.965 1.00 0.00 C ATOM 1034 O CYS A 75 4.083 4.409 2.531 1.00 0.00 O ATOM 1035 CB CYS A 75 7.098 5.654 2.719 1.00 0.00 C ATOM 1036 SG CYS A 75 8.139 4.416 1.881 1.00 0.00 S ATOM 0 H CYS A 75 7.401 3.664 4.539 1.00 0.00 H new ATOM 0 HA CYS A 75 5.460 5.859 4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.565 6.235 1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.741 6.348 3.260 1.00 0.00 H new ATOM 0 HG CYS A 75 8.874 3.801 2.759 1.00 0.00 H new ATOM 1041 N ASP A 76 5.657 2.831 2.834 1.00 0.00 N ATOM 1042 CA ASP A 76 4.896 1.786 2.158 1.00 0.00 C ATOM 1043 C ASP A 76 4.886 2.011 0.649 1.00 0.00 C ATOM 1044 O ASP A 76 3.825 2.077 0.028 1.00 0.00 O ATOM 1045 CB ASP A 76 3.463 1.745 2.690 1.00 0.00 C ATOM 1046 CG ASP A 76 2.848 0.362 2.590 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.548 -0.073 1.459 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.668 -0.284 3.643 1.00 0.00 O ATOM 0 H ASP A 76 6.565 2.530 3.187 1.00 0.00 H new ATOM 0 HA ASP A 76 5.378 0.830 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.455 2.069 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.851 2.453 2.132 1.00 0.00 H new ATOM 1053 N LYS A 77 6.074 2.129 0.065 1.00 0.00 N ATOM 1054 CA LYS A 77 6.203 2.346 -1.371 1.00 0.00 C ATOM 1055 C LYS A 77 6.199 1.020 -2.124 1.00 0.00 C ATOM 1056 O LYS A 77 5.257 0.711 -2.852 1.00 0.00 O ATOM 1057 CB LYS A 77 7.490 3.116 -1.677 1.00 0.00 C ATOM 1058 CG LYS A 77 7.391 4.604 -1.392 1.00 0.00 C ATOM 1059 CD LYS A 77 6.676 5.340 -2.512 1.00 0.00 C ATOM 1060 CE LYS A 77 6.603 6.835 -2.239 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.473 7.179 -1.332 1.00 0.00 N ATOM 0 H LYS A 77 6.962 2.078 0.565 1.00 0.00 H new ATOM 0 HA LYS A 77 5.347 2.934 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.304 2.695 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.749 2.972 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.858 4.761 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.391 5.018 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.197 5.166 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.668 4.940 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.540 7.169 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.488 7.371 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.458 8.206 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.576 6.883 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.595 6.688 -0.423 1.00 0.00 H new ATOM 1075 N GLY A 78 7.259 0.238 -1.943 1.00 0.00 N ATOM 1076 CA GLY A 78 7.357 -1.046 -2.611 1.00 0.00 C ATOM 1077 C GLY A 78 8.533 -1.115 -3.565 1.00 0.00 C ATOM 1078 O GLY A 78 8.588 -0.378 -4.549 1.00 0.00 O ATOM 0 H GLY A 78 8.052 0.471 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.452 -1.834 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.435 -1.237 -3.161 1.00 0.00 H new ATOM 1082 N TYR A 79 9.478 -2.002 -3.273 1.00 0.00 N ATOM 1083 CA TYR A 79 10.661 -2.162 -4.110 1.00 0.00 C ATOM 1084 C TYR A 79 11.124 -3.616 -4.126 1.00 0.00 C ATOM 1085 O TYR A 79 11.418 -4.198 -3.082 1.00 0.00 O ATOM 1086 CB TYR A 79 11.791 -1.261 -3.609 1.00 0.00 C ATOM 1087 CG TYR A 79 11.340 0.141 -3.265 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.259 1.125 -4.241 1.00 0.00 C ATOM 1089 CD2 TYR A 79 10.995 0.480 -1.962 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.848 2.407 -3.931 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.582 1.759 -1.643 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.511 2.719 -2.630 1.00 0.00 C ATOM 1093 OH TYR A 79 10.100 3.995 -2.317 1.00 0.00 O ATOM 0 H TYR A 79 9.448 -2.621 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 79 10.398 -1.872 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.243 -1.715 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.567 -1.207 -4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.522 0.884 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.051 -0.269 -1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.791 3.161 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.316 2.006 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 79 9.654 4.395 -3.093 1.00 0.00 H new ATOM 1103 N HIS A 80 11.188 -4.196 -5.321 1.00 0.00 N ATOM 1104 CA HIS A 80 11.617 -5.581 -5.476 1.00 0.00 C ATOM 1105 C HIS A 80 13.029 -5.777 -4.931 1.00 0.00 C ATOM 1106 O HIS A 80 13.912 -4.947 -5.151 1.00 0.00 O ATOM 1107 CB HIS A 80 11.564 -5.992 -6.947 1.00 0.00 C ATOM 1108 CG HIS A 80 10.213 -5.817 -7.570 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.030 -6.417 -7.302 1.00 0.00 N flip ATOM 1110 CD2 HIS A 80 9.969 -4.935 -8.602 1.00 0.00 C flip ATOM 1111 CE1 HIS A 80 8.101 -5.892 -8.167 1.00 0.00 C flip ATOM 1112 NE2 HIS A 80 8.693 -5.000 -8.940 1.00 0.00 N flip ATOM 0 H HIS A 80 10.948 -3.728 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 80 10.936 -6.212 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.292 -5.404 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.863 -7.037 -7.035 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.860 -7.127 -6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.705 -4.292 -9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.057 -6.164 -8.208 1.00 0.00 H new ATOM 1120 N THR A 81 13.235 -6.881 -4.219 1.00 0.00 N ATOM 1121 CA THR A 81 14.538 -7.185 -3.641 1.00 0.00 C ATOM 1122 C THR A 81 15.656 -6.942 -4.648 1.00 0.00 C ATOM 1123 O THR A 81 16.665 -6.311 -4.332 1.00 0.00 O ATOM 1124 CB THR A 81 14.610 -8.644 -3.153 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.979 -9.510 -4.104 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.937 -8.795 -1.797 1.00 0.00 C ATOM 0 H THR A 81 12.516 -7.579 -4.029 1.00 0.00 H new ATOM 0 HA THR A 81 14.669 -6.518 -2.789 1.00 0.00 H new ATOM 0 HB THR A 81 15.660 -8.919 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.030 -10.436 -3.788 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.000 -9.834 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.438 -8.157 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.890 -8.503 -1.876 1.00 0.00 H new ATOM 1134 N PHE A 82 15.471 -7.447 -5.864 1.00 0.00 N ATOM 1135 CA PHE A 82 16.465 -7.285 -6.918 1.00 0.00 C ATOM 1136 C PHE A 82 16.517 -5.838 -7.399 1.00 0.00 C ATOM 1137 O PHE A 82 17.528 -5.386 -7.938 1.00 0.00 O ATOM 1138 CB PHE A 82 16.150 -8.214 -8.093 1.00 0.00 C ATOM 1139 CG PHE A 82 14.694 -8.242 -8.460 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.176 -7.329 -9.364 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.843 -9.183 -7.902 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.837 -7.352 -9.704 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.502 -9.211 -8.238 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.999 -8.295 -9.141 1.00 0.00 C ATOM 0 H PHE A 82 14.642 -7.972 -6.143 1.00 0.00 H new ATOM 0 HA PHE A 82 17.440 -7.548 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.729 -7.899 -8.961 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.473 -9.225 -7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.827 -6.590 -9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.232 -9.903 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.446 -6.634 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.849 -9.948 -7.795 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.952 -8.316 -9.407 1.00 0.00 H new ATOM 1154 N CYS A 83 15.419 -5.116 -7.202 1.00 0.00 N ATOM 1155 CA CYS A 83 15.337 -3.720 -7.616 1.00 0.00 C ATOM 1156 C CYS A 83 15.951 -2.803 -6.562 1.00 0.00 C ATOM 1157 O CYS A 83 15.644 -1.612 -6.505 1.00 0.00 O ATOM 1158 CB CYS A 83 13.880 -3.326 -7.865 1.00 0.00 C ATOM 1159 SG CYS A 83 13.207 -3.925 -9.448 1.00 0.00 S ATOM 0 H CYS A 83 14.573 -5.474 -6.758 1.00 0.00 H new ATOM 0 HA CYS A 83 15.901 -3.607 -8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.266 -3.713 -7.052 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.799 -2.239 -7.836 1.00 0.00 H new ATOM 