USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 180:sc= -0.0497 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.4!) USER MOD Set 2.1: A 1 MET CE :methyl 176:sc= -2.75! (180deg=-2.8!) USER MOD Set 2.2: A 22 ASN : amide:sc= -5.28! C(o=-8!,f=-17!) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.121 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0749 K(o=-0.075,f=-4.6!) USER MOD Single : A 4 LYS NZ :NH3+ -148:sc=-0.00193 (180deg=-0.183) USER MOD Single : A 5 THR OG1 : rot 157:sc= -7.24! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 13 ASN : amide:sc= -0.792 K(o=-0.79,f=-2.7!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.261 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= 0.435 (180deg=-0.867) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -1.02 (180deg=-1.41) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0.113 USER MOD Single : A 62 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot 82:sc= 0.281 USER MOD Single : A 67 ASN : amide:sc= -7.77! C(o=-7.8!,f=-5!) USER MOD Single : A 68 HIS : no HD1:sc= -1.33! K(o=-1.3!,f=0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.655 11.277 -2.943 1.00 0.00 N ATOM 2 CA MET A 1 9.987 10.952 -1.526 1.00 0.00 C ATOM 3 C MET A 1 10.363 9.482 -1.410 1.00 0.00 C ATOM 4 O MET A 1 10.503 8.778 -2.390 1.00 0.00 O ATOM 5 CB MET A 1 8.766 11.202 -0.642 1.00 0.00 C ATOM 6 CG MET A 1 8.705 12.681 -0.259 1.00 0.00 C ATOM 7 SD MET A 1 7.898 12.852 1.352 1.00 0.00 S ATOM 8 CE MET A 1 6.795 14.217 0.913 1.00 0.00 C ATOM 0 H1 MET A 1 10.115 12.170 -3.211 1.00 0.00 H new ATOM 0 H2 MET A 1 9.993 10.513 -3.563 1.00 0.00 H new ATOM 0 H3 MET A 1 8.625 11.374 -3.045 1.00 0.00 H new ATOM 0 HA MET A 1 10.819 11.580 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.857 10.915 -1.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.821 10.585 0.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.711 13.100 -0.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.155 13.241 -1.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.142 14.443 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.387 15.098 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.190 13.933 0.052 1.00 0.00 H new ATOM 20 N GLN A 2 10.498 9.006 -0.210 1.00 0.00 N ATOM 21 CA GLN A 2 10.826 7.588 -0.019 1.00 0.00 C ATOM 22 C GLN A 2 9.713 6.959 0.809 1.00 0.00 C ATOM 23 O GLN A 2 9.576 7.225 1.985 1.00 0.00 O ATOM 24 CB GLN A 2 12.167 7.451 0.707 1.00 0.00 C ATOM 25 CG GLN A 2 13.153 8.484 0.160 1.00 0.00 C ATOM 26 CD GLN A 2 13.304 9.627 1.166 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.332 10.242 1.553 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.492 9.939 1.610 1.00 0.00 N ATOM 0 H GLN A 2 10.393 9.548 0.648 1.00 0.00 H new ATOM 0 HA GLN A 2 10.911 7.085 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.029 7.597 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.565 6.445 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.121 8.017 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.799 8.871 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.310 9.423 1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.602 10.699 2.281 1.00 0.00 H new ATOM 37 N CYS A 3 8.906 6.136 0.207 1.00 0.00 N ATOM 38 CA CYS A 3 7.810 5.503 0.979 1.00 0.00 C ATOM 39 C CYS A 3 7.904 3.979 0.801 1.00 0.00 C ATOM 40 O CYS A 3 8.608 3.491 -0.058 1.00 0.00 O ATOM 41 CB CYS A 3 6.429 6.046 0.514 1.00 0.00 C ATOM 42 SG CYS A 3 5.541 4.798 -0.445 1.00 0.00 S ATOM 0 H CYS A 3 8.958 5.877 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 3 7.909 5.746 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.836 6.335 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.570 6.943 -0.089 1.00 0.00 H new ATOM 47 N LYS A 4 7.192 3.228 1.591 1.00 0.00 N ATOM 48 CA LYS A 4 7.238 1.745 1.440 1.00 0.00 C ATOM 49 C LYS A 4 5.940 1.268 0.782 1.00 0.00 C ATOM 50 O LYS A 4 5.009 0.861 1.448 1.00 0.00 O ATOM 51 CB LYS A 4 7.388 1.096 2.817 1.00 0.00 C ATOM 52 CG LYS A 4 8.814 0.565 2.979 1.00 0.00 C ATOM 53 CD LYS A 4 8.879 -0.369 4.188 1.00 0.00 C ATOM 54 CE LYS A 4 10.258 -0.266 4.843 1.00 0.00 C ATOM 55 NZ LYS A 4 10.228 0.783 5.901 1.00 0.00 N ATOM 0 H LYS A 4 6.582 3.573 2.332 1.00 0.00 H new ATOM 0 HA LYS A 4 8.087 1.463 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.168 1.823 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.671 0.282 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.119 0.032 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.509 1.394 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.103 -0.104 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.689 -1.396 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.540 -1.226 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.011 -0.021 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.161 1.237 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.511 1.497 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.991 0.347 6.815 1.00 0.00 H new ATOM 69 N THR A 5 5.867 1.327 -0.522 1.00 0.00 N ATOM 70 CA THR A 5 4.624 0.890 -1.222 1.00 0.00 C ATOM 71 C THR A 5 4.967 -0.167 -2.283 1.00 0.00 C ATOM 72 O THR A 5 4.610 -0.049 -3.439 1.00 0.00 O ATOM 73 CB THR A 5 3.964 2.114 -1.877 1.00 0.00 C ATOM 74 OG1 THR A 5 2.600 1.844 -2.133 1.00 0.00 O ATOM 75 CG2 THR A 5 4.669 2.462 -3.183 1.00 0.00 C ATOM 0 H THR A 5 6.614 1.659 -1.132 1.00 0.00 H new ATOM 0 HA THR A 5 3.931 0.447 -0.507 1.00 0.00 H new ATOM 0 HB THR A 5 4.045 2.960 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.105 2.688 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.190 3.331 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.716 2.688 -2.982 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.606 1.616 -3.867 1.00 0.00 H new ATOM 83 N CYS A 6 5.651 -1.209 -1.896 1.00 0.00 N ATOM 84 CA CYS A 6 6.008 -2.270 -2.883 1.00 0.00 C ATOM 85 C CYS A 6 4.720 -2.840 -3.502 1.00 0.00 C ATOM 86 O CYS A 6 4.043 -2.167 -4.253 1.00 0.00 O ATOM 87 CB CYS A 6 6.802 -3.380 -2.184 1.00 0.00 C ATOM 88 SG CYS A 6 6.067 -3.742 -0.569 1.00 0.00 S ATOM 0 H CYS A 6 5.977 -1.372 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 6 6.626 -1.846 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.807 -4.279 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.840 -3.073 -2.060 1.00 0.00 H new ATOM 93 N SER A 7 4.367 -4.066 -3.200 1.00 0.00 N ATOM 94 CA SER A 7 3.120 -4.642 -3.783 1.00 0.00 C ATOM 95 C SER A 7 2.668 -5.833 -2.938 1.00 0.00 C ATOM 96 O SER A 7 1.491 -6.031 -2.709 1.00 0.00 O ATOM 97 CB SER A 7 3.387 -5.105 -5.216 1.00 0.00 C ATOM 98 OG SER A 7 2.170 -5.079 -5.950 1.00 0.00 O ATOM 0 H SER A 7 4.886 -4.687 -2.579 1.00 0.00 H new ATOM 0 HA SER A 7 2.339 -3.882 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.125 -4.457 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.803 -6.113 -5.214 1.00 0.00 H new ATOM 0 HG SER A 7 2.336 -5.373 -6.870 1.00 0.00 H new ATOM 104 N PHE A 8 3.591 -6.624 -2.467 1.00 0.00 N ATOM 105 CA PHE A 8 3.206 -7.795 -1.633 1.00 0.00 C ATOM 106 C PHE A 8 2.412 -7.305 -0.421 1.00 0.00 C ATOM 107 O PHE A 8 2.058 -6.145 -0.329 1.00 0.00 O ATOM 108 CB PHE A 8 4.468 -8.522 -1.161 1.00 0.00 C ATOM 109 CG PHE A 8 4.373 -9.983 -1.524 1.00 0.00 C ATOM 110 CD1 PHE A 8 4.068 -10.360 -2.837 1.00 0.00 C ATOM 111 CD2 PHE A 8 4.591 -10.962 -0.547 1.00 0.00 C ATOM 112 CE1 PHE A 8 3.982 -11.716 -3.174 1.00 0.00 C ATOM 113 CE2 PHE A 8 4.503 -12.319 -0.884 1.00 0.00 C ATOM 114 CZ PHE A 8 4.199 -12.695 -2.198 1.00 0.00 C ATOM 0 H PHE A 8 4.593 -6.510 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 8 2.594 -8.481 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.350 -8.078 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.583 -8.411 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.899 -9.605 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.827 -10.671 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.748 -12.007 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.670 -13.075 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.132 -13.741 -2.458 1.00 0.00 H new ATOM 124 N TYR A 9 2.129 -8.173 0.511 1.00 0.00 N ATOM 125 CA TYR A 9 1.360 -7.747 1.714 1.00 0.00 C ATOM 126 C TYR A 9 2.285 -6.970 2.653 1.00 0.00 C ATOM 127 O TYR A 9 1.856 -6.099 3.384 1.00 0.00 O ATOM 128 CB TYR A 9 0.812 -8.982 2.431 1.00 0.00 C ATOM 129 CG TYR A 9 0.326 -8.596 3.809 1.00 0.00 C ATOM 130 CD1 TYR A 9 -0.884 -7.908 3.957 1.00 0.00 C ATOM 131 CD2 TYR A 9 1.087 -8.927 4.938 1.00 0.00 C ATOM 132 CE1 TYR A 9 -1.334 -7.551 5.234 1.00 0.00 C ATOM 133 CE2 TYR A 9 0.637 -8.570 6.214 1.00 0.00 C ATOM 134 CZ TYR A 9 -0.574 -7.882 6.362 1.00 0.00 C ATOM 135 OH TYR A 9 -1.017 -7.529 7.621 1.00 0.00 O ATOM 0 H TYR A 9 2.396 -9.157 0.492 1.00 0.00 H new ATOM 0 HA TYR A 9 0.529 -7.109 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.005 -9.416 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.588 -9.744 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.470 -7.653 3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.021 -9.458 4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.268 -7.020 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.223 -8.825 7.084 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.372 -7.835 8.292 1.00 0.00 H new ATOM 145 N THR A 10 3.552 -7.277 2.636 1.00 0.00 N ATOM 146 CA THR A 10 4.505 -6.558 3.525 1.00 0.00 C ATOM 147 C THR A 10 5.903 -6.592 2.904 1.00 0.00 C ATOM 148 O THR A 10 6.236 -7.482 2.147 1.00 0.00 O ATOM 149 CB THR A 10 4.540 -7.243 4.891 1.00 0.00 C ATOM 150 OG1 THR A 10 5.711 -6.845 5.589 1.00 0.00 O ATOM 151 CG2 THR A 10 4.547 -8.759 4.699 1.00 0.00 C ATOM 0 H THR A 10 3.969 -7.996 2.044 1.00 0.00 H new ATOM 0 HA THR A 10 4.183 -5.523 3.644 1.00 0.00 H new ATOM 0 HB THR A 10 3.660 -6.955 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.734 -7.282 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.572 -9.249 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.647 -9.062 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.427 -9.049 4.124 1.00 0.00 H new ATOM 159 N CYS A 11 6.722 -5.627 3.216 1.00 0.00 N ATOM 160 CA CYS A 11 8.095 -5.603 2.642 1.00 0.00 C ATOM 161 C CYS A 11 9.085 -5.130 3.715 1.00 0.00 C ATOM 162 O CYS A 11 8.978 -4.022 4.201 1.00 0.00 O ATOM 163 CB CYS A 11 8.126 -4.639 1.454 1.00 0.00 C ATOM 164 SG CYS A 11 7.128 -5.320 0.108 1.00 0.00 S ATOM 0 H CYS A 11 6.500 -4.854 3.844 1.00 0.00 H new ATOM 0 HA CYS A 11 8.374 -6.602 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.740 -3.664 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.153 -4.487 1.120 1.00 0.00 H new ATOM 169 N PRO A 12 10.022 -5.982 4.055 1.00 0.00 N ATOM 170 CA PRO A 12 11.042 -5.670 5.070 1.00 0.00 C ATOM 171 C PRO A 12 12.102 -4.749 4.471 1.00 0.00 C ATOM 172 O PRO A 12 12.795 -4.037 5.171 1.00 0.00 O ATOM 173 CB PRO A 12 11.634 -7.037 5.421 1.00 0.00 C ATOM 174 CG PRO A 12 11.339 -7.961 4.217 1.00 0.00 C ATOM 175 CD PRO A 12 10.158 -7.327 3.460 1.00 0.00 C ATOM 0 HA PRO A 12 10.644 -5.155 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.707 -6.962 5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.186 -7.432 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.213 -8.047 3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.090 -8.968 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.356 -7.270 2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.246 -7.911 3.585 1.00 0.00 H new ATOM 183 N ASN A 13 12.228 -4.756 3.173 1.00 0.00 N ATOM 184 CA ASN A 13 13.237 -3.880 2.516 1.00 0.00 C ATOM 185 C ASN A 13 12.723 -2.438 2.514 1.00 0.00 C ATOM 186 O ASN A 13 12.085 -1.999 3.451 1.00 0.00 O ATOM 187 CB ASN A 13 13.460 -4.354 1.078 1.00 0.00 C ATOM 188 CG ASN A 13 13.478 -5.882 1.043 1.00 0.00 C ATOM 189 OD1 ASN A 13 13.731 -6.523 2.045 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.217 -6.500 -0.076 1.00 0.00 N ATOM 0 H ASN A 13 