USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 442 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 Single : A 1 ARG N :NH3+ 157:sc= 0.123 (180deg=-0.401) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -3.73! K(o=-3.7!,f=-2) USER MOD Single : A 8 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-6.8!) USER MOD Single : A 10 THR OG1 : rot 97:sc= -0.352! USER MOD Single : A 11 GLN : amide:sc= -9.84! C(o=-9.8!,f=-11!) USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.47 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.7!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.109 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.43! C(o=-1.4!,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.751 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.357 K(o=-0.36,f=0.55) USER MOD Single : A 64 THR OG1 : rot -53:sc= -1.12! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.892 14.793 -2.092 1.00 0.00 N ATOM 2 CA ARG A 1 3.430 13.572 -1.427 1.00 0.00 C ATOM 3 C ARG A 1 2.659 13.307 -0.133 1.00 0.00 C ATOM 4 O ARG A 1 2.641 14.125 0.765 1.00 0.00 O ATOM 5 CB ARG A 1 4.909 13.778 -1.101 1.00 0.00 C ATOM 6 CG ARG A 1 5.723 12.646 -1.724 1.00 0.00 C ATOM 7 CD ARG A 1 7.113 13.162 -2.102 1.00 0.00 C ATOM 8 NE ARG A 1 8.146 12.195 -1.636 1.00 0.00 N ATOM 9 CZ ARG A 1 9.098 11.818 -2.445 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.808 11.145 -3.525 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.340 12.112 -2.174 1.00 0.00 N ATOM 0 H1 ARG A 1 3.617 15.194 -2.720 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.051 14.542 -2.650 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.632 15.495 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 1 3.318 12.719 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.248 14.740 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.057 13.796 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.810 11.818 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.214 12.262 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.183 13.293 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.285 14.139 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 1 8.109 11.828 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.837 10.914 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.552 10.850 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.567 12.637 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.084 11.817 -2.807 1.00 0.00 H new ATOM 27 N GLU A 2 2.022 12.171 -0.024 1.00 0.00 N ATOM 28 CA GLU A 2 1.261 11.872 1.223 1.00 0.00 C ATOM 29 C GLU A 2 1.447 10.411 1.611 1.00 0.00 C ATOM 30 O GLU A 2 0.536 9.758 2.080 1.00 0.00 O ATOM 31 CB GLU A 2 -0.224 12.166 1.007 1.00 0.00 C ATOM 32 CG GLU A 2 -0.624 13.405 1.809 1.00 0.00 C ATOM 33 CD GLU A 2 -2.027 13.206 2.386 1.00 0.00 C ATOM 34 OE1 GLU A 2 -2.754 12.384 1.853 1.00 0.00 O ATOM 35 OE2 GLU A 2 -2.349 13.879 3.351 1.00 0.00 O ATOM 0 H GLU A 2 1.996 11.443 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 2 1.638 12.503 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.423 12.327 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.823 11.310 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.091 13.577 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.604 14.288 1.170 1.00 0.00 H new ATOM 42 N CYS A 3 2.628 9.904 1.433 1.00 0.00 N ATOM 43 CA CYS A 3 2.904 8.482 1.797 1.00 0.00 C ATOM 44 C CYS A 3 4.396 8.316 2.089 1.00 0.00 C ATOM 45 O CYS A 3 4.790 7.886 3.154 1.00 0.00 O ATOM 46 CB CYS A 3 2.503 7.552 0.641 1.00 0.00 C ATOM 47 SG CYS A 3 0.828 7.952 0.069 1.00 0.00 S ATOM 0 H CYS A 3 3.424 10.413 1.048 1.00 0.00 H new ATOM 0 HA CYS A 3 2.322 8.220 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.211 7.656 -0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.545 6.513 0.969 1.00 0.00 H new ATOM 52 N TYR A 4 5.222 8.664 1.145 1.00 0.00 N ATOM 53 CA TYR A 4 6.701 8.545 1.337 1.00 0.00 C ATOM 54 C TYR A 4 7.029 7.253 2.083 1.00 0.00 C ATOM 55 O TYR A 4 6.222 6.348 2.147 1.00 0.00 O ATOM 56 CB TYR A 4 7.233 9.749 2.133 1.00 0.00 C ATOM 57 CG TYR A 4 6.078 10.518 2.765 1.00 0.00 C ATOM 58 CD1 TYR A 4 5.452 11.549 2.054 1.00 0.00 C ATOM 59 CD2 TYR A 4 5.645 10.193 4.058 1.00 0.00 C ATOM 60 CE1 TYR A 4 4.392 12.258 2.636 1.00 0.00 C ATOM 61 CE2 TYR A 4 4.584 10.902 4.639 1.00 0.00 C ATOM 62 CZ TYR A 4 3.958 11.933 3.928 1.00 0.00 C ATOM 63 OH TYR A 4 2.914 12.631 4.501 1.00 0.00 O ATOM 0 H TYR A 4 4.937 9.030 0.237 1.00 0.00 H new ATOM 0 HA TYR A 4 7.179 8.527 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 4 7.918 9.407 2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.800 10.407 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.786 11.798 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.128 9.398 4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.910 13.055 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.250 10.653 5.635 1.00 0.00 H new ATOM 0 HH TYR A 4 2.739 12.279 5.399 1.00 0.00 H new ATOM 73 N LEU A 5 8.214 7.148 2.630 1.00 0.00 N ATOM 74 CA LEU A 5 8.587 5.905 3.350 1.00 0.00 C ATOM 75 C LEU A 5 8.615 4.749 2.364 1.00 0.00 C ATOM 76 O LEU A 5 7.628 4.084 2.144 1.00 0.00 O ATOM 77 CB LEU A 5 7.574 5.628 4.452 1.00 0.00 C ATOM 78 CG LEU A 5 7.922 6.468 5.682 1.00 0.00 C ATOM 79 CD1 LEU A 5 6.742 6.463 6.654 1.00 0.00 C ATOM 80 CD2 LEU A 5 9.152 5.876 6.373 1.00 0.00 C ATOM 0 H LEU A 5 8.934 7.870 2.606 1.00 0.00 H new ATOM 0 HA LEU A 5 9.573 6.020 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.569 5.868 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.579 4.568 4.708 1.00 0.00 H new ATOM 0 HG LEU A 5 8.135 7.491 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.990 7.062 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.865 6.884 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.529 5.439 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.400 6.474 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.939 4.852 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.994 5.879 5.681 1.00 0.00 H new ATOM 92 N ASN A 6 9.739 4.510 1.750 1.00 0.00 N ATOM 93 CA ASN A 6 9.804 3.399 0.761 1.00 0.00 C ATOM 94 C ASN A 6 10.871 2.365 1.142 1.00 0.00 C ATOM 95 O ASN A 6 11.708 2.024 0.329 1.00 0.00 O ATOM 96 CB ASN A 6 10.123 3.962 -0.625 1.00 0.00 C ATOM 97 CG ASN A 6 9.096 3.445 -1.638 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.779 4.123 -2.595 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.558 2.263 -1.471 1.00 0.00 N ATOM 0 H ASN A 6 10.606 5.029 1.887 1.00 0.00 H new ATOM 0 HA ASN A 6 8.834 2.903 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.106 5.052 -0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.128 3.666 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.875 1.914 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.822 