0 HG CYS A 83 13.276 -5.223 -9.486 1.00 0.00 H new ATOM 1164 N LEU A 84 16.819 -3.367 -5.729 1.00 0.00 N ATOM 1165 CA LEU A 84 17.477 -2.600 -4.676 1.00 0.00 C ATOM 1166 C LEU A 84 18.988 -2.578 -4.883 1.00 0.00 C ATOM 1167 O LEU A 84 19.581 -3.571 -5.304 1.00 0.00 O ATOM 1168 CB LEU A 84 17.147 -3.193 -3.305 1.00 0.00 C ATOM 1169 CG LEU A 84 15.690 -3.073 -2.855 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.470 -3.829 -1.554 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.300 -1.610 -2.697 1.00 0.00 C ATOM 0 H LEU A 84 17.083 -4.352 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 84 17.108 -1.575 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.418 -4.249 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.778 -2.708 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 84 15.054 -3.517 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.428 -3.733 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.709 -4.882 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.115 -3.415 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.260 -1.543 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.941 -1.141 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.419 -1.097 -3.651 1.00 0.00 H new ATOM 1183 N GLN A 85 19.604 -1.439 -4.582 1.00 0.00 N ATOM 1184 CA GLN A 85 21.046 -1.288 -4.734 1.00 0.00 C ATOM 1185 C GLN A 85 21.689 -0.853 -3.421 1.00 0.00 C ATOM 1186 O GLN A 85 21.564 0.294 -2.990 1.00 0.00 O ATOM 1187 CB GLN A 85 21.362 -0.271 -5.831 1.00 0.00 C ATOM 1188 CG GLN A 85 20.682 1.073 -5.629 1.00 0.00 C ATOM 1189 CD GLN A 85 21.535 2.046 -4.839 1.00 0.00 C ATOM 1190 OE1 GLN A 85 22.723 1.809 -4.617 1.00 0.00 O ATOM 1191 NE2 GLN A 85 20.933 3.148 -4.409 1.00 0.00 N ATOM 0 H GLN A 85 19.127 -0.608 -4.232 1.00 0.00 H new ATOM 0 HA GLN A 85 21.459 -2.256 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 85 22.441 -0.120 -5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.058 -0.681 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 85 20.448 1.507 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 85 19.735 0.922 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.946 3.304 -4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 85 21.457 3.839 -3.872 1.00 0.00 H new ATOM 1200 N PRO A 86 22.394 -1.789 -2.767 1.00 0.00 N ATOM 1201 CA PRO A 86 22.549 -3.157 -3.270 1.00 0.00 C ATOM 1202 C PRO A 86 21.249 -3.950 -3.203 1.00 0.00 C ATOM 1203 O PRO A 86 20.264 -3.499 -2.617 1.00 0.00 O ATOM 1204 CB PRO A 86 23.594 -3.763 -2.330 1.00 0.00 C ATOM 1205 CG PRO A 86 23.473 -2.977 -1.070 1.00 0.00 C ATOM 1206 CD PRO A 86 23.093 -1.583 -1.488 1.00 0.00 C ATOM 0 HA PRO A 86 22.839 -3.175 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.403 -4.822 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.597 -3.685 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.718 -3.407 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.413 -2.977 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.449 -1.104 -0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.970 -0.946 -1.607 1.00 0.00 H new ATOM 1214 N VAL A 87 21.252 -5.135 -3.807 1.00 0.00 N ATOM 1215 CA VAL A 87 20.072 -5.992 -3.814 1.00 0.00 C ATOM 1216 C VAL A 87 19.960 -6.784 -2.516 1.00 0.00 C ATOM 1217 O VAL A 87 20.962 -7.058 -1.856 1.00 0.00 O ATOM 1218 CB VAL A 87 20.099 -6.972 -5.001 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.250 -8.199 -4.700 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.623 -6.284 -6.272 1.00 0.00 C ATOM 0 H VAL A 87 22.058 -5.523 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 87 19.205 -5.338 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 87 21.127 -7.299 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.281 -8.880 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.640 -8.704 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.220 -7.893 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.649 -6.992 