USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0813 K(o=-0.081,f=-3.4!) USER MOD Single : A 8 MET CE :methyl -106:sc= -0.59 (180deg=-5.45!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -100:sc= 0.145 (180deg=-1.95!) USER MOD Single : A 16 TYR OH : rot 30:sc= -3.19! USER MOD Single : A 19 SER OG : rot 65:sc= -0.771 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.869 (180deg=0.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.0451 (180deg=-0.388) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 41 THR OG1 : rot 70:sc= 0.58 USER MOD Single : A 46 THR OG1 : rot -104:sc= 0.0686 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -39:sc= -4.76! USER MOD Single : A 54 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.9!) USER MOD Single : A 55 SER OG : rot 141:sc= 0.27 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -8.16! C(o=-8.2!,f=-5.1!) USER MOD Single : A 68 THR OG1 : rot 89:sc= -2.1! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.827 (180deg=0.651) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 9.535 4.549 -5.489 1.00 0.00 N ATOM 47 CA LEU A 4 8.099 4.458 -5.693 1.00 0.00 C ATOM 48 C LEU A 4 7.467 3.713 -4.516 1.00 0.00 C ATOM 49 O LEU A 4 6.247 3.567 -4.451 1.00 0.00 O ATOM 50 CB LEU A 4 7.790 3.831 -7.055 1.00 0.00 C ATOM 51 CG LEU A 4 7.781 2.301 -7.102 1.00 0.00 C ATOM 52 CD1 LEU A 4 9.088 1.728 -6.553 1.00 0.00 C ATOM 53 CD2 LEU A 4 6.557 1.739 -6.376 1.00 0.00 C ATOM 0 HA LEU A 4 7.654 5.453 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.816 4.191 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.525 4.193 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 4 7.708 1.991 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.055 0.639 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.924 2.091 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.218 2.045 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.574 0.650 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.575 2.057 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.649 2.109 -6.853 1.00 0.00 H new ATOM 65 N SER A 5 8.326 3.260 -3.614 1.00 0.00 N ATOM 66 CA SER A 5 7.866 2.534 -2.442 1.00 0.00 C ATOM 67 C SER A 5 6.827 3.364 -1.685 1.00 0.00 C ATOM 68 O SER A 5 5.828 2.830 -1.210 1.00 0.00 O ATOM 69 CB SER A 5 9.035 2.179 -1.521 1.00 0.00 C ATOM 70 OG SER A 5 9.003 0.812 -1.119 1.00 0.00 O ATOM 0 H SER A 5 9.337 3.382 -3.671 1.00 0.00 H new ATOM 0 HA SER A 5 7.405 1.604 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.975 2.384 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.007 2.817 -0.638 1.00 0.00 H new ATOM 0 HG SER A 5 9.766 0.625 -0.534 1.00 0.00 H new ATOM 76 N CYS A 6 7.101 4.657 -1.597 1.00 0.00 N ATOM 77 CA CYS A 6 6.202 5.567 -0.907 1.00 0.00 C ATOM 78 C CYS A 6 4.833 5.495 -1.585 1.00 0.00 C ATOM 79 O CYS A 6 3.816 5.307 -0.919 1.00 0.00 O ATOM 80 CB CYS A 6 6.752 6.994 -0.880 1.00 0.00 C ATOM 81 SG CYS A 6 5.487 8.301 -0.684 1.00 0.00 S ATOM 0 H CYS A 6 7.933 5.096 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 6 6.106 5.266 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.469 7.077 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.300 7.174 -1.805 1.00 0.00 H new ATOM 0 HG CYS A 6 6.065 9.466 -0.672 1.00 0.00 H new ATOM 86 N GLN A 7 4.850 5.650 -2.900 1.00 0.00 N ATOM 87 CA GLN A 7 3.622 5.606 -3.675 1.00 0.00 C ATOM 88 C GLN A 7 2.773 4.404 -3.256 1.00 0.00 C ATOM 89 O GLN A 7 1.585 4.548 -2.972 1.00 0.00 O ATOM 90 CB GLN A 7 3.921 5.570 -5.175 1.00 0.00 C ATOM 91 CG GLN A 7 3.229 6.726 -5.901 1.00 0.00 C ATOM 92 CD GLN A 7 1.813 6.334 -6.331 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.167 5.490 -5.732 1.00 0.00 O ATOM 94 NE2 GLN A 7 1.371 6.992 -7.398 1.00 0.00 N ATOM 0 H GLN A 7 5.695 5.806 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 7 3.055 6.515 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.997 5.627 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.586 4.621 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.186 7.597 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.813 7.012 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.965 7.686 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.438 6.803 -7.764 1.00 0.00 H new ATOM 103 N MET A 8 3.415 3.245 -3.231 1.00 0.00 N ATOM 104 CA MET A 8 2.734 2.020 -2.850 1.00 0.00 C ATOM 105 C MET A 8 1.919 2.220 -1.570 1.00 0.00 C ATOM 106 O MET A 8 0.776 1.774 -1.483 1.00 0.00 O ATOM 107 CB MET A 8 3.763 0.910 -2.633 1.00 0.00 C ATOM 108 CG MET A 8 4.498 0.580 -3.934 1.00 0.00 C ATOM 109 SD MET A 8 5.908 -0.460 -3.591 1.00 0.00 S ATOM 110 CE MET A 8 5.891 -1.495 -5.046 1.00 0.00 C ATOM 0 H MET A 8 4.400 3.129 -3.469 1.00 0.00 H new ATOM 0 HA MET A 8 2.051 1.742 -3.653 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.482 1.219 -1.874 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.265 0.017 -2.256 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.823 0.075 -4.625 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.823 1.499 -4.421 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.527 -2.488 -4.782 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.234 -1.056 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.901 -1.574 -5.448 1.00 0.00 H new ATOM 120 N CYS A 9 2.539 2.888 -0.610 1.00 0.00 N ATOM 121 CA CYS A 9 1.887 3.152 0.660 1.00 0.00 C ATOM 122 C CYS A 9 0.601 3.937 0.387 1.00 0.00 C ATOM 123 O CYS A 9 -0.371 3.822 1.131 1.00 0.00 O ATOM 124 CB CYS A 9 2.811 3.893 1.629 1.00 0.00 C ATOM 125 SG CYS A 9 2.670 5.717 1.583 1.00 0.00 S ATOM 0 H CYS A 9 3.488 3.255 -0.686 1.00 0.00 H new ATOM 0 HA CYS A 9 1.640 2.208 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.600 3.552 2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.842 3.617 1.408 1.00 0.00 H new ATOM 130 N GLU A 10 0.639 4.717 -0.685 1.00 0.00 N ATOM 131 CA GLU A 10 -0.509 5.520 -1.066 1.00 0.00 C ATOM 132 C GLU A 10 -1.506 4.676 -1.865 1.00 0.00 C ATOM 133 O GLU A 10 -2.607 5.131 -2.168 1.00 0.00 O ATOM 134 CB GLU A 10 -0.077 6.754 -1.860 1.00 0.00 C ATOM 135 CG GLU A 10 -0.351 6.568 -3.354 1.00 0.00 C ATOM 136 CD GLU A 10 -1.763 7.033 -3.715 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.185 8.060 -3.143 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.388 6.350 -4.555 1.00 0.00 O ATOM 0 H GLU A 10 1.447 4.809 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.001 5.867 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.611 7.631 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.985 6.939 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.380 7.131 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.231 5.518 -3.621 1.00 0.00 H new ATOM 146 N LEU A 11 -1.082 3.461 -2.181 1.00 0.00 N ATOM 147 CA LEU A 11 -1.924 2.549 -2.939 1.00 0.00 C ATOM 148 C LEU A 11 -2.775 1.726 -1.971 1.00 0.00 C ATOM 149 O LEU A 11 -3.978 1.574 -2.173 1.00 0.00 O ATOM 150 CB LEU A 11 -1.075 1.700 -3.886 1.00 0.00 C ATOM 151 CG LEU A 11 -1.815 0.592 -4.639 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.006 1.157 -5.415 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.860 -0.189 -5.544 1.00 0.00 C ATOM 0 H LEU A 11 -0.168 3.087 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.612 3.104 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.610 2.361 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.269 1.245 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.212 -0.111 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.514 0.349 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.700 1.631 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.654 1.894 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.412 -0.970 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.412 0.488 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.075 -0.642 -4.939 1.00 0.00 H new ATOM 165 N VAL A 12 -2.117 1.216 -0.940 1.00 0.00 N ATOM 166 CA VAL A 12 -2.800 0.411 0.059 1.00 0.00 C ATOM 167 C VAL A 12 -3.825 1.278 0.793 1.00 0.00 C ATOM 168 O VAL A 12 -4.999 0.921 0.874 1.00 0.00 O ATOM 169 CB VAL A 12 -1.777 -0.230 1.000 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.730 -1.022 0.215 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.115 0.822 1.891 1.00 0.00 C ATOM 0 H VAL A 12 -1.119 1.344 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.345 -0.406 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.309 -0.928 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.016 -1.467 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.222 -1.810 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.205 -0.354 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.393 0.339 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.604 1.557 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.876 1.321 2.491 1.00 0.00 H new ATOM 181 N VAL A 13 -3.344 2.401 1.307 1.00 0.00 N ATOM 182 CA VAL A 13 -4.205 3.321 2.030 1.00 0.00 C ATOM 183 C VAL A 13 -5.345 3.773 1.114 1.00 0.00 