11.675 -5.332 2.538 1.00 0.00 H new ATOM 0 HA ASN A 13 14.181 -3.928 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.669 -3.974 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.401 -3.960 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.225 -7.519 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.005 -5.964 -0.917 1.00 0.00 H new ATOM 197 N SER A 14 12.990 -1.695 1.474 1.00 0.00 N ATOM 198 CA SER A 14 12.510 -0.286 1.430 1.00 0.00 C ATOM 199 C SER A 14 12.249 0.122 -0.021 1.00 0.00 C ATOM 200 O SER A 14 12.520 -0.623 -0.942 1.00 0.00 O ATOM 201 CB SER A 14 13.572 0.629 2.037 1.00 0.00 C ATOM 202 OG SER A 14 14.299 -0.089 3.026 1.00 0.00 O ATOM 0 H SER A 14 13.518 -2.002 0.657 1.00 0.00 H new ATOM 0 HA SER A 14 11.585 -0.198 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.248 0.987 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.102 1.507 2.480 1.00 0.00 H new ATOM 0 HG SER A 14 14.983 0.494 3.417 1.00 0.00 H new ATOM 208 N GLU A 15 11.724 1.299 -0.235 1.00 0.00 N ATOM 209 CA GLU A 15 11.449 1.746 -1.629 1.00 0.00 C ATOM 210 C GLU A 15 11.425 3.277 -1.688 1.00 0.00 C ATOM 211 O GLU A 15 10.413 3.905 -1.444 1.00 0.00 O ATOM 212 CB GLU A 15 10.094 1.201 -2.085 1.00 0.00 C ATOM 213 CG GLU A 15 10.047 1.171 -3.614 1.00 0.00 C ATOM 214 CD GLU A 15 8.832 1.961 -4.102 1.00 0.00 C ATOM 215 OE1 GLU A 15 7.754 1.390 -4.138 1.00 0.00 O ATOM 216 OE2 GLU A 15 8.999 3.124 -4.430 1.00 0.00 O ATOM 0 H GLU A 15 11.475 1.968 0.494 1.00 0.00 H new ATOM 0 HA GLU A 15 12.234 1.370 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.940 0.199 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.289 1.826 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.961 1.599 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.990 0.141 -3.967 1.00 0.00 H new ATOM 223 N THR A 16 12.532 3.882 -2.009 1.00 0.00 N ATOM 224 CA THR A 16 12.574 5.368 -2.083 1.00 0.00 C ATOM 225 C THR A 16 11.879 5.848 -3.363 1.00 0.00 C ATOM 226 O THR A 16 12.469 5.870 -4.425 1.00 0.00 O ATOM 227 CB THR A 16 14.033 5.835 -2.092 1.00 0.00 C ATOM 228 OG1 THR A 16 14.582 5.687 -0.790 1.00 0.00 O ATOM 229 CG2 THR A 16 14.103 7.307 -2.512 1.00 0.00 C ATOM 0 H THR A 16 13.411 3.412 -2.224 1.00 0.00 H new ATOM 0 HA THR A 16 12.059 5.784 -1.218 1.00 0.00 H new ATOM 0 HB THR A 16 14.601 5.232 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.516 5.983 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.142 7.635 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.682 7.421 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.535 7.914 -1.807 1.00 0.00 H new ATOM 237 N CYS A 17 10.636 6.246 -3.275 1.00 0.00 N ATOM 238 CA CYS A 17 9.932 6.738 -4.492 1.00 0.00 C ATOM 239 C CYS A 17 10.846 7.742 -5.202 1.00 0.00 C ATOM 240 O CYS A 17 11.778 8.248 -4.609 1.00 0.00 O ATOM 241 CB CYS A 17 8.609 7.404 -4.083 1.00 0.00 C ATOM 242 SG CYS A 17 7.619 6.235 -3.118 1.00 0.00 S ATOM 0 H CYS A 17 10.083 6.251 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 17 9.705 5.912 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.807 8.301 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.058 7.718 -4.970 1.00 0.00 H new ATOM 247 N PRO A 18 10.569 7.985 -6.454 1.00 0.00 N ATOM 248 CA PRO A 18 11.373 8.910 -7.271 1.00 0.00 C ATOM 249 C PRO A 18 11.126 10.367 -6.868 1.00 0.00 C ATOM 250 O PRO A 18 10.395 10.650 -5.939 1.00 0.00 O ATOM 251 CB PRO A 18 10.903 8.627 -8.701 1.00 0.00 C ATOM 252 CG PRO A 18 9.509 7.973 -8.584 1.00 0.00 C ATOM 253 CD PRO A 18 9.427 7.377 -7.169 1.00 0.00 C ATOM 0 HA PRO A 18 12.446 8.763 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.852 9.548 -9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.600 7.965 -9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.720 8.709 -8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.379 7.199 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.480 7.621 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.503 6.290 -7.190 1.00 0.00 H new ATOM 261 N ASP A 19 11.744 11.295 -7.551 1.00 0.00 N ATOM 262 CA ASP A 19 11.563 12.735 -7.198 1.00 0.00 C ATOM 263 C ASP A 19 10.303 13.292 -7.863 1.00 0.00 C ATOM 264 O ASP A 19 10.274 14.417 -8.320 1.00 0.00 O ATOM 265 CB ASP A 19 12.774 13.529 -7.678 1.00 0.00 C ATOM 266 CG ASP A 19 13.755 13.721 -6.519 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.614 14.700 -5.806 1.00 0.00 O ATOM 268 OD2 ASP A 19 14.631 12.886 -6.367 1.00 0.00 O ATOM 0 H ASP A 19 12.367 11.118 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 19 11.463 12.822 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.263 13.004 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.457 14.498 -8.063 1.00 0.00 H new ATOM 273 N GLY A 20 9.263 12.517 -7.903 1.00 0.00 N ATOM 274 CA GLY A 20 7.993 12.993 -8.519 1.00 0.00 C ATOM 275 C GLY A 20 6.850 12.720 -7.544 1.00 0.00 C ATOM 276 O GLY A 20 5.946 13.517 -7.386 1.00 0.00 O ATOM 0 H GLY A 20 9.234 11.567 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.056 14.058 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.815 12.481 -9.464 1.00 0.00 H new ATOM 280 N LYS A 21 6.894 11.598 -6.879 1.00 0.00 N ATOM 281 CA LYS A 21 5.829 11.263 -5.906 1.00 0.00 C ATOM 282 C LYS A 21 6.142 11.917 -4.573 1.00 0.00 C ATOM 283 O LYS A 21 7.016 12.753 -4.468 1.00 0.00 O ATOM 284 CB LYS A 21 5.767 9.748 -5.712 1.00 0.00 C ATOM 285 CG LYS A 21 4.313 9.276 -5.660 1.00 0.00 C ATOM 286 CD LYS A 21 3.550 9.801 -6.875 1.00 0.00 C ATOM 287 CE LYS A 21 3.317 8.661 -7.869 1.00 0.00 C ATOM 288 NZ LYS A 21 1.856 8.517 -8.128 1.00 0.00 N ATOM 0 H LYS A 21 7.629 10.897 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 21 4.872 11.624 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.289 9.249 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.279 9.472 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.276 8.187 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.840 9.628 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.596 