1.691 -0.669 1.00 0.00 H new ATOM 106 N PRO A 7 10.786 1.855 2.345 1.00 0.00 N ATOM 107 CA PRO A 7 11.711 0.813 2.818 1.00 0.00 C ATOM 108 C PRO A 7 11.302 -0.508 2.168 1.00 0.00 C ATOM 109 O PRO A 7 12.112 -1.235 1.627 1.00 0.00 O ATOM 110 CB PRO A 7 11.484 0.782 4.331 1.00 0.00 C ATOM 111 CG PRO A 7 10.080 1.385 4.566 1.00 0.00 C ATOM 112 CD PRO A 7 9.773 2.263 3.337 1.00 0.00 C ATOM 0 HA PRO A 7 12.759 0.990 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.539 -0.238 4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.248 1.359 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.333 0.599 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.060 1.977 5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.762 2.093 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.852 3.324 3.575 1.00 0.00 H new ATOM 120 N HIS A 8 10.029 -0.792 2.193 1.00 0.00 N ATOM 121 CA HIS A 8 9.510 -2.032 1.554 1.00 0.00 C ATOM 122 C HIS A 8 8.039 -1.790 1.199 1.00 0.00 C ATOM 123 O HIS A 8 7.249 -2.698 1.042 1.00 0.00 O ATOM 124 CB HIS A 8 9.706 -3.238 2.513 1.00 0.00 C ATOM 125 CG HIS A 8 8.386 -3.861 2.915 1.00 0.00 C ATOM 126 ND1 HIS A 8 7.724 -4.782 2.114 1.00 0.00 N ATOM 127 CD2 HIS A 8 7.587 -3.684 4.017 1.00 0.00 C ATOM 128 CE1 HIS A 8 6.578 -5.116 2.738 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.447 -4.476 3.903 1.00 0.00 N ATOM 0 H HIS A 8 9.318 -0.209 2.635 1.00 0.00 H new ATOM 0 HA HIS A 8 10.054 -2.273 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.329 -3.989 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.239 -2.909 3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.809 -3.030 4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.855 -5.815 2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.677 -4.551 4.567 1.00 0.00 H new ATOM 137 N ASP A 9 7.676 -0.555 1.053 1.00 0.00 N ATOM 138 CA ASP A 9 6.265 -0.241 0.706 1.00 0.00 C ATOM 139 C ASP A 9 6.092 1.253 0.420 1.00 0.00 C ATOM 140 O ASP A 9 7.038 2.009 0.397 1.00 0.00 O ATOM 141 CB ASP A 9 5.364 -0.628 1.880 1.00 0.00 C ATOM 142 CG ASP A 9 4.719 -1.987 1.610 1.00 0.00 C ATOM 143 OD1 ASP A 9 3.750 -2.023 0.871 1.00 0.00 O ATOM 144 OD2 ASP A 9 5.205 -2.969 2.146 1.00 0.00 O ATOM 0 H ASP A 9 8.291 0.252 1.158 1.00 0.00 H new ATOM 0 HA ASP A 9 5.994 -0.803 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.947 -0.668 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.593 0.129 2.024 1.00 0.00 H new ATOM 149 N THR A 10 4.875 1.676 0.219 1.00 0.00 N ATOM 150 CA THR A 10 4.603 3.117 -0.050 1.00 0.00 C ATOM 151 C THR A 10 5.208 3.546 -1.391 1.00 0.00 C ATOM 152 O THR A 10 6.049 2.871 -1.948 1.00 0.00 O ATOM 153 CB THR A 10 5.199 3.955 1.078 1.00 0.00 C ATOM 154 OG1 THR A 10 5.569 3.095 2.146 1.00 0.00 O ATOM 155 CG2 THR A 10 4.155 4.948 1.567 1.00 0.00 C ATOM 0 H THR A 10 4.048 1.079 0.230 1.00 0.00 H new ATOM 0 HA THR A 10 3.525 3.270 -0.099 1.00 0.00 H new ATOM 0 HB THR A 10 6.076 4.494 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.525 2.889 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.575 5.550 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.859 5.599 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.283 4.407 1.934 1.00 0.00 H new ATOM 163 N GLN A 11 4.780 4.671 -1.910 1.00 0.00 N ATOM 164 CA GLN A 11 5.325 5.151 -3.206 1.00 0.00 C ATOM 165 C GLN A 11 5.037 6.652 -3.383 1.00 0.00 C ATOM 166 O GLN A 11 5.090 7.172 -4.479 1.00 0.00 O ATOM 167 CB GLN A 11 4.699 4.354 -4.359 1.00 0.00 C ATOM 168 CG GLN A 11 3.334 4.942 -4.725 1.00 0.00 C ATOM 169 CD GLN A 11 2.378 3.815 -5.122 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.409 2.745 -4.547 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.524 4.011 -6.090 1.00 0.00 N ATOM 0 H GLN A 11 4.075 5.275 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 11 6.405 5.001 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.358 4.377 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.588 3.309 -4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.927 5.496 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.440 5.649 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.498 4.909 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.883 3.266 -6.363 1.00 0.00 H new ATOM 180 N THR A 12 4.755 7.354 -2.315 1.00 0.00 N ATOM 181 CA THR A 12 4.492 8.819 -2.419 1.00 0.00 C ATOM 182 C THR A 12 3.326 9.121 -3.366 1.00 0.00 C ATOM 183 O THR A 12 3.122 8.462 -4.366 1.00 0.00 O ATOM 184 CB THR A 12 5.750 9.510 -2.940 1.00 0.00 C ATOM 185 OG1 THR A 12 5.827 9.361 -4.351 1.00 0.00 O ATOM 186 CG2 THR A 12 6.982 8.887 -2.286 1.00 0.00 C ATOM 0 H THR A 12 4.696 6.972 -1.371 1.00 0.00 H new ATOM 0 HA THR A 12 4.226 9.189 -1.429 1.00 0.00 H new ATOM 0 HB THR A 12 5.710 10.571 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.452 8.493 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.880 9.380 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.922 9.010 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.025 7.825 -2.528 1.00 0.00 H new ATOM 194 N CYS A 13 2.580 10.146 -3.050 1.00 0.00 N ATOM 195 CA CYS A 13 1.430 10.564 -3.905 1.00 0.00 C ATOM 196 C CYS A 13 1.568 12.066 -4.188 1.00 0.00 C ATOM 197 O CYS A 13 0.966 12.880 -3.514 1.00 0.00 O ATOM 198 CB CYS A 13 0.105 10.291 -3.167 1.00 0.00 C ATOM 199 SG CYS A 13 -1.235 11.298 -3.876 1.00 0.00 S ATOM 0 H CYS A 13 2.722 10.722 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 13 1.429 10.002 -4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.148 9.233 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.218 10.519 -2.107 1.00 0.00 H new ATOM 204 N PRO A 14 2.365 12.390 -5.172 1.00 0.00 N ATOM 205 CA PRO A 14 2.611 13.789 -5.563 1.00 0.00 C ATOM 206 C PRO A 14 1.433 14.334 -6.375 1.00 0.00 C ATOM 207 O PRO A 14 0.697 15.187 -5.922 1.00 0.00 O ATOM 208 CB PRO A 14 3.876 13.704 -6.420 1.00 0.00 C ATOM 209 CG PRO A 14 3.957 12.247 -6.936 1.00 0.00 C ATOM 210 CD PRO A 14 3.094 11.395 -5.985 1.00 0.00 C ATOM 0 HA PRO A 14 2.724 14.459 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.830 14.408 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.760 13.958 -5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.589 12.177 -7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.989 11.895 -6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.409 10.752 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.709 10.745 -5.363 1.00 0.00 H new ATOM 218 N SER A 15 1.250 13.849 -7.573 1.00 0.00 N ATOM 219 CA SER A 15 0.122 14.344 -8.412 1.00 0.00 C ATOM 220 C SER A 15 -1.019 13.325 -8.390 1.00 0.00 C ATOM 221 O SER A 15 -0.814 12.144 -8.587 1.00 0.00 O ATOM 222 CB SER A 15 0.604 14.536 -9.850 1.00 0.00 C ATOM 223 OG SER A 15 0.766 15.924 -10.108 1.00 0.00 O ATOM 0 H SER A 15 1.832 13.132 -8.006 1.00 0.00 H new ATOM 0 HA SER A 15 -0.234 15.295 