USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 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= 0.077 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.3!) USER MOD Single : A 8 MET CE :methyl -118:sc= -0.212 (180deg=-2.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= -2.15 (180deg=-6.15!) USER MOD Single : A 16 TYR OH : rot 130:sc= 0 USER MOD Single : A 19 SER OG : rot -89:sc= 0.669 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= -0.0168 (180deg=-0.0275) USER MOD Single : A 25 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.066) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= -0.0693 (180deg=-0.491) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.199 (180deg=-0.322) USER MOD Single : A 40 HIS : no HE2:sc= -1.8! K(o=-1.8!,f=-0.72) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 50:sc= -5.07! USER MOD Single : A 54 ASN : amide:sc= -0.151 K(o=-0.15,f=-1) USER MOD Single : A 55 SER OG : rot 70:sc= 0.1 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -12! C(o=-12!,f=-8.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 8.934 4.579 -5.252 1.00 0.00 N ATOM 47 CA LEU A 4 7.772 3.858 -5.743 1.00 0.00 C ATOM 48 C LEU A 4 7.032 3.227 -4.561 1.00 0.00 C ATOM 49 O LEU A 4 5.845 2.918 -4.661 1.00 0.00 O ATOM 50 CB LEU A 4 8.181 2.851 -6.820 1.00 0.00 C ATOM 51 CG LEU A 4 8.431 1.420 -6.340 1.00 0.00 C ATOM 52 CD1 LEU A 4 8.449 0.443 -7.516 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.712 1.337 -5.507 1.00 0.00 C ATOM 0 HA LEU A 4 7.076 4.543 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.401 2.827 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.088 3.214 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 4 7.605 1.128 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.629 -0.567 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.489 0.476 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.242 0.723 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.866 0.309 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.561 1.656 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.623 1.987 -4.636 1.00 0.00 H new ATOM 65 N SER A 5 7.763 3.056 -3.470 1.00 0.00 N ATOM 66 CA SER A 5 7.190 2.468 -2.271 1.00 0.00 C ATOM 67 C SER A 5 6.198 3.442 -1.633 1.00 0.00 C ATOM 68 O SER A 5 5.173 3.026 -1.094 1.00 0.00 O ATOM 69 CB SER A 5 8.282 2.090 -1.267 1.00 0.00 C ATOM 70 OG SER A 5 9.446 2.899 -1.415 1.00 0.00 O ATOM 0 H SER A 5 8.747 3.314 -3.391 1.00 0.00 H new ATOM 0 HA SER A 5 6.663 1.557 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.895 2.194 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.550 1.042 -1.400 1.00 0.00 H new ATOM 0 HG SER A 5 10.119 2.628 -0.756 1.00 0.00 H new ATOM 76 N CYS A 6 6.537 4.721 -1.715 1.00 0.00 N ATOM 77 CA CYS A 6 5.688 5.756 -1.152 1.00 0.00 C ATOM 78 C CYS A 6 4.320 5.679 -1.832 1.00 0.00 C ATOM 79 O CYS A 6 3.301 5.502 -1.167 1.00 0.00 O ATOM 80 CB CYS A 6 6.319 7.143 -1.294 1.00 0.00 C ATOM 81 SG CYS A 6 5.279 8.525 -0.694 1.00 0.00 S ATOM 0 H CYS A 6 7.387 5.063 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 6 5.569 5.590 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.263 7.155 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.555 7.314 -2.344 1.00 0.00 H new ATOM 0 HG CYS A 6 5.912 9.648 -0.861 1.00 0.00 H new ATOM 86 N GLN A 7 4.341 5.816 -3.150 1.00 0.00 N ATOM 87 CA GLN A 7 3.115 5.765 -3.928 1.00 0.00 C ATOM 88 C GLN A 7 2.255 4.579 -3.484 1.00 0.00 C ATOM 89 O GLN A 7 1.067 4.739 -3.207 1.00 0.00 O ATOM 90 CB GLN A 7 3.419 5.691 -5.426 1.00 0.00 C ATOM 91 CG GLN A 7 2.723 6.824 -6.182 1.00 0.00 C ATOM 92 CD GLN A 7 3.698 7.965 -6.478 1.00 0.00 C ATOM 93 OE1 GLN A 7 4.907 7.802 -6.465 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.107 9.127 -6.743 1.00 0.00 N ATOM 0 H GLN A 7 5.188 5.962 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 7 2.555 6.683 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.496 5.750 -5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.090 4.730 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.309 6.443 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.886 7.199 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.089 9.195 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.672 9.950 -6.952 1.00 0.00 H new ATOM 103 N MET A 8 2.888 3.416 -3.431 1.00 0.00 N ATOM 104 CA MET A 8 2.196 2.205 -3.025 1.00 0.00 C ATOM 105 C MET A 8 1.375 2.442 -1.756 1.00 0.00 C ATOM 106 O MET A 8 0.267 1.925 -1.625 1.00 0.00 O ATOM 107 CB MET A 8 3.217 1.094 -2.773 1.00 0.00 C ATOM 108 CG MET A 8 3.804 0.579 -4.089 1.00 0.00 C ATOM 109 SD MET A 8 5.056 -0.648 -3.760 1.00 0.00 S ATOM 110 CE MET A 8 5.553 -1.040 -5.430 1.00 0.00 C ATOM 0 H MET A 8 3.873 3.287 -3.663 1.00 0.00 H new ATOM 0 HA MET A 8 1.516 1.911 -3.825 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.018 1.469 -2.136 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.741 0.273 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.014 0.149 -4.705 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.234 1.407 -4.654 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.344 -2.090 -5.635 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.998 -0.416 -6.131 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.621 -0.853 -5.545 1.00 0.00 H new ATOM 120 N CYS A 9 1.950 3.223 -0.855 1.00 0.00 N ATOM 121 CA CYS A 9 1.285 3.536 0.400 1.00 0.00 C ATOM 122 C CYS A 9 -0.043 4.224 0.080 1.00 0.00 C ATOM 123 O CYS A 9 -1.035 4.023 0.781 1.00 0.00 O ATOM 124 CB CYS A 9 2.167 4.391 1.311 1.00 0.00 C ATOM 125 SG CYS A 9 1.911 6.196 1.152 1.00 0.00 S ATOM 0 H CYS A 9 2.870 3.649 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 9 1.093 2.616 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.984 4.102 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.212 4.166 1.097 1.00 0.00 H new ATOM 130 N GLU A 10 -0.020 5.022 -0.977 1.00 0.00 N ATOM 131 CA GLU A 10 -1.211 5.742 -1.398 1.00 0.00 C ATOM 132 C GLU A 10 -2.154 4.809 -2.159 1.00 0.00 C ATOM 133 O GLU A 10 -3.275 5.191 -2.493 1.00 0.00 O ATOM 134 CB GLU A 10 -0.843 6.962 -2.243 1.00 0.00 C ATOM 135 CG GLU A 10 -0.216 8.059 -1.381 1.00 0.00 C ATOM 136 CD GLU A 10 -0.995 9.370 -1.509 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.948 9.952 -2.614 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.619 9.760 -0.498 1.00 0.00 O ATOM 0 H GLU A 10 0.804 5.186 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.729 6.101 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.146 6.668 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.734 7.348 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.199 7.742 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.820 8.216 -1.683 1.00 0.00 H new ATOM 146 N LEU A 11 -1.664 3.604 -2.414 1.00 0.00 N ATOM 147 CA LEU A 11 -2.449 2.614 -3.132 1.00 0.00 C ATOM 148 C LEU A 11 -3.269 1.797 -2.132 1.00 0.00 C ATOM 149 O LEU A 11 -4.471 1.610 -2.315 1.00 0.00 O ATOM 150 CB LEU A 11 -1.548 1.763 -4.029 1.00 0.00 C ATOM 151 CG LEU A 11 -2.237 0.625 -4.786 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.291 1.170 -5.752 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.211 -0.261 -5.496 1.00 0.00 C ATOM 0 H LEU A 11 -0.734 3.291 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.157 3.102 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.069 2.419 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.756 1.336 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.757 -0.002 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.766 0.342 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.045 1.725 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.814 1.832 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.727 -1.062 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.643 0.338 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.531 -0.692 -4.761 1.00 0.00 H new ATOM 165 N VAL A 12 -2.586 1.333 -1.095 1.00 0.00 N ATOM 166 CA VAL A 12 -3.236 0.540 -0.065 1.00 0.00 C ATOM 167 C VAL A 12 -4.290 1.395 0.642 1.00 0.00 C ATOM 168 O VAL A 12 -5.445 0.987 0.765 1.00 0.00 O ATOM 169 CB VAL A 12 -2.190 -0.031 0.894 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.121 -0.820 0.133 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.556 1.077 1.737 1.00 0.00 C ATOM 0 H VAL A 12 -1.589 1.491 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.751 -0.312 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.697 -0.719 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.390 -1.215 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.590 -1.645 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.621 -0.163 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.816 0.644 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.071 1.800 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.329 1.577 2.321 1.00 0.00 H new ATOM 181 N VAL A 13 -3.856 2.565 1.086 1.00 0.00 N ATOM 182 CA VAL A 13 -4.749 3.481 1.776 1.00 0.00 