C ATOM 184 O VAL A 13 -6.515 3.574 1.431 1.00 0.00 O ATOM 185 CB VAL A 13 -3.380 4.487 2.579 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.393 4.006 3.646 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.654 5.223 1.452 1.00 0.00 C ATOM 0 H VAL A 13 -2.370 2.694 1.237 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.656 2.826 2.890 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.066 5.190 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.819 4.854 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.942 3.548 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.714 3.273 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.075 6.047 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.985 4.533 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.384 5.615 0.744 1.00 0.00 H new ATOM 197 N LYS A 14 -4.960 4.374 -0.002 1.00 0.00 N ATOM 198 CA LYS A 14 -5.934 4.856 -0.966 1.00 0.00 C ATOM 199 C LYS A 14 -6.998 3.779 -1.192 1.00 0.00 C ATOM 200 O LYS A 14 -8.153 4.092 -1.475 1.00 0.00 O ATOM 201 CB LYS A 14 -5.239 5.312 -2.250 1.00 0.00 C ATOM 202 CG LYS A 14 -6.259 5.769 -3.294 1.00 0.00 C ATOM 203 CD LYS A 14 -5.632 5.818 -4.689 1.00 0.00 C ATOM 204 CE LYS A 14 -5.977 4.562 -5.490 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.484 4.926 -6.832 1.00 0.00 N ATOM 0 H LYS A 14 -3.987 4.538 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.447 5.737 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.553 6.128 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.641 4.495 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.110 5.088 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.640 6.755 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.987 6.701 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.550 5.912 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.093 3.931 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.728 3.978 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.713 4.062 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.339 5.509 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.756 5.464 -7.344 1.00 0.00 H new ATOM 219 N LYS A 15 -6.569 2.533 -1.058 1.00 0.00 N ATOM 220 CA LYS A 15 -7.470 1.408 -1.244 1.00 0.00 C ATOM 221 C LYS A 15 -8.283 1.194 0.033 1.00 0.00 C ATOM 222 O LYS A 15 -9.467 0.863 -0.027 1.00 0.00 O ATOM 223 CB LYS A 15 -6.694 0.168 -1.694 1.00 0.00 C ATOM 224 CG LYS A 15 -6.306 0.270 -3.170 1.00 0.00 C ATOM 225 CD LYS A 15 -7.546 0.244 -4.067 1.00 0.00 C ATOM 226 CE LYS A 15 -7.164 -0.013 -5.525 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.375 -0.231 -6.348 1.00 0.00 N ATOM 0 H LYS A 15 -5.610 2.277 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.181 1.618 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.797 0.055 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.301 -0.723 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.749 1.191 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.645 -0.556 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.230 -0.532 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.076 1.193 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.601 0.835 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.513 -0.885 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.513 -1.251 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.204 0.162 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.260 0.243 -7.267 1.00 0.00 H new ATOM 241 N TYR A 16 -7.617 1.393 1.162 1.00 0.00 N ATOM 242 CA TYR A 16 -8.263 1.227 2.451 1.00 0.00 C ATOM 243 C TYR A 16 -9.163 2.421 2.773 1.00 0.00 C ATOM 244 O TYR A 16 -10.385 2.286 2.826 1.00 0.00 O ATOM 245 CB TYR A 16 -7.134 1.162 3.483 1.00 0.00 C ATOM 246 CG TYR A 16 -7.615 0.945 4.919 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.952 0.713 5.171 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.713 0.982 5.962 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.404 0.509 6.523 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.165 0.779 7.314 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.489 0.552 7.528 1.00 0.00 C ATOM 252 OH TYR A 16 -8.917 0.359 8.804 1.00 0.00 O ATOM 0 H TYR A 16 -6.636 1.668 1.209 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.886 0.333 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.454 0.354 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.561 2.088 3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.659 0.684 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.667 1.163 5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.447 0.326 6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.469 0.806 8.139 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.699 -0.231 8.801 1.00 0.00 H new ATOM 262 N GLU A 17 -8.524 3.564 2.979 1.00 0.00 N ATOM 263 CA GLU A 17 -9.253 4.781 3.293 1.00 0.00 C ATOM 264 C GLU A 17 -10.429 4.960 2.330 1.00 0.00 C ATOM 265 O GLU A 17 -11.492 5.437 2.726 1.00 0.00 O ATOM 266 CB GLU A 17 -8.326 5.998 3.258 1.00 0.00 C ATOM 267 CG GLU A 17 -7.904 6.325 1.824 1.00 0.00 C ATOM 268 CD GLU A 17 -9.030 7.033 1.069 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.833 7.709 1.749 1.00 0.00 O ATOM 270 OE2 GLU A 17 -9.062 6.884 -0.172 1.00 0.00 O ATOM 0 H GLU A 17 -7.511 3.673 2.935 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.648 4.694 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.832 6.858 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.442 5.804 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.017 6.958 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.633 5.407 1.303 1.00 0.00 H new ATOM 278 N GLY A 18 -10.199 4.567 1.086 1.00 0.00 N ATOM 279 CA GLY A 18 -11.226 4.678 0.065 1.00 0.00 C ATOM 280 C GLY A 18 -11.643 3.298 -0.446 1.00 0.00 C ATOM 281 O GLY A 18 -11.715 3.074 -1.653 1.00 0.00 O ATOM 0 H GLY A 18 -9.316 4.171 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.094 5.196 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.855 5.280 -0.765 1.00 0.00 H new ATOM 285 N SER A 19 -11.906 2.407 0.499 1.00 0.00 N ATOM 286 CA SER A 19 -12.314 1.054 0.160 1.00 0.00 C ATOM 287 C SER A 19 -13.836 0.929 0.247 1.00 0.00 C ATOM 288 O SER A 19 -14.481 0.482 -0.701 1.00 0.00 O ATOM 289 CB SER A 19 -11.644 0.031 1.078 1.00 0.00 C ATOM 290 OG SER A 19 -11.113 -1.074 0.350 1.00 0.00 O ATOM 0 H SER A 19 -11.844 2.596 1.499 1.00 0.00 H new ATOM 0 HA SER A 19 -11.997 0.847 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.843 0.515 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.369 -0.330 1.808 1.00 0.00 H new ATOM 0 HG SER A 19 -10.385 -0.765 -0.229 1.00 0.00 H new ATOM 296 N ALA A 20 -14.367 1.331 1.392 1.00 0.00 N ATOM 297 CA ALA A 20 -15.801 1.269 1.615 1.00 0.00 C ATOM 298 C ALA A 20 -16.186 -0.148 2.044 1.00 0.00 C ATOM 299 O ALA A 20 -17.342 -0.409 2.375 1.00 0.00 O ATOM 300 CB ALA A 20 -16.534 1.714 0.348 1.00 0.00 C ATOM 0 H ALA A 20 -13.829 1.701 2.176 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.094 1.947 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.610 1.668 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.249 2.737 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.266 1.055 -0.478 1.00 0.00 H new ATOM 306 N ASP A 21 -15.194 -1.027 2.025 1.00 0.00 N ATOM 307 CA ASP A 21 -15.414 -2.412 2.408 1.00 0.00 C ATOM 308 C ASP A 21 -14.792 -2.661 3.783 1.00 0.00 C ATOM 309 O ASP A 21 -15.082 -3.670 4.426 1.00 0.00 O ATOM 310 CB ASP A 21 -14.759 -3.370 1.412 1.00 0.00 C ATOM 311 CG ASP A 21 -15.613 -4.576 1.017 1.00 0.00 C ATOM 312 OD1 ASP A 21 -15.740 -5.483 1.868 1.00 0.00 O ATOM 313 OD2 ASP A 21 -16.118 -4.564 -0.126 1.00 0.00 O ATOM 0 H ASP A 21 -14.237 -0.807 1.751 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.489 -2.590 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.504 -2.814 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.823 -3.731 1.839 1.00 0.00 H new ATOM 319 N LYS A 22 -13.949 -1.725 4.195 1.00 0.00 N ATOM 320 CA LYS A 22 -13.283 -1.830 5.482 1.00 0.00 C ATOM 321 C LYS A 22 -12.705 -3.238 5.638 1.00 0.00 C ATOM 322 O LYS A 22 -12.825 -3.849 6.699 1.00 0.00 O ATOM 323 CB LYS A 22 -14.234 -1.429 6.611 1.00 0.00 C ATOM 324 CG LYS A 22 -14.896 -0.080 6.317 1.00 0.00 C ATOM 325 CD LYS A 22 -13.878 1.059 6.394 1.00 0.00 C ATOM 326 CE LYS A 22 -14.158 1.964 7.597 1.00 0.00 C ATOM 327 NZ LYS A 22 -12.892 2.476 8.166 1.00 0.00 N ATOM 0 H LYS A 22 -13.712 -0.890 3.660 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.447 -1.133 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.000 -2.195 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.685 -1.372 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.349 -0.101 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.700 0.098 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.872 0.648 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.914 1.646 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.790 2.798 