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.548 14.013 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.115 14.106 -10.547 1.00 0.00 H new ATOM 0 HG SER A 15 1.077 16.052 -11.029 1.00 0.00 H new ATOM 229 N GLY A 16 -2.222 13.773 -8.153 1.00 0.00 N ATOM 230 CA GLY A 16 -3.376 12.831 -8.120 1.00 0.00 C ATOM 231 C GLY A 16 -4.318 13.213 -6.978 1.00 0.00 C ATOM 232 O GLY A 16 -4.386 14.355 -6.569 1.00 0.00 O ATOM 0 H GLY A 16 -2.455 14.751 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.910 12.860 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.021 11.809 -7.985 1.00 0.00 H new ATOM 236 N GLN A 17 -5.048 12.264 -6.457 1.00 0.00 N ATOM 237 CA GLN A 17 -5.986 12.571 -5.340 1.00 0.00 C ATOM 238 C GLN A 17 -5.180 12.889 -4.076 1.00 0.00 C ATOM 239 O GLN A 17 -4.037 13.295 -4.146 1.00 0.00 O ATOM 240 CB GLN A 17 -6.888 11.359 -5.095 1.00 0.00 C ATOM 241 CG GLN A 17 -7.725 11.084 -6.346 1.00 0.00 C ATOM 242 CD GLN A 17 -8.746 12.208 -6.535 1.00 0.00 C ATOM 243 OE1 GLN A 17 -8.981 12.989 -5.634 1.00 0.00 O ATOM 244 NE2 GLN A 17 -9.365 12.326 -7.678 1.00 0.00 N ATOM 0 H GLN A 17 -5.035 11.289 -6.757 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.603 13.432 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.283 10.486 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.540 11.544 -4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.079 11.015 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.236 10.126 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.168 11.671 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.046 13.073 -7.815 1.00 0.00 H new ATOM 253 N GLU A 18 -5.761 12.715 -2.918 1.00 0.00 N ATOM 254 CA GLU A 18 -5.019 13.017 -1.661 1.00 0.00 C ATOM 255 C GLU A 18 -5.109 11.822 -0.708 1.00 0.00 C ATOM 256 O GLU A 18 -4.816 11.933 0.467 1.00 0.00 O ATOM 257 CB GLU A 18 -5.634 14.249 -0.993 1.00 0.00 C ATOM 258 CG GLU A 18 -5.314 15.495 -1.821 1.00 0.00 C ATOM 259 CD GLU A 18 -6.068 16.698 -1.250 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.087 16.485 -0.613 1.00 0.00 O ATOM 261 OE2 GLU A 18 -5.614 17.810 -1.460 1.00 0.00 O ATOM 0 H GLU A 18 -6.715 12.378 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.973 13.211 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.713 14.126 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.242 14.361 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.241 15.686 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.598 15.335 -2.861 1.00 0.00 H new ATOM 268 N ILE A 19 -5.509 10.681 -1.199 1.00 0.00 N ATOM 269 CA ILE A 19 -5.613 9.486 -0.320 1.00 0.00 C ATOM 270 C ILE A 19 -4.427 8.566 -0.577 1.00 0.00 C ATOM 271 O ILE A 19 -3.808 8.601 -1.620 1.00 0.00 O ATOM 272 CB ILE A 19 -6.904 8.732 -0.631 1.00 0.00 C ATOM 273 CG1 ILE A 19 -8.062 9.745 -0.789 1.00 0.00 C ATOM 274 CG2 ILE A 19 -7.194 7.726 0.492 1.00 0.00 C ATOM 275 CD1 ILE A 19 -9.023 9.690 0.409 1.00 0.00 C ATOM 0 H ILE A 19 -5.768 10.526 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.617 9.804 0.722 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.801 8.179 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.656 10.752 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.610 9.533 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.116 7.188 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.369 7.017 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.303 8.257 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.825 10.414 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.448 8.689 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.479 9.927 1.323 1.00 0.00 H new ATOM 287 N CYS A 20 -4.121 7.741 0.372 1.00 0.00 N ATOM 288 CA CYS A 20 -2.982 6.792 0.212 1.00 0.00 C ATOM 289 C CYS A 20 -3.483 5.371 0.476 1.00 0.00 C ATOM 290 O CYS A 20 -3.835 5.023 1.584 1.00 0.00 O ATOM 291 CB CYS A 20 -1.870 7.145 1.207 1.00 0.00 C ATOM 292 SG CYS A 20 -0.308 6.391 0.675 1.00 0.00 S ATOM 0 H CYS A 20 -4.612 7.677 1.264 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.583 6.860 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.758 8.227 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.135 6.791 2.203 1.00 0.00 H new ATOM 297 N TYR A 21 -3.520 4.541 -0.525 1.00 0.00 N ATOM 298 CA TYR A 21 -4.009 3.155 -0.286 1.00 0.00 C ATOM 299 C TYR A 21 -2.801 2.257 -0.065 1.00 0.00 C ATOM 300 O TYR A 21 -1.710 2.556 -0.510 1.00 0.00 O ATOM 301 CB TYR A 21 -4.834 2.650 -1.481 1.00 0.00 C ATOM 302 CG TYR A 21 -3.944 2.090 -2.575 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.855 2.825 -3.064 1.00 0.00 C ATOM 304 CD2 TYR A 21 -4.220 0.820 -3.103 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.045 2.292 -4.076 1.00 0.00 C ATOM 306 CE2 TYR A 21 -3.410 0.288 -4.115 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.323 1.024 -4.601 1.00 0.00 C ATOM 308 OH TYR A 21 -1.526 0.500 -5.598 1.00 0.00 O ATOM 0 H TYR A 21 -3.239 4.754 -1.482 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.657 3.142 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.528 1.880 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.434 3.467 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.640 3.803 -2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.058 0.251 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.206 2.859 -4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.624 -0.690 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.856 -0.388 -5.848 1.00 0.00 H new ATOM 318 N VAL A 22 -2.964 1.175 0.634 1.00 0.00 N ATOM 319 CA VAL A 22 -1.788 0.304 0.881 1.00 0.00 C ATOM 320 C VAL A 22 -2.064 -1.117 0.382 1.00 0.00 C ATOM 321 O VAL A 22 -2.825 -1.860 0.971 1.00 0.00 O ATOM 322 CB VAL A 22 -1.484 0.300 2.380 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.381 1.748 2.879 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.610 -0.415 3.122 1.00 0.00 C ATOM 0 H VAL A 22 -3.845 0.859 1.040 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.925 0.687 0.337 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.542 -0.217 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.164 1.750 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.581 2.261 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.325 2.263 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.396 -0.419 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.551 0.104 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.688 -1.441 2.763 1.00 0.00 H new ATOM 334 N LYS A 23 -1.443 -1.499 -0.707 1.00 0.00 N ATOM 335 CA LYS A 23 -1.657 -2.869 -1.256 1.00 0.00 C ATOM 336 C LYS A 23 -0.448 -3.741 -0.919 1.00 0.00 C ATOM 337 O LYS A 23 0.684 -3.357 -1.135 1.00 0.00 O ATOM 338 CB LYS A 23 -1.822 -2.788 -2.775 1.00 0.00 C ATOM 339 CG LYS A 23 -2.443 -4.088 -3.288 1.00 0.00 C ATOM 340 CD LYS A 23 -2.831 -3.922 -4.759 1.00 0.00 C ATOM 341 CE LYS A 23 -1.698 -4.440 -5.646 