USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ -165:sc= -0.0593 (180deg=-0.123) USER MOD Set 1.2: A 34 THR OG1 : rot 140:sc= -1.24 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00208 X(o=-0.0021,f=0.02) USER MOD Single : A 15 SER OG : rot 180:sc= -0.961 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= -1.27 (180deg=-2.14!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 35 ASN : amide:sc=-0.00287 X(o=-0.0029,f=0.22) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.886 K(o=-0.89,f=-5.3!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -123:sc= -0.24 (180deg=-1.46!) USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.0395 (180deg=-1.69!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 52 GLN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -3.16! C(o=-3.2!,f=-5.9!) USER MOD Single : A 61 GLN : amide:sc= -2.33 K(o=-2.3,f=-6.8!) USER MOD Single : A 67 SER OG : rot -13:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.315 -12.907 1.092 1.00 0.00 N ATOM 20 CA ALA A 3 -1.671 -13.493 -0.189 1.00 0.00 C ATOM 21 C ALA A 3 -0.463 -13.429 -1.127 1.00 0.00 C ATOM 22 O ALA A 3 -0.299 -14.289 -1.992 1.00 0.00 O ATOM 23 CB ALA A 3 -2.891 -12.769 -0.760 1.00 0.00 C ATOM 0 HA ALA A 3 -1.941 -14.542 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.158 -13.209 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.729 -12.868 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.657 -11.713 -0.896 1.00 0.00 H new ATOM 29 N GLY A 4 0.349 -12.403 -0.925 1.00 0.00 N ATOM 30 CA GLY A 4 1.536 -12.216 -1.741 1.00 0.00 C ATOM 31 C GLY A 4 2.137 -10.825 -1.526 1.00 0.00 C ATOM 32 O GLY A 4 1.842 -10.166 -0.530 1.00 0.00 O ATOM 0 H GLY A 4 0.208 -11.692 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.275 -12.978 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.283 -12.348 -2.793 1.00 0.00 H new ATOM 36 N LYS A 5 2.967 -10.420 -2.476 1.00 0.00 N ATOM 37 CA LYS A 5 3.612 -9.120 -2.402 1.00 0.00 C ATOM 38 C LYS A 5 2.835 -8.122 -3.263 1.00 0.00 C ATOM 39 O LYS A 5 2.247 -8.496 -4.277 1.00 0.00 O ATOM 40 CB LYS A 5 5.091 -9.233 -2.774 1.00 0.00 C ATOM 41 CG LYS A 5 5.944 -9.548 -1.544 1.00 0.00 C ATOM 42 CD LYS A 5 7.287 -8.819 -1.606 1.00 0.00 C ATOM 43 CE LYS A 5 8.439 -9.757 -1.243 1.00 0.00 C ATOM 44 NZ LYS A 5 9.024 -9.378 0.063 1.00 0.00 N ATOM 0 H LYS A 5 3.208 -10.969 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 5 3.594 -8.743 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.223 -10.015 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.428 -8.300 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.408 -9.255 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.112 -10.623 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.441 -8.419 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.276 -7.970 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.080 -10.785 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.206 -9.717 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.946 -9.845 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.151 -8.346 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.386 -9.676 0.829 1.00 0.00 H new ATOM 58 N PHE A 6 2.857 -6.871 -2.828 1.00 0.00 N ATOM 59 CA PHE A 6 2.162 -5.816 -3.546 1.00 0.00 C ATOM 60 C PHE A 6 3.015 -4.548 -3.617 1.00 0.00 C ATOM 61 O PHE A 6 3.961 -4.386 -2.847 1.00 0.00 O ATOM 62 CB PHE A 6 0.882 -5.512 -2.766 1.00 0.00 C ATOM 63 CG PHE A 6 -0.156 -6.636 -2.811 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.105 -7.827 -2.209 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.338 -6.443 -3.454 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.858 -8.869 -2.251 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.302 -7.486 -3.496 1.00 0.00 C ATOM 68 CZ PHE A 6 -2.041 -8.677 -2.894 1.00 0.00 C ATOM 0 H PHE A 6 3.345 -6.564 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 6 1.950 -6.137 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.141 -5.312 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.434 -4.601 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.045 -7.980 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.544 -5.497 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.651 -9.815 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.242 -7.333 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.773 -9.470 -2.926 1.00 0.00 H new ATOM 78 N ILE A 7 2.650 -3.679 -4.548 1.00 0.00 N ATOM 79 CA ILE A 7 3.370 -2.430 -4.731 1.00 0.00 C ATOM 80 C ILE A 7 2.370 -1.305 -5.009 1.00 0.00 C ATOM 81 O ILE A 7 1.899 -1.154 -6.136 1.00 0.00 O ATOM 82 CB ILE A 7 4.442 -2.581 -5.811 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.600 -4.045 -6.225 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.768 -1.967 -5.358 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.800 -4.225 -7.156 1.00 0.00 C ATOM 0 H ILE A 7 1.864 -3.815 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 7 3.905 -2.163 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 7 4.118 -2.030 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.727 -4.666 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.693 -4.385 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.513 -2.088 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.626 -0.906 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.111 -2.469 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.890 -5.275 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.658 -3.622 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.708 -3.907 -6.644 1.00 0.00 H new ATOM 97 N VAL A 8 2.076 -0.546 -3.964 1.00 0.00 N ATOM 98 CA VAL A 8 1.140 0.559 -4.082 1.00 0.00 C ATOM 99 C VAL A 8 1.918 1.873 -4.166 1.00 0.00 C ATOM 100 O VAL A 8 3.108 1.915 -3.856 1.00 0.00 O ATOM 101 CB VAL A 8 0.143 0.528 -2.922 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.099 -0.907 -2.446 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.615 1.416 -1.770 1.00 0.00 C ATOM 0 H VAL A 8 2.469 -0.674 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 8 0.555 0.468 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.805 0.925 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.811 -0.901 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.500 -1.500 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.842 -1.342 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.112 1.376 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.581 1.062 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.713 2.444 -2.119 1.00 0.00 H new ATOM 113 N ILE A 9 1.215 2.915 -4.588 1.00 0.00 N ATOM 114 CA ILE A 9 1.826 4.227 -4.717 1.00 0.00 C ATOM 115 C ILE A 9 0.857 5.289 -4.193 1.00 0.00 C ATOM 116 O ILE A 9 -0.314 4.999 -3.949 1.00 0.00 O ATOM 117 CB ILE A 9 2.282 4.466 -6.157 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.806 4.399 -6.268 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.727 5.787 -6.696 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.256 3.042 -6.816 1.00 0.00 C ATOM 0 H ILE A 9 0.229 2.877 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 9 2.728 4.290 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 9 1.878 3.668 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.162 5.195 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.253 4.566 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.066 5.933 -7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.638 5.760 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.082 6.611 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.344 3.020 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.919 2.250 -6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.826 2.889 -7.806 1.00 0.00 H new ATOM 132 N PHE A 10 1.380 6.496 -4.038 1.00 0.00 N ATOM 133 CA PHE A 10 0.576 7.603 -3.547 1.00 0.00 C ATOM 134 C PHE A 10 0.799 8.859 -4.393 1.00 0.00 C ATOM 135 O PHE A 10 1.912 9.116 -4.847 1.00 0.00 O ATOM 136 CB PHE A 10 1.025 7.882 -2.112 1.00 0.00 C ATOM 137 CG PHE A 10 1.167 6.626 -1.249 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.206 5.664 -1.286 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.252 6.472 -0.445 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.337 4.498 -0.485 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.384 5.307 0.357 1.00 0.00 C ATOM 142 CZ PHE A 10 1.423 4.345 0.319 1.00 0.00 C ATOM 0 H PHE A 10 2.351 6.732 -4.244 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.482 7.346 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.982 8.404 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.307 