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.707 1.409 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.100 3.088 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.302 1.677 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.383 3.023 7.443 1.00 0.00 H new ATOM 341 N ASP A 23 -12.088 -3.713 4.565 1.00 0.00 N ATOM 342 CA ASP A 23 -11.490 -5.037 4.569 1.00 0.00 C ATOM 343 C ASP A 23 -10.020 -4.929 4.160 1.00 0.00 C ATOM 344 O ASP A 23 -9.712 -4.520 3.041 1.00 0.00 O ATOM 345 CB ASP A 23 -12.192 -5.961 3.572 1.00 0.00 C ATOM 346 CG ASP A 23 -12.066 -7.455 3.877 1.00 0.00 C ATOM 347 OD1 ASP A 23 -11.170 -7.797 4.680 1.00 0.00 O ATOM 348 OD2 ASP A 23 -12.867 -8.222 3.301 1.00 0.00 O ATOM 0 H ASP A 23 -11.990 -3.204 3.687 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.589 -5.449 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.250 -5.700 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.787 -5.773 2.578 1.00 0.00 H new ATOM 354 N ALA A 24 -9.151 -5.303 5.086 1.00 0.00 N ATOM 355 CA ALA A 24 -7.721 -5.253 4.836 1.00 0.00 C ATOM 356 C ALA A 24 -7.339 -6.369 3.860 1.00 0.00 C ATOM 357 O ALA A 24 -6.194 -6.449 3.421 1.00 0.00 O ATOM 358 CB ALA A 24 -6.966 -5.356 6.163 1.00 0.00 C ATOM 0 H ALA A 24 -9.410 -5.643 6.012 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.445 -4.304 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.893 -5.318 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.251 -4.525 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.216 -6.298 6.652 1.00 0.00 H new ATOM 364 N ASN A 25 -8.322 -7.201 3.550 1.00 0.00 N ATOM 365 CA ASN A 25 -8.104 -8.308 2.635 1.00 0.00 C ATOM 366 C ASN A 25 -8.346 -7.834 1.201 1.00 0.00 C ATOM 367 O ASN A 25 -7.507 -8.038 0.326 1.00 0.00 O ATOM 368 CB ASN A 25 -9.071 -9.459 2.922 1.00 0.00 C ATOM 369 CG ASN A 25 -8.432 -10.493 3.850 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.614 -11.304 3.448 1.00 0.00 O ATOM 371 ND2 ASN A 25 -8.850 -10.420 5.110 1.00 0.00 N ATOM 0 H ASN A 25 -9.271 -7.131 3.916 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.080 -8.657 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.981 -9.069 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.362 -9.936 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.483 -11.068 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.537 -9.716 5.379 1.00 0.00 H new ATOM 378 N VAL A 26 -9.498 -7.210 1.004 1.00 0.00 N ATOM 379 CA VAL A 26 -9.862 -6.704 -0.309 1.00 0.00 C ATOM 380 C VAL A 26 -9.121 -5.391 -0.569 1.00 0.00 C ATOM 381 O VAL A 26 -9.145 -4.870 -1.682 1.00 0.00 O ATOM 382 CB VAL A 26 -11.382 -6.564 -0.414 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.842 -6.657 -1.870 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.090 -7.607 0.452 1.00 0.00 C ATOM 0 H VAL A 26 -10.192 -7.043 1.732 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.560 -7.407 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.654 -5.577 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.926 -6.554 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.377 -5.860 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.551 -7.623 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.169 -7.485 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.808 -8.607 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.798 -7.474 1.494 1.00 0.00 H new ATOM 394 N ILE A 27 -8.480 -4.893 0.479 1.00 0.00 N ATOM 395 CA ILE A 27 -7.733 -3.651 0.379 1.00 0.00 C ATOM 396 C ILE A 27 -6.332 -3.946 -0.158 1.00 0.00 C ATOM 397 O ILE A 27 -5.990 -3.541 -1.269 1.00 0.00 O ATOM 398 CB ILE A 27 -7.737 -2.914 1.720 1.00 0.00 C ATOM 399 CG1 ILE A 27 -9.060 -2.178 1.938 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.533 -1.977 1.833 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.207 -1.734 3.395 1.00 0.00 C ATOM 0 H ILE A 27 -8.463 -5.328 1.402 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.210 -2.975 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.646 -3.653 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.109 -1.309 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.891 -2.829 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.559 -1.465 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.613 -2.556 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.568 -1.241 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.156 -1.213 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.182 -2.608 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.388 -1.064 3.656 1.00 0.00 H new ATOM 413 N LYS A 28 -5.556 -4.647 0.656 1.00 0.00 N ATOM 414 CA LYS A 28 -4.199 -5.000 0.276 1.00 0.00 C ATOM 415 C LYS A 28 -4.218 -5.679 -1.095 1.00 0.00 C ATOM 416 O LYS A 28 -3.295 -5.504 -1.890 1.00 0.00 O ATOM 417 CB LYS A 28 -3.539 -5.841 1.371 1.00 0.00 C ATOM 418 CG LYS A 28 -3.977 -7.304 1.278 1.00 0.00 C ATOM 419 CD LYS A 28 -3.049 -8.208 2.090 1.00 0.00 C ATOM 420 CE LYS A 28 -3.233 -7.976 3.590 1.00 0.00 C ATOM 421 NZ LYS A 28 -4.622 -8.285 3.996 1.00 0.00 N ATOM 0 H LYS A 28 -5.841 -4.980 1.577 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.584 -4.105 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.455 -5.776 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.802 -5.441 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.999 -7.405 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.978 -7.621 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.253 -9.252 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.013 -8.014 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.537 -8.602 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.998 -6.940 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.626 -8.650 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.198 -7.420 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.020 -9.002 3.356 1.00 0.00 H new ATOM 435 N LYS A 29 -5.276 -6.439 -1.328 1.00 0.00 N ATOM 436 CA LYS A 29 -5.427 -7.145 -2.590 1.00 0.00 C ATOM 437 C LYS A 29 -5.611 -6.129 -3.719 1.00 0.00 C ATOM 438 O LYS A 29 -5.020 -6.271 -4.788 1.00 0.00 O ATOM 439 CB LYS A 29 -6.557 -8.172 -2.497 1.00 0.00 C ATOM 440 CG LYS A 29 -6.040 -9.508 -1.962 1.00 0.00 C ATOM 441 CD LYS A 29 -7.197 -10.397 -1.497 1.00 0.00 C ATOM 442 CE LYS A 29 -8.284 -10.485 -2.569 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.839 -11.345 -3.689 1.00 0.00 N ATOM 0 H LYS A 29 -6.038 -6.582 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.527 -7.715 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.344 -7.794 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.003 -8.318 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.473 -10.020 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.356 -9.331 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.824 -11.396 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.621 -9.997 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.199 -10.888 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.519 -9.487 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.589 -11.394 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.978 -10.945 -4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.637 -12.301 -3.333 1.00 0.00 H new ATOM 457 N ASP A 30 -6.432 -5.127 -3.443 1.00 0.00 N ATOM 458 CA ASP A 30 -6.700 -4.088 -4.423 1.00 0.00 C ATOM 459 C ASP A 30 -5.378 -3.466 -4.875 1.00 0.00 C ATOM 460 O ASP A 30 -5.133 -3.322 -6.071 1.00 0.00 O ATOM 461 CB ASP A 30 -7.565 -2.976 -3.824 1.00 0.00 C ATOM 462 CG ASP A 30 -8.853 -2.674 -4.592 1.00 0.00 C ATOM 463 OD1 ASP A 30 -8.884 -3.000 -5.799 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.779 -2.126 -3.956 1.00 0.00 O ATOM 0 H ASP A 30 -6.921 -5.012 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.227 -4.543 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.825 -3.250 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.971 -2.064 -3.768 1.00 0.00 H new ATOM 470 N PHE A 31 -4.561 -3.112 -3.894 1.00 0.00 N ATOM 471 CA PHE A 31 -3.269 -2.509 -4.175 1.00 0.00 C ATOM 472 C PHE A 31 -2.542 -3.265 -5.289 1.00 0.00 C ATOM 473 O PHE A 31 -2.128 -2.669 -6.282 1.00 0.00 O ATOM 474 CB PHE A 31 -2.444 -2.598 -2.891 1.00 0.00 C ATOM 475 CG PHE A 31 -0.952 -2.320 -3.089 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.145 -3.282 -3.614 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.433 -1.113 -2.741 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.239 -3.024 -3.798 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.951 -0.855 -2.926 1.00 0.00 C ATOM 480 CZ PHE A 31 1.758 -1.815 -3.450 1.00 0.00 C ATOM 0 H PHE A 31 -4.769 -3.231 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.403 -1.477 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.842 -1.888 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.564 -3.593 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.557 -4.241 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.073 -0.350 