1.00 0.00 C ATOM 342 NZ LYS A 23 -2.202 -4.620 -7.037 1.00 0.00 N ATOM 0 H LYS A 23 -0.796 -0.917 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.555 -3.304 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.455 -1.941 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.854 -2.622 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.735 -4.910 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.322 -4.342 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.750 -4.469 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.028 -2.873 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.864 -3.738 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.321 -5.387 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.433 -4.972 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.984 -5.305 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.541 -3.708 -7.404 1.00 0.00 H new ATOM 356 N SER A 24 -0.674 -4.910 -0.383 1.00 0.00 N ATOM 357 CA SER A 24 0.472 -5.791 -0.028 1.00 0.00 C ATOM 358 C SER A 24 0.170 -7.238 -0.425 1.00 0.00 C ATOM 359 O SER A 24 -0.761 -7.846 0.069 1.00 0.00 O ATOM 360 CB SER A 24 0.717 -5.721 1.480 1.00 0.00 C ATOM 361 OG SER A 24 -0.251 -4.869 2.075 1.00 0.00 O ATOM 0 H SER A 24 -1.598 -5.290 -0.177 1.00 0.00 H new ATOM 0 HA SER A 24 1.359 -5.453 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.657 -6.718 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.720 -5.345 1.680 1.00 0.00 H new ATOM 0 HG SER A 24 -0.097 -4.824 3.042 1.00 0.00 H new ATOM 367 N TRP A 25 0.948 -7.796 -1.315 1.00 0.00 N ATOM 368 CA TRP A 25 0.700 -9.209 -1.731 1.00 0.00 C ATOM 369 C TRP A 25 2.025 -9.928 -2.004 1.00 0.00 C ATOM 370 O TRP A 25 2.847 -9.469 -2.771 1.00 0.00 O ATOM 371 CB TRP A 25 -0.127 -9.215 -3.009 1.00 0.00 C ATOM 372 CG TRP A 25 0.647 -8.533 -4.073 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.285 -9.128 -5.103 1.00 0.00 C ATOM 374 CD2 TRP A 25 0.885 -7.125 -4.198 1.00 0.00 C ATOM 375 NE1 TRP A 25 1.882 -8.145 -5.879 1.00 0.00 N ATOM 376 CE2 TRP A 25 1.662 -6.888 -5.352 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.486 -6.042 -3.419 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.033 -5.592 -5.718 1.00 0.00 C ATOM 379 CZ3 TRP A 25 0.851 -4.752 -3.768 1.00 0.00 C ATOM 380 CH2 TRP A 25 1.626 -4.515 -4.918 1.00 0.00 C ATOM 0 H TRP A 25 1.739 -7.339 -1.769 1.00 0.00 H new ATOM 0 HA TRP A 25 0.171 -9.722 -0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.359 -10.238 -3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.078 -8.707 -2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.324 -10.191 -5.291 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.415 -8.327 -6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.113 -6.209 -2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.625 -5.422 -6.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.538 -3.922 -3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.907 -3.506 -5.184 1.00 0.00 H new ATOM 391 N CYS A 26 2.224 -11.066 -1.395 1.00 0.00 N ATOM 392 CA CYS A 26 3.480 -11.837 -1.628 1.00 0.00 C ATOM 393 C CYS A 26 3.162 -12.986 -2.597 1.00 0.00 C ATOM 394 O CYS A 26 2.014 -13.285 -2.861 1.00 0.00 O ATOM 395 CB CYS A 26 4.002 -12.368 -0.268 1.00 0.00 C ATOM 396 SG CYS A 26 4.771 -14.009 -0.429 1.00 0.00 S ATOM 0 H CYS A 26 1.568 -11.497 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 26 4.257 -11.211 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.728 -11.666 0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.176 -12.422 0.441 1.00 0.00 H new ATOM 401 N ASN A 27 4.164 -13.637 -3.120 1.00 0.00 N ATOM 402 CA ASN A 27 3.911 -14.766 -4.055 1.00 0.00 C ATOM 403 C ASN A 27 4.144 -16.080 -3.310 1.00 0.00 C ATOM 404 O ASN A 27 4.208 -16.110 -2.097 1.00 0.00 O ATOM 405 CB ASN A 27 4.870 -14.672 -5.244 1.00 0.00 C ATOM 406 CG ASN A 27 4.688 -13.322 -5.940 1.00 0.00 C ATOM 407 OD1 ASN A 27 5.476 -12.416 -5.751 1.00 0.00 O ATOM 408 ND2 ASN A 27 3.674 -13.147 -6.743 1.00 0.00 N ATOM 0 H ASN A 27 5.147 -13.435 -2.939 1.00 0.00 H new ATOM 0 HA ASN A 27 2.885 -14.723 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.900 -14.782 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.677 -15.484 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.543 -12.250 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.012 -13.907 -6.902 1.00 0.00 H new ATOM 415 N ALA A 28 4.258 -17.170 -4.013 1.00 0.00 N ATOM 416 CA ALA A 28 4.470 -18.472 -3.321 1.00 0.00 C ATOM 417 C ALA A 28 5.949 -18.670 -3.011 1.00 0.00 C ATOM 418 O ALA A 28 6.347 -19.675 -2.456 1.00 0.00 O ATOM 419 CB ALA A 28 3.976 -19.611 -4.215 1.00 0.00 C ATOM 0 H ALA A 28 4.214 -17.217 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 28 3.911 -18.472 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.131 -20.564 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.914 -19.478 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.531 -19.604 -5.153 1.00 0.00 H new ATOM 425 N TRP A 29 6.768 -17.735 -3.380 1.00 0.00 N ATOM 426 CA TRP A 29 8.222 -17.885 -3.127 1.00 0.00 C ATOM 427 C TRP A 29 8.840 -16.551 -2.691 1.00 0.00 C ATOM 428 O TRP A 29 10.035 -16.356 -2.800 1.00 0.00 O ATOM 429 CB TRP A 29 8.893 -18.342 -4.412 1.00 0.00 C ATOM 430 CG TRP A 29 8.331 -19.654 -4.847 1.00 0.00 C ATOM 431 CD1 TRP A 29 7.050 -19.902 -5.221 1.00 0.00 C ATOM 432 CD2 TRP A 29 9.037 -20.901 -4.966 1.00 0.00 C ATOM 433 NE1 TRP A 29 6.941 -21.242 -5.556 1.00 0.00 N ATOM 434 CE2 TRP A 29 8.148 -21.900 -5.414 1.00 0.00 C ATOM 435 CE3 TRP A 29 10.364 -21.241 -4.720 1.00 0.00 C ATOM 436 CZ2 TRP A 29 8.576 -23.214 -5.614 1.00 0.00 C ATOM 437 CZ3 TRP A 29 10.811 -22.559 -4.917 1.00 0.00 C ATOM 438 CH2 TRP A 29 9.916 -23.546 -5.365 1.00 0.00 C ATOM 0 H TRP A 29 6.494 -16.871 -3.847 1.00 0.00 H new ATOM 0 HA TRP A 29 8.370 -18.615 -2.331 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.744 -17.597 -5.194 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.968 -18.432 -4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.250 -19.177 -5.252 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.078 -21.687 -5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.055 -20.486 -4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 7.882 -23.967 -5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 11.843 -22.814 -4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.260 -24.559 -5.517 1.00 0.00 H new ATOM 449 N CYS A 30 8.054 -15.624 -2.205 1.00 0.00 N ATOM 450 CA CYS A 30 8.636 -14.313 -1.780 1.00 0.00 C ATOM 451 C CYS A 30 9.520 -14.463 -0.541 1.00 0.00 C ATOM 452 O CYS A 30 9.982 -13.477 -0.013 1.00 0.00 O ATOM 453 CB CYS A 30 7.536 -13.301 -1.473 1.00 0.00 C ATOM 454 SG CYS A 30 6.707 -13.734 0.081 1.00 0.00 S ATOM 0 H CYS A 30 7.045 -15.715 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 30 9.244 -13.957 -2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.962 -12.300 -1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.812 -13.281 -2.287 1.00 0.00 H new ATOM 459 N SER A 31 9.754 -15.663 -0.064 1.00 0.00 N ATOM 460 CA SER A 31 10.613 -15.827 1.149 1.00 0.00 C ATOM 461 C SER A 31 11.807 -14.882 1.030 1.00 0.00 C ATOM 462 O SER A 31 12.811 -15.202 0.424 1.00 0.00 O ATOM 463 CB SER A 31 11.108 -17.272 1.235 1.00 0.00 C ATOM 464 OG SER A 31 12.407 -17.289 1.812 1.00 0.00 O ATOM 0 H SER A 31 9.390 -16.529 -0.460 1.00 0.00 H new ATOM 0 HA SER A 31 10.041 -15.594 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.422 -17.868 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.133 -17.720 0.242 1.00 0.00 H new ATOM 0 HG SER A 31 12.727 -18.213 1.870 1.00 0.00 H new ATOM 470 N SER A 32 11.684 -13.703 1.576 1.00 0.00 N ATOM 471 CA SER A 32 12.780 -12.708 1.468 1.00 0.00 C ATOM 472 C SER A 32 13.323 -12.724 0.051 1.00 0.00 C ATOM 473 O SER A 32 14.432 -13.145 -0.210 1.00 0.00 O ATOM 474 CB SER A 32 13.898 -13.036 2.434 1.00 0.00 C ATOM 475 OG SER A 32 13.355 -13.600 3.620 1.00 0.00 O ATOM 0 H SER A 32 10.865 -13.388 2.095 1.00 0.00 H new ATOM 0 HA SER A 32 12.386 -11.721 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.596 -13.735 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.461 -12.134 2.673 1.00 0.00 H new ATOM 0 HG SER A 32 14.081 -13.813 4.243 1.00 0.00 H new ATOM 481 N ARG A 33 12.533 -12.266 -0.859 1.00 0.00 N ATOM 482 CA ARG A 33 12.966 -12.239 -2.285 1.00 0.00 C ATOM 483 C ARG A 33 12.629 -10.878 -2.904 1.00 0.00 C ATOM 484 O ARG A 33 13.335 -9.909 -2.707 1.00 0.00 O ATOM 485 CB ARG A 33 12.257 -13.355 -3.055 1.00 0.00 C ATOM 486 CG ARG A 33 13.039 -14.660 -2.893 1.00 0.00 C ATOM 487 CD ARG A 33 13.000 -15.446 -4.204 1.00 0.00 C ATOM 488 NE ARG A 33 14.293 -15.275 -4.925 1.00 0.00 N ATOM 489 CZ ARG A 33 14.411 -15.682 -6.159 1.00 0.00 C ATOM 490 NH1 ARG A 33 13.665 -16.659 -6.597 1.00 0.00 N ATOM 491 NH2 ARG A 33 15.274 -15.113 -6.954 1.00 0.00 N ATOM 0 H ARG A 33 11.596 -11.904 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 33 14.043 -12.394 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.240 -13.479 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.181 -13.092 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.071 -14.445 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.610 -15.255 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.821 -16.502 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.176 -15.096 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 33 15.086 -14.840 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.990 -17.104 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.757 -16.978 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.857 -14.350 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.366 -15.431 -7.919 1.00 0.00 H new ATOM 505 N GLY A 34 11.560 -10.791 -3.651 1.00 0.00 N ATOM 506 CA GLY A 34 11.195 -9.488 -4.275 1.00 0.00 C ATOM 507 C GLY A 34 9.736 -9.162 -3.957 1.00 0.00 C ATOM 508 O GLY A 34 8.945 -8.884 -4.836 1.00 0.00 O ATOM 0 H GLY A 34 10.926 -11.564 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.845 -8.698 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.341 -9.536 -5.354 1.00 0.00 H new ATOM 512 N LYS A 35 9.375 -9.194 -2.705 1.00 0.00 N ATOM 513 CA LYS A 35 7.968 -8.887 -2.329 1.00 0.00 C ATOM 514 C LYS A 35 7.498 -7.639 -3.078 1.00 0.00 C ATOM 515 O LYS A 35 8.214 -6.664 -3.189 1.00 0.00 O ATOM 516 CB LYS A 35 7.888 -8.633 -0.821 1.00 0.00 C ATOM 517 CG LYS A 35 7.734 -9.965 -0.084 1.00 0.00 C ATOM 518 CD LYS A 35 8.126 -9.786 1.384 1.00 0.00 C ATOM 519 CE LYS A 35 7.168 -8.800 2.055 1.00 0.00 C ATOM 520 NZ LYS A 35 7.430 -8.774 3.522 1.00 0.00 N ATOM 0 H LYS A 35 9.994 -9.420 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 35 7.331 -9.731 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.787 -8.119 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.044 -7.981 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.704 -10.315 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.362 -10.725 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.095 -10.746 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.150 -9.419 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.300 -7.804 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.135 -9.092 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.779 -8.104 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.283 -9.724 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.411 -8.476 3.694 1.00 0.00 H new ATOM 534 N VAL A 36 6.296 -7.657 -3.582 1.00 0.00 N ATOM 535 CA VAL A 36 5.774 -6.466 -4.310 1.00 0.00 C ATOM 536 C VAL A 36 4.772 -5.763 -3.403 1.00 0.00 C ATOM 537 O VAL A 36 3.611 -5.628 -3.725 1.00 0.00 O ATOM 538 CB VAL A 36 5.075 -6.897 -5.608 1.00 0.00 C ATOM 539 CG1 VAL A 36 5.465 -5.941 -6.737 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.494 -8.321 -5.986 1.00 0.00 C ATOM 0 H VAL A 36 5.652 -8.445 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 36 6.597 -5.799 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 36 3.996 -6.870 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.970 -6.246 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.158 -4.928 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.545 -5.968 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.992 -8.615 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.573 -8.356 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.215 -9.007 -5.186 1.00 0.00 H new ATOM 550 N LEU A 37 5.204 -5.344 -2.251 1.00 0.00 N ATOM 551 CA LEU A 37 4.281 -4.686 -1.303 1.00 0.00 C ATOM 552 C LEU A 37 4.523 -3.177 -1.287 1.00 0.00 C ATOM 553 O LEU A 37 5.484 -2.707 -0.717 1.00 0.00 O ATOM 554 CB LEU A 37 4.553 -5.260 0.083 1.00 0.00 C ATOM 555 CG LEU A 37 3.744 -6.543 0.272 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.886 -7.438 -0.967 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.249 -7.291 1.502 1.00 0.00 C ATOM 0 H LEU A 37 6.167 -5.432 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 37 3.248 -4.864 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.617 -5.468 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.284 -4.532 0.849 1.00 0.00 H new ATOM 0 HG LEU A 37 2.694 -6.285 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.307 -8.350 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.517 -6.906 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.936 -7.694 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.671 -8.205 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.301 -7.543 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.137 -6.660 2.383 1.00 0.00 H new ATOM 569 N GLU A 38 3.653 -2.415 -1.896 1.00 0.00 N ATOM 570 CA GLU A 38 3.826 -0.931 -1.895 1.00 0.00 C ATOM 571 C GLU A 38 2.476 -0.259 -1.657 1.00 0.00 C ATOM 572 O GLU A 38 1.430 -0.871 -1.766 1.00 0.00 O ATOM 573 CB GLU A 38 4.393 -0.436 -3.231 1.00 0.00 C ATOM 574 CG GLU A 38 4.772 -1.621 -4.125 1.00 0.00 C ATOM 575 CD GLU A 38 5.388 -1.103 -5.426 1.00 0.00 C ATOM 576 OE1 GLU A 38 4.693 -0.410 -6.152 1.00 0.00 O ATOM 577 OE2 GLU A 38 6.542 -1.408 -5.675 1.00 0.00 O ATOM 0 H GLU A 38 2.830 -2.755 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 38 4.526 -0.675 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.656 0.188 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.269 0.187 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.480 -2.269 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.890 -2.223 -4.342 1.00 0.00 H new ATOM 584 N PHE A 39 2.500 1.007 -1.365 1.00 0.00 N ATOM 585 CA PHE A 39 1.247 1.763 -1.145 1.00 0.00 C ATOM 586 C PHE A 39 1.295 2.989 -2.057 1.00 0.00 C ATOM 587 O PHE A 39 2.357 3.506 -2.343 1.00 0.00 O ATOM 588 CB PHE A 39 1.140 2.192 0.325 1.00 0.00 C ATOM 589 CG PHE A 39 1.510 1.030 1.223 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.090 -0.266 0.901 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.272 1.250 2.379 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.431 -1.343 1.729 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.614 0.171 3.210 1.00 0.00 C ATOM 594 CZ PHE A 39 2.194 -1.126 2.883 1.00 0.00 C ATOM 0 H PHE A 39 3.353 1.558 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 39 0.376 1.148 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.801 3.037 0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.125 2.525 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.501 -0.436 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.596 2.249 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.105 -2.341 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.201 0.340 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.459 -1.957 3.520 1.00 0.00 H new ATOM 604 N GLY A 40 0.180 3.448 -2.545 1.00 0.00 N ATOM 605 CA GLY A 40 0.226 4.619 -3.461 1.00 0.00 C ATOM 606 C GLY A 40 -0.835 5.644 -3.082 1.00 0.00 C ATOM 607 O GLY A 40 -1.166 5.826 -1.927 1.00 0.00 O ATOM 0 H GLY A 40 -0.748 3.071 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.213 5.079 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.069 4.289 -4.488 1.00 0.00 H new ATOM 611 N CYS A 41 -1.362 6.326 -4.059 1.00 0.00 N ATOM 612 CA CYS A 41 -2.385 7.352 -3.786 1.00 0.00 C ATOM 613 C CYS A 41 -3.749 6.750 -4.084 1.00 0.00 C ATOM 614 O CYS A 41 -3.872 5.582 -4.397 1.00 0.00 O ATOM 615 CB CYS A 41 -2.130 8.544 -4.705 1.00 0.00 C ATOM 616 SG CYS A 41 -2.822 10.053 -3.990 1.00 0.00 S ATOM 0 H CYS A 41 -1.120 6.210 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.347 7.681 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.058 8.667 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.576 8.360 -5.682 1.00 0.00 H new ATOM 621 N ALA A 42 -4.767 7.530 -3.989 1.00 0.00 N ATOM 622 CA ALA A 42 -6.132 7.002 -4.266 1.00 0.00 C ATOM 623 C ALA A 42 -7.193 8.019 -3.856 1.00 0.00 C ATOM 624 O ALA A 42 -6.900 9.118 -3.428 1.00 0.00 O ATOM 625 CB ALA A 42 -6.340 5.706 -3.480 1.00 0.00 C ATOM 0 H ALA A 42 -4.725 8.516 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.226 6.810 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.338 5.316 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.595 4.971 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.235 5.906 -2.414 1.00 0.00 H new ATOM 631 N ALA A 43 -8.429 7.643 -3.995 1.00 0.00 N ATOM 632 CA ALA A 43 -9.550 8.547 -3.636 1.00 0.00 C ATOM 633 C ALA A 43 -10.252 8.014 -2.384 1.00 0.00 C ATOM 634 O ALA A 43 -10.550 8.753 -1.466 1.00 0.00 O ATOM 635 CB ALA A 43 -10.546 8.596 -4.794 1.00 0.00 C ATOM 0 H ALA A 43 -8.715 6.730 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.166 9.548 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.372 9.259 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.047 8.970 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.931 7.594 -4.985 1.00 0.00 H new ATOM 641 N THR A 44 -10.518 6.736 -2.338 1.00 0.00 N ATOM 642 CA THR A 44 -11.198 6.161 -1.145 1.00 0.00 C ATOM 643 C THR A 44 -10.660 4.753 -0.869 1.00 0.00 C ATOM 644 O THR A 44 -10.333 4.011 -1.774 1.00 0.00 O ATOM 645 CB THR A 44 -12.707 6.093 -1.397 1.00 0.00 C ATOM 646 OG1 THR A 44 -13.294 5.161 -0.500 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.967 5.650 -2.839 1.00 0.00 C ATOM 0 H THR A 44 -10.294 6.067 -3.075 1.00 0.00 H new ATOM 0 HA THR A 44 -11.003 6.796 -0.281 1.00 0.00 H new ATOM 0 HB THR A 44 -13.147 7.078 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.260 5.118 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.041 5.602 -3.017 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.517 6.366 -3.526 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.528 4.666 -3.002 1.00 0.00 H new ATOM 655 N CYS A 45 -10.559 4.396 0.383 1.00 0.00 N ATOM 656 CA CYS A 45 -10.040 3.062 0.768 1.00 0.00 C ATOM 657 C CYS A 45 -10.507 1.982 -0.226 1.00 0.00 C ATOM 658 O CYS A 45 -11.691 1.839 -0.455 1.00 0.00 O ATOM 659 CB CYS A 45 -10.569 2.724 2.162 1.00 0.00 C ATOM 660 SG CYS A 45 -9.864 1.155 2.717 1.00 0.00 S ATOM 0 H CYS A 45 -10.822 4.990 1.169 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.950 3.086 0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.310 3.518 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.657 2.658 2.143 1.00 0.00 H new ATOM 665 N PRO A 46 -9.569 1.239 -0.785 1.00 0.00 N ATOM 666 CA PRO A 46 -9.881 0.161 -1.743 1.00 0.00 C ATOM 667 C PRO A 46 -10.283 -1.125 -1.009 1.00 0.00 C ATOM 668 O PRO A 46 -10.476 -1.131 0.192 1.00 0.00 O ATOM 669 CB PRO A 46 -8.571 -0.028 -2.511 1.00 0.00 C ATOM 670 CG PRO A 46 -7.445 0.546 -1.620 1.00 0.00 C ATOM 671 CD PRO A 46 -8.120 1.401 -0.530 1.00 0.00 C ATOM 0 HA PRO A 46 -10.721 0.402 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.396 -1.083 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.607 0.489 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.861 -0.258 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.756 1.149 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.851 1.058 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.818 2.446 -0.600 1.00 0.00 H new ATOM 679 N SER A 47 -10.420 -2.215 -1.723 1.00 0.00 N ATOM 680 CA SER A 47 -10.820 -3.494 -1.065 1.00 0.00 C ATOM 681 C SER A 47 -9.895 -4.630 -1.513 1.00 0.00 C ATOM 682 O SER A 47 -8.993 -4.442 -2.305 1.00 0.00 O ATOM 683 CB SER A 47 -12.260 -3.832 -1.452 1.00 0.00 C ATOM 684 OG SER A 47 -13.004 -2.629 -1.592 1.00 0.00 O ATOM 0 H SER A 47 -10.272 -2.273 -2.731 1.00 0.00 H new ATOM 0 HA SER A 47 -10.743 -3.378 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.275 -4.393 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.714 -4.467 -0.691 1.00 0.00 H