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.603 -5.926 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.276 -5.440 -6.495 1.00 0.00 H new ATOM 1230 N MET A 88 18.735 -7.151 -2.157 1.00 0.00 N ATOM 1231 CA MET A 88 18.492 -7.914 -0.939 1.00 0.00 C ATOM 1232 C MET A 88 18.265 -9.389 -1.257 1.00 0.00 C ATOM 1233 O MET A 88 17.175 -9.784 -1.672 1.00 0.00 O ATOM 1234 CB MET A 88 17.283 -7.350 -0.190 1.00 0.00 C ATOM 1235 CG MET A 88 17.511 -5.955 0.369 1.00 0.00 C ATOM 1236 SD MET A 88 16.048 -5.284 1.181 1.00 0.00 S ATOM 1237 CE MET A 88 15.868 -6.424 2.551 1.00 0.00 C ATOM 0 H MET A 88 17.895 -6.932 -2.692 1.00 0.00 H new ATOM 0 HA MET A 88 19.375 -7.829 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.427 -7.327 -0.864 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.027 -8.023 0.628 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.336 -5.984 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.811 -5.288 -0.440 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.199 -5.994 3.297 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.452 -7.364 2.190 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.843 -6.608 3.002 1.00 0.00 H new ATOM 1247 N LYS A 89 19.300 -10.198 -1.061 1.00 0.00 N ATOM 1248 CA LYS A 89 19.214 -11.629 -1.326 1.00 0.00 C ATOM 1249 C LYS A 89 17.948 -12.221 -0.715 1.00 0.00 C ATOM 1250 O LYS A 89 17.260 -13.024 -1.345 1.00 0.00 O ATOM 1251 CB LYS A 89 20.445 -12.347 -0.768 1.00 0.00 C ATOM 1252 CG LYS A 89 21.709 -12.101 -1.573 1.00 0.00 C ATOM 1253 CD LYS A 89 21.656 -12.798 -2.923 1.00 0.00 C ATOM 1254 CE LYS A 89 22.459 -12.043 -3.972 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.924 -12.245 -3.800 1.00 0.00 N ATOM 0 H LYS A 89 20.209 -9.887 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 89 19.176 -11.771 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.610 -12.023 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.247 -13.418 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.844 -11.030 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.573 -12.457 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.045 -13.812 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.619 -12.884 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.161 -12.375 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.229 -10.979 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.436 -11.715 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.213 -11.905 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 24.147 -13.257 -3.885 1.00 0.00 H new ATOM 1269 N SER A 90 17.645 -11.817 0.515 1.00 0.00 N ATOM 1270 CA SER A 90 16.463 -12.309 1.212 1.00 0.00 C ATOM 1271 C SER A 90 15.679 -11.156 1.832 1.00 0.00 C ATOM 1272 O SER A 90 16.086 -9.997 1.749 1.00 0.00 O ATOM 1273 CB SER A 90 16.864 -13.310 2.297 1.00 0.00 C ATOM 1274 OG SER A 90 17.869 -12.774 3.139 1.00 0.00 O ATOM 0 H SER A 90 18.202 -11.150 1.049 1.00 0.00 H new ATOM 0 HA SER A 90 15.825 -12.810 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.990 -13.576 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.225 -14.228 1.834 1.00 0.00 H new ATOM 0 HG SER A 90 18.107 -13.432 3.825 1.00 0.00 H new ATOM 1280 N VAL A 91 14.552 -11.483 2.456 1.00 0.00 N ATOM 1281 CA VAL A 91 13.710 -10.477 3.092 1.00 0.00 C ATOM 1282 C VAL A 91 13.785 -10.579 4.611 1.00 0.00 C ATOM 1283 O VAL A 91 13.742 -11.665 5.189 1.00 0.00 O ATOM 1284 CB VAL A 91 12.241 -10.614 2.652 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.358 -9.648 3.427 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.110 -10.384 1.154 1.00 0.00 C ATOM 0 H VAL A 91 14.201 -12.437 2.535 1.00 0.00 H new ATOM 0 HA VAL A 91 14.087 -9.504 2.776 1.00 0.00 H new ATOM 0 HB VAL A 91 11.908 -11.628 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.324 -9.760 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.429 -9.865 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.688 -8.626 