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.880 -3.787 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.363 0.105 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.811 -1.618 -3.590 1.00 0.00 H new ATOM 490 N ASP A 32 -2.409 -4.567 -5.087 1.00 0.00 N ATOM 491 CA ASP A 32 -1.739 -5.412 -6.060 1.00 0.00 C ATOM 492 C ASP A 32 -2.473 -5.321 -7.399 1.00 0.00 C ATOM 493 O ASP A 32 -1.887 -5.573 -8.451 1.00 0.00 O ATOM 494 CB ASP A 32 -1.745 -6.877 -5.617 1.00 0.00 C ATOM 495 CG ASP A 32 -0.379 -7.565 -5.643 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.552 -6.958 -6.215 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.297 -8.684 -5.091 1.00 0.00 O ATOM 0 H ASP A 32 -2.754 -5.058 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.709 -5.068 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.144 -6.933 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.427 -7.433 -6.260 1.00 0.00 H new ATOM 503 N ALA A 33 -3.746 -4.959 -7.316 1.00 0.00 N ATOM 504 CA ALA A 33 -4.566 -4.832 -8.509 1.00 0.00 C ATOM 505 C ALA A 33 -4.141 -3.582 -9.283 1.00 0.00 C ATOM 506 O ALA A 33 -3.575 -3.684 -10.371 1.00 0.00 O ATOM 507 CB ALA A 33 -6.044 -4.797 -8.111 1.00 0.00 C ATOM 0 H ALA A 33 -4.229 -4.750 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.425 -5.691 -9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.660 -4.702 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.302 -5.719 -7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.224 -3.946 -7.454 1.00 0.00 H new ATOM 513 N GLU A 34 -4.432 -2.432 -8.694 1.00 0.00 N ATOM 514 CA GLU A 34 -4.087 -1.165 -9.315 1.00 0.00 C ATOM 515 C GLU A 34 -2.599 -1.133 -9.668 1.00 0.00 C ATOM 516 O GLU A 34 -2.195 -0.454 -10.611 1.00 0.00 O ATOM 517 CB GLU A 34 -4.460 0.010 -8.407 1.00 0.00 C ATOM 518 CG GLU A 34 -4.131 1.346 -9.077 1.00 0.00 C ATOM 519 CD GLU A 34 -4.813 1.458 -10.442 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.062 1.433 -10.456 1.00 0.00 O ATOM 521 OE2 GLU A 34 -4.069 1.567 -11.441 1.00 0.00 O ATOM 0 H GLU A 34 -4.903 -2.351 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.661 -1.067 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.524 -0.031 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.921 -0.070 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.454 2.167 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.052 1.441 -9.197 1.00 0.00 H new ATOM 529 N CYS A 35 -1.824 -1.878 -8.893 1.00 0.00 N ATOM 530 CA CYS A 35 -0.389 -1.945 -9.112 1.00 0.00 C ATOM 531 C CYS A 35 -0.133 -2.784 -10.365 1.00 0.00 C ATOM 532 O CYS A 35 0.658 -2.397 -11.224 1.00 0.00 O ATOM 533 CB CYS A 35 0.344 -2.504 -7.891 1.00 0.00 C ATOM 534 SG CYS A 35 1.898 -3.391 -8.269 1.00 0.00 S ATOM 0 H CYS A 35 -2.163 -2.440 -8.113 1.00 0.00 H new ATOM 0 HA CYS A 35 0.006 -0.940 -9.262 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.568 -1.682 -7.211 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.325 -3.182 -7.362 1.00 0.00 H new ATOM 539 N LYS A 36 -0.817 -3.916 -10.430 1.00 0.00 N ATOM 540 CA LYS A 36 -0.674 -4.813 -11.565 1.00 0.00 C ATOM 541 C LYS A 36 -0.906 -4.033 -12.860 1.00 0.00 C ATOM 542 O LYS A 36 -0.490 -4.465 -13.933 1.00 0.00 O ATOM 543 CB LYS A 36 -1.590 -6.028 -11.406 1.00 0.00 C ATOM 544 CG LYS A 36 -0.869 -7.168 -10.684 1.00 0.00 C ATOM 545 CD LYS A 36 0.236 -7.762 -11.561 1.00 0.00 C ATOM 546 CE LYS A 36 0.278 -9.286 -11.432 1.00 0.00 C ATOM 547 NZ LYS A 36 -0.940 -9.891 -12.016 1.00 0.00 N ATOM 0 H LYS A 36 -1.472 -4.233 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 36 0.340 -5.211 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.482 -5.745 -10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.923 -6.367 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.440 -6.799 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.585 -7.946 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.067 -7.486 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.200 -7.342 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.162 -9.675 -11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.362 -9.565 -10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.732 -10.862 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.695 -9.909 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.250 -9.327 -12.833 1.00 0.00 H new ATOM 561 N LYS A 37 -1.569 -2.895 -12.716 1.00 0.00 N ATOM 562 CA LYS A 37 -1.862 -2.049 -13.861 1.00 0.00 C ATOM 563 C LYS A 37 -0.968 -0.809 -13.815 1.00 0.00 C ATOM 564 O LYS A 37 -0.412 -0.401 -14.834 1.00 0.00 O ATOM 565 CB LYS A 37 -3.357 -1.728 -13.921 1.00 0.00 C ATOM 566 CG LYS A 37 -4.196 -3.002 -13.805 1.00 0.00 C ATOM 567 CD LYS A 37 -5.668 -2.668 -13.555 1.00 0.00 C ATOM 568 CE LYS A 37 -6.303 -2.026 -14.791 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.781 -3.066 -15.728 1.00 0.00 N ATOM 0 H LYS A 37 -1.912 -2.539 -11.824 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.634 -2.572 -14.790 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.618 -1.042 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.587 -1.221 -14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.103 -3.588 -14.719 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.816 -3.619 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.211 -3.576 -13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.752 -1.990 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.135 -1.389 -14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.575 -1.386 -15.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.209 -2.613 -16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.980 -3.657 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.491 -3.660 -15.254 1.00 0.00 H new ATOM 583 N LEU A 38 -0.858 -0.241 -12.622 1.00 0.00 N ATOM 584 CA LEU A 38 -0.041 0.945 -12.430 1.00 0.00 C ATOM 585 C LEU A 38 1.425 0.600 -12.704 1.00 0.00 C ATOM 586 O LEU A 38 2.021 1.114 -13.650 1.00 0.00 O ATOM 587 CB LEU A 38 -0.283 1.543 -11.043 1.00 0.00 C ATOM 588 CG LEU A 38 0.815 2.466 -10.510 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.101 3.604 -11.493 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.464 2.987 -9.116 1.00 0.00 C ATOM 0 H LEU A 38 -1.321 -0.581 -11.779 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.324 1.721 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.219 2.101 -11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.418 0.725 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 38 1.733 1.885 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.885 4.245 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.427 3.188 -12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.195 4.191 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.261 3.640 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.471 3.546 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.351 2.147 -8.431 1.00 0.00 H new ATOM 602 N PHE A 39 1.962 -0.269 -11.860 1.00 0.00 N ATOM 603 CA PHE A 39 3.346 -0.689 -12.000 1.00 0.00 C ATOM 604 C PHE A 39 3.461 -1.903 -12.923 1.00 0.00 C ATOM 605 O PHE A 39 4.327 -2.755 -12.731 1.00 0.00 O ATOM 606 CB PHE A 39 3.839 -1.076 -10.604 1.00 0.00 C ATOM 607 CG PHE A 39 3.588 -0.008 -9.538 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.453 1.032 -9.400 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.501 -0.100 -8.726 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.221 2.024 -8.410 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.268 0.891 -7.735 1.00 0.00 C ATOM 612 CZ PHE A 39 3.133 1.932 -7.598 1.00 0.00 C ATOM 0 H PHE A 39 1.464 -0.693 -11.077 1.00 0.00 H new ATOM 0 HA PHE A 39 3.938 0.118 -12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.348 -2.001 -10.300 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.908 -1.283 -10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.317 1.104 -10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.815 -0.927 -8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.908 2.851 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.404 0.818 -7.091 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.956 2.685 -6.845 1.00 0.00 H new ATOM 622 N HIS A 40 2.574 -1.944 -13.907 1.00 0.00 N ATOM 623 CA HIS A 40 2.564 -3.039 -14.861 1.00 0.00 C ATOM 624 C HIS A 40 3.825 -2.979 -15.725 1.00 0.00 C ATOM 625 O HIS A 40 4.240 -3.988 -16.294 1.00 0.00 O ATOM 626 CB HIS A 40 1.277 -3.028 -15.688 1.00 0.00 C ATOM 627 CG HIS A 40 1.488 -2.696 -17.147 1.00 0.00 C ATOM 628 ND1 HIS A 40 0.930 -1.584 -17.751 1.00 0.00 N ATOM 629 CD2 HIS A 40 2.201 -3.343 -18.114 1.00 0.00 C ATOM 630 CE1 HIS A 40 1.296 -1.570 -19.024 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.084 -2.662 -19.247 1.00 0.00 N ATOM 0 H HIS A 40 1.857 -1.236 -14.064 1.00 0.00 H new ATOM 0 HA HIS A 40 2.576 -3.990 -14.328 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.801 -4.006 -15.613 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.586 -2.303 -15.257 