10.224 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.114 10.603 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.844 8.864 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.720 7.730 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.706 8.207 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.456 7.811 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.385 9.432 -7.978 1.00 0.00 H new ATOM 302 N ASN A 22 5.432 11.547 -3.552 1.00 0.00 N ATOM 303 CA ASN A 22 5.694 12.170 -2.221 1.00 0.00 C ATOM 304 C ASN A 22 4.980 11.426 -1.086 1.00 0.00 C ATOM 305 O ASN A 22 4.898 11.932 0.016 1.00 0.00 O ATOM 306 CB ASN A 22 5.184 13.613 -2.243 1.00 0.00 C ATOM 307 CG ASN A 22 6.281 14.545 -2.764 1.00 0.00 C ATOM 308 OD1 ASN A 22 7.199 14.884 -2.044 1.00 0.00 O ATOM 309 ND2 ASN A 22 6.220 14.979 -3.995 1.00 0.00 N ATOM 0 H ASN A 22 4.689 10.849 -3.574 1.00 0.00 H new ATOM 0 HA ASN A 22 6.768 12.126 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.301 13.686 -2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.882 13.917 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.944 15.603 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.449 14.694 -4.599 1.00 0.00 H new ATOM 316 N ILE A 23 4.446 10.257 -1.310 1.00 0.00 N ATOM 317 CA ILE A 23 3.744 9.582 -0.182 1.00 0.00 C ATOM 318 C ILE A 23 3.574 8.085 -0.443 1.00 0.00 C ATOM 319 O ILE A 23 3.766 7.590 -1.531 1.00 0.00 O ATOM 320 CB ILE A 23 2.351 10.228 -0.022 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.409 11.324 1.042 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.300 9.184 0.397 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.986 11.645 1.500 1.00 0.00 C ATOM 0 H ILE A 23 4.463 9.752 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 23 4.340 9.700 0.723 1.00 0.00 H new ATOM 0 HB ILE A 23 2.064 10.651 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.013 10.996 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.885 12.217 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.329 9.667 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.237 8.405 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.589 8.739 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.016 12.426 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.399 11.989 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.528 10.749 1.919 1.00 0.00 H new ATOM 335 N CYS A 24 3.130 7.392 0.566 1.00 0.00 N ATOM 336 CA CYS A 24 2.832 5.952 0.440 1.00 0.00 C ATOM 337 C CYS A 24 1.322 5.789 0.493 1.00 0.00 C ATOM 338 O CYS A 24 0.647 6.544 1.164 1.00 0.00 O ATOM 339 CB CYS A 24 3.439 5.214 1.620 1.00 0.00 C ATOM 340 SG CYS A 24 4.476 3.880 0.994 1.00 0.00 S ATOM 0 H CYS A 24 2.959 7.780 1.494 1.00 0.00 H new ATOM 0 HA CYS A 24 3.238 5.556 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.030 5.897 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.653 4.813 2.260 1.00 0.00 H new ATOM 345 N VAL A 25 0.783 4.817 -0.192 1.00 0.00 N ATOM 346 CA VAL A 25 -0.689 4.618 -0.152 1.00 0.00 C ATOM 347 C VAL A 25 -1.008 3.163 -0.514 1.00 0.00 C ATOM 348 O VAL A 25 -0.863 2.746 -1.646 1.00 0.00 O ATOM 349 CB VAL A 25 -1.372 5.583 -1.129 1.00 0.00 C ATOM 350 CG1 VAL A 25 -1.032 7.022 -0.748 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.898 5.324 -2.553 1.00 0.00 C ATOM 0 H VAL A 25 1.298 4.156 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.064 4.825 0.850 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.449 5.426 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.518 7.707 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.383 7.223 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.048 7.165 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.393 6.018 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.181 5.468 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.143 4.301 -2.837 1.00 0.00 H new ATOM 361 N LYS A 26 -1.427 2.386 0.453 1.00 0.00 N ATOM 362 CA LYS A 26 -1.741 0.949 0.185 1.00 0.00 C ATOM 363 C LYS A 26 -3.248 0.716 0.307 1.00 0.00 C ATOM 364 O LYS A 26 -3.907 1.270 1.164 1.00 0.00 O ATOM 365 CB LYS A 26 -1.024 0.041 1.199 1.00 0.00 C ATOM 366 CG LYS A 26 -0.532 0.851 2.402 1.00 0.00 C ATOM 367 CD LYS A 26 0.548 0.065 3.156 1.00 0.00 C ATOM 368 CE LYS A 26 0.044 -1.344 3.487 1.00 0.00 C ATOM 369 NZ LYS A 26 -0.471 -1.377 4.885 1.00 0.00 N ATOM 0 H LYS A 26 -1.565 2.685 1.418 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.402 0.709 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.703 -0.743 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.180 -0.453 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.131 1.808 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.366 1.071 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.452 0.003 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.815 0.589 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.745 -1.631 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.852 -2.067 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.462 -2.356 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.133 -0.786 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.444 -1.012 4.905 1.00 0.00 H new ATOM 383 N ARG A 27 -3.789 -0.114 -0.538 1.00 0.00 N ATOM 384 CA ARG A 27 -5.251 -0.414 -0.480 1.00 0.00 C ATOM 385 C ARG A 27 -5.425 -1.891 -0.141 1.00 0.00 C ATOM 386 O ARG A 27 -4.653 -2.718 -0.564 1.00 0.00 O ATOM 387 CB ARG A 27 -5.904 -0.108 -1.835 1.00 0.00 C ATOM 388 CG ARG A 27 -5.211 1.089 -2.503 1.00 0.00 C ATOM 389 CD ARG A 27 -6.196 2.252 -2.636 1.00 0.00 C ATOM 390 NE ARG A 27 -5.443 3.507 -2.914 1.00 0.00 N ATOM 391 CZ ARG A 27 -5.632 4.148 -4.034 1.00 0.00 C ATOM 392 NH1 ARG A 27 -5.446 3.539 -5.173 1.00 0.00 N ATOM 393 NH2 ARG A 27 -6.007 5.397 -4.017 1.00 0.00 N ATOM 0 H ARG A 27 -3.279 -0.603 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.729 0.204 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.840 -0.982 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.963 0.108 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.348 1.397 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.838 0.802 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.904 2.054 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.777 2.358 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.779 3.865 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.153 2.562 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.594 4.040 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.153 5.874 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.154 5.897 -4.894 1.00 0.00 H new ATOM 407 N SER A 28 -6.426 -2.233 0.626 1.00 0.00 N ATOM 408 CA SER A 28 -6.618 -3.661 0.992 1.00 0.00 C ATOM 409 C SER A 28 -8.092 -4.010 0.859 1.00 0.00 C ATOM 410 O SER A 28 -8.948 -3.148 0.907 1.00 0.00 O ATOM 411 CB SER A 28 -6.172 -3.881 2.438 1.00 0.00 C ATOM 412 OG SER A 28 -5.401 -2.767 2.869 1.00 0.00 O ATOM 0 H SER A 28 -7.114 -1.587 1.012 1.00 0.00 H new ATOM 0 HA SER A 28 -6.026 -4.295 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.041 -4.007 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.584 -4.796 2.514 1.00 0.00 H new ATOM 0 HG SER A 28 -5.116 -2.906 3.796 1.00 0.00 H new ATOM 418 N TRP A 29 -8.406 -5.260 0.687 1.00 0.00 N ATOM 419 CA TRP A 29 -9.833 -5.627 0.548 1.00 0.00 C ATOM 420 C TRP A 29 -10.062 -7.079 0.898 1.00 0.00 C ATOM 421 O TRP A 29 -9.242 -7.936 0.656 1.00 0.00 O ATOM 422 CB TRP A 29 -10.287 -5.389 -0.875 1.00 0.00 C ATOM 423 CG TRP A 29 -9.389 -6.093 -1.846 1.00 0.00 C ATOM 424 CD1 TRP A 29 -9.662 -7.276 -2.445 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.090 -5.673 -2.351 1.00 0.00 C ATOM 426 NE1 TRP A 29 -8.616 -7.603 -3.289 1.00 0.00 N ATOM 427 CE2 TRP A 29 -7.623 -6.646 -3.265 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.281 -4.553 -2.106 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -6.398 -6.510 -3.918 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.044 -4.408 -2.761 1.00 0.00 C ATOM 431 CH2 TRP A 29 -5.604 -5.385 -3.665 1.00 0.00 C ATOM 0 H TRP A 29 -7.743 -6.034 0.637 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.406 -5.006 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.311 -5.742 -0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.291 -4.320 -1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.552 -7.868 -2.289 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.583 -8.448 -3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.610 -3.796 -1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.065 -7.266 -4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.431 -3.540 -2.566 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.654 -5.270 -4.166 1.00 0.00 H new ATOM 442 N THR A 30 -11.202 -7.356 1.440 1.00 0.00 N ATOM 443 CA THR A 30 -11.532 -8.752 1.795 1.00 0.00 C ATOM 444 C THR A 30 -11.961 -9.465 0.518 1.00 0.00 C ATOM 445 O THR A 30 -12.547 -8.867 -0.363 1.00 0.00 O ATOM 446 CB THR A 30 -12.678 -8.772 2.808 1.00 0.00 C ATOM 447 OG1 THR A 30 -13.353 -7.523 2.778 1.00 0.00 O ATOM 448 CG2 THR A 30 -12.118 -9.019 4.209 1.00 0.00 C ATOM 0 H THR A 30 -11.926 -6.671 1.655 1.00 0.00 H new ATOM 0 HA THR A 30 -10.669 -9.248 2.239 1.00 0.00 H new ATOM 0 HB THR A 30 -13.376 -9.569 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.089 -7.533 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.935 -9.033 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.599 -9.977 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.420 -8.223 4.467 1.00 0.00 H new ATOM 568 N ARG A 39 -7.736 -10.480 3.173 1.00 0.00 N ATOM 569 CA ARG A 39 -7.464 -9.062 2.828 1.00 0.00 C ATOM 570 C ARG A 39 -6.259 -8.964 1.894 1.00 0.00 C ATOM 571 O ARG A 39 -5.122 -8.951 2.322 1.00 0.00 O ATOM 572 CB ARG A 39 -7.187 -8.274 4.107 1.00 0.00 C ATOM 573 CG ARG A 39 -7.821 -6.886 3.995 1.00 0.00 C ATOM 574 CD ARG A 39 -9.044 -6.807 4.910 1.00 0.00 C ATOM 575 NE ARG A 39 -8.793 -5.811 5.989 1.00 0.00 N ATOM 576 CZ ARG A 39 -9.361 -4.638 5.939 1.00 0.00 C ATOM 577 NH1 ARG A 39 -9.144 -3.852 4.920 1.00 0.00 N ATOM 578 NH2 ARG A 39 -10.144 -4.250 6.908 1.00 0.00 N ATOM 0 HA ARG A 39 -8.335 -8.647 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.594 -8.803 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.112 -8.184 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.096 -6.120 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.113 -6.690 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.924 -6.521 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.251 -7.785 5.344 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.177 -6.046 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.531 -4.155 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.588 -2.934 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.312 -4.864 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.588 -3.333 6.869 1.00 0.00 H new ATOM 592 N GLU A 40 -6.511 -8.870 0.618 1.00 0.00 N ATOM 593 CA GLU A 40 -5.394 -8.741 -0.362 1.00 0.00 C ATOM 594 C GLU A 40 -5.164 -7.253 -0.621 1.00 0.00 C ATOM 595 O GLU A 40 -6.037 -6.565 -1.108 1.00 0.00 O ATOM 596 CB GLU A 40 -5.741 -9.437 -1.694 1.00 0.00 C ATOM 597 CG GLU A 40 -7.206 -9.891 -1.715 1.00 0.00 C ATOM 598 CD GLU A 40 -7.414 -11.012 -0.695 1.00 0.00 C ATOM 599 OE1 GLU A 40 -6.513 -11.244 0.093 1.00 0.00 O ATOM 600 OE2 GLU A 40 -8.471 -11.620 -0.720 1.00 0.00 O ATOM 0 H GLU A 40 -7.446 -8.877 0.209 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.501 -9.214 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.557 -8.754 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.088 -10.298 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.860 -9.050 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.474 -10.239 -2.712 1.00 0.00 H new ATOM 607 N ILE A 41 -4.014 -6.737 -0.287 1.00 0.00 N ATOM 608 CA ILE A 41 -3.780 -5.283 -0.512 1.00 0.00 