C ATOM 183 C VAL A 13 -5.932 3.818 0.866 1.00 0.00 C ATOM 184 O VAL A 13 -7.083 3.584 1.227 1.00 0.00 O ATOM 185 CB VAL A 13 -3.975 4.720 2.234 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.844 4.336 3.191 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.438 5.505 1.037 1.00 0.00 C ATOM 0 H VAL A 13 -2.898 2.900 0.982 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.154 3.015 2.675 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.666 5.367 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.310 5.234 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.262 3.841 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.154 3.660 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.892 6.380 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.769 4.870 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.270 5.825 0.409 1.00 0.00 H new ATOM 197 N LYS A 14 -5.605 4.362 -0.298 1.00 0.00 N ATOM 198 CA LYS A 14 -6.627 4.733 -1.262 1.00 0.00 C ATOM 199 C LYS A 14 -7.658 3.609 -1.365 1.00 0.00 C ATOM 200 O LYS A 14 -8.839 3.864 -1.598 1.00 0.00 O ATOM 201 CB LYS A 14 -5.987 5.105 -2.602 1.00 0.00 C ATOM 202 CG LYS A 14 -7.056 5.394 -3.658 1.00 0.00 C ATOM 203 CD LYS A 14 -6.574 6.454 -4.650 1.00 0.00 C ATOM 204 CE LYS A 14 -6.478 5.878 -6.064 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.939 6.870 -7.061 1.00 0.00 N ATOM 0 H LYS A 14 -4.648 4.554 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.160 5.624 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.350 5.981 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.346 4.291 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.302 4.476 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.970 5.735 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.260 7.301 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.599 6.831 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.448 5.591 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.082 4.974 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.867 6.462 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.929 7.124 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.346 7.722 -7.003 1.00 0.00 H new ATOM 219 N LYS A 15 -7.176 2.388 -1.185 1.00 0.00 N ATOM 220 CA LYS A 15 -8.042 1.223 -1.254 1.00 0.00 C ATOM 221 C LYS A 15 -8.818 1.091 0.058 1.00 0.00 C ATOM 222 O LYS A 15 -10.010 0.789 0.050 1.00 0.00 O ATOM 223 CB LYS A 15 -7.234 -0.024 -1.619 1.00 0.00 C ATOM 224 CG LYS A 15 -6.853 -0.017 -3.100 1.00 0.00 C ATOM 225 CD LYS A 15 -8.099 0.014 -3.987 1.00 0.00 C ATOM 226 CE LYS A 15 -7.755 -0.351 -5.432 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.719 -1.342 -5.960 1.00 0.00 N ATOM 0 H LYS A 15 -6.196 2.180 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.778 1.342 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.332 -0.069 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.816 -0.918 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.228 0.850 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.260 -0.902 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.842 -0.683 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.547 1.007 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.769 0.545 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.744 -0.757 -5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.963 -1.100 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.292 -2.290 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.580 -1.333 -5.377 1.00 0.00 H new ATOM 241 N TYR A 16 -8.109 1.324 1.153 1.00 0.00 N ATOM 242 CA TYR A 16 -8.717 1.235 2.470 1.00 0.00 C ATOM 243 C TYR A 16 -9.616 2.444 2.742 1.00 0.00 C ATOM 244 O TYR A 16 -10.833 2.305 2.852 1.00 0.00 O ATOM 245 CB TYR A 16 -7.559 1.241 3.470 1.00 0.00 C ATOM 246 CG TYR A 16 -7.993 1.059 4.926 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.325 0.863 5.229 1.00 0.00 C ATOM 248 CD2 TYR A 16 -7.052 1.090 5.935 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.733 0.691 6.599 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.461 0.918 7.305 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.781 0.727 7.569 1.00 0.00 C ATOM 252 OH TYR A 16 -9.167 0.565 8.864 1.00 0.00 O ATOM 0 H TYR A 16 -7.120 1.574 1.155 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.333 0.339 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.862 0.446 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.018 2.183 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.061 0.839 4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.010 1.243 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.772 0.537 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.736 0.940 8.105 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.607 -0.118 9.289 1.00 0.00 H new ATOM 262 N GLU A 17 -8.981 3.603 2.843 1.00 0.00 N ATOM 263 CA GLU A 17 -9.708 4.835 3.100 1.00 0.00 C ATOM 264 C GLU A 17 -11.009 4.860 2.296 1.00 0.00 C ATOM 265 O GLU A 17 -12.049 5.274 2.807 1.00 0.00 O ATOM 266 CB GLU A 17 -8.844 6.057 2.783 1.00 0.00 C ATOM 267 CG GLU A 17 -7.646 6.142 3.731 1.00 0.00 C ATOM 268 CD GLU A 17 -8.087 6.555 5.136 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.500 5.648 5.890 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.001 7.768 5.425 1.00 0.00 O ATOM 0 H GLU A 17 -7.971 3.715 2.752 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.958 4.873 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.494 6.002 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.444 6.963 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.142 5.176 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.924 6.862 3.346 1.00 0.00 H new ATOM 278 N GLY A 18 -10.910 4.413 1.053 1.00 0.00 N ATOM 279 CA GLY A 18 -12.066 4.380 0.175 1.00 0.00 C ATOM 280 C GLY A 18 -12.418 2.942 -0.215 1.00 0.00 C ATOM 281 O GLY A 18 -12.722 2.666 -1.374 1.00 0.00 O ATOM 0 H GLY A 18 -10.046 4.070 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.918 4.845 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.862 4.964 -0.722 1.00 0.00 H new ATOM 285 N SER A 19 -12.364 2.065 0.777 1.00 0.00 N ATOM 286 CA SER A 19 -12.673 0.662 0.552 1.00 0.00 C ATOM 287 C SER A 19 -14.179 0.485 0.346 1.00 0.00 C ATOM 288 O SER A 19 -14.606 -0.134 -0.628 1.00 0.00 O ATOM 289 CB SER A 19 -12.192 -0.201 1.720 1.00 0.00 C ATOM 290 OG SER A 19 -12.338 0.464 2.972 1.00 0.00 O ATOM 0 H SER A 19 -12.111 2.298 1.737 1.00 0.00 H new ATOM 0 HA SER A 19 -12.149 0.335 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.756 -1.134 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.145 -0.464 1.569 1.00 0.00 H new ATOM 0 HG SER A 19 -11.531 0.987 3.161 1.00 0.00 H new ATOM 296 N ALA A 20 -14.941 1.039 1.277 1.00 0.00 N ATOM 297 CA ALA A 20 -16.389 0.949 1.209 1.00 0.00 C ATOM 298 C ALA A 20 -16.845 -0.366 1.844 1.00 0.00 C ATOM 299 O ALA A 20 -18.031 -0.550 2.115 1.00 0.00 O ATOM 300 CB ALA A 20 -16.841 1.081 -0.247 1.00 0.00 C ATOM 0 H ALA A 20 -14.583 1.552 2.083 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.850 1.762 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.928 1.013 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.518 2.044 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.399 0.279 -0.839 1.00 0.00 H new ATOM 306 N ASP A 21 -15.879 -1.247 2.062 1.00 0.00 N ATOM 307 CA ASP A 21 -16.167 -2.539 2.661 1.00 0.00 C ATOM 308 C ASP A 21 -15.468 -2.634 4.018 1.00 0.00 C ATOM 309 O ASP A 21 -15.940 -3.331 4.916 1.00 0.00 O ATOM 310 CB ASP A 21 -15.650 -3.680 1.782 1.00 0.00 C ATOM 311 CG ASP A 21 -16.357 -5.022 1.983 1.00 0.00 C ATOM 312 OD1 ASP A 21 -16.693 -5.317 3.150 1.00 0.00 O ATOM 313 OD2 ASP A 21 -16.544 -5.722 0.965 1.00 0.00 O ATOM 0 H ASP A 21 -14.897 -1.091 1.835 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.248 -2.628 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.749 -3.387 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.586 -3.814 1.976 1.00 0.00 H new ATOM 319 N LYS A 22 -14.354 -1.924 4.126 1.00 0.00 N ATOM 320 CA LYS A 22 -13.586 -1.920 5.360 1.00 0.00 C ATOM 321 C LYS A 22 -13.008 -3.316 5.599 1.00 0.00 C ATOM 322 O LYS A 22 -13.332 -3.963 6.594 1.00 0.00 O ATOM 323 CB LYS A 22 -14.437 -1.399 6.519 1.00 0.00 C ATOM 324 CG LYS A 22 -14.609 0.119 6.435 1.00 0.00 C ATOM 325 CD LYS A 22 -15.103 0.539 5.049 1.00 0.00 C ATOM 326 CE LYS A 22 -15.847 1.874 5.113 1.00 0.00 C ATOM 327 NZ LYS A 22 -17.279 1.685 4.791 1.00 0.00 N ATOM 0 H LYS A 22 -13.965 -1.348 3.380 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.742 -1.234 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.415 -1.881 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.968 -1.663 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.318 0.451 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.659 0.609 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.257 0.623 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.762 -0.230 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.746 