new ATOM 0 HG SER A 47 -13.927 -2.843 -1.842 1.00 0.00 H new ATOM 690 N VAL A 48 -10.118 -5.817 -1.015 1.00 0.00 N ATOM 691 CA VAL A 48 -9.253 -6.966 -1.404 1.00 0.00 C ATOM 692 C VAL A 48 -9.892 -7.715 -2.573 1.00 0.00 C ATOM 693 O VAL A 48 -10.729 -8.577 -2.391 1.00 0.00 O ATOM 694 CB VAL A 48 -9.102 -7.907 -0.216 1.00 0.00 C ATOM 695 CG1 VAL A 48 -8.520 -9.244 -0.678 1.00 0.00 C ATOM 696 CG2 VAL A 48 -8.170 -7.275 0.819 1.00 0.00 C ATOM 0 H VAL A 48 -10.863 -6.040 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.272 -6.599 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.082 -8.080 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.415 -9.911 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.187 -9.697 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.542 -9.078 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.061 -7.948 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.193 -7.098 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.590 -6.328 1.157 1.00 0.00 H new ATOM 706 N ASN A 49 -9.509 -7.384 -3.775 1.00 0.00 N ATOM 707 CA ASN A 49 -10.090 -8.059 -4.958 1.00 0.00 C ATOM 708 C ASN A 49 -9.373 -9.389 -5.211 1.00 0.00 C ATOM 709 O ASN A 49 -9.783 -10.425 -4.730 1.00 0.00 O ATOM 710 CB ASN A 49 -9.939 -7.155 -6.184 1.00 0.00 C ATOM 711 CG ASN A 49 -10.417 -7.899 -7.432 1.00 0.00 C ATOM 712 OD1 ASN A 49 -10.901 -9.011 -7.343 1.00 0.00 O ATOM 713 ND2 ASN A 49 -10.302 -7.330 -8.601 1.00 0.00 N ATOM 0 H ASN A 49 -8.813 -6.669 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.146 -8.255 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.518 -6.242 -6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.897 -6.857 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.618 -7.818 -9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.896 -6.397 -8.676 1.00 0.00 H new ATOM 720 N THR A 50 -8.314 -9.364 -5.977 1.00 0.00 N ATOM 721 CA THR A 50 -7.568 -10.620 -6.283 1.00 0.00 C ATOM 722 C THR A 50 -6.749 -11.068 -5.067 1.00 0.00 C ATOM 723 O THR A 50 -5.547 -10.893 -5.035 1.00 0.00 O ATOM 724 CB THR A 50 -6.625 -10.370 -7.462 1.00 0.00 C ATOM 725 OG1 THR A 50 -5.945 -11.574 -7.786 1.00 0.00 O ATOM 726 CG2 THR A 50 -5.609 -9.291 -7.085 1.00 0.00 C ATOM 0 H THR A 50 -7.932 -8.522 -6.407 1.00 0.00 H new ATOM 0 HA THR A 50 -8.283 -11.403 -6.533 1.00 0.00 H new ATOM 0 HB THR A 50 -7.201 -10.036 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.342 -11.416 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.938 -9.114 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.133 -8.368 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.031 -9.621 -6.222 1.00 0.00 H new ATOM 734 N GLY A 51 -7.383 -11.651 -4.079 1.00 0.00 N ATOM 735 CA GLY A 51 -6.637 -12.119 -2.869 1.00 0.00 C ATOM 736 C GLY A 51 -5.507 -11.142 -2.544 1.00 0.00 C ATOM 737 O GLY A 51 -4.405 -11.535 -2.216 1.00 0.00 O ATOM 0 H GLY A 51 -8.388 -11.823 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.316 -12.198 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.229 -13.115 -3.045 1.00 0.00 H new ATOM 741 N THR A 52 -5.770 -9.870 -2.645 1.00 0.00 N ATOM 742 CA THR A 52 -4.713 -8.863 -2.356 1.00 0.00 C ATOM 743 C THR A 52 -4.958 -8.259 -0.968 1.00 0.00 C ATOM 744 O THR A 52 -6.081 -8.153 -0.519 1.00 0.00 O ATOM 745 CB THR A 52 -4.770 -7.771 -3.435 1.00 0.00 C ATOM 746 OG1 THR A 52 -4.044 -8.206 -4.576 1.00 0.00 O ATOM 747 CG2 THR A 52 -4.156 -6.472 -2.908 1.00 0.00 C ATOM 0 H THR A 52 -6.674 -9.483 -2.916 1.00 0.00 H new ATOM 0 HA THR A 52 -3.727 -9.328 -2.365 1.00 0.00 H new ATOM 0 HB THR A 52 -5.811 -7.587 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.078 -7.514 -5.269 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.203 -5.707 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.711 -6.136 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.116 -6.647 -2.633 1.00 0.00 H new ATOM 755 N GLU A 53 -3.914 -7.869 -0.280 1.00 0.00 N ATOM 756 CA GLU A 53 -4.098 -7.284 1.075 1.00 0.00 C ATOM 757 C GLU A 53 -4.098 -5.758 0.985 1.00 0.00 C ATOM 758 O GLU A 53 -3.101 -5.112 1.240 1.00 0.00 O ATOM 759 CB GLU A 53 -2.958 -7.740 1.987 1.00 0.00 C ATOM 760 CG GLU A 53 -2.615 -9.201 1.691 1.00 0.00 C ATOM 761 CD GLU A 53 -3.701 -10.108 2.270 1.00 0.00 C ATOM 762 OE1 GLU A 53 -4.773 -9.602 2.565 1.00 0.00 O ATOM 763 OE2 GLU A 53 -3.445 -11.293 2.409 1.00 0.00 O ATOM 0 H GLU A 53 -2.948 -7.932 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.051 -7.620 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.081 -7.112 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.248 -7.629 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.533 -9.355 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.647 -9.453 2.124 1.00 0.00 H new ATOM 770 N ILE A 54 -5.209 -5.172 0.629 1.00 0.00 N ATOM 771 CA ILE A 54 -5.263 -3.689 0.529 1.00 0.00 C ATOM 772 C ILE A 54 -5.904 -3.119 1.797 1.00 0.00 C ATOM 773 O ILE A 54 -6.681 -3.775 2.462 1.00 0.00 O ATOM 774 CB ILE A 54 -6.058 -3.286 -0.735 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.279 -2.211 -1.495 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.450 -2.747 -0.391 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.876 -2.044 -2.895 1.00 0.00 C ATOM 0 H ILE A 54 -6.078 -5.656 0.404 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.256 -3.280 0.441 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.187 -4.178 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.321 -1.265 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.228 -2.490 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.972 -2.476 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.017 -3.514 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.353 -1.866 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.322 -1.278 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.811 -2.989 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.921 -1.745 -2.812 1.00 0.00 H new ATOM 789 N LYS A 55 -5.585 -1.903 2.129 1.00 0.00 N ATOM 790 CA LYS A 55 -6.176 -1.289 3.346 1.00 0.00 C ATOM 791 C LYS A 55 -6.313 0.217 3.135 1.00 0.00 C ATOM 792 O LYS A 55 -5.979 0.742 2.085 1.00 0.00 O ATOM 793 CB LYS A 55 -5.273 -1.563 4.550 1.00 0.00 C ATOM 794 CG LYS A 55 -5.698 -2.874 5.213 1.00 0.00 C ATOM 795 CD LYS A 55 -6.442 -2.569 6.516 1.00 0.00 C ATOM 796 CE LYS A 55 -7.873 -3.100 6.422 1.00 0.00 C ATOM 797 NZ LYS A 55 -8.830 -2.007 6.756 1.00 0.00 N ATOM 0 H LYS A 55 -4.940 -1.307 1.610 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.160 -1.720 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.232 -1.624 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.341 -0.742 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.339 -3.443 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.823 -3.491 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.926 -3.030 