C ATOM 609 C ILE A 41 -2.625 -5.069 -1.500 1.00 0.00 C ATOM 610 O ILE A 41 -1.726 -5.877 -1.624 1.00 0.00 O ATOM 611 CB ILE A 41 -3.493 -4.566 0.840 1.00 0.00 C ATOM 612 CG1 ILE A 41 -2.158 -3.800 0.802 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.445 -5.573 1.981 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.995 -4.794 0.725 1.00 0.00 C ATOM 0 H ILE A 41 -3.236 -7.251 0.126 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.681 -4.849 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.304 -3.857 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.135 -3.132 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.059 -3.178 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.243 -5.053 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.403 -6.089 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.655 -6.299 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.052 -4.249 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.014 -5.444 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.091 -5.397 -0.178 1.00 0.00 H new ATOM 626 N ARG A 42 -2.647 -3.953 -2.165 1.00 0.00 N ATOM 627 CA ARG A 42 -1.572 -3.594 -3.122 1.00 0.00 C ATOM 628 C ARG A 42 -1.003 -2.257 -2.644 1.00 0.00 C ATOM 629 O ARG A 42 -1.527 -1.664 -1.722 1.00 0.00 O ATOM 630 CB ARG A 42 -2.172 -3.451 -4.525 1.00 0.00 C ATOM 631 CG ARG A 42 -1.215 -2.677 -5.430 1.00 0.00 C ATOM 632 CD ARG A 42 -1.751 -2.676 -6.863 1.00 0.00 C ATOM 633 NE ARG A 42 -3.239 -2.640 -6.840 1.00 0.00 N ATOM 634 CZ ARG A 42 -3.922 -3.379 -7.669 1.00 0.00 C ATOM 635 NH1 ARG A 42 -3.389 -3.753 -8.801 1.00 0.00 N ATOM 636 NH2 ARG A 42 -5.136 -3.747 -7.366 1.00 0.00 N ATOM 0 H ARG A 42 -3.387 -3.256 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.792 -4.354 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.367 -4.437 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.130 -2.933 -4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.107 -1.654 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.225 -3.131 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.365 -1.813 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.407 -3.565 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.724 -2.037 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.439 -3.467 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.923 -4.331 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.551 -3.457 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.670 -4.325 -8.014 1.00 0.00 H new ATOM 650 N ARG A 43 0.055 -1.769 -3.220 1.00 0.00 N ATOM 651 CA ARG A 43 0.599 -0.473 -2.723 1.00 0.00 C ATOM 652 C ARG A 43 1.430 0.223 -3.794 1.00 0.00 C ATOM 653 O ARG A 43 2.299 -0.356 -4.413 1.00 0.00 O ATOM 654 CB ARG A 43 1.445 -0.729 -1.477 1.00 0.00 C ATOM 655 CG ARG A 43 2.434 -1.852 -1.745 1.00 0.00 C ATOM 656 CD ARG A 43 1.908 -3.136 -1.104 1.00 0.00 C ATOM 657 NE ARG A 43 2.153 -3.093 0.366 1.00 0.00 N ATOM 658 CZ ARG A 43 3.369 -3.198 0.829 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.121 -2.137 0.936 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.832 -4.365 1.187 1.00 0.00 N ATOM 0 H ARG A 43 0.560 -2.197 -3.996 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.233 0.185 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.979 0.179 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.801 -0.992 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.564 -1.992 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.412 -1.599 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.842 -3.244 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.403 -4.003 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 43 1.370 -2.981 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.759 -1.225 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.071 -2.220 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.244 -5.194 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.782 -4.448 1.549 1.00 0.00 H new ATOM 674 N GLU A 44 1.165 1.484 -3.985 1.00 0.00 N ATOM 675 CA GLU A 44 1.920 2.285 -4.979 1.00 0.00 C ATOM 676 C GLU A 44 2.319 3.598 -4.308 1.00 0.00 C ATOM 677 O GLU A 44 1.906 3.885 -3.199 1.00 0.00 O ATOM 678 CB GLU A 44 1.033 2.574 -6.193 1.00 0.00 C ATOM 679 CG GLU A 44 1.002 1.346 -7.105 1.00 0.00 C ATOM 680 CD GLU A 44 0.336 1.712 -8.434 1.00 0.00 C ATOM 681 OE1 GLU A 44 0.261 2.892 -8.732 1.00 0.00 O ATOM 682 OE2 GLU A 44 -0.086 0.804 -9.132 1.00 0.00 O ATOM 0 H GLU A 44 0.443 2.000 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 44 2.803 1.743 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.023 2.824 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.415 3.436 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.015 0.985 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.455 0.536 -6.623 1.00 0.00 H new ATOM 689 N CYS A 45 3.112 4.401 -4.952 1.00 0.00 N ATOM 690 CA CYS A 45 3.516 5.684 -4.319 1.00 0.00 C ATOM 691 C CYS A 45 2.651 6.813 -4.876 1.00 0.00 C ATOM 692 O CYS A 45 2.400 6.894 -6.062 1.00 0.00 O ATOM 693 CB CYS A 45 4.998 5.965 -4.622 1.00 0.00 C ATOM 694 SG CYS A 45 5.730 6.936 -3.280 1.00 0.00 S ATOM 0 H CYS A 45 3.496 4.228 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 45 3.379 5.620 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.538 5.026 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.089 6.505 -5.564 1.00 0.00 H new ATOM 699 N ALA A 46 2.193 7.685 -4.025 1.00 0.00 N ATOM 700 CA ALA A 46 1.349 8.814 -4.491 1.00 0.00 C ATOM 701 C ALA A 46 1.631 10.039 -3.627 1.00 0.00 C ATOM 702 O ALA A 46 2.582 10.073 -2.879 1.00 0.00 O ATOM 703 CB ALA A 46 -0.123 8.433 -4.355 1.00 0.00 C ATOM 0 H ALA A 46 2.369 7.663 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 46 1.576 9.037 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.746 9.260 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.328 7.550 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.348 8.216 -3.311 1.00 