2.306 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.401 2.580 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.783 2.588 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.374 1.357 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.689 0.977 5.433 1.00 0.00 H new ATOM 341 N ASP A 23 -12.163 -3.739 4.672 1.00 0.00 N ATOM 342 CA ASP A 23 -11.536 -5.046 4.770 1.00 0.00 C ATOM 343 C ASP A 23 -10.106 -4.964 4.233 1.00 0.00 C ATOM 344 O ASP A 23 -9.898 -4.702 3.049 1.00 0.00 O ATOM 345 CB ASP A 23 -12.294 -6.084 3.940 1.00 0.00 C ATOM 346 CG ASP A 23 -13.054 -7.133 4.754 1.00 0.00 C ATOM 347 OD1 ASP A 23 -13.105 -6.965 5.992 1.00 0.00 O ATOM 348 OD2 ASP A 23 -13.567 -8.081 4.119 1.00 0.00 O ATOM 0 H ASP A 23 -11.897 -3.199 3.848 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.545 -5.346 5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.002 -5.564 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.585 -6.595 3.289 1.00 0.00 H new ATOM 354 N ALA A 24 -9.157 -5.192 5.129 1.00 0.00 N ATOM 355 CA ALA A 24 -7.753 -5.148 4.760 1.00 0.00 C ATOM 356 C ALA A 24 -7.464 -6.243 3.731 1.00 0.00 C ATOM 357 O ALA A 24 -6.391 -6.269 3.132 1.00 0.00 O ATOM 358 CB ALA A 24 -6.890 -5.285 6.016 1.00 0.00 C ATOM 0 H ALA A 24 -9.333 -5.408 6.110 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.508 -4.191 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.836 -5.252 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.111 -4.466 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.107 -6.235 6.505 1.00 0.00 H new ATOM 364 N ASN A 25 -8.442 -7.121 3.560 1.00 0.00 N ATOM 365 CA ASN A 25 -8.307 -8.216 2.614 1.00 0.00 C ATOM 366 C ASN A 25 -8.587 -7.701 1.201 1.00 0.00 C ATOM 367 O ASN A 25 -7.882 -8.054 0.256 1.00 0.00 O ATOM 368 CB ASN A 25 -9.309 -9.332 2.917 1.00 0.00 C ATOM 369 CG ASN A 25 -8.605 -10.554 3.510 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.672 -11.100 2.943 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.101 -10.952 4.677 1.00 0.00 N ATOM 0 H ASN A 25 -9.331 -7.096 4.060 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.293 -8.609 2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.064 -8.969 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.830 -9.616 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.699 -11.760 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.883 -10.450 5.097 1.00 0.00 H new ATOM 378 N VAL A 26 -9.617 -6.874 1.099 1.00 0.00 N ATOM 379 CA VAL A 26 -9.999 -6.307 -0.183 1.00 0.00 C ATOM 380 C VAL A 26 -9.136 -5.076 -0.469 1.00 0.00 C ATOM 381 O VAL A 26 -9.187 -4.518 -1.563 1.00 0.00 O ATOM 382 CB VAL A 26 -11.498 -6.002 -0.195 1.00 0.00 C ATOM 383 CG1 VAL A 26 -12.043 -5.988 -1.625 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.268 -6.998 0.675 1.00 0.00 C ATOM 0 H VAL A 26 -10.199 -6.583 1.884 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.820 -7.023 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.641 -5.008 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.111 -5.769 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.526 -5.223 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.881 -6.963 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.331 -6.758 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.114 -8.008 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.908 -6.938 1.702 1.00 0.00 H new ATOM 394 N ILE A 27 -8.363 -4.689 0.535 1.00 0.00 N ATOM 395 CA ILE A 27 -7.490 -3.535 0.406 1.00 0.00 C ATOM 396 C ILE A 27 -6.115 -3.993 -0.082 1.00 0.00 C ATOM 397 O ILE A 27 -5.697 -3.646 -1.186 1.00 0.00 O ATOM 398 CB ILE A 27 -7.446 -2.747 1.717 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.824 -2.175 2.059 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.371 -1.660 1.667 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.893 -1.756 3.529 1.00 0.00 C ATOM 0 H ILE A 27 -8.323 -5.154 1.442 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.880 -2.844 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.174 -3.433 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.034 -1.316 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.593 -2.920 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.361 -1.115 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.396 -2.119 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.589 -0.970 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.882 -1.353 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.707 -2.623 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.139 -0.994 3.726 1.00 0.00 H new ATOM 413 N LYS A 28 -5.449 -4.765 0.764 1.00 0.00 N ATOM 414 CA LYS A 28 -4.129 -5.274 0.433 1.00 0.00 C ATOM 415 C LYS A 28 -4.167 -5.910 -0.959 1.00 0.00 C ATOM 416 O LYS A 28 -3.234 -5.749 -1.744 1.00 0.00 O ATOM 417 CB LYS A 28 -3.629 -6.219 1.527 1.00 0.00 C ATOM 418 CG LYS A 28 -4.142 -7.643 1.299 1.00 0.00 C ATOM 419 CD LYS A 28 -4.178 -8.429 2.611 1.00 0.00 C ATOM 420 CE LYS A 28 -2.860 -8.285 3.373 1.00 0.00 C ATOM 421 NZ LYS A 28 -3.012 -8.759 4.767 1.00 0.00 N ATOM 0 H LYS A 28 -5.799 -5.050 1.679 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.406 -4.460 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.539 -6.219 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.961 -5.861 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.141 -7.608 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.500 -8.154 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.001 -8.072 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.369 -9.482 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.079 -8.857 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.544 -7.242 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.108 -8.654 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.743 -8.196 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.293 -9.760 4.765 1.00 0.00 H new ATOM 435 N LYS A 29 -5.255 -6.618 -1.221 1.00 0.00 N ATOM 436 CA LYS A 29 -5.427 -7.279 -2.504 1.00 0.00 C ATOM 437 C LYS A 29 -5.639 -6.224 -3.592 1.00 0.00 C ATOM 438 O LYS A 29 -4.899 -6.182 -4.573 1.00 0.00 O ATOM 439 CB LYS A 29 -6.549 -8.317 -2.427 1.00 0.00 C ATOM 440 CG LYS A 29 -6.050 -9.618 -1.797 1.00 0.00 C ATOM 441 CD LYS A 29 -7.215 -10.449 -1.258 1.00 0.00 C ATOM 442 CE LYS A 29 -8.436 -10.339 -2.175 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.126 -10.876 -3.518 1.00 0.00 N ATOM 0 H LYS A 29 -6.027 -6.749 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.528 -7.835 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.377 -7.919 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.933 -8.517 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.498 -10.197 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.356 -9.391 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.913 -11.493 -1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.476 -10.109 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.273 -10.887 -1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.744 -9.297 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.154 -10.105 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.177 -11.302 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.829 -11.599 -3.773 1.00 0.00 H new ATOM 457 N ASP A 30 -6.654 -5.397 -3.380 1.00 0.00 N ATOM 458 CA ASP A 30 -6.972 -4.345 -4.330 1.00 0.00 C ATOM 459 C ASP A 30 -5.676 -3.681 -4.804 1.00 0.00 C ATOM 460 O ASP A 30 -5.426 -3.585 -6.004 1.00 0.00 O ATOM 461 CB ASP A 30 -7.847 -3.269 -3.687 1.00 0.00 C ATOM 462 CG ASP A 30 -9.345 -3.394 -3.976 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.673 -3.998 -5.019 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.127 -2.884 -3.145 1.00 0.00 O ATOM 0 H ASP A 30 -7.266 -5.435 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.509 -4.796 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.697 -3.297 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.506 -2.292 -4.030 1.00 0.00 H new ATOM 470 N PHE A 31 -4.887 -3.241 -3.834 1.00 0.00 N ATOM 471 CA PHE A 31 -3.624 -2.589 -4.137 1.00 0.00 C ATOM 472 C PHE A 31 -2.877 -3.330 -5.248 1.00 0.00 C ATOM 473 O PHE A 31 -2.652 -2.779 -6.323 1.00 0.00 O ATOM 474 CB PHE A 31 -2.784 -2.628 -2.859 1.00 0.00 C ATOM 475 CG PHE A 31 -1.308 -2.287 -3.074 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.443 -3.248 -3.495 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.862 -1.024 -2.844 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.927 -2.932 -3.695 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.508 -0.707 -3.043 1.00 0.00 C ATOM 480 CZ PHE A 31 1.374 -1.668 -3.465 1.00 0.00 C ATOM 0 H PHE A 31 -5.098 -3.323 -2.839 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.803 -1.568 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.206 -1.929 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.856 -3.623 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.798 -4.252 