8.554 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.657 5.787 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.015 7.236 -0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.425 3.734 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.246 5.185 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.523 3.459 0.928 1.00 0.00 H new ATOM 152 N LYS A 11 -0.279 9.607 -4.578 1.00 0.00 N ATOM 153 CA LYS A 11 -0.215 10.831 -5.360 1.00 0.00 C ATOM 154 C LYS A 11 0.873 11.741 -4.787 1.00 0.00 C ATOM 155 O LYS A 11 1.517 11.397 -3.797 1.00 0.00 O ATOM 156 CB LYS A 11 -1.594 11.490 -5.437 1.00 0.00 C ATOM 157 CG LYS A 11 -2.126 11.811 -4.039 1.00 0.00 C ATOM 158 CD LYS A 11 -3.605 12.200 -4.091 1.00 0.00 C ATOM 159 CE LYS A 11 -3.810 13.460 -4.935 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.231 13.595 -5.327 1.00 0.00 N ATOM 0 H LYS A 11 -1.201 9.390 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 11 0.065 10.612 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.531 12.405 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.290 10.827 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.997 10.945 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.547 12.626 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.186 11.379 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.976 12.370 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.497 14.338 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.184 13.414 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.353 14.455 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.518 12.765 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.822 13.660 -4.474 1.00 0.00 H new ATOM 174 N ASN A 12 1.042 12.886 -5.433 1.00 0.00 N ATOM 175 CA ASN A 12 2.040 13.848 -4.998 1.00 0.00 C ATOM 176 C ASN A 12 1.387 14.864 -4.059 1.00 0.00 C ATOM 177 O ASN A 12 1.735 16.044 -4.076 1.00 0.00 O ATOM 178 CB ASN A 12 2.622 14.613 -6.189 1.00 0.00 C ATOM 179 CG ASN A 12 4.135 14.786 -6.043 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.626 15.463 -5.154 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.845 14.138 -6.962 1.00 0.00 N ATOM 0 H ASN A 12 0.505 13.168 -6.253 1.00 0.00 H new ATOM 0 HA ASN A 12 2.838 13.302 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.401 14.078 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.146 15.591 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.864 14.190 -6.950 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.371 13.589 -7.679 1.00 0.00 H new ATOM 188 N ASP A 13 0.453 14.369 -3.260 1.00 0.00 N ATOM 189 CA ASP A 13 -0.250 15.218 -2.314 1.00 0.00 C ATOM 190 C ASP A 13 -0.116 14.630 -0.908 1.00 0.00 C ATOM 191 O ASP A 13 0.135 15.358 0.051 1.00 0.00 O ATOM 192 CB ASP A 13 -1.741 15.300 -2.652 1.00 0.00 C ATOM 193 CG ASP A 13 -2.450 16.559 -2.146 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.300 16.848 -0.939 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.126 17.202 -2.977 1.00 0.00 O ATOM 0 H ASP A 13 0.167 13.390 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 13 0.188 16.215 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.856 15.246 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.242 14.426 -2.234 1.00 0.00 H new ATOM 200 N VAL A 14 -0.286 13.318 -0.832 1.00 0.00 N ATOM 201 CA VAL A 14 -0.187 12.625 0.441 1.00 0.00 C ATOM 202 C VAL A 14 0.946 13.240 1.266 1.00 0.00 C ATOM 203 O VAL A 14 1.933 13.719 0.709 1.00 0.00 O ATOM 204 CB VAL A 14 -0.009 11.123 0.207 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.797 10.860 -1.068 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.644 10.452 1.416 1.00 0.00 C ATOM 0 H VAL A 14 -0.491 12.717 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.107 12.745 1.013 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.998 10.685 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.910 9.785 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.274 11.288 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.781 11.319 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.758 9.385 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.624 10.896 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.016 10.596 2.295 1.00 0.00 H new ATOM 216 N SER A 15 0.767 13.206 