0.00 H new ATOM 709 N ALA A 47 0.808 11.040 -3.717 1.00 0.00 N ATOM 710 CA ALA A 47 1.024 12.260 -2.893 1.00 0.00 C ATOM 711 C ALA A 47 -0.280 12.605 -2.189 1.00 0.00 C ATOM 712 O ALA A 47 -0.654 13.756 -2.071 1.00 0.00 O ATOM 713 CB ALA A 47 1.428 13.415 -3.796 1.00 0.00 C ATOM 0 H ALA A 47 -0.009 11.068 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 47 1.812 12.082 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.587 14.310 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.350 13.162 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.638 13.602 -4.523 1.00 0.00 H new ATOM 719 N THR A 48 -0.985 11.611 -1.747 1.00 0.00 N ATOM 720 CA THR A 48 -2.287 11.864 -1.074 1.00 0.00 C ATOM 721 C THR A 48 -2.434 11.016 0.181 1.00 0.00 C ATOM 722 O THR A 48 -1.490 10.487 0.723 1.00 0.00 O ATOM 723 CB THR A 48 -3.422 11.467 -2.009 1.00 0.00 C ATOM 724 OG1 THR A 48 -2.907 11.250 -3.318 1.00 0.00 O ATOM 725 CG2 THR A 48 -4.477 12.575 -2.040 1.00 0.00 C ATOM 0 H THR A 48 -0.718 10.629 -1.821 1.00 0.00 H new ATOM 0 HA THR A 48 -2.323 12.922 -0.815 1.00 0.00 H new ATOM 0 HB THR A 48 -3.883 10.548 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.638 10.993 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.287 12.287 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.873 12.728 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.023 13.500 -2.396 1.00 0.00 H new ATOM 830 N LEU A 56 -11.935 0.391 -1.165 1.00 0.00 N ATOM 831 CA LEU A 56 -10.681 -0.104 -0.541 1.00 0.00 C ATOM 832 C LEU A 56 -10.291 0.756 0.651 1.00 0.00 C ATOM 833 O LEU A 56 -10.757 1.863 0.826 1.00 0.00 O ATOM 834 CB LEU A 56 -9.555 -0.045 -1.576 1.00 0.00 C ATOM 835 CG LEU A 56 -9.067 -1.457 -1.886 1.00 0.00 C ATOM 836 CD1 LEU A 56 -10.271 -2.361 -2.127 1.00 0.00 C ATOM 837 CD2 LEU A 56 -8.192 -1.431 -3.141 1.00 0.00 C ATOM 0 HA LEU A 56 -10.843 -1.127 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.911 0.436 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.731 0.560 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.484 -1.836 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.928 -3.372 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.898 -2.378 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.849 -1.980 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.843 -2.440 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.774 -1.055 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.334 -0.779 -2.973 1.00 0.00 H new ATOM 849 N THR A 57 -9.409 0.244 1.455 1.00 0.00 N ATOM 850 CA THR A 57 -8.937 1.013 2.637 1.00 0.00 C ATOM 851 C THR A 57 -7.524 1.517 2.341 1.00 0.00 C ATOM 852 O THR A 57 -6.623 0.738 2.092 1.00 0.00 O ATOM 853 CB THR A 57 -8.919 0.102 3.870 1.00 0.00 C ATOM 854 OG1 THR A 57 -10.246 -0.065 4.351 1.00 0.00 O ATOM 855 CG2 THR A 57 -8.055 0.729 4.966 1.00 0.00 C ATOM 0 H THR A 57 -8.991 -0.680 1.345 1.00 0.00 H new ATOM 0 HA THR A 57 -9.602 1.854 2.835 1.00 0.00 H new ATOM 0 HB THR A 57 -8.503 -0.867 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.238 -0.648 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.046 0.077 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.037 0.857 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.466 1.700 5.242 1.00 0.00 H new ATOM 863 N VAL A 58 -7.321 2.810 2.351 1.00 0.00 N ATOM 864 CA VAL A 58 -5.966 3.343 2.058 1.00 0.00 C ATOM 865 C VAL A 58 -5.189 3.535 3.352 1.00 0.00 C ATOM 866 O VAL A 58 -5.746 3.700 4.419 1.00 0.00 O ATOM 867 CB VAL A 58 -6.042 4.706 1.359 1.00 0.00 C ATOM 868 CG1 VAL A 58 -4.903 4.826 0.350 1.00 0.00 C ATOM 869 CG2 VAL A 58 -7.381 4.862 0.633 1.00 0.00 C ATOM 0 H VAL A 58 -8.034 3.512 2.549 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.470 2.622 1.408 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.955 5.490 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.957 5.795 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.948 4.736 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.989 4.032 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.418 5.835 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.484 4.075 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.196 4.788 1.353 1.00 0.00 H new ATOM 879 N PHE A 59 -3.899 3.555 3.241 1.00 0.00 N ATOM 880 CA PHE A 59 -3.038 3.780 4.422 1.00 0.00 C ATOM 881 C PHE A 59 -1.765 4.447 3.917 1.00 0.00 C ATOM 882 O PHE A 59 -0.926 3.818 3.303 1.00 0.00 O ATOM 883 CB PHE A 59 -2.705 2.452 5.103 1.00 0.00 C ATOM 884 CG PHE A 59 -1.493 2.645 5.977 1.00 0.00 C ATOM 885 CD1 PHE A 59 -1.329 3.844 6.680 1.00 0.00 C ATOM 886 CD2 PHE A 59 -0.533 1.638 6.073 1.00 0.00 C ATOM 887 CE1 PHE A 59 -0.200 4.033 7.484 1.00 0.00 C ATOM 888 CE2 PHE A 59 0.600 1.825 6.875 1.00 0.00 C ATOM 889 CZ PHE A 59 0.766 3.023 7.582 1.00 0.00 C ATOM 0 H PHE A 59 -3.395 3.422 2.364 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.544 4.406 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.551 2.112 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.513 1.682 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.073 4.623 6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.663 0.714 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.073 4.957 8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.345 1.046 6.948 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.638 3.168 8.202 1.00 0.00 H new ATOM 899 N CYS A 60 -1.630 5.720 4.130 1.00 0.00 N ATOM 900 CA CYS A 60 -0.429 6.419 3.612 1.00 0.00 C ATOM 901 C CYS A 60 0.544 6.747 4.734 1.00 0.00 C ATOM 902 O CYS A 60 0.280 6.533 5.900 1.00 0.00 O ATOM 903 CB CYS A 60 -0.860 7.726 2.958 1.00 0.00 C ATOM 904 SG CYS A 60 -1.763 8.705 4.185 1.00 0.00 S ATOM 0 H CYS A 60 -2.294 6.305 4.637 1.00 0.00 H new ATOM 0 HA CYS A 60 0.065 5.763 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.010 8.276 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.491 7.527 2.092 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.140 