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.765 -4.254 -17.980 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.020 -0.826 -19.756 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.512 -2.913 -20.138 1.00 0.00 H new ATOM 640 N THR A 41 4.399 -1.787 -15.794 1.00 0.00 N ATOM 641 CA THR A 41 5.606 -1.582 -16.579 1.00 0.00 C ATOM 642 C THR A 41 6.769 -1.178 -15.672 1.00 0.00 C ATOM 643 O THR A 41 7.328 -0.092 -15.819 1.00 0.00 O ATOM 644 CB THR A 41 5.293 -0.550 -17.663 1.00 0.00 C ATOM 645 OG1 THR A 41 5.013 0.643 -16.937 1.00 0.00 O ATOM 646 CG2 THR A 41 3.988 -0.852 -18.402 1.00 0.00 C ATOM 0 H THR A 41 4.052 -0.953 -15.320 1.00 0.00 H new ATOM 0 HA THR A 41 5.922 -2.503 -17.068 1.00 0.00 H new ATOM 0 HB THR A 41 6.115 -0.516 -18.378 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.839 0.980 -16.531 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.814 -0.089 -19.160 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.058 -1.829 -18.880 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.160 -0.854 -17.693 1.00 0.00 H new ATOM 654 N ILE A 42 7.101 -2.074 -14.755 1.00 0.00 N ATOM 655 CA ILE A 42 8.189 -1.824 -13.824 1.00 0.00 C ATOM 656 C ILE A 42 8.900 -3.143 -13.511 1.00 0.00 C ATOM 657 O ILE A 42 8.261 -4.191 -13.420 1.00 0.00 O ATOM 658 CB ILE A 42 7.675 -1.094 -12.581 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.255 0.337 -12.922 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.708 -1.136 -11.454 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.170 1.198 -11.660 1.00 0.00 C ATOM 0 H ILE A 42 6.636 -2.974 -14.636 1.00 0.00 H new ATOM 0 HA ILE A 42 8.928 -1.160 -14.273 1.00 0.00 H new ATOM 0 HB ILE A 42 6.787 -1.614 -12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.971 0.774 -13.617 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.288 0.326 -13.425 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.318 -0.610 -10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.916 -2.173 -11.189 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.628 -0.655 -11.786 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.870 2.210 -11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.435 0.771 -10.977 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.145 1.226 -11.173 1.00 0.00 H new ATOM 673 N PRO A 43 10.247 -3.046 -13.352 1.00 0.00 N ATOM 674 CA PRO A 43 11.051 -4.218 -13.052 1.00 0.00 C ATOM 675 C PRO A 43 10.874 -4.646 -11.593 1.00 0.00 C ATOM 676 O PRO A 43 11.385 -3.991 -10.685 1.00 0.00 O ATOM 677 CB PRO A 43 12.478 -3.811 -13.382 1.00 0.00 C ATOM 678 CG PRO A 43 12.482 -2.291 -13.412 1.00 0.00 C ATOM 679 CD PRO A 43 11.037 -1.822 -13.452 1.00 0.00 C ATOM 0 HA PRO A 43 10.755 -5.091 -13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.175 -4.189 -12.634 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.789 -4.221 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.988 -1.893 -12.532 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.026 -1.928 -14.284 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.819 -1.141 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.820 -1.285 -14.376 1.00 0.00 H new ATOM 687 N PHE A 44 10.151 -5.741 -11.414 1.00 0.00 N ATOM 688 CA PHE A 44 9.901 -6.263 -10.082 1.00 0.00 C ATOM 689 C PHE A 44 8.825 -5.445 -9.365 1.00 0.00 C ATOM 690 O PHE A 44 8.445 -5.762 -8.240 1.00 0.00 O ATOM 691 CB PHE A 44 11.213 -6.150 -9.303 1.00 0.00 C ATOM 692 CG PHE A 44 12.462 -6.410 -10.149 1.00 0.00 C ATOM 693 CD1 PHE A 44 12.516 -7.494 -10.967 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.518 -5.555 -10.081 1.00 0.00 C ATOM 695 CE1 PHE A 44 13.675 -7.735 -11.751 1.00 0.00 C ATOM 696 CE2 PHE A 44 14.677 -5.796 -10.866 1.00 0.00 C ATOM 697 CZ PHE A 44 14.731 -6.881 -11.684 1.00 0.00 C ATOM 0 H PHE A 44 9.730 -6.281 -12.170 1.00 0.00 H new ATOM 0 HA PHE A 44 9.553 -7.294 -10.147 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.282 -5.152 -8.869 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.194 -6.858 -8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.677 -8.172 -11.021 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.475 -4.694 -9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.718 -8.597 -12.401 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.516 -5.117 -10.813 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.613 -7.064 -12.280 1.00 0.00 H new ATOM 707 N GLY A 45 8.364 -4.406 -10.047 1.00 0.00 N ATOM 708 CA GLY A 45 7.339 -3.540 -9.490 1.00 0.00 C ATOM 709 C GLY A 45 6.149 -4.356 -8.981 1.00 0.00 C ATOM 710 O GLY A 45 5.645 -4.109 -7.886 1.00 0.00 O ATOM 0 H GLY A 45 8.682 -4.145 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.758 -2.953 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.002 -2.834 -10.249 1.00 0.00 H new ATOM 714 N THR A 46 5.733 -5.311 -9.800 1.00 0.00 N ATOM 715 CA THR A 46 4.612 -6.165 -9.445 1.00 0.00 C ATOM 716 C THR A 46 5.007 -7.125 -8.322 1.00 0.00 C ATOM 717 O THR A 46 4.175 -7.494 -7.496 1.00 0.00 O ATOM 718 CB THR A 46 4.140 -6.875 -10.716 1.00 0.00 C ATOM 719 OG1 THR A 46 5.341 -7.366 -11.305 1.00 0.00 O ATOM 720 CG2 THR A 46 3.584 -5.904 -11.758 1.00 0.00 C ATOM 0 H THR A 46 6.152 -5.512 -10.708 1.00 0.00 H new ATOM 0 HA THR A 46 3.779 -5.583 -9.052 1.00 0.00 H new ATOM 0 HB THR A 46 3.375 -7.608 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.585 -6.803 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.264 -6.460 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.733 -5.368 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.358 -5.191 -12.041 1.00 0.00 H new ATOM 728 N ARG A 47 6.277 -7.502 -8.329 1.00 0.00 N ATOM 729 CA ARG A 47 6.792 -8.413 -7.321 1.00 0.00 C ATOM 730 C ARG A 47 6.748 -7.756 -5.939 1.00 0.00 C ATOM 731 O ARG A 47 6.075 -8.247 -5.035 1.00 0.00 O ATOM 732 CB ARG A 47 8.230 -8.828 -7.636 1.00 0.00 C ATOM 733 CG ARG A 47 8.283 -9.732 -8.869 1.00 0.00 C ATOM 734 CD ARG A 47 7.701 -11.114 -8.560 1.00 0.00 C ATOM 735 NE ARG A 47 8.795 -12.099 -8.398 1.00 0.00 N ATOM 736 CZ ARG A 47 8.654 -13.283 -7.789 1.00 0.00 C ATOM 737 NH1 ARG A 47 7.467 -13.639 -7.280 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.701 -14.113 -7.688 1.00 0.00 N ATOM 0 H ARG A 47 6.964 -7.193 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 47 6.161 -9.302 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.840 -7.940 -7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.657 -9.350 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.726 -9.273 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.315 -9.835 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.102 -11.070 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.036 -11.426 -9.365 1.00 0.00 H new ATOM 0 HE ARG A 47 9.713 -11.861 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.669 -13.008 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.361 -14.541 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.605 -13.843 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.594 -15.015 -7.224 1.00 0.00 H new ATOM 752 N GLU A 48 7.476 -6.655 -5.821 1.00 0.00 N ATOM 753 CA GLU A 48 7.529 -5.925 -4.565 1.00 0.00 C ATOM 754 C GLU A 48 6.115 -5.603 -4.079 1.00 0.00 C ATOM 755 O GLU A 48 5.879 -5.491 -2.876 1.00 0.00 O ATOM 756 CB GLU A 48 8.365 -4.651 -4.707 1.00 0.00 C ATOM 757 CG GLU A 48 9.196 -4.397 -3.447 1.00 0.00 C ATOM 758 CD GLU A 48 8.327 -4.486 -2.191 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.366 -3.691 -2.108 1.00 0.00 O ATOM 760 OE2 GLU A 48 8.644 -5.346 -1.342 1.00 0.00 O ATOM 0 H GLU A 48 8.034 -6.251 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 48 8.013 -6.556 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.025 -4.739 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.709 -3.800 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.004 -5.126 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.659 -3.412 -3.505 1.00 0.00 H new ATOM 768 N CYS A 49 5.211 -5.463 -5.037 1.00 0.00 N ATOM 769 CA CYS A 49 3.827 -5.156 -4.721 1.00 0.00 C ATOM 770 C CYS A 49 3.261 -6.300 -3.877 1.00 0.00 C ATOM 771 O CYS A 49 2.730 -6.072 -2.791 1.00 0.00 O ATOM 772 CB CYS A 49 2.999 -4.913 -5.984 1.00 0.00 C ATOM 773 SG CYS A 49 2.990 -3.182 -6.577 1.00 0.00 S ATOM 0 H CYS A 49 5.410 -5.557 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 49 3.779 -4.228 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.381 -5.553 -6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.971 -5.222 -5.792 1.00 0.00 H new ATOM 778 N ASP A 50 3.395 -7.506 -4.409 1.00 0.00 N ATOM 779 CA ASP A 50 2.904 -8.687 -3.719 1.00 0.00 C ATOM 780 C ASP A 50 3.674 -8.863 -2.409 1.00 0.00 C ATOM 781 O ASP A 50 3.283 -9.661 -1.558 1.00 0.00 O ATOM 782 CB ASP A 50 3.111 -9.945 -4.564 1.00 0.00 C ATOM 783 CG ASP A 50 2.252 -11.144 -4.160 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.731 -11.113 -3.024 1.00 0.00 O ATOM 785 OD2 ASP A 50 2.136 -12.066 -4.996 1.00 0.00 O ATOM 0 H ASP A 50 3.836 -7.691 