2.577 1.00 0.00 N ATOM 217 CA SER A 15 1.762 13.754 3.483 1.00 0.00 C ATOM 218 C SER A 15 2.758 12.664 3.888 1.00 0.00 C ATOM 219 O SER A 15 2.633 11.516 3.464 1.00 0.00 O ATOM 220 CB SER A 15 1.103 14.359 4.724 1.00 0.00 C ATOM 221 OG SER A 15 0.606 13.356 5.607 1.00 0.00 O ATOM 0 H SER A 15 -0.053 12.807 3.035 1.00 0.00 H new ATOM 0 HA SER A 15 2.296 14.550 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.826 14.981 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.285 15.011 4.419 1.00 0.00 H new ATOM 0 HG SER A 15 0.194 13.782 6.388 1.00 0.00 H new ATOM 227 N GLU A 16 3.723 13.063 4.703 1.00 0.00 N ATOM 228 CA GLU A 16 4.739 12.135 5.170 1.00 0.00 C ATOM 229 C GLU A 16 4.175 11.245 6.280 1.00 0.00 C ATOM 230 O GLU A 16 4.390 10.034 6.278 1.00 0.00 O ATOM 231 CB GLU A 16 5.987 12.881 5.646 1.00 0.00 C ATOM 232 CG GLU A 16 7.260 12.137 5.239 1.00 0.00 C ATOM 233 CD GLU A 16 8.243 13.075 4.537 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.376 14.221 5.018 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.841 12.625 3.537 1.00 0.00 O ATOM 0 H GLU A 16 3.823 14.016 5.052 1.00 0.00 H new ATOM 0 HA GLU A 16 5.033 11.499 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.998 13.886 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.957 12.992 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.731 11.706 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.006 11.309 4.577 1.00 0.00 H new ATOM 242 N ASP A 17 3.466 11.880 7.201 1.00 0.00 N ATOM 243 CA ASP A 17 2.870 11.162 8.315 1.00 0.00 C ATOM 244 C ASP A 17 1.855 10.151 7.778 1.00 0.00 C ATOM 245 O ASP A 17 1.740 9.043 8.301 1.00 0.00 O ATOM 246 CB ASP A 17 2.135 12.117 9.256 1.00 0.00 C ATOM 247 CG ASP A 17 2.917 13.375 9.642 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.055 13.207 10.132 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.360 14.474 9.438 1.00 0.00 O ATOM 0 H ASP A 17 3.291 12.885 7.199 1.00 0.00 H new ATOM 0 HA ASP A 17 3.670 10.663 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.200 12.419 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.873 11.577 10.166 1.00 0.00 H new ATOM 254 N LYS A 18 1.142 10.569 6.743 1.00 0.00 N ATOM 255 CA LYS A 18 0.139 9.714 6.129 1.00 0.00 C ATOM 256 C LYS A 18 0.817 8.461 5.570 1.00 0.00 C ATOM 257 O LYS A 18 0.334 7.347 5.773 1.00 0.00 O ATOM 258 CB LYS A 18 -0.666 10.494 5.089 1.00 0.00 C ATOM 259 CG LYS A 18 -2.094 10.748 5.579 1.00 0.00 C ATOM 260 CD LYS A 18 -2.198 12.101 6.285 1.00 0.00 C ATOM 261 CE LYS A 18 -3.496 12.203 7.087 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.512 12.970 6.333 1.00 0.00 N ATOM 0 H LYS A 18 1.239 11.489 6.313 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.585 9.380 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.174 11.444 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.693 9.937 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.783 10.720 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.395 9.953 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.344 12.235 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.158 12.903 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.874 11.205 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.302 12.688 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.387 13.030 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.155 13.929 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.709 12.492 5.431 1.00 0.00 H new ATOM 276 N ILE A 19 1.924 8.685 4.878 1.00 0.00 N ATOM 277 CA ILE A 19 2.672 7.588 4.288 1.00 0.00 C ATOM 278 C ILE A 19 3.002 6.559 5.372 1.00 0.00 C ATOM 279 O ILE A 19 2.614 5.397 5.269 1.00 0.00 O ATOM 280 CB ILE A 19 3.902 8.116 3.546 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.799 7.837 2.045 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.190 7.549 4.147 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.550 8.898 1.237 1.00 0.00 C ATOM 0 H ILE A 19 2.321 9.610 4.713 1.00 0.00 H new ATOM 0 HA ILE A 19 2.070 7.077 3.537 1.00 0.00 H new ATOM 0 HB ILE A 19 3.937 9.198 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.208 6.851 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.751 7.821 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.049 7.940 