9.829 3.651 1.00 0.00 H new ATOM 909 N CYS A 61 1.666 7.293 4.366 1.00 0.00 N ATOM 910 CA CYS A 61 2.686 7.680 5.382 1.00 0.00 C ATOM 911 C CYS A 61 3.610 8.737 4.778 1.00 0.00 C ATOM 912 O CYS A 61 3.746 8.843 3.575 1.00 0.00 O ATOM 913 CB CYS A 61 3.503 6.457 5.806 1.00 0.00 C ATOM 914 SG CYS A 61 4.512 6.885 7.248 1.00 0.00 S ATOM 0 H CYS A 61 1.924 7.490 3.399 1.00 0.00 H new ATOM 0 HA CYS A 61 2.186 8.084 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.839 5.626 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.141 6.129 4.985 1.00 0.00 H new ATOM 919 N THR A 62 4.239 9.527 5.602 1.00 0.00 N ATOM 920 CA THR A 62 5.146 10.583 5.072 1.00 0.00 C ATOM 921 C THR A 62 6.505 10.489 5.767 1.00 0.00 C ATOM 922 O THR A 62 6.873 11.340 6.551 1.00 0.00 O ATOM 923 CB THR A 62 4.533 11.959 5.341 1.00 0.00 C ATOM 924 OG1 THR A 62 4.462 12.178 6.743 1.00 0.00 O ATOM 925 CG2 THR A 62 3.128 12.022 4.740 1.00 0.00 C ATOM 0 H THR A 62 4.165 9.488 6.619 1.00 0.00 H new ATOM 0 HA THR A 62 5.278 10.443 3.999 1.00 0.00 H new ATOM 0 HB THR A 62 5.154 12.729 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.368 12.211 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.693 13.003 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.185 11.855 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.503 11.253 5.194 1.00 0.00 H new ATOM 933 N THR A 63 7.255 9.460 5.483 1.00 0.00 N ATOM 934 CA THR A 63 8.591 9.313 6.125 1.00 0.00 C ATOM 935 C THR A 63 9.444 8.357 5.292 1.00 0.00 C ATOM 936 O THR A 63 8.930 7.501 4.599 1.00 0.00 O ATOM 937 CB THR A 63 8.421 8.747 7.537 1.00 0.00 C ATOM 938 OG1 THR A 63 7.048 8.792 7.903 1.00 0.00 O ATOM 939 CG2 THR A 63 9.241 9.580 8.524 1.00 0.00 C ATOM 0 H THR A 63 7.000 8.715 4.834 1.00 0.00 H new ATOM 0 HA THR A 63 9.079 10.286 6.183 1.00 0.00 H new ATOM 0 HB THR A 63 8.769 7.714 7.559 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.582 8.020 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.120 9.177 9.529 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.294 9.544 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.895 10.613 8.503 1.00 0.00 H new ATOM 947 N ASP A 64 10.743 8.493 5.351 1.00 0.00 N ATOM 948 CA ASP A 64 11.619 7.584 4.559 1.00 0.00 C ATOM 949 C ASP A 64 11.099 6.152 4.693 1.00 0.00 C ATOM 950 O ASP A 64 10.953 5.645 5.785 1.00 0.00 O ATOM 951 CB ASP A 64 13.054 7.661 5.086 1.00 0.00 C ATOM 952 CG ASP A 64 13.033 7.726 6.614 1.00 0.00 C ATOM 953 OD1 ASP A 64 12.853 8.812 7.140 1.00 0.00 O ATOM 954 OD2 ASP A 64 13.197 6.687 7.233 1.00 0.00 O ATOM 0 H ASP A 64 11.232 9.191 5.911 1.00 0.00 H new ATOM 0 HA ASP A 64 11.608 7.884 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.621 6.791 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.555 8.540 4.681 1.00 0.00 H new ATOM 959 N ASN A 65 10.820 5.504 3.589 1.00 0.00 N ATOM 960 CA ASN A 65 10.300 4.103 3.631 1.00 0.00 C ATOM 961 C ASN A 65 9.375 3.920 4.844 1.00 0.00 C ATOM 962 O ASN A 65 9.823 3.635 5.936 1.00 0.00 O ATOM 963 CB ASN A 65 11.474 3.128 3.731 1.00 0.00 C ATOM 964 CG ASN A 65 12.687 3.712 3.003 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.570 4.198 1.896 1.00 0.00 O ATOM 966 ND2 ASN A 65 13.857 3.682 3.583 1.00 0.00 N ATOM 0 H ASN A 65 10.932 5.890 2.652 1.00 0.00 H new ATOM 0 HA ASN A 65 9.735 3.904 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.719 2.943 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.201 2.168 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.673 4.067 3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.955 3.274 4.513 1.00 0.00 H new ATOM 973 N CYS A 66 8.090 4.083 4.665 1.00 0.00 N ATOM 974 CA CYS A 66 7.158 3.921 5.821 1.00 0.00 C ATOM 975 C CYS A 66 5.801 3.403 5.334 1.00 0.00 C ATOM 976 O CYS A 66 4.926 4.171 4.986 1.00 0.00 O ATOM 977 CB CYS A 66 6.972 5.280 6.509 1.00 0.00 C ATOM 978 SG CYS A 66 5.565 5.208 7.650 1.00 0.00 S ATOM 0 H CYS A 66 7.648 4.319 3.777 1.00 0.00 H new ATOM 0 HA CYS A 66 7.577 3.203 6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.878 5.549 7.052 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.806 6.056 5.762 1.00 0.00 H new ATOM 983 N ASN A 67 5.616 2.110 5.324 1.00 0.00 N ATOM 984 CA ASN A 67 4.308 1.543 4.876 1.00 0.00 C ATOM 985 C ASN A 67 4.474 0.058 4.539 1.00 0.00 C ATOM 986 O ASN A 67 3.866 -0.448 3.617 1.00 0.00 O ATOM 987 CB ASN A 67 3.823 2.291 3.634 1.00 0.00 C ATOM 988 CG ASN A 67 2.548 3.068 3.969 1.00 0.00 C ATOM 989 OD1 ASN A 67 1.664 3.193 3.143 1.00 0.00 O ATOM 990 ND2 ASN A 67 2.412 3.598 5.154 1.00 0.00 N ATOM 0 H ASN A 67 6.313 1.421 5.606 1.00 0.00 H new ATOM 0 HA ASN A 67 3.578 1.653 5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.596 2.975 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.630 1.587 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.565 4.116 5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.153 3.494 5.847 1.00 0.00 H new ATOM 997 N HIS A 68 5.290 -0.645 5.277 1.00 0.00 N ATOM 998 CA HIS A 68 5.486 -2.091 4.991 1.00 0.00 C ATOM 999 C HIS A 68 4.276 -2.879 5.494 1.00 0.00 C ATOM 1000 O HIS A 68 3.895 -3.829 4.830 1.00 0.00 O ATOM 1001 CB HIS A 68 6.750 -2.590 5.695 1.00 0.00 C ATOM 1002 CG HIS A 68 6.649 -2.311 7.170 1.00 0.00 C ATOM 1003 ND1 HIS A 68 6.287 -3.287 8.084 1.00 0.00 N ATOM 1004 CD2 HIS A 68 6.862 -1.171 7.903 1.00 0.00 C ATOM 1005 CE1 HIS A 68 6.294 -2.722 9.304 1.00 0.00 C ATOM 1006 NE2 HIS A 68 6.637 -1.433 9.251 1.00 0.00 N ATOM 1007 OXT HIS A 68 3.749 -2.519 6.533 1.00 0.00 O ATOM 0 H HIS A 68 5.827 -0.280 6.063 1.00 0.00 H new ATOM 0 HA HIS A 68 5.593 -2.235 3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.875 -3.659 5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.629 -2.096 5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.159 -0.216 7.496 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.052 -3.247 10.216 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.717 -0.780 10.031 1.00 0.00 H new