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 50 1.839 -8.551 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.903 -9.703 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.161 -10.234 -4.508 1.00 0.00 H new ATOM 791 N HIS A 51 4.756 -8.109 -2.289 1.00 0.00 N ATOM 792 CA HIS A 51 5.585 -8.173 -1.097 1.00 0.00 C ATOM 793 C HIS A 51 5.338 -6.934 -0.234 1.00 0.00 C ATOM 794 O HIS A 51 5.975 -6.759 0.804 1.00 0.00 O ATOM 795 CB HIS A 51 7.058 -8.351 -1.469 1.00 0.00 C ATOM 796 CG HIS A 51 7.533 -9.784 -1.427 1.00 0.00 C ATOM 797 ND1 HIS A 51 6.945 -10.791 -2.172 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.544 -10.368 -0.720 1.00 0.00 C ATOM 799 CE1 HIS A 51 7.581 -11.926 -1.917 1.00 0.00 C ATOM 800 NE2 HIS A 51 8.571 -11.660 -1.017 1.00 0.00 N ATOM 0 H HIS A 51 5.078 -7.450 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 51 5.311 -9.047 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.219 -7.955 -2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.668 -7.757 -0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.209 -9.863 -0.035 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.355 -12.891 -2.346 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.225 -12.343 -0.635 1.00 0.00 H new ATOM 809 N TYR A 52 4.411 -6.106 -0.694 1.00 0.00 N ATOM 810 CA TYR A 52 4.072 -4.889 0.024 1.00 0.00 C ATOM 811 C TYR A 52 2.698 -5.008 0.687 1.00 0.00 C ATOM 812 O TYR A 52 2.527 -4.621 1.842 1.00 0.00 O ATOM 813 CB TYR A 52 4.022 -3.779 -1.028 1.00 0.00 C ATOM 814 CG TYR A 52 3.954 -2.368 -0.441 1.00 0.00 C ATOM 815 CD1 TYR A 52 5.041 -1.847 0.232 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.806 -1.615 -0.584 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.977 -0.520 0.784 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.743 -0.287 -0.032 1.00 0.00 C ATOM 819 CZ TYR A 52 3.831 0.196 0.626 1.00 0.00 C ATOM 820 OH TYR A 52 3.770 1.449 1.147 1.00 0.00 O ATOM 0 H TYR A 52 3.884 -6.254 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 52 4.803 -4.690 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.904 -3.855 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.154 -3.938 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.939 -2.436 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.955 -2.022 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.821 -0.101 1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.851 0.313 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 52 4.221 1.464 2.017 1.00 0.00 H new ATOM 830 N VAL A 53 1.755 -5.547 -0.072 1.00 0.00 N ATOM 831 CA VAL A 53 0.401 -5.722 0.429 1.00 0.00 C ATOM 832 C VAL A 53 0.441 -6.554 1.711 1.00 0.00 C ATOM 833 O VAL A 53 -0.516 -6.552 2.486 1.00 0.00 O ATOM 834 CB VAL A 53 -0.481 -6.339 -0.657 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.252 -5.654 -2.007 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.249 -7.848 -0.762 1.00 0.00 C ATOM 0 H VAL A 53 1.901 -5.868 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.042 -4.758 0.681 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.521 -6.179 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.892 -6.113 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.493 -4.594 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.792 -5.767 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.889 -8.261 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.795 -8.039 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.488 -8.320 0.191 1.00 0.00 H new ATOM 846 N ASN A 54 1.555 -7.246 1.897 1.00 0.00 N ATOM 847 CA ASN A 54 1.731 -8.081 3.073 1.00 0.00 C ATOM 848 C ASN A 54 3.116 -7.825 3.672 1.00 0.00 C ATOM 849 O ASN A 54 3.894 -8.757 3.867 1.00 0.00 O ATOM 850 CB ASN A 54 1.639 -9.564 2.714 1.00 0.00 C ATOM 851 CG ASN A 54 0.909 -10.349 3.806 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.084 -9.826 4.536 1.00 0.00 O ATOM 853 ND2 ASN A 54 1.259 -11.631 3.877 1.00 0.00 N ATOM 0 H ASN A 54 2.346 -7.246 1.252 1.00 0.00 H new ATOM 0 HA ASN A 54 0.943 -7.832 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.115 -9.680 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.641 -9.971 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.829 -12.239 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.957 -12.005 3.235 1.00 0.00 H new ATOM 860 N SER A 55 3.381 -6.556 3.948 1.00 0.00 N ATOM 861 CA SER A 55 4.657 -6.166 4.521 1.00 0.00 C ATOM 862 C SER A 55 4.565 -4.749 5.088 1.00 0.00 C ATOM 863 O SER A 55 4.938 -4.510 6.237 1.00 0.00 O ATOM 864 CB SER A 55 5.777 -6.250 3.482 1.00 0.00 C ATOM 865 OG SER A 55 5.995 -7.586 3.038 1.00 0.00 O ATOM 0 H SER A 55 2.733 -5.785 3.785 1.00 0.00 H new ATOM 0 HA SER A 55 4.895 -6.859 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.527 -5.621 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.699 -5.855 3.910 1.00 0.00 H new ATOM 0 HG SER A 55 6.183 -7.584 2.076 1.00 0.00 H new ATOM 871 N LYS A 56 4.066 -3.845 4.258 1.00 0.00 N ATOM 872 CA LYS A 56 3.920 -2.456 4.663 1.00 0.00 C ATOM 873 C LYS A 56 2.433 -2.104 4.730 1.00 0.00 C ATOM 874 O LYS A 56 2.074 -0.933 4.853 1.00 0.00 O ATOM 875 CB LYS A 56 4.728 -1.541 3.741 1.00 0.00 C ATOM 876 CG LYS A 56 6.231 -1.737 3.955 1.00 0.00 C ATOM 877 CD LYS A 56 6.778 -2.827 3.032 1.00 0.00 C ATOM 878 CE LYS A 56 7.997 -2.326 2.254 1.00 0.00 C ATOM 879 NZ LYS A 56 9.117 -3.287 2.370 1.00 0.00 N ATOM 0 H LYS A 56 3.758 -4.047 3.307 1.00 0.00 H new ATOM 0 HA LYS A 56 4.330 -2.305 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.475 -1.750 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.462 -0.501 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.754 -0.800 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.422 -2.005 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.052 -3.703 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.001 -3.142 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.735 -2.189 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.304 -1.352 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.936 -2.932 1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.377 -3.398 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.826 -4.208 1.984 1.00 0.00 H new ATOM 893 N VAL A 57 1.608 -3.137 4.646 1.00 0.00 N ATOM 894 CA VAL A 57 0.168 -2.949 4.695 1.00 0.00 C ATOM 895 C VAL A 57 -0.322 -3.170 6.129 1.00 0.00 C ATOM 896 O VAL A 57 -1.045 -2.339 6.675 1.00 0.00 O ATOM 897 CB VAL A 57 -0.514 -3.872 3.683 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.865 -4.362 4.210 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.673 -3.177 2.329 1.00 0.00 C ATOM 0 H VAL A 57 1.909 -4.106 4.544 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.094 -1.929 4.414 1.00 0.00 H new ATOM 0 HB VAL A 57 0.125 -4.743 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.328 -5.016 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.715 -4.912 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.515 -3.507 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.160 -3.854 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.281 -2.280 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.309 -2.901 1.944 1.00 0.00 H new ATOM 909 N ASP A 58 0.092 -4.293 6.696 1.00 0.00 N ATOM 910 CA ASP A 58 -0.295 -4.632 8.054 1.00 0.00 C ATOM 911 C ASP A 58 -0.075 -3.419 8.961 1.00 0.00 C ATOM 912 O ASP A 58 -0.929 -3.090 9.781 1.00 0.00 O ATOM 913 CB ASP A 58 0.550 -5.787 8.596 1.00 0.00 C ATOM 914 CG ASP A 58 -0.240 -6.894 9.297 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.335 -6.573 9.807 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.269 -8.035 9.306 1.00 0.00 O ATOM 0 H ASP A 58 0.692 -4.980 6.239 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.344 -4.928 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.108 -6.227 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.282 -5.384 9.296 1.00 0.00 H new ATOM 922 N PRO A 59 1.106 -2.771 8.777 1.00 0.00 N ATOM 923 CA PRO A 59 1.450 -1.601 9.568 1.00 0.00 C ATOM 924 C PRO A 59 0.663 -0.374 9.102 1.00 0.00 C ATOM 925 O PRO A 59 0.006 0.288 9.905 1.00 0.00 O ATOM 926 CB PRO A 59 2.952 -1.442 9.402 1.00 0.00 C ATOM 927 CG PRO A 59 3.322 -2.240 8.163 1.00 0.00 C ATOM 928 CD PRO A 59 2.142 -3.132 7.814 1.00 0.00 C ATOM 0 HA PRO A 59 1.189 -1.713 10.620 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.223 -0.393 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.483 -1.813 10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.554 -1.572 7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.213 -2.840 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.807 -2.963 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.406 -4.187 7.893 1.00 0.00 H new ATOM 936 N ILE A 60 0.756 -0.108 7.807 1.00 0.00 N ATOM 937 CA ILE A 60 0.061 1.028 7.226 1.00 0.00 C ATOM 938 C ILE A 60 -1.395 1.027 7.697 1.00 0.00 C ATOM 939 O ILE A 60 -1.854 1.991 8.306 1.00 0.00 O ATOM 940 CB ILE A 60 0.214 1.028 5.704 