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.262 7.841 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.178 6.462 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.461 8.676 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.122 9.880 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.602 8.895 1.521 1.00 0.00 H new ATOM 295 N ARG A 20 3.715 7.026 6.387 1.00 0.00 N ATOM 296 CA ARG A 20 4.101 6.162 7.490 1.00 0.00 C ATOM 297 C ARG A 20 2.863 5.530 8.129 1.00 0.00 C ATOM 298 O ARG A 20 2.922 4.408 8.629 1.00 0.00 O ATOM 299 CB ARG A 20 4.876 6.941 8.555 1.00 0.00 C ATOM 300 CG ARG A 20 6.110 7.615 7.953 1.00 0.00 C ATOM 301 CD ARG A 20 7.247 7.687 8.973 1.00 0.00 C ATOM 302 NE ARG A 20 7.566 9.100 9.277 1.00 0.00 N ATOM 303 CZ ARG A 20 6.804 9.894 10.041 1.00 0.00 C ATOM 304 NH1 ARG A 20 5.675 9.419 10.583 1.00 0.00 N ATOM 305 NH2 ARG A 20 7.171 11.163 10.263 1.00 0.00 N ATOM 0 H ARG A 20 4.035 7.991 6.469 1.00 0.00 H new ATOM 0 HA ARG A 20 4.745 5.380 7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.228 7.694 9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.180 6.266 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.439 7.061 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.853 8.620 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.961 7.166 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.130 7.182 8.581 1.00 0.00 H new ATOM 0 HE ARG A 20 8.419 9.494 8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.395 8.453 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.095 10.024 11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.031 11.525 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.591 11.767 10.845 1.00 0.00 H new ATOM 319 N GLU A 21 1.770 6.278 8.091 1.00 0.00 N ATOM 320 CA GLU A 21 0.519 5.806 8.660 1.00 0.00 C ATOM 321 C GLU A 21 0.002 4.599 7.875 1.00 0.00 C ATOM 322 O GLU A 21 -0.067 3.491 8.405 1.00 0.00 O ATOM 323 CB GLU A 21 -0.524 6.924 8.696 1.00 0.00 C ATOM 324 CG GLU A 21 -0.290 7.852 9.890 1.00 0.00 C ATOM 325 CD GLU A 21 -1.523 7.904 10.794 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.749 6.900 11.503 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.212 8.946 10.756 1.00 0.00 O ATOM 0 H GLU A 21 1.725 7.208 7.675 1.00 0.00 H new ATOM 0 HA GLU A 21 0.705 5.495 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.480 7.498 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.523 6.493 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.570 7.505 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.053 8.855 9.535 1.00 0.00 H new ATOM 334 N THR A 22 -0.349 4.854 6.623 1.00 0.00 N ATOM 335 CA THR A 22 -0.859 3.802 5.759 1.00 0.00 C ATOM 336 C THR A 22 -0.057 2.515 5.956 1.00 0.00 C ATOM 337 O THR A 22 -0.610 1.418 5.894 1.00 0.00 O ATOM 338 CB THR A 22 -0.834 4.319 4.320 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.929 5.230 4.259 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.195 3.235 3.301 1.00 0.00 C ATOM 0 H THR A 22 -0.290 5.774 6.186 1.00 0.00 H new ATOM 0 HA THR A 22 -1.889 3.548 6.011 1.00 0.00 H new ATOM 0 HB THR A 22 0.156 4.714 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.985 5.614 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.162 3.655 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.482 2.414 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.199 2.863 3.506 1.00 0.00 H new ATOM 348 N LYS A 23 1.235 2.691 6.191 1.00 0.00 N ATOM 349 CA LYS A 23 2.119 1.556 6.398 1.00 0.00 C ATOM 350 C LYS A 23 1.771 0.879 7.725 1.00 0.00 C ATOM 351 O LYS A 23 1.481 -0.316 7.758 1.00 0.00 O ATOM 352 CB LYS A 23 3.583 1.992 6.296 1.00 0.00 C ATOM 353 CG LYS A 23 4.190 1.565 4.958 1.00 0.00 C ATOM 354 CD LYS A 23 3.913 2.606 3.872 1.00 0.00 C ATOM 355 CE LYS A 23 5.082 3.585 3.740 1.00 0.00 C ATOM 356 NZ LYS A 23 4.957 4.376 2.496 1.00 0.00 N ATOM 0 H LYS A 23 1.691 3.602 6.243 1.00 0.00 H new ATOM 0 HA LYS A 23 1.975 0.813 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.652 3.075 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.154 1.555 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.266 1.429 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.776 0.602 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.743 2.106 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.001 