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.550 -0.261 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.614 -3.695 -4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.862 0.297 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.416 -1.427 -3.617 1.00 0.00 H new ATOM 490 N ASP A 32 -2.513 -4.568 -4.947 1.00 0.00 N ATOM 491 CA ASP A 32 -1.796 -5.390 -5.908 1.00 0.00 C ATOM 492 C ASP A 32 -2.454 -5.255 -7.281 1.00 0.00 C ATOM 493 O ASP A 32 -1.773 -5.280 -8.306 1.00 0.00 O ATOM 494 CB ASP A 32 -1.836 -6.866 -5.507 1.00 0.00 C ATOM 495 CG ASP A 32 -0.837 -7.763 -6.241 1.00 0.00 C ATOM 496 OD1 ASP A 32 -1.186 -8.210 -7.354 1.00 0.00 O ATOM 497 OD2 ASP A 32 0.255 -7.982 -5.672 1.00 0.00 O ATOM 0 H ASP A 32 -2.701 -5.021 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.760 -5.051 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.650 -6.941 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.842 -7.248 -5.683 1.00 0.00 H new ATOM 503 N ALA A 33 -3.772 -5.114 -7.259 1.00 0.00 N ATOM 504 CA ALA A 33 -4.530 -4.975 -8.491 1.00 0.00 C ATOM 505 C ALA A 33 -4.050 -3.732 -9.243 1.00 0.00 C ATOM 506 O ALA A 33 -3.625 -3.824 -10.393 1.00 0.00 O ATOM 507 CB ALA A 33 -6.025 -4.920 -8.167 1.00 0.00 C ATOM 0 H ALA A 33 -4.334 -5.093 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.368 -5.835 -9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.594 -4.816 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.321 -5.838 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.226 -4.067 -7.519 1.00 0.00 H new ATOM 513 N GLU A 34 -4.135 -2.599 -8.562 1.00 0.00 N ATOM 514 CA GLU A 34 -3.714 -1.339 -9.151 1.00 0.00 C ATOM 515 C GLU A 34 -2.224 -1.107 -8.900 1.00 0.00 C ATOM 516 O GLU A 34 -1.769 0.035 -8.847 1.00 0.00 O ATOM 517 CB GLU A 34 -4.549 -0.176 -8.611 1.00 0.00 C ATOM 518 CG GLU A 34 -4.306 1.097 -9.424 1.00 0.00 C ATOM 519 CD GLU A 34 -4.365 0.807 -10.926 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.499 0.762 -11.450 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.277 0.639 -11.515 1.00 0.00 O ATOM 0 H GLU A 34 -4.489 -2.527 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.877 -1.391 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.607 -0.437 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.298 0.002 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.054 1.847 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.333 1.516 -9.169 1.00 0.00 H new ATOM 529 N CYS A 35 -1.502 -2.209 -8.753 1.00 0.00 N ATOM 530 CA CYS A 35 -0.072 -2.141 -8.509 1.00 0.00 C ATOM 531 C CYS A 35 0.644 -2.888 -9.636 1.00 0.00 C ATOM 532 O CYS A 35 1.498 -2.321 -10.316 1.00 0.00 O ATOM 533 CB CYS A 35 0.295 -2.698 -7.132 1.00 0.00 C ATOM 534 SG CYS A 35 1.737 -1.898 -6.339 1.00 0.00 S ATOM 0 H CYS A 35 -1.882 -3.155 -8.798 1.00 0.00 H new ATOM 0 HA CYS A 35 0.249 -1.099 -8.504 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.567 -2.596 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.497 -3.765 -7.229 1.00 0.00 H new ATOM 539 N LYS A 36 0.270 -4.148 -9.798 1.00 0.00 N ATOM 540 CA LYS A 36 0.866 -4.978 -10.831 1.00 0.00 C ATOM 541 C LYS A 36 0.484 -4.427 -12.206 1.00 0.00 C ATOM 542 O LYS A 36 1.291 -4.448 -13.134 1.00 0.00 O ATOM 543 CB LYS A 36 0.481 -6.445 -10.628 1.00 0.00 C ATOM 544 CG LYS A 36 1.517 -7.169 -9.765 1.00 0.00 C ATOM 545 CD LYS A 36 1.890 -8.521 -10.376 1.00 0.00 C ATOM 546 CE LYS A 36 2.522 -9.440 -9.328 1.00 0.00 C ATOM 547 NZ LYS A 36 1.921 -10.791 -9.393 1.00 0.00 N ATOM 0 H LYS A 36 -0.438 -4.615 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 36 1.954 -4.945 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.499 -6.505 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.398 -6.940 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.410 -6.551 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.120 -7.317 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.000 -8.995 -10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.586 -8.372 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.597 -9.506 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.378 -9.019 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.361 -11.402 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.899 -10.725 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.080 -11.197 -10.337 1.00 0.00 H new ATOM 561 N LYS A 37 -0.748 -3.946 -12.294 1.00 0.00 N ATOM 562 CA LYS A 37 -1.247 -3.390 -13.540 1.00 0.00 C ATOM 563 C LYS A 37 -0.647 -1.998 -13.749 1.00 0.00 C ATOM 564 O LYS A 37 -0.241 -1.654 -14.858 1.00 0.00 O ATOM 565 CB LYS A 37 -2.777 -3.409 -13.560 1.00 0.00 C ATOM 566 CG LYS A 37 -3.310 -4.836 -13.419 1.00 0.00 C ATOM 567 CD LYS A 37 -3.051 -5.646 -14.691 1.00 0.00 C ATOM 568 CE LYS A 37 -2.544 -7.050 -14.354 1.00 0.00 C ATOM 569 NZ LYS A 37 -1.191 -6.982 -13.757 1.00 0.00 N ATOM 0 H LYS A 37 -1.415 -3.930 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.932 -4.004 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.162 -2.791 -12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.137 -2.973 -14.492 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.833 -5.324 -12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.380 -4.810 -13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.969 -5.717 -15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.318 -5.130 -15.312 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.231 -7.534 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.520 -7.661 -15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.713 -7.898 -13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.639 -6.240 -14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.269 -6.760 -12.744 1.00 0.00 H new ATOM 583 N LEU A 38 -0.610 -1.235 -12.666 1.00 0.00 N ATOM 584 CA LEU A 38 -0.066 0.111 -12.718 1.00 0.00 C ATOM 585 C LEU A 38 1.450 0.037 -12.910 1.00 0.00 C ATOM 586 O LEU A 38 1.984 0.577 -13.877 1.00 0.00 O ATOM 587 CB LEU A 38 -0.491 0.908 -11.483 1.00 0.00 C ATOM 588 CG LEU A 38 0.601 1.744 -10.815 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.046 2.893 -11.723 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.149 2.241 -9.441 1.00 0.00 C ATOM 0 H LEU A 38 -0.948 -1.524 -11.748 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.470 0.652 -13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.307 1.573 -11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.890 0.212 -10.745 1.00 0.00 H new ATOM 0 HG LEU A 38 1.470 1.105 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.823 3.471 -11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.438 2.488 -12.656 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.194 3.539 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.945 2.833 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.743 2.857 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.077 1.388 -8.802 1.00 0.00 H new ATOM 602 N PHE A 39 2.101 -0.636 -11.972 1.00 0.00 N ATOM 603 CA PHE A 39 3.545 -0.788 -12.026 1.00 0.00 C ATOM 604 C PHE A 39 3.937 -2.010 -12.859 1.00 0.00 C ATOM 605 O PHE A 39 5.015 -2.574 -12.672 1.00 0.00 O ATOM 606 CB PHE A 39 4.027 -0.989 -10.588 1.00 0.00 C ATOM 607 CG PHE A 39 3.539 0.083 -9.612 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.068 1.335 -9.656 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.575 -0.216 -8.701 1.00 0.00 C ATOM 610 CE1 PHE A 39 3.614 2.330 -8.750 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.121 0.779 -7.794 1.00 0.00 C ATOM 612 CZ PHE A 39 2.650 2.031 -7.838 1.00 0.00 C ATOM 0 H PHE A 39 1.655 -1.082 -11.170 1.00 0.00 H new ATOM 0 HA PHE A 39 3.995 0.091 -12.487 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.692 -1.965 -10.237 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.117 -1.004 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.833 1.573 -10.380 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.154 -1.210 -8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.034 3.324 -8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.356 0.541 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.305 2.788 -7.149 1.00 0.00 H new ATOM 622 N HIS A 40 3.041 -2.384 -13.761 1.00 0.00 N ATOM 623 CA HIS A 40 3.281 -3.528 -14.622 1.00 0.00 C ATOM 624 C HIS A 40 4.568 -3.311 -15.421 1.00 0.00 C ATOM 625 O HIS A 40 5.144 -4.260 -15.948 1.00 0.00 O ATOM 626 CB HIS A 40 2.068 -3.799 -15.516 1.00 0.00 C ATOM 627 CG HIS A 40 2.216 -3.281 -16.927 1.00 0.00 C ATOM 628 ND1 HIS A 40 1.428 -2.267 -17.440 1.00 0.00 N ATOM 629 CD2 HIS A 40 3.071 -3.648 -17.925 1.00 0.00 C ATOM 630 CE1 HIS A 40 1.798 -2.042 -18.692 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.817 -2.899 -18.990 1.00 0.00 N ATOM 0 H HIS A 40 2.148 -1.915 -13.914 1.00 0.00 H new ATOM 0 HA HIS A 40 3.419 -4.421 -14.013 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.889 -4.874 -15.551 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.187 -3.344 -15.063 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.688 -1.776 -16.939 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.826 -4.417 -17.859 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.369 -1.309 -19.359 1.00 0.00 H new ATOM 640 N THR A 41 4.981 -2.054 -15.483 1.00 0.00 N ATOM 641 CA THR A 41 6.189 -1.698 -16.208 1.00 0.00 C ATOM 642 C THR A 41 7.408 -1.780 -15.287 1.00 0.00 C ATOM 643 O THR A 41 8.365 -2.496 -15.579 1.00 0.00 O ATOM 644 CB THR A 41 5.984 -0.311 -16.820 1.00 0.00 C ATOM 645 OG1 THR A 41 5.503 0.479 -15.736 1.00 0.00 O ATOM 646 CG2 THR A 41 4.839 -0.283 -17.836 1.00 0.00 C ATOM 0 H THR A 41 4.501 -1.269 -15.043 1.00 0.00 H new ATOM 0 HA THR A 41 6.384 -2.401 -17.018 1.00 0.00 H new ATOM 0 HB THR A 41 6.906 0.013 -17.302 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.345 1.396 -16.044 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.736 0.724 -18.240 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.055 -0.979 -18.647 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.910 -0.574 -17.345 1.00 0.00 H new ATOM 654 N ILE A 42 7.333 -1.038 -14.191 1.00 0.00 N ATOM 655 CA ILE A 42 8.417 -1.018 -13.225 1.00 0.00 C ATOM 656 C ILE A 42 9.151 -2.360 -13.261 1.00 0.00 C ATOM 657 O ILE A 42 8.523 -3.412 -13.374 1.00 0.00 O ATOM 658 CB ILE A 42 7.892 -0.641 -11.839 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.761 0.385 -11.940 1.00 0.00 C ATOM 660 CG2 ILE A 42 9.028 -0.153 -10.936 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.189 1.590 -12.781 1.00 0.00 C ATOM 0 H ILE A 42 6.537 -0.446 -13.951 1.00 0.00 H new ATOM 0 HA ILE A 42 9.145 -0.249 -13.485 1.00 0.00 H new ATOM 0 HB ILE A 42 7.475 -1.536 -11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.882 -0.080 -12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.475 0.716 -10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.627 0.109 -9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.770 -0.944 -10.825 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.496 0.724 -11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.368 2.304 -12.837 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.054 2.067 -12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.451 1.258 -13.786 1.00 0.00 H new ATOM 673 N PRO A 43 10.505 -2.277 -13.159 1.00 0.00 N ATOM 674 CA PRO A 43 11.331 -3.473 -13.179 1.00 0.00 C ATOM 675 C PRO A 43 11.242 -4.222 -11.847 1.00 0.00 C ATOM 676 O PRO A 43 11.864 -3.825 -10.864 1.00 0.00 O ATOM 677 CB PRO A 43 12.734 -2.977 -13.488 1.00 0.00 C ATOM 678 CG PRO A 43 12.729 -1.491 -13.172 1.00 0.00 C ATOM 679 CD PRO A 43 11.282 -1.049 -13.024 1.00 0.00 C ATOM 0 HA PRO A 43 11.005 -4.197 -13.926 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.475 -3.502 -12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.989 -3.153 -14.533 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.284 -1.294 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.220 -0.930 -13.968 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.109 -0.575 -12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.010 -0.322 -13.789 1.00 0.00 H new ATOM 687 N PHE A 44 10.463 -5.294 -11.860 1.00 0.00 N ATOM 688 CA PHE A 44 10.285 -6.103 -10.665 1.00 0.00 C ATOM 689 C PHE A 44 9.353 -5.411 -9.669 1.00 0.00 C ATOM 690 O PHE A 44 9.045 -5.964 -8.615 1.00 0.00 O ATOM 691 CB PHE A 44 11.665 -6.267 -10.026 1.00 0.00 C ATOM 692 CG PHE A 44 12.810 -6.374 -11.035 1.00 0.00 C ATOM 693 CD1 PHE A 44 12.731 -7.263 -12.061 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.907 -5.580 -10.906 1.00 0.00 C ATOM 695 CE1 PHE A 44 13.794 -7.363 -12.997 1.00 0.00 C ATOM 696 CE2 PHE A 44 14.969 -5.680 -11.842 1.00 0.00 C ATOM 697 CZ PHE A 44 14.890 -6.569 -12.869 1.00 0.00 C ATOM 0 H PHE A 44 9.948 -5.621 -12.678 1.00 0.00 H new ATOM 0 HA PHE A 44 9.842 -7.064 -10.928 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.852 -5.418 -9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.661 -7.160 -9.401 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.860 -7.893 -12.164 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.970 -4.874 -10.091 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.732 -8.070 -13.811 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.840 -5.050 -11.739 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.698 -6.644 -13.582 1.00 0.00 H new ATOM 707 N GLY A 45 8.930 -4.211 -10.038 1.00 0.00 N ATOM 708 CA GLY A 45 8.039 -3.438 -9.189 1.00 0.00 C ATOM 709 C GLY A 45 6.903 -4.309 -8.650 1.00 0.00 C ATOM 710 O GLY A 45 6.546 -4.213 -7.475 1.00 0.00 O ATOM 0 H GLY A 45 9.188 -3.755 -10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.601 -3.012 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.625 -2.603 -9.755 1.00 0.00 H new ATOM 714 N THR A 46 6.366 -5.139 -9.532 1.00 0.00 N ATOM 715 CA THR A 46 5.277 -6.026 -9.159 1.00 0.00 C ATOM 716 C THR A 46 5.643 -6.820 -7.903 1.00 0.00 C ATOM 717 O THR A 46 4.848 -6.913 -6.970 1.00 0.00 O ATOM 718 CB THR A 46 4.954 -6.910 -10.364 1.00 0.00 C ATOM 719 OG1 THR A 46 6.139 -7.679 -10.559 1.00 0.00 O ATOM 720 CG2 THR A 46 4.814 -6.107 -11.659 1.00 0.00 C ATOM 0 H THR A 46 6.665 -5.216 -10.504 1.00 0.00 H new ATOM 0 HA THR A 46 4.380 -5.464 -8.900 1.00 0.00 H new ATOM 0 HB THR A 46 4.031 -7.457 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.016 -8.282 -11.322 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.585 -6.783 -12.483 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.009 -5.380 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.748 -5.586 -11.867 1.00 0.00 H new ATOM 728 N ARG A 47 6.848 -7.372 -7.921 1.00 0.00 N ATOM 729 CA ARG A 47 7.329 -8.156 -6.796 1.00 0.00 C ATOM 730 C ARG A 47 7.191 -7.358 -5.496 1.00 0.00 C ATOM 731 O ARG A 47 6.847 -7.916 -4.455 1.00 0.00 O ATOM 732 CB ARG A 47 8.793 -8.554 -6.988 1.00 0.00 C ATOM 733 CG ARG A 47 8.937 -9.594 -8.101 1.00 0.00 C ATOM 734 CD ARG A 47 8.251 -10.907 -7.717 1.00 0.00 C ATOM 735 NE ARG A 47 8.937 -12.046 -8.368 1.00 0.00 N ATOM 736 CZ ARG A 47 8.843 -13.316 -7.952 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.092 -13.618 -6.885 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.501 -14.284 -8.604 1.00 0.00 N ATOM 0 H ARG A 47 7.505 -7.292 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 47 6.723 -9.060 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.385 -7.671 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.189 -8.956 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.502 -9.208 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.993 -9.776 -8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.268 -11.032 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.204 -10.882 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 47 9.517 -11.852 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.591 -12.881 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.021 -14.585 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.073 -14.054 -9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.430 -15.251 -8.288 1.00 0.00 H new ATOM 752 N GLU A 48 7.466 -6.067 -5.600 1.00 0.00 N ATOM 753 CA GLU A 48 7.376 -5.188 -4.447 1.00 0.00 C ATOM 754 C GLU A 48 5.911 -4.943 -4.078 1.00 0.00 C ATOM 755 O GLU A 48 5.576 -4.826 -2.901 1.00 0.00 O ATOM 756 CB GLU A 48 8.104 -3.867 -4.706 1.00 0.00 C ATOM 757 CG GLU A 48 9.537 -3.917 -4.173 1.00 0.00 C ATOM 758 CD GLU A 48 9.557 -4.284 -2.687 1.00 0.00 C ATOM 759 OE1 GLU A 48 9.073 -3.451 -1.891 1.00 0.00 O ATOM 760 OE2 GLU A 48 10.054 -5.389 -2.382 1.00 0.00 O ATOM 0 H GLU A 48 7.751 -5.608 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 48 7.866 -5.676 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.117 -3.659 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.563 -3.050 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.114 -4.648 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.017 -2.949 -4.319 1.00 0.00 H new ATOM 768 N CYS A 49 5.079 -4.872 -5.107 1.00 0.00 N ATOM 769 CA CYS A 49 3.658 -4.644 -4.906 1.00 0.00 C ATOM 770 C CYS A 49 3.126 -5.726 -3.965 1.00 0.00 C ATOM 771 O CYS A 49 2.580 -5.419 -2.906 1.00 0.00 O ATOM 772 CB CYS A 49 2.896 -4.616 -6.233 1.00 0.00 C ATOM 773 SG CYS A 49 3.238 -3.157 -7.284 1.00 0.00 S ATOM 0 H CYS A 49 5.362 -4.968 -6.082 1.00 0.00 H new ATOM 0 HA CYS A 49 3.505 -3.664 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.141 -5.517 -6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.827 -4.652 -6.023 1.00 0.00 H new ATOM 778 N ASP A 50 3.304 -6.970 -4.385 1.00 0.00 N ATOM 779 CA ASP A 50 2.848 -8.100 -3.592 1.00 0.00 C ATOM 780 C ASP A 50 3.554 -8.083 -2.235 1.00 0.00 C ATOM 781 O ASP A 50 3.014 -8.568 -1.243 1.00 0.00 O ATOM 782 CB ASP A 50 3.180 -9.425 -4.280 1.00 0.00 C ATOM 783 CG ASP A 50 2.119 -10.517 -4.125 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.480 -10.539 -3.052 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.971 -11.304 -5.084 1.00 0.00 O ATOM 0 H ASP A 50 3.757 -7.221 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 50 1.768 -8.015 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.334 -9.237 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.124 -9.797 -3.882 1.00 0.00 H new ATOM 791 N HIS A 51 4.754 -7.520 -2.234 1.00 0.00 N ATOM 792 CA HIS A 51 5.540 -7.433 -1.015 1.00 0.00 C ATOM 793 C HIS A 51 5.064 -6.242 -0.181 1.00 0.00 C ATOM 794 O HIS A 51 5.588 -5.990 0.903 1.00 0.00 O ATOM 795 CB HIS A 51 7.034 -7.373 -1.335 1.00 0.00 C ATOM 796 CG HIS A 51 7.912 -8.028 -0.297 1.00 0.00 C ATOM 797 ND1 HIS A 51 8.181 -9.386 -0.293 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.579 -7.501 0.769 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.974 -9.653 0.735 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.219 -8.483 1.392 1.00 0.00 N ATOM 0 H HIS A 51 5.201 -7.119 -3.059 1.00 0.00 H new ATOM 0 HA HIS A 51 5.392 -8.333 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.208 -7.853 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.331 -6.329 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.586 -6.460 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.358 -10.626 1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.799 -8.380 2.225 1.00 0.00 H new ATOM 809 N TYR A 52 4.076 -5.540 -0.718 1.00 0.00 N ATOM 810 CA TYR A 52 3.523 -4.383 -0.037 1.00 0.00 C ATOM 811 C TYR A 52 2.193 -4.725 0.636 1.00 0.00 C ATOM 812 O TYR A 52 1.838 -4.134 1.654 1.00 0.00 O ATOM 813 CB TYR A 52 3.277 -3.333 -1.123 1.00 0.00 C ATOM 814 CG TYR A 52 3.302 -1.891 -0.611 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.504 -1.292 -0.296 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.122 -1.190 -0.465 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.528 0.065 0.186 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.145 0.167 0.017 1.00 0.00 C ATOM 819 CZ TYR A 52 3.348 0.728 0.319 1.00 0.00 C ATOM 820 OH TYR A 52 3.370 2.009 0.773 1.00 0.00 O ATOM 0 H TYR A 52 3.645 -5.751 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 52 4.205 -4.032 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.033 -3.445 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.310 -3.526 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.427 -1.841 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.181 -1.659 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.462 0.545 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.229 0.727 0.136 1.00 0.00 H new ATOM 0 HH TYR A 52 4.024 2.527 0.259 1.00 0.00 H new ATOM 830 N VAL A 53 1.493 -5.679 0.039 1.00 0.00 N ATOM 831 CA VAL A 53 0.209 -6.108 0.568 1.00 0.00 C ATOM 832 C VAL A 53 0.427 -7.257 1.555 1.00 0.00 C ATOM 833 O VAL A 53 -0.395 -8.167 1.644 1.00 0.00 O ATOM 834 CB VAL A 53 -0.733 -6.476 -0.579 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.517 -5.557 -1.783 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.567 -7.944 -0.975 1.00 0.00 C ATOM 0 H VAL A 53 1.791 -6.167 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.269 -5.296 1.115 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.756 -6.336 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.199 -5.841 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.709 -4.524 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.511 -5.650 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.248 -8.180 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.460 -8.120 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.794 -8.580 -0.119 1.00 0.00 H new ATOM 846 N ASN A 54 1.538 -7.175 2.272 1.00 0.00 N ATOM 847 CA ASN A 54 1.874 -8.196 3.249 1.00 0.00 C ATOM 848 C ASN A 54 3.193 -7.829 3.932 1.00 0.00 C ATOM 849 O ASN A 54 4.080 -8.670 4.073 1.00 0.00 O ATOM 850 CB ASN A 54 2.053 -9.562 2.580 1.00 0.00 C ATOM 851 CG ASN A 54 1.469 -10.678 3.448 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.438 -10.530 4.084 1.00 0.00 O ATOM 853 ND2 ASN A 54 2.182 -11.800 3.439 1.00 0.00 N ATOM 0 H ASN A 54 2.217 -6.417 2.196 1.00 0.00 H new ATOM 0 HA ASN A 54 1.060 -8.251 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.564 -9.561 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.112 -9.749 2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.875 -12.604 3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.036 -11.857 2.884 1.00 0.00 H new ATOM 860 N SER A 55 3.282 -6.571 4.339 1.00 0.00 N ATOM 861 CA SER A 55 4.477 -6.081 5.004 1.00 0.00 C ATOM 862 C SER A 55 4.419 -4.558 5.130 1.00 0.00 C ATOM 863 O SER A 55 4.953 -3.990 6.082 1.00 0.00 O ATOM 864 CB SER A 55 5.739 -6.503 4.249 1.00 0.00 C ATOM 865 OG SER A 55 6.520 -7.435 4.992 1.00 0.00 O ATOM 0 H SER A 55 2.545 -5.876 4.221 1.00 0.00 H new ATOM 0 HA SER A 55 4.518 -6.520 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.458 -6.946 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.341 -5.621 4.027 1.00 0.00 H new ATOM 0 HG SER A 55 6.054 -8.296 5.030 1.00 0.00 H new ATOM 871 N LYS A 56 3.765 -3.939 4.158 1.00 0.00 N ATOM 872 CA LYS A 56 3.630 -2.493 4.149 1.00 0.00 C ATOM 873 C LYS A 56 2.150 -2.122 4.259 1.00 0.00 C ATOM 874 O LYS A 56 1.807 -0.946 4.371 1.00 0.00 O ATOM 875 CB LYS A 56 4.323 -1.898 2.922 1.00 0.00 C ATOM 876 CG LYS A 56 5.638 -2.624 2.629 1.00 0.00 C ATOM 877 CD LYS A 56 6.705 -2.265 3.665 1.00 0.00 C ATOM 878 CE LYS A 56 7.843 -3.287 3.657 1.00 0.00 C ATOM 879 NZ LYS A 56 9.070 -2.692 3.084 1.00 0.00 N ATOM 0 H LYS A 56 3.323 -4.413 3.371 1.00 0.00 H new ATOM 0 HA LYS A 56 4.133 -2.058 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.663 -1.969 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.518 -0.838 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.471 -3.701 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.990 -2.358 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.102 -1.272 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.255 -2.225 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.038 -3.630 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.550 -4.161 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.832 -3.399 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.884 -2.386 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.357 -1.872 3.655 1.00 0.00 H new ATOM 893 N VAL A 57 1.312 -3.148 4.223 1.00 0.00 N ATOM 894 CA VAL A 57 -0.124 -2.946 4.317 1.00 0.00 C ATOM 895 C VAL A 57 -0.573 -3.172 5.761 1.00 0.00 C ATOM 896 O VAL A 57 -1.312 -2.363 6.320 1.00 0.00 O ATOM 897 CB VAL A 57 -0.847 -3.850 3.317 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.195 -4.315 3.873 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.022 -3.148 1.969 1.00 0.00 C ATOM 0 H VAL A 57 1.600 -4.122 4.130 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.383 -1.921 4.053 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.229 -4.733 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.688 -4.956 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.035 -4.873 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.823 -3.448 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.539 -3.813 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.608 -2.239 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.044 -2.891 1.563 1.00 0.00 H new ATOM 909 N ASP A 58 -0.108 -4.277 6.326 1.00 0.00 N ATOM 910 CA ASP A 58 -0.453 -4.621 7.694 1.00 0.00 C ATOM 911 C ASP A 58 -0.158 -3.427 8.605 1.00 0.00 C ATOM 912 O ASP A 58 -0.962 -3.090 9.473 1.00 0.00 O ATOM 913 CB ASP A 58 0.375 -5.808 8.189 1.00 0.00 C ATOM 914 CG ASP A 58 -0.439 -7.028 8.624 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.400 -6.823 9.398 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.083 -8.139 8.173 1.00 0.00 O ATOM 0 H ASP A 58 0.505 -4.946 5.860 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.511 -4.883 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.059 -6.110 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.987 -5.480 9.029 1.00 0.00 H new ATOM 922 N PRO A 59 1.028 -2.803 8.370 1.00 0.00 N ATOM 923 CA PRO A 59 1.438 -1.655 9.159 1.00 0.00 C ATOM 924 C PRO A 59 0.660 -0.402 8.751 1.00 0.00 C ATOM 925 O PRO A 59 0.020 0.235 9.585 1.00 0.00 O ATOM 926 CB PRO A 59 2.934 -1.528 8.920 1.00 0.00 C ATOM 927 CG PRO A 59 3.222 -2.317 7.653 1.00 0.00 C ATOM 928 CD PRO A 59 2.005 -3.176 7.351 1.00 0.00 C ATOM 0 HA PRO A 59 1.226 -1.778 10.221 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.224 -0.484 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.499 -1.924 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.429 -1.642 6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.106 -2.941 7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.624 -2.985 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.246 -4.238 7.403 1.00 0.00 H new ATOM 936 N ILE A 60 0.741 -0.087 7.465 1.00 0.00 N ATOM 937 CA ILE A 60 0.052 1.077 6.936 1.00 0.00 C ATOM 938 C ILE A 60 -1.377 1.111 7.483 1.00 0.00 C ATOM 939 O ILE A 60 -1.774 2.077 8.134 1.00 0.00 O ATOM 940 CB ILE A 60 0.126 1.095 5.408 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.497 1.581 4.932 1.00 