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.576 1.589 5.289 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.941 1.776 5.035 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.750 1.542 3.770 1.00 0.00 C ATOM 0 H ILE A 60 1.302 -0.659 7.144 1.00 0.00 H new ATOM 0 HA ILE A 60 0.506 1.962 7.569 1.00 0.00 H new ATOM 0 HB ILE A 60 0.172 -0.005 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.671 2.617 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.370 1.016 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.807 1.760 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.884 1.293 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.956 2.809 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.726 1.947 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.679 0.510 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.969 2.136 3.296 1.00 0.00 H new ATOM 955 N ILE A 61 -2.079 -0.068 7.397 1.00 0.00 N ATOM 956 CA ILE A 61 -3.473 -0.207 7.782 1.00 0.00 C ATOM 957 C ILE A 61 -3.592 -0.088 9.303 1.00 0.00 C ATOM 958 O ILE A 61 -4.663 0.221 9.823 1.00 0.00 O ATOM 959 CB ILE A 61 -4.057 -1.505 7.220 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.745 -1.645 5.728 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.558 -1.599 7.502 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.658 -2.684 5.072 1.00 0.00 C ATOM 0 H ILE A 61 -1.694 -0.866 6.892 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.069 0.597 7.351 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.581 -2.342 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.871 -0.681 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.703 -1.936 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.948 -2.531 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.728 -1.577 8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.069 -0.756 7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.416 -2.764 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.512 -3.652 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.698 -2.377 5.184 1.00 0.00 H new ATOM 974 N HIS A 62 -2.476 -0.338 9.973 1.00 0.00 N ATOM 975 CA HIS A 62 -2.442 -0.263 11.424 1.00 0.00 C ATOM 976 C HIS A 62 -2.730 1.172 11.870 1.00 0.00 C ATOM 977 O HIS A 62 -3.350 1.390 12.909 1.00 0.00 O ATOM 978 CB HIS A 62 -1.114 -0.797 11.964 1.00 0.00 C ATOM 979 CG HIS A 62 -0.233 0.262 12.581 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.347 0.119 13.830 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.163 1.479 12.110 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.057 1.209 14.088 1.00 0.00 C ATOM 983 NE2 HIS A 62 0.941 2.050 13.021 1.00 0.00 N ATOM 0 H HIS A 62 -1.589 -0.593 9.538 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.221 -0.900 11.844 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.319 -1.565 12.710 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.571 -1.279 11.152 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.246 -0.687 14.447 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.110 1.906 11.156 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.627 1.397 14.986 1.00 0.00 H new ATOM 992 N GLU A 63 -2.265 2.113 11.061 1.00 0.00 N ATOM 993 CA GLU A 63 -2.465 3.521 11.360 1.00 0.00 C ATOM 994 C GLU A 63 -3.881 3.951 10.972 1.00 0.00 C ATOM 995 O GLU A 63 -4.631 4.453 11.808 1.00 0.00 O ATOM 996 CB GLU A 63 -1.417 4.385 10.654 1.00 0.00 C ATOM 997 CG GLU A 63 -0.499 5.071 11.668 1.00 0.00 C ATOM 998 CD GLU A 63 -1.307 5.901 12.666 1.00 0.00 C ATOM 999 OE1 GLU A 63 -2.537 5.686 12.718 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -0.677 6.732 13.355 1.00 0.00 O ATOM 0 H GLU A 63 -1.751 1.928 10.200 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.344 3.665 12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.823 3.766 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.914 5.137 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.084 4.321 12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.210 5.713 11.146 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.204 3.736 9.705 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.517 4.095 9.197 1.00 0.00 C ATOM 1010 C LEU A 64 -6.586 3.636 10.189 1.00 0.00 C ATOM 1011 O LEU A 64 -7.537 4.366 10.466 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.713 3.544 7.782 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.912 4.235 6.676 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.938 3.413 5.386 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -5.407 5.667 6.454 1.00 0.00 C ATOM 0 H LEU A 64 -3.579 3.318 9.016 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.608 5.178 9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.451 2.486 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.772 3.609 7.531 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.872 4.300 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.362 3.926 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.503 2.431 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.968 3.296 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.821 6.136 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.458 5.648 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.295 6.238 7.376 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.396 2.427 10.697 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.333 1.861 11.652 1.00 0.00 C ATOM 1029 C GLU A 65 -7.366 2.706 12.928 1.00 0.00 C ATOM 1030 O GLU A 65 -8.430 2.925 13.505 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.981 0.406 11.969 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.565 -0.540 10.917 1.00 0.00 C ATOM 1033 CD GLU A 65 -7.262 -1.999 11.264 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -6.093 -2.267 11.618 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -8.205 -2.812 11.169 1.00 0.00 O ATOM 0 H GLU A 65 -5.607 1.824 10.465 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.327 1.872 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.898 0.290 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.365 0.141 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.643 -0.395 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.150 -0.302 9.938 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.187 3.160 13.330 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.068 3.976 14.526 1.00 0.00 C ATOM 1045 C GLY A 66 -6.851 5.283 14.378 1.00 0.00 C ATOM 1046 O GLY A 66 -7.452 5.763 15.338 1.00 0.00 O ATOM 0 H GLY A 66 -5.306 2.978 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.439 3.421 15.388 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.018 4.197 14.717 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.818 5.821 13.168 1.00 0.00 N ATOM 1051 CA GLY A 67 -7.517 7.063 12.881 1.00 0.00 C ATOM 1052 C GLY A 67 -6.668 7.979 11.997 1.00 0.00 C ATOM 1053 O GLY A 67 -7.148 9.005 11.519 1.00 0.00 O ATOM 0 H GLY A 67 -6.318 5.420 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.462 6.846 12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.758 7.573 13.814 1.00 0.00 H new ATOM 1057 N THR A 68 -5.421 7.573 11.805 1.00 0.00 N ATOM 1058 CA THR A 68 -4.502 8.343 10.986 1.00 0.00 C ATOM 1059 C THR A 68 -5.030 8.459 9.555 1.00 0.00 C ATOM 1060 O THR A 68 -5.896 7.688 9.145 1.00 0.00 O ATOM 1061 CB THR A 68 -3.124 7.684 11.074 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.634 8.071 12.354 1.00 0.00 O ATOM 1063 CG2 THR A 68 -2.120 8.291 10.091 1.00 0.00 C ATOM 0 H THR A 68 -5.026 6.721 12.203 1.00 0.00 H new ATOM 0 HA THR A 68 -4.412 9.367 11.349 1.00 0.00 H new ATOM 0 HB THR A 68 -3.221 6.616 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.917 7.415 13.025 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.159 7.787 10.195 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.487 8.166 9.