3.153 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.104 4.252 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.024 3.037 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.896 4.718 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.558 3.779 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.329 5.188 2.663 1.00 0.00 H new ATOM 370 N ASP A 24 1.813 1.671 8.786 1.00 0.00 N ATOM 371 CA ASP A 24 1.505 1.162 10.111 1.00 0.00 C ATOM 372 C ASP A 24 0.078 0.609 10.122 1.00 0.00 C ATOM 373 O ASP A 24 -0.187 -0.421 10.740 1.00 0.00 O ATOM 374 CB ASP A 24 1.590 2.272 11.161 1.00 0.00 C ATOM 375 CG ASP A 24 2.885 2.296 11.976 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.721 1.397 11.737 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.009 3.211 12.817 1.00 0.00 O ATOM 0 H ASP A 24 2.056 2.661 8.755 1.00 0.00 H new ATOM 0 HA ASP A 24 2.230 0.383 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.476 3.234 10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.749 2.168 11.847 1.00 0.00 H new ATOM 382 N GLU A 25 -0.802 1.319 9.432 1.00 0.00 N ATOM 383 CA GLU A 25 -2.195 0.911 9.354 1.00 0.00 C ATOM 384 C GLU A 25 -2.297 -0.543 8.891 1.00 0.00 C ATOM 385 O GLU A 25 -3.029 -1.336 9.480 1.00 0.00 O ATOM 386 CB GLU A 25 -2.986 1.838 8.430 1.00 0.00 C ATOM 387 CG GLU A 25 -3.652 2.965 9.223 1.00 0.00 C ATOM 388 CD GLU A 25 -5.148 3.045 8.911 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.747 1.965 8.723 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.658 4.186 8.868 1.00 0.00 O ATOM 0 H GLU A 25 -0.578 2.174 8.922 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.632 0.986 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.321 2.262 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.745 1.265 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.508 2.798 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.175 3.915 8.982 1.00 0.00 H new ATOM 397 N VAL A 26 -1.553 -0.849 7.838 1.00 0.00 N ATOM 398 CA VAL A 26 -1.551 -2.195 7.289 1.00 0.00 C ATOM 399 C VAL A 26 -0.810 -3.131 8.246 1.00 0.00 C ATOM 400 O VAL A 26 -1.325 -4.188 8.609 1.00 0.00 O ATOM 401 CB VAL A 26 -0.953 -2.184 5.880 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.410 -2.878 5.858 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.911 -2.824 4.873 1.00 0.00 C ATOM 0 H VAL A 26 -0.948 -0.188 7.351 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.570 -2.570 7.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.804 -1.145 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.813 -2.856 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.093 -2.360 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.297 -3.913 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.462 -2.803 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.106 -3.857 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.849 -2.268 4.859 1.00 0.00 H new ATOM 413 N ILE A 27 0.387 -2.710 8.626 1.00 0.00 N ATOM 414 CA ILE A 27 1.204 -3.497 9.534 1.00 0.00 C ATOM 415 C ILE A 27 0.330 -4.023 10.675 1.00 0.00 C ATOM 416 O ILE A 27 0.456 -5.178 11.076 1.00 0.00 O ATOM 417 CB ILE A 27 2.411 -2.685 10.009 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.286 -2.262 8.827 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.208 -3.456 11.065 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.389 -3.289 8.566 1.00 0.00 C ATOM 0 H ILE A 27 0.811 -1.834 8.322 1.00 0.00 H new ATOM 0 HA ILE A 27 1.615 -4.366 9.020 1.00 0.00 H new ATOM 0 HB ILE A 27 2.046 -1.773 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.669 -2.151 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.732 -1.288 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.060 -2.857 11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.568 -3.666 11.