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.065 -10.485 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.461 -9.382 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.710 -11.120 0.619 1.00 0.00 H new ATOM 1296 N PRO A 92 13.901 -9.420 5.277 1.00 0.00 N ATOM 1297 CA PRO A 92 13.984 -9.351 6.739 1.00 0.00 C ATOM 1298 C PRO A 92 12.666 -9.719 7.412 1.00 0.00 C ATOM 1299 O PRO A 92 11.640 -9.875 6.749 1.00 0.00 O ATOM 1300 CB PRO A 92 14.330 -7.884 7.006 1.00 0.00 C ATOM 1301 CG PRO A 92 13.808 -7.150 5.819 1.00 0.00 C ATOM 1302 CD PRO A 92 13.959 -8.087 4.653 1.00 0.00 C ATOM 0 HA PRO A 92 14.714 -10.055 7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.866 -7.529 7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.405 -7.745 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.764 -6.870 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.366 -6.228 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.162 -7.950 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.902 -7.929 4.130 1.00 0.00 H new ATOM 1310 N THR A 93 12.700 -9.856 8.734 1.00 0.00 N ATOM 1311 CA THR A 93 11.509 -10.206 9.497 1.00 0.00 C ATOM 1312 C THR A 93 11.212 -9.159 10.564 1.00 0.00 C ATOM 1313 O THR A 93 10.102 -9.094 11.092 1.00 0.00 O ATOM 1314 CB THR A 93 11.659 -11.583 10.172 1.00 0.00 C ATOM 1315 OG1 THR A 93 10.498 -11.870 10.960 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.898 -11.621 11.053 1.00 0.00 C ATOM 0 H THR A 93 13.540 -9.730 9.298 1.00 0.00 H new ATOM 0 HA THR A 93 10.681 -10.245 8.790 1.00 0.00 H new ATOM 0 HB THR A 93 11.764 -12.337 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.042 -11.033 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.983 -12.603 11.519 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.783 -11.430 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.818 -10.858 11.827 1.00 0.00 H new ATOM 1324 N ASN A 94 12.211 -8.340 10.877 1.00 0.00 N ATOM 1325 CA ASN A 94 12.055 -7.294 11.882 1.00 0.00 C ATOM 1326 C ASN A 94 11.742 -5.952 11.227 1.00 0.00 C ATOM 1327 O ASN A 94 12.401 -4.949 11.496 1.00 0.00 O ATOM 1328 CB ASN A 94 13.326 -7.178 12.727 1.00 0.00 C ATOM 1329 CG ASN A 94 13.453 -8.301 13.737 1.00 0.00 C ATOM 1330 OD1 ASN A 94 12.457 -8.897 14.148 1.00 0.00 O ATOM 1331 ND2 ASN A 94 14.682 -8.595 14.144 1.00 0.00 N ATOM 0 H ASN A 94 13.136 -8.380 10.450 1.00 0.00 H new ATOM 0 HA ASN A 94 11.220 -7.566 12.528 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.197 -7.183 12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.326 -6.221 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.829 -9.341 14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.479 -8.075 13.777 1.00 0.00 H new ATOM 1338 N GLY A 95 10.730 -5.943 10.365 1.00 0.00 N ATOM 1339 CA GLY A 95 10.346 -4.719 9.685 1.00 0.00 C ATOM 1340 C GLY A 95 11.434 -4.200 8.767 1.00 0.00 C ATOM 1341 O GLY A 95 12.606 -4.164 9.141 1.00 0.00 O ATOM 0 H GLY A 95 10.169 -6.761 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.441 -4.898 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.105 -3.956 10.425 1.00 0.00 H new ATOM 1345 N TRP A 96 11.047 -3.799 7.561 1.00 0.00 N ATOM 1346 CA TRP A 96 12.000 -3.281 6.586 1.00 0.00 C ATOM 1347 C TRP A 96 11.830 -1.777 6.405 1.00 0.00 C ATOM 1348 O TRP A 96 10.717 -1.255 6.467 1.00 0.00 O ATOM 1349 CB TRP A 96 11.824 -3.992 5.243 1.00 0.00 C ATOM 1350 CG TRP A 96 12.811 -3.552 4.204 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.150 -3.816 4.182 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.535 -2.768 3.039 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.724 -3.244 3.072 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.754 -2.596 2.354 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.377 -2.196 2.505 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.846 -1.875 1.166 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.470 -1.481 1.326 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.696 -1.326 0.667 1.00 0.00 C ATOM 0 H TRP A 96 10.081 -3.823 7.235 1.00 0.00 H new ATOM 0 HA TRP A 96 13.006 -3.471 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.921 -5.067 5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.814 -3.812 4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.680 -4.390 4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.712 -3.294 2.823 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.426 -2.311 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.791 -1.754 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.581 -1.034 0.905 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.735 -0.762 -0.253 1.00 0.00 H new ATOM 1369 N LYS A 97 12.941 -1.083 6.181 1.00 0.00 N ATOM 1370 CA LYS A 97 12.915 0.363 5.989 1.00 0.00 C ATOM 1371 C LYS A 97 13.619 0.752 4.693 1.00 0.00 C ATOM 1372 O LYS A 97 14.782 0.408 4.479 1.00 0.00 O ATOM 1373 CB LYS A 97 13.580 1.067 7.174 1.00 0.00 C ATOM 1374 CG LYS A 97 13.007 2.444 7.463 1.00 0.00 C ATOM 1375 CD LYS A 97 13.928 3.254 8.359 1.00 0.00 C ATOM 1376 CE LYS A 97 13.659 2.979 9.830 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.887 3.133 10.657 1.00 0.00 N ATOM 0 H LYS A 97 13.871 -1.498 6.128 1.00 0.00 H new ATOM 0 HA LYS A 97 11.873 0.678 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.473 0.444 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.648 1.161 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.848 2.977 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.032 2.341 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.966 3.015 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.793 4.316 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.890 3.661 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.268 1.968 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.661 2.937 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.613 2.465 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.246 4.105 10.568 1.00 0.00 H new ATOM 1391 N CYS A 98 12.908 1.473 3.833 1.00 0.00 N ATOM 1392 CA CYS A 98 13.465 1.910 2.558 1.00 0.00 C ATOM 1393 C CYS A 98 14.505 3.007 2.767 1.00 0.00 C ATOM 1394 O CYS A 98 14.620 3.571 3.855 1.00 0.00 O ATOM 1395 CB CYS A 98 12.351 2.417 1.639 1.00 0.00 C ATOM 1396 SG CYS A 98 11.899 4.161 1.910 1.00 0.00 S ATOM 0 H CYS A 98 11.945 1.767 3.996 1.00 0.00 H new ATOM 0 HA CYS A 98 13.953 1.055 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.664 2.291 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.466 1.797 1.782 1.00 0.00 H new ATOM 0 HG CYS A 98 10.604 4.280 1.904 1.00 0.00 H new ATOM 1401 N LYS A 99 15.262 3.304 1.716 1.00 0.00 N ATOM 1402 CA LYS A 99 16.293 4.333 1.781 1.00 0.00 C ATOM 1403 C LYS A 99 15.671 5.716 1.948 1.00 0.00 C ATOM 1404 O LYS A 99 15.943 6.415 2.923 1.00 0.00 O ATOM 1405 CB LYS A 99 17.156 4.300 0.518 1.00 0.00 C ATOM 1406 CG LYS A 99 18.245 5.359 0.497 1.00 0.00 C ATOM 1407 CD LYS A 99 18.638 5.727 -0.924 1.00 0.00 C ATOM 1408 CE LYS A 99 19.470 6.999 -0.960 1.00 0.00 C ATOM 1409 NZ LYS A 99 19.321 7.723 -2.253 1.00 0.00 N ATOM 0 H LYS A 99 15.181 2.846 0.808 1.00 0.00 H new ATOM 0 HA LYS A 99 16.921 4.129 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.616 3.316 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.515 4.433 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.898 6.249 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.120 4.993 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.203 4.909 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.740 5.861 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.170 7.653 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.520 6.751 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.904 8.584 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.631 7.109 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.324 7.982 -2.393 1.00 0.00 H new ATOM 1423 N ASN A 100 14.834 6.103 0.991 1.00 0.00 N ATOM 1424 CA ASN A 100 