0.00 C ATOM 942 CG2 ILE A 60 -1.015 1.924 4.814 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.564 1.619 3.404 1.00 0.00 C ATOM 0 H ILE A 60 1.273 -0.618 6.776 1.00 0.00 H new ATOM 0 HA ILE A 60 0.542 1.993 7.267 1.00 0.00 H new ATOM 0 HB ILE A 60 0.003 0.074 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.694 2.575 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.275 0.922 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.939 1.921 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.971 1.494 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.948 2.949 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.548 1.968 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.391 0.619 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.801 2.298 3.023 1.00 0.00 H new ATOM 955 N ILE A 61 -2.112 0.046 7.198 1.00 0.00 N ATOM 956 CA ILE A 61 -3.487 -0.059 7.653 1.00 0.00 C ATOM 957 C ILE A 61 -3.522 0.009 9.181 1.00 0.00 C ATOM 958 O ILE A 61 -4.548 0.348 9.768 1.00 0.00 O ATOM 959 CB ILE A 61 -4.148 -1.313 7.078 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.951 -1.391 5.563 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.626 -1.381 7.468 1.00 0.00 C ATOM 962 CD1 ILE A 61 -5.122 -2.113 4.894 1.00 0.00 C ATOM 0 H ILE A 61 -1.780 -0.752 6.657 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.075 0.781 7.283 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.660 -2.186 7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.857 -0.386 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.021 -1.914 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.072 -2.282 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.715 -1.406 8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.145 -0.504 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.957 -2.155 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.198 -3.126 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.047 -1.573 5.098 1.00 0.00 H new ATOM 974 N HIS A 62 -2.386 -0.318 9.782 1.00 0.00 N ATOM 975 CA HIS A 62 -2.274 -0.299 11.230 1.00 0.00 C ATOM 976 C HIS A 62 -2.428 1.136 11.738 1.00 0.00 C ATOM 977 O HIS A 62 -2.914 1.358 12.845 1.00 0.00 O ATOM 978 CB HIS A 62 -0.965 -0.951 11.681 1.00 0.00 C ATOM 979 CG HIS A 62 0.030 0.018 12.276 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.718 -0.240 13.449 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.445 1.244 11.848 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.508 0.791 13.706 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.338 1.710 12.713 1.00 0.00 N ATOM 0 H HIS A 62 -1.536 -0.597 9.292 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.077 -0.890 11.669 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.190 -1.723 12.417 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.506 -1.449 10.827 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.631 -1.082 14.019 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.105 1.750 10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.171 0.887 14.553 1.00 0.00 H new ATOM 992 N GLU A 63 -2.003 2.074 10.903 1.00 0.00 N ATOM 993 CA GLU A 63 -2.087 3.481 11.253 1.00 0.00 C ATOM 994 C GLU A 63 -3.483 4.024 10.940 1.00 0.00 C ATOM 995 O GLU A 63 -4.169 4.531 11.826 1.00 0.00 O ATOM 996 CB GLU A 63 -1.010 4.292 10.531 1.00 0.00 C ATOM 997 CG GLU A 63 0.265 4.383 11.372 1.00 0.00 C ATOM 998 CD GLU A 63 1.510 4.173 10.507 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.669 3.038 10.008 1.00 0.00 O ATOM 1000 OE2 GLU A 63 2.272 5.152 10.364 1.00 0.00 O ATOM 0 H GLU A 63 -1.600 1.886 9.985 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.912 3.579 12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.784 3.829 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.384 5.294 10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.316 5.358 11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.237 3.634 12.163 1.00 0.00 H new ATOM 1008 N LEU A 64 -3.863 3.898 9.677 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.164 4.369 9.237 1.00 0.00 C ATOM 1010 C LEU A 64 -6.246 3.801 10.157 1.00 0.00 C ATOM 1011 O LEU A 64 -7.133 4.529 10.602 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.381 4.040 7.758 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.282 4.507 6.800 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.142 3.546 5.617 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.529 5.946 6.342 1.00 0.00 C ATOM 0 H LEU A 64 -3.292 3.476 8.945 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.220 5.455 9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.488 2.960 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.325 4.484 7.442 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.334 4.498 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.355 3.900 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.887 2.552 5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.085 3.500 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.734 6.253 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.488 6.005 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.541 6.607 7.209 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.138 2.506 10.415 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.096 1.833 11.275 1.00 0.00 C ATOM 1029 C GLU A 65 -7.063 2.436 12.681 1.00 0.00 C ATOM 1030 O GLU A 65 -8.102 2.575 13.325 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.830 0.326 11.318 1.00 0.00 C ATOM 1032 CG GLU A 65 -5.632 0.006 12.215 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.060 -0.112 13.680 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.186 -0.605 13.903 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.250 0.294 14.541 1.00 0.00 O ATOM 0 H GLU A 65 -5.402 1.905 10.044 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.093 1.981 10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.715 -0.193 11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.643 -0.043 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.169 -0.926 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.879 0.787 12.114 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.859 2.775 13.117 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.676 3.359 14.434 1.00 0.00 C ATOM 1045 C GLY A 66 -6.346 4.732 14.523 1.00 0.00 C ATOM 1046 O GLY A 66 -6.744 5.164 15.604 1.00 0.00 O ATOM 0 H GLY A 66 -5.000 2.656 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.095 2.696 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.612 3.455 14.648 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.451 5.379 13.372 1.00 0.00 N ATOM 1051 CA GLY A 67 -7.067 6.694 13.305 1.00 0.00 C ATOM 1052 C GLY A 67 -6.156 7.690 12.583 1.00 0.00 C ATOM 1053 O GLY A 67 -6.523 8.849 12.394 1.00 0.00 O ATOM 0 H GLY A 67 -6.120 5.017 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.022 6.626 12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.278 7.053 14.313 1.00 0.00 H new ATOM 1057 N THR A 68 -4.986 7.201 12.199 1.00 0.00 N ATOM 1058 CA THR A 68 -4.020 8.033 11.501 1.00 0.00 C ATOM 1059 C THR A 68 -4.508 8.344 10.085 1.00 0.00 C ATOM 1060 O THR A 68 -5.339 7.621 9.538 1.00 0.00 O ATOM 1061 CB THR A 68 -2.668 7.318 11.535 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.183 7.554 12.854 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.629 7.986 10.631 1.00 0.00 C ATOM 0 H THR A 68 -4.685 6.239 12.358 1.00 0.00 H new ATOM 0 HA THR A 68 -3.905 9.000 11.990 1.00 0.00 H new ATOM 0 HB THR A 68 -2.799 6.279 11.231 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.310 7.123 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.688 7.439 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.986 7.980 9.601 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.472 9.015 10.955 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.970 9.420 9.531 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.341 9.837 8.189 1.00 0.00 C ATOM 1073 C ALA A 69 -3.471 9.094 7.172 1.00 0.00 C ATOM 1074 O ALA A 69 -2.440 8.526 7.529 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.209 11.356 8.070 1.00 0.00 C ATOM 0 H ALA A 69 -3.280 10.016 9.987 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.381 9.584 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.487 11.668 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.868 11.836 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.178 11.648 8.268 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.930 9.123 5.893 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.206 8.461 4.821 1.00 0.00 C ATOM 1083 C PRO A 70 -1.960 9.256 4.428 1.00 0.00 C ATOM 1084 O PRO A 70 -1.207 8.843 3.547 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.210 8.332 3.688 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.312 9.336 3.991 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.148 9.786 5.433 1.00 0.00 C ATOM 0 HA PRO A 70 -2.827 7.481 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.743 