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.563 -4.394 10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.996 -2.964 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.018 -3.380 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.940 -4.256 8.339 1.00 0.00 H new ATOM 432 N ALA A 28 -0.538 -3.149 11.164 1.00 0.00 N ATOM 433 CA ALA A 28 -1.433 -3.511 12.249 1.00 0.00 C ATOM 434 C ALA A 28 -2.623 -4.290 11.686 1.00 0.00 C ATOM 435 O ALA A 28 -3.165 -5.170 12.352 1.00 0.00 O ATOM 436 CB ALA A 28 -1.865 -2.248 12.998 1.00 0.00 C ATOM 0 H ALA A 28 -0.640 -2.191 10.828 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.925 -4.157 12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.537 -2.520 13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.986 -1.747 13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.380 -1.576 12.312 1.00 0.00 H new ATOM 442 N GLU A 29 -2.995 -3.938 10.464 1.00 0.00 N ATOM 443 CA GLU A 29 -4.110 -4.594 9.802 1.00 0.00 C ATOM 444 C GLU A 29 -3.773 -6.059 9.520 1.00 0.00 C ATOM 445 O GLU A 29 -4.312 -6.959 10.163 1.00 0.00 O ATOM 446 CB GLU A 29 -4.492 -3.861 8.515 1.00 0.00 C ATOM 447 CG GLU A 29 -5.866 -4.310 8.015 1.00 0.00 C ATOM 448 CD GLU A 29 -6.984 -3.528 8.707 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.709 -2.374 9.103 1.00 0.00 O ATOM 450 OE2 GLU A 29 -8.089 -4.101 8.826 1.00 0.00 O ATOM 0 H GLU A 29 -2.544 -3.207 9.915 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.972 -4.562 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.500 -2.786 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.742 -4.051 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.930 -4.165 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.994 -5.376 8.201 1.00 0.00 H new ATOM 457 N GLY A 30 -2.882 -6.254 8.558 1.00 0.00 N ATOM 458 CA GLY A 30 -2.468 -7.595 8.183 1.00 0.00 C ATOM 459 C GLY A 30 -1.157 -7.562 7.394 1.00 0.00 C ATOM 460 O GLY A 30 -0.114 -7.975 7.898 1.00 0.00 O ATOM 0 H GLY A 30 -2.436 -5.506 8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.343 -8.205 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.247 -8.066 7.583 1.00 0.00 H new ATOM 464 N GLY A 31 -1.254 -7.069 6.169 1.00 0.00 N ATOM 465 CA GLY A 31 -0.090 -6.977 5.304 1.00 0.00 C ATOM 466 C GLY A 31 1.122 -6.441 6.071 1.00 0.00 C ATOM 467 O GLY A 31 0.987 -5.969 7.198 1.00 0.00 O ATOM 0 H GLY A 31 -2.121 -6.729 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.141 -7.960 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.310 -6.322 4.461 1.00 0.00 H new ATOM 471 N THR A 32 2.277 -6.534 5.429 1.00 0.00 N ATOM 472 CA THR A 32 3.510 -6.066 6.037 1.00 0.00 C ATOM 473 C THR A 32 4.294 -5.196 5.051 1.00 0.00 C ATOM 474 O THR A 32 3.820 -4.921 3.949 1.00 0.00 O ATOM 475 CB THR A 32 4.292 -7.287 6.524 1.00 0.00 C ATOM 476 OG1 THR A 32 3.281 -8.222 6.891 1.00 0.00 O ATOM 477 CG2 THR A 32 5.043 -7.019 7.829 1.00 0.00 C ATOM 0 H THR A 32 2.385 -6.927 4.494 1.00 0.00 H new ATOM 0 HA THR A 32 3.309 -5.428 6.897 1.00 0.00 H new ATOM 0 HB THR A 32 5.000 -7.595 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.700 -9.046 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.581 -7.918 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.752 -6.204 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.332 -6.744 8.608 1.00 0.00 H new ATOM 485 N ILE A 33 5.478 -4.789 5.482 1.00 0.00 N ATOM 486 CA ILE A 33 6.332 -3.957 4.651 1.00 0.00 C ATOM 487 C ILE A 33 7.763 -4.495 4.698 1.00 0.00 C ATOM 488 O ILE A 33 8.297 -4.756 5.774 1.00 0.00 O ATOM 489 CB ILE A 33 6.214 -2.488 5.063 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.747 -2.069 5.182 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.992 -1.586 4.104 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.061 -2.078 3.814 1.00 0.00 C ATOM 0 H ILE A 33 5.867 -5.020 6.396 1.00 0.00 H new ATOM 0 HA ILE A 33 6.009 -4.000 3.611 1.00 0.00 H new ATOM 0 HB ILE A 33 6.663 -2.372 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.226 -2.746 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.684 -1.072 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.892 -0.547 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.045 -1.868 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.595 -1.699 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.020 -1.776 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.570 -1.382 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.104 -3.082 3.392 1.00 0.00 H new ATOM 504 N THR A 34 8.343 -4.646 3.516 1.00 0.00 N ATOM 505 CA THR A 34 9.703 -5.149 3.409 1.00 0.00 C ATOM 506 C THR A 34 10.630 -4.064 2.858 1.00 0.00 C ATOM 507 O THR A 34 11.821 -4.048 3.163 1.00 0.00 O ATOM 508 CB THR A 34 9.671 -6.415 2.552 1.00 0.00 C ATOM 509 