14.173 7.402 1.033 1.00 0.00 C ATOM 1425 C ASN A 100 13.711 7.731 2.450 1.00 0.00 C ATOM 1426 O ASN A 100 13.558 8.899 2.809 1.00 0.00 O ATOM 1427 CB ASN A 100 12.979 7.421 0.078 1.00 0.00 C ATOM 1428 CG ASN A 100 13.369 7.838 -1.327 1.00 0.00 C ATOM 1429 OD1 ASN A 100 13.004 8.918 -1.791 1.00 0.00 O ATOM 1430 ND2 ASN A 100 14.115 6.979 -2.013 1.00 0.00 N ATOM 0 H ASN A 100 14.597 5.536 0.177 1.00 0.00 H new ATOM 0 HA ASN A 100 14.892 8.159 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.526 6.430 0.047 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.222 8.106 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.408 7.204 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.395 6.095 -1.589 1.00 0.00 H new ATOM 1437 N CYS A 101 13.490 6.694 3.250 1.00 0.00 N ATOM 1438 CA CYS A 101 13.046 6.871 4.627 1.00 0.00 C ATOM 1439 C CYS A 101 14.230 6.840 5.589 1.00 0.00 C ATOM 1440 O CYS A 101 14.212 7.494 6.632 1.00 0.00 O ATOM 1441 CB CYS A 101 12.040 5.781 5.004 1.00 0.00 C ATOM 1442 SG CYS A 101 10.323 6.156 4.523 1.00 0.00 S ATOM 0 H CYS A 101 13.611 5.721 2.968 1.00 0.00 H new ATOM 0 HA CYS A 101 12.563 7.845 4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.342 4.845 4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.078 5.623 6.082 1.00 0.00 H new ATOM 0 HG CYS A 101 9.681 5.047 4.306 1.00 0.00 H new ATOM 1447 N ARG A 102 15.257 6.077 5.231 1.00 0.00 N ATOM 1448 CA ARG A 102 16.449 5.960 6.062 1.00 0.00 C ATOM 1449 C ARG A 102 16.988 7.338 6.436 1.00 0.00 C ATOM 1450 O ARG A 102 17.522 7.531 7.529 1.00 0.00 O ATOM 1451 CB ARG A 102 17.529 5.160 5.332 1.00 0.00 C ATOM 1452 CG ARG A 102 18.497 6.024 4.540 1.00 0.00 C ATOM 1453 CD ARG A 102 19.560 5.182 3.852 1.00 0.00 C ATOM 1454 NE ARG A 102 20.580 4.716 4.787 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.676 4.064 4.415 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.892 3.803 3.133 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.558 3.672 5.325 1.00 0.00 N ATOM 0 H ARG A 102 15.288 5.530 4.370 1.00 0.00 H new ATOM 0 HA ARG A 102 16.173 5.435 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.090 4.575 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.050 4.452 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.947 6.598 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.975 6.742 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.089 4.324 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.032 5.768 3.063 1.00 0.00 H new ATOM 0 HE ARG A 102 20.443 4.901 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.216 4.103 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.734 3.302 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.395 3.871 6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.399 3.171 5.038 1.00 0.00 H new ATOM 1471 N ILE A 103 16.844 8.292 5.523 1.00 0.00 N ATOM 1472 CA ILE A 103 17.315 9.651 5.757 1.00 0.00 C ATOM 1473 C ILE A 103 16.957 10.122 7.163 1.00 0.00 C ATOM 1474 O ILE A 103 15.806 10.019 7.588 1.00 0.00 O ATOM 1475 CB ILE A 103 16.725 10.637 4.731 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.362 10.418 3.357 1.00 0.00 C ATOM 1477 CG2 ILE A 103 16.933 12.071 5.195 1.00 0.00 C ATOM 1478 CD1 ILE A 103 16.575 9.480 2.469 1.00 0.00 C ATOM 0 H ILE A 103 16.405 8.149 4.614 1.00 0.00 H new ATOM 0 HA ILE A 103 18.399 9.632 5.647 1.00 0.00 H new ATOM 0 HB ILE A 103 15.654 10.455 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 103 17.464 11.380 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 103 18.368 10.020 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.511 12.756 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 103 16.438 12.218 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.000 12.267 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.085 9.372 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 103 16.495 8.505 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.577 9.886 2.304 1.00 0.00 H new