8.543 2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.609 7.319 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.248 10.189 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.292 8.884 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.059 10.870 5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.008 9.498 6.038 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.779 10.383 5.102 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.637 11.240 4.834 1.00 0.00 C ATOM 1097 C LYS A 71 0.319 11.197 6.028 1.00 0.00 C ATOM 1098 O LYS A 71 1.426 11.728 5.961 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.100 12.651 4.467 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.747 12.674 3.082 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.589 13.937 2.890 1.00 0.00 C ATOM 1102 CE LYS A 71 -3.971 13.775 3.524 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.980 14.561 2.778 1.00 0.00 N ATOM 0 H LYS A 71 -2.404 10.722 5.833 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.083 10.877 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.812 13.009 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.250 13.333 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.974 12.628 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.374 11.792 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.078 14.790 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.695 14.149 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.254 12.722 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.942 14.103 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.913 14.439 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.717 15.567 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.020 14.229 1.793 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.144 10.559 7.093 1.00 0.00 N ATOM 1118 CA ASP A 72 0.655 10.439 8.301 1.00 0.00 C ATOM 1119 C ASP A 72 1.312 9.057 8.338 1.00 0.00 C ATOM 1120 O ASP A 72 2.430 8.910 8.830 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.212 10.584 9.553 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.589 12.021 9.915 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.196 12.923 9.552 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.655 12.187 10.547 1.00 0.00 O ATOM 0 H ASP A 72 -1.063 10.119 7.144 1.00 0.00 H new ATOM 0 HA ASP A 72 1.405 11.230 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.127 10.009 9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.317 10.140 10.396 1.00 0.00 H new ATOM 1130 N VAL A 73 0.590 8.080 7.811 1.00 0.00 N ATOM 1131 CA VAL A 73 1.088 6.715 7.777 1.00 0.00 C ATOM 1132 C VAL A 73 2.397 6.675 6.987 1.00 0.00 C ATOM 1133 O VAL A 73 3.405 6.165 7.474 1.00 0.00 O ATOM 1134 CB VAL A 73 0.017 5.781 7.210 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.421 4.315 7.383 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.345 6.054 7.852 1.00 0.00 C ATOM 0 H VAL A 73 -0.337 8.206 7.404 1.00 0.00 H new ATOM 0 HA VAL A 73 1.306 6.362 8.785 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.070 5.981 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.357 3.672 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.358 4.131 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.550 4.096 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.088 5.377 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.278 5.896 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.640 7.084 7.654 1.00 0.00 H new ATOM 1146 N CYS A 74 2.339 7.217 5.780 1.00 0.00 N ATOM 1147 CA CYS A 74 3.508 7.248 4.917 1.00 0.00 C ATOM 1148 C CYS A 74 4.438 8.360 5.408 1.00 0.00 C ATOM 1149 O CYS A 74 4.585 9.389 4.748 1.00 0.00 O ATOM 1150 CB CYS A 74 3.123 7.435 3.448 1.00 0.00 C ATOM 1151 SG CYS A 74 1.416 6.922 3.032 1.00 0.00 S ATOM 0 H CYS A 74 1.501 7.638 5.379 1.00 0.00 H new ATOM 0 HA CYS A 74 4.027 6.291 4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.246 8.486 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.819 6.868 2.829 1.00 0.00 H new ATOM 1156 N THR A 75 5.042 8.116 6.562 1.00 0.00 N ATOM 1157 CA THR A 75 5.953 9.084 7.149 1.00 0.00 C ATOM 1158 C THR A 75 6.414 8.613 8.530 1.00 0.00 C ATOM 1159 O THR A 75 7.582 8.761 8.882 1.00 0.00 O ATOM 1160 CB THR A 75 5.249 10.441 7.173 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.861 11.170 6.112 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.587 11.254 8.426 1.00 0.00 C ATOM 0 H THR A 75 4.918 7.262 7.106 1.00 0.00 H new ATOM 0 HA THR A 75 6.861 9.184 6.555 1.00 0.00 H new ATOM 0 HB THR A 75 4.171 10.291 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.608 10.772 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.061 12.208 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.279 10.700 9.313 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.662 11.433 8.465 1.00 0.00 H new ATOM 1170 N LYS A 76 5.471 8.054 9.274 1.00 0.00 N ATOM 1171 CA LYS A 76 5.764 7.561 10.608 1.00 0.00 C ATOM 1172 C LYS A 76 6.536 6.243 10.501 1.00 0.00 C ATOM 1173 O LYS A 76 7.540 6.051 11.186 1.00 0.00 O ATOM 1174 CB LYS A 76 4.482 7.457 11.437 1.00 0.00 C ATOM 1175 CG LYS A 76 4.312 8.681 12.339 1.00 0.00 C ATOM 1176 CD LYS A 76 2.874 8.788 12.852 1.00 0.00 C ATOM 1177 CE LYS A 76 2.796 9.702 14.076 1.00 0.00 C ATOM 1178 NZ LYS A 76 1.834 9.164 15.063 1.00 0.00 N ATOM 0 H LYS A 76 4.503 7.932 8.978 1.00 0.00 H new ATOM 0 HA LYS A 76 6.403 8.264 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.622 7.367 10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.511 6.553 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.999 8.614 13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.573 9.584 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.230 9.176 12.062 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.501 7.797 13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.782 9.794 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.492 10.703 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.793 9.796 15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.891 9.099 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.141 8.218 15.367 1.00 0.00 H new ATOM 1192 N LEU A 77 6.037 5.371 9.640 1.00 0.00 N ATOM 1193 CA LEU A 77 6.667 4.077 9.434 1.00 0.00 C ATOM 1194 C LEU A 77 7.753 4.208 8.365 1.00 0.00 C ATOM 1195 O LEU A 77 8.196 3.209 7.799 1.00 0.00 O ATOM 1196 CB LEU A 77 5.614 3.014 9.115 1.00 0.00 C ATOM 1197 CG LEU A 77 4.467 2.883 10.119 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.762 1.534 9.971 1.00 0.00 C ATOM 1199 CD2 LEU A 77 4.960 3.119 11.548 1.00 0.00 C ATOM 0 H LEU A 77 5.203 5.534 9.076 1.00 0.00 H new ATOM 0 HA LEU A 77 7.158 3.742 10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.190 3.234 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.114 2.048 9.036 1.00 0.00 H new ATOM 0 HG LEU A 77 3.731 3.657 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.951 1.466 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.357 1.444 8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.475 0.729 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.125 3.020 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.726 2.384 11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.381 4.122 11.627 1.00 0.00 H new ATOM 1211 N ASN A 78 8.152 5.447 8.120 1.00 0.00 N ATOM 1212 CA ASN A 78 9.179 5.721 7.129 1.00 0.00 C ATOM 1213 C ASN A 78 8.832 4.996 5.828 1.00 0.00 C ATOM 1214 O ASN A 78 9.712 4.456 5.159 1.00 0.00 O ATOM 1215 CB ASN A 78 10.546 5.220 7.599 1.00 0.00 C ATOM 1216 CG ASN A 78 11.191 6.213 8.567 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.587 7.182 8.997 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.448 5.920 8.886 1.00 0.00 N ATOM 0 H ASN A 78 7.783 6.273 8.591 1.00 0.00 H new ATOM 0 HA ASN A 78 9.223 6.800 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.434 4.252 8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.198 5.070 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.965 6.522 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.895 5.093 8.490 1.00 0.00 H new ATOM 1225 N GLU A 79 7.546 5.007 5.507 1.00 0.00 N ATOM 1226 CA GLU A 79 7.071 4.356 4.297 1.00 0.00 C ATOM 1227 C GLU A 79 6.550 5.398 3.304 1.00 0.00 C ATOM 1228 O GLU A 79 5.358 5.434 3.005 1.00 0.00 O ATOM 1229 CB GLU A 79 5.993 3.319 4.619 1.00 0.00 C ATOM 1230 CG GLU A 79 4.761 3.983 5.236 1.00 0.00 C ATOM 1231 CD GLU A 79 3.978 2.991 6.097 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.304 1.787 6.017 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.069 3.459 6.818 1.00 0.00 O ATOM 0 H GLU A 79 6.819 5.456 6.063 1.00 0.00 H new ATOM 0 HA GLU A 79 7.908 3.831 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.708 2.790 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.393 2.575 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.068 4.834 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.118 4.371 4.446 1.00 0.00 H new