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.998 9.353 10.305 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.487 9.429 8.834 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.892 9.655 7.457 1.00 0.00 C ATOM 1073 C ALA A 69 -4.131 8.695 6.541 1.00 0.00 C ATOM 1074 O ALA A 69 -3.109 8.135 6.934 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.655 11.122 7.089 1.00 0.00 C ATOM 0 H ALA A 69 -3.770 10.068 9.178 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.956 9.455 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.959 11.292 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.241 11.762 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.597 11.358 7.199 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.674 8.528 5.305 1.00 0.00 N ATOM 1082 CA PRO A 70 -4.058 7.644 4.331 1.00 0.00 C ATOM 1083 C PRO A 70 -2.802 8.280 3.730 1.00 0.00 C ATOM 1084 O PRO A 70 -2.072 7.634 2.979 1.00 0.00 O ATOM 1085 CB PRO A 70 -5.141 7.382 3.297 1.00 0.00 C ATOM 1086 CG PRO A 70 -6.167 8.488 3.478 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.884 9.173 4.805 1.00 0.00 C ATOM 0 HA PRO A 70 -3.711 6.710 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.729 7.393 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.594 6.402 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.106 9.204 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.177 8.078 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.736 10.245 4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.715 9.049 5.500 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.588 9.538 4.085 1.00 0.00 N ATOM 1096 CA LYS A 71 -1.433 10.270 3.592 1.00 0.00 C ATOM 1097 C LYS A 71 -0.538 10.659 4.770 1.00 0.00 C ATOM 1098 O LYS A 71 0.464 11.347 4.592 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.877 11.459 2.738 1.00 0.00 C ATOM 1100 CG LYS A 71 -2.455 12.576 3.610 1.00 0.00 C ATOM 1101 CD LYS A 71 -3.976 12.650 3.468 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.374 13.163 2.082 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.617 14.622 2.120 1.00 0.00 N ATOM 0 H LYS A 71 -3.195 10.070 4.709 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.836 9.639 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.029 11.839 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.625 11.133 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.192 12.401 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.013 13.531 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.408 11.663 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.385 13.309 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.585 12.938 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.272 12.648 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.886 14.954 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.385 14.829 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.751 15.110 2.425 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.935 10.200 5.949 1.00 0.00 N ATOM 1118 CA ASP A 72 -0.182 10.491 7.156 1.00 0.00 C ATOM 1119 C ASP A 72 0.441 9.199 7.688 1.00 0.00 C ATOM 1120 O ASP A 72 1.499 9.228 8.316 1.00 0.00 O ATOM 1121 CB ASP A 72 -1.091 11.062 8.247 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.359 11.671 9.445 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.577 12.462 9.196 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -0.751 11.333 10.583 1.00 0.00 O ATOM 0 H ASP A 72 -1.768 9.629 6.093 1.00 0.00 H new ATOM 0 HA ASP A 72 0.586 11.223 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.730 11.826 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.746 10.268 8.606 1.00 0.00 H new ATOM 1130 N VAL A 73 -0.241 8.096 7.417 1.00 0.00 N ATOM 1131 CA VAL A 73 0.233 6.796 7.860 1.00 0.00 C ATOM 1132 C VAL A 73 1.728 6.672 7.559 1.00 0.00 C ATOM 1133 O VAL A 73 2.562 7.092 8.359 1.00 0.00 O ATOM 1134 CB VAL A 73 -0.601 5.687 7.214 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.027 4.314 7.463 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -2.047 5.727 7.712 1.00 0.00 C ATOM 0 H VAL A 73 -1.118 8.076 6.896 1.00 0.00 H new ATOM 0 HA VAL A 73 0.109 6.692 8.938 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.613 5.860 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.585 3.544 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.030 4.290 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.084 4.129 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.618 4.929 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.063 5.591 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.492 6.690 7.461 1.00 0.00 H new ATOM 1146 N CYS A 74 2.020 6.095 6.403 1.00 0.00 N ATOM 1147 CA CYS A 74 3.400 5.911 5.987 1.00 0.00 C ATOM 1148 C CYS A 74 4.212 7.116 6.466 1.00 0.00 C ATOM 1149 O CYS A 74 5.289 6.956 7.037 1.00 0.00 O ATOM 1150 CB CYS A 74 3.512 5.712 4.474 1.00 0.00 C ATOM 1151 SG CYS A 74 2.081 6.322 3.511 1.00 0.00 S ATOM 0 H CYS A 74 1.325 5.749 5.742 1.00 0.00 H new ATOM 0 HA CYS A 74 3.800 5.003 6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.411 6.217 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.642 4.649 4.270 1.00 0.00 H new ATOM 1156 N THR A 75 3.662 8.296 6.216 1.00 0.00 N ATOM 1157 CA THR A 75 4.321 9.527 6.614 1.00 0.00 C ATOM 1158 C THR A 75 5.002 9.353 7.973 1.00 0.00 C ATOM 1159 O THR A 75 6.230 9.306 8.055 1.00 0.00 O ATOM 1160 CB THR A 75 3.280 10.649 6.597 1.00 0.00 C ATOM 1161 OG1 THR A 75 3.652 11.452 5.480 1.00 0.00 O ATOM 1162 CG2 THR A 75 3.413 11.591 7.795 1.00 0.00 C ATOM 0 H THR A 75 2.768 8.425 5.743 1.00 0.00 H new ATOM 0 HA THR A 75 5.117 9.791 5.917 1.00 0.00 H new ATOM 0 HB THR A 75 2.280 10.215 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.028 12.203 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.651 12.368 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.282 11.026 8.718 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.401 12.051 7.788 1.00 0.00 H new ATOM 1170 N LYS A 76 4.177 9.259 9.005 1.00 0.00 N ATOM 1171 CA LYS A 76 4.684 9.091 10.356 1.00 0.00 C ATOM 1172 C LYS A 76 5.336 7.712 10.483 1.00 0.00 C ATOM 1173 O LYS A 76 6.222 7.514 11.312 1.00 0.00 O ATOM 1174 CB LYS A 76 3.576 9.344 11.380 1.00 0.00 C ATOM 1175 CG LYS A 76 2.412 8.372 11.180 1.00 0.00 C ATOM 1176 CD LYS A 76 1.710 8.077 12.507 1.00 0.00 C ATOM 1177 CE LYS A 76 0.621 9.114 12.793 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.242 9.084 14.223 1.00 0.00 N ATOM 0 H LYS A 76 3.160 9.296 8.933 1.00 0.00 H new ATOM 0 HA LYS A 76 5.456 9.831 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.976 9.235 12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.218 10.369 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.698 8.794 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.780 7.443 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.269 7.081 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.440 8.078 13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.978 10.109 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.253 8.912 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.409 9.869 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.227 8.181 14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.095 9.180 14.810 1.00 0.00 H new ATOM 1192 N LEU A 77 4.870 6.793 9.649 1.00 0.00 N ATOM 1193 CA LEU A 77 5.395 5.439 9.657 1.00 0.00 C ATOM 1194 C LEU A 77 6.722 5.407 8.896 1.00 0.00 C ATOM 1195 O LEU A 77 7.258 4.334 8.621 1.00 0.00 O ATOM 1196 CB LEU A 77 4.353 4.457 9.119 1.00 0.00 C ATOM 1197 CG LEU A 77 3.451 3.797 10.163 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.253 3.389 11.401 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.270 4.702 10.518 1.00 0.00 C ATOM 0 H LEU A 77 4.134 6.961 8.963 1.00 0.00 H new ATOM 0 HA LEU A 77 5.604 5.117 10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.722 4.984 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.872 3.673 8.569 1.00 0.00 H new ATOM 0 HG LEU A 77 3.039 2.885 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.588 2.922 12.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.031 2.681 11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.712 4.272 11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.645 4.209 11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.642 5.643 10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.681 4.900 9.622 1.00 0.00 H new ATOM 1211 N ASN A 78 7.213 6.596 8.577 1.00 0.00 N ATOM 1212 CA ASN A 78 8.468 6.717 7.853 1.00 0.00 C ATOM 1213 C ASN A 78 8.515 5.664 6.743 1.00 0.00 C ATOM 1214 O ASN A 78 9.591 5.212 6.357 1.00 0.00 O ATOM 1215 CB ASN A 78 9.663 6.482 8.778 1.00 0.00 C ATOM 1216 CG ASN A 78 10.207 7.807 9.317 1.00 0.00 C ATOM 1217 OD1 ASN A 78 9.848 8.264 10.389 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.091 8.395 8.517 1.00 0.00 N ATOM 0 H ASN A 78 6.765 7.483 8.806 1.00 0.00 H new ATOM 0 HA ASN A 78 8.524 7.725 7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.364 5.842 9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.449 5.955 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.513 9.283 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.348 7.958 7.632 1.00 0.00 H new ATOM 1225 N GLU A 79 7.334 5.303 6.263 1.00 0.00 N ATOM 1226 CA GLU A 79 7.227 4.313 5.205 1.00 0.00 C ATOM 1227 C GLU A 79 6.850 4.985 3.884 1.00 0.00 C ATOM 1228 O GLU A 79 5.756 4.768 3.362 1.00 0.00 O ATOM 1229 CB GLU A 79 6.218 3.224 5.574 1.00 0.00 C ATOM 1230 CG GLU A 79 6.641 1.868 5.006 1.00 0.00 C ATOM 1231 CD GLU A 79 6.121 1.684 3.579 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.947 2.049 3.352 1.00 0.00 O ATOM 1233 OE2 GLU A 79 6.909 1.184 2.748 1.00 0.00 O ATOM 0 H GLU A 79 6.443 5.678 6.587 1.00 0.00 H new ATOM 0 HA GLU A 79 8.199 3.835 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.131 3.157 6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.233 3.491 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.728 1.790 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.260 1.069 5.642 1.00 0.00 H new