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.453 -1.494 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.068 -3.475 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.007 -3.938 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.804 -2.367 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.648 -1.670 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.707 -1.221 6.086 1.00 0.00 H new ATOM 811 N CYS A 56 -6.799 0.915 4.124 1.00 0.00 N ATOM 812 CA CYS A 56 -6.974 2.386 3.986 1.00 0.00 C ATOM 813 C CYS A 56 -5.795 3.088 4.651 1.00 0.00 C ATOM 814 O CYS A 56 -5.440 2.802 5.778 1.00 0.00 O ATOM 815 CB CYS A 56 -8.274 2.826 4.675 1.00 0.00 C ATOM 816 SG CYS A 56 -9.476 1.468 4.673 1.00 0.00 S ATOM 0 H CYS A 56 -7.083 0.528 5.024 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.022 2.647 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.065 3.134 5.699 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.692 3.692 4.161 1.00 0.00 H new ATOM 821 N CYS A 57 -5.173 3.992 3.951 1.00 0.00 N ATOM 822 CA CYS A 57 -4.004 4.699 4.528 1.00 0.00 C ATOM 823 C CYS A 57 -3.950 6.124 4.003 1.00 0.00 C ATOM 824 O CYS A 57 -4.648 6.503 3.083 1.00 0.00 O ATOM 825 CB CYS A 57 -2.728 3.956 4.123 1.00 0.00 C ATOM 826 SG CYS A 57 -1.374 4.453 5.210 1.00 0.00 S ATOM 0 H CYS A 57 -5.426 4.271 3.003 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.092 4.725 5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.885 2.879 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.477 4.180 3.086 1.00 0.00 H new ATOM 831 N SER A 58 -3.125 6.914 4.599 1.00 0.00 N ATOM 832 CA SER A 58 -2.989 8.323 4.165 1.00 0.00 C ATOM 833 C SER A 58 -2.252 9.123 5.240 1.00 0.00 C ATOM 834 O SER A 58 -2.340 10.335 5.280 1.00 0.00 O ATOM 835 CB SER A 58 -4.376 8.923 3.939 1.00 0.00 C ATOM 836 OG SER A 58 -5.299 8.330 4.844 1.00 0.00 O ATOM 0 H SER A 58 -2.528 6.644 5.381 1.00 0.00 H new ATOM 0 HA SER A 58 -2.422 8.362 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.346 10.002 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.696 8.751 2.911 1.00 0.00 H new ATOM 0 HG SER A 58 -6.189 8.714 4.702 1.00 0.00 H new ATOM 842 N ALA A 59 -1.530 8.473 6.118 1.00 0.00 N ATOM 843 CA ALA A 59 -0.814 9.244 7.172 1.00 0.00 C ATOM 844 C ALA A 59 0.384 8.449 7.661 1.00 0.00 C ATOM 845 O ALA A 59 0.498 8.185 8.841 1.00 0.00 O ATOM 846 CB ALA A 59 -1.760 9.475 8.346 1.00 0.00 C ATOM 0 H ALA A 59 -1.408 7.461 6.149 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.480 10.197 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.244 10.039 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.630 10.037 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.082 8.514 8.748 1.00 0.00 H new ATOM 852 N ASP A 60 1.278 8.063 6.777 1.00 0.00 N ATOM 853 CA ASP A 60 2.459 7.272 7.205 1.00 0.00 C ATOM 854 C ASP A 60 2.003 6.314 8.312 1.00 0.00 C ATOM 855 O ASP A 60 2.710 6.001 9.250 1.00 0.00 O ATOM 856 CB ASP A 60 3.509 8.263 7.682 1.00 0.00 C ATOM 857 CG ASP A 60 4.520 7.591 8.613 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.836 6.436 8.377 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.959 8.241 9.547 1.00 0.00 O ATOM 0 H ASP A 60 1.232 8.266 5.779 1.00 0.00 H new ATOM 0 HA ASP A 60 2.890 6.672 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.028 8.689 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.024 9.089 8.203 1.00 0.00 H new ATOM 864 N LYS A 61 0.780 5.874 8.193 1.00 0.00 N ATOM 865 CA LYS A 61 0.193 4.968 9.202 1.00 0.00 C ATOM 866 C LYS A 61 -0.073 3.604 8.558 1.00 0.00 C ATOM 867 O LYS A 61 -0.522 2.678 9.204 1.00 0.00 O ATOM 868 CB LYS A 61 -1.117 5.595 9.717 1.00 0.00 C ATOM 869 CG LYS A 61 -2.139 4.511 10.077 1.00 0.00 C ATOM 870 CD LYS A 61 -3.446 5.169 10.524 1.00 0.00 C ATOM 871 CE LYS A 61 -3.368 5.501 12.016 1.00 0.00 C ATOM 872 NZ LYS A 61 -4.746 5.571 12.581 1.00 0.00 N ATOM 0 H LYS A 61 0.157 6.113 7.422 1.00 0.00 H new ATOM 0 HA LYS A 61 0.876 4.827 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.910 6.210 10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.533 6.254 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.320 3.867 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.748 3.877 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.624 6.077 9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.286 4.501 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.787 4.741 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.855 6.451 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.694 5.797 13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.286 6.311 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.220 4.654 12.454 1.00 0.00 H new ATOM 886 N CYS A 62 0.191 3.482 7.291 1.00 0.00 N ATOM 887 CA CYS A 62 -0.054 2.187 6.600 1.00 0.00 C ATOM 888 C CYS A 62 0.478 1.044 7.465 1.00 0.00 C ATOM 889 O CYS A 62 -0.134 0.001 7.579 1.00 0.00 O ATOM 890 CB CYS A 62 0.658 2.181 5.244 1.00 0.00 C ATOM 891 SG CYS A 62 0.297 3.715 4.343 1.00 0.00 S ATOM 0 H CYS A 62 0.567 4.224 6.701 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.125 2.057 6.441 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.734 2.080 5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.334 1.321 4.658 1.00 0.00 H new ATOM 896 N ASN A 63 1.613 1.234 8.077 1.00 0.00 N ATOM 897 CA ASN A 63 2.185 0.163 8.936 1.00 0.00 C ATOM 898 C ASN A 63 1.997 0.536 10.408 1.00 0.00 C ATOM 899 O ASN A 63 2.950 0.694 11.145 1.00 0.00 O ATOM 900 CB ASN A 63 3.677 0.009 8.634 1.00 0.00 C ATOM 901 CG ASN A 63 4.308 1.392 8.464 1.00 0.00 C ATOM 902 OD1 ASN A 63 4.383 2.157 9.405 1.00 0.00 O ATOM 903 ND2 ASN A 63 4.767 1.747 7.296 1.00 0.00 N ATOM 0 H ASN A 63 2.170 2.087 8.019 1.00 0.00 H new ATOM 0 HA ASN A 63 1.675 -0.778 8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.169 -0.530 9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.817 -0.580 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.189 2.667 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.704 1.104 6.506 1.00 0.00 H new ATOM 910 N THR A 64 0.775 0.683 10.842 1.00 0.00 N ATOM 911 CA THR A 64 0.531 1.048 12.266 1.00 0.00 C ATOM 912 C THR A 64 0.530 -0.212 13.132 1.00 0.00 C ATOM 913 O THR A 64 -0.468 -0.895 13.242 1.00 0.00 O ATOM 914 CB THR A 64 -0.815 1.751 12.388 1.00 0.00 C ATOM 915 OG1 THR A 64 -1.468 1.759 11.126 1.00 0.00 O ATOM 916 CG2 THR A 64 -0.567 3.182 12.853 1.00 0.00 C ATOM 0 H THR A 64 -0.064 0.566 10.273 1.00 0.00 H new ATOM 0 HA THR A 64 1.323 1.716 12.606 1.00 0.00 H new ATOM 0 HB THR A 64 -1.449 1.229 13.105 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.867 2.136 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.519 3.704 12.947 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.064 3.168 13.820 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.059 3.698 12.125 1.00 0.00 H new