OG1 THR A 34 8.984 -6.017 1.367 1.00 0.00 O ATOM 510 CG2 THR A 34 8.781 -7.506 3.150 1.00 0.00 C ATOM 0 H THR A 34 7.897 -4.429 2.625 1.00 0.00 H new ATOM 0 HA THR A 34 10.107 -5.411 4.387 1.00 0.00 H new ATOM 0 HB THR A 34 10.685 -6.798 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.415 -6.424 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.794 -8.382 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.154 -7.779 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.760 -7.135 3.238 1.00 0.00 H new ATOM 518 N ASN A 35 10.048 -3.185 2.055 1.00 0.00 N ATOM 519 CA ASN A 35 10.808 -2.100 1.458 1.00 0.00 C ATOM 520 C ASN A 35 9.864 -0.941 1.131 1.00 0.00 C ATOM 521 O ASN A 35 8.653 -1.131 1.035 1.00 0.00 O ATOM 522 CB ASN A 35 11.477 -2.546 0.157 1.00 0.00 C ATOM 523 CG ASN A 35 12.990 -2.319 0.211 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.661 -2.668 1.168 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.485 -1.717 -0.867 1.00 0.00 N ATOM 0 H ASN A 35 9.059 -3.202 1.804 1.00 0.00 H new ATOM 0 HA ASN A 35 11.574 -1.794 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.270 -3.602 -0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.053 -1.994 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.484 -1.521 -0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.865 -1.452 -1.633 1.00 0.00 H new ATOM 532 N GLU A 36 10.454 0.234 0.970 1.00 0.00 N ATOM 533 CA GLU A 36 9.680 1.423 0.656 1.00 0.00 C ATOM 534 C GLU A 36 10.321 2.181 -0.509 1.00 0.00 C ATOM 535 O GLU A 36 11.436 1.866 -0.920 1.00 0.00 O ATOM 536 CB GLU A 36 9.537 2.324 1.884 1.00 0.00 C ATOM 537 CG GLU A 36 10.700 3.313 1.978 1.00 0.00 C ATOM 538 CD GLU A 36 12.022 2.583 2.228 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.259 2.224 3.402 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.764 2.400 1.239 1.00 0.00 O ATOM 0 H GLU A 36 11.459 0.388 1.051 1.00 0.00 H new ATOM 0 HA GLU A 36 8.679 1.113 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.595 2.869 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.501 1.713 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.768 3.889 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.514 4.023 2.784 1.00 0.00 H new ATOM 547 N TYR A 37 9.589 3.167 -1.005 1.00 0.00 N ATOM 548 CA TYR A 37 10.072 3.974 -2.113 1.00 0.00 C ATOM 549 C TYR A 37 10.006 5.464 -1.777 1.00 0.00 C ATOM 550 O TYR A 37 8.928 6.057 -1.775 1.00 0.00 O ATOM 551 CB TYR A 37 9.131 3.685 -3.285 1.00 0.00 C ATOM 552 CG TYR A 37 9.278 2.279 -3.870 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.455 1.908 -4.489 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.233 1.382 -3.778 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.591 0.585 -5.039 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.371 0.058 -4.328 1.00 0.00 C ATOM 557 CZ TYR A 37 9.543 -0.275 -4.932 1.00 0.00 C ATOM 558 OH TYR A 37 9.674 -1.525 -5.450 1.00 0.00 O ATOM 0 H TYR A 37 8.665 3.426 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 37 11.110 3.732 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.102 3.824 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.314 4.416 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.273 2.610 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.312 1.673 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.506 0.282 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.562 -0.654 -4.262 1.00 0.00 H new ATOM 0 HH TYR A 37 8.847 -2.030 -5.300 1.00 0.00 H new ATOM 568 N ASN A 38 11.173 6.028 -1.500 1.00 0.00 N ATOM 569 CA ASN A 38 11.263 7.438 -1.162 1.00 0.00 C ATOM 570 C ASN A 38 12.064 8.167 -2.242 1.00 0.00 C ATOM 571 O ASN A 38 13.086 8.787 -1.950 1.00 0.00 O ATOM 572 CB ASN A 38 11.977 7.641 0.176 1.00 0.00 C ATOM 573 CG ASN A 38 11.540 6.588 1.196 1.00 0.00 C ATOM 574 OD1 ASN A 38 10.405 6.140 1.217 1.00 0.00 O ATOM 575 ND2 ASN A 38 12.500 6.219 2.039 1.00 0.00 N ATOM 0 H ASN A 38 12.065 5.533 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 38 10.249 7.832 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.056 7.584 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.760 8.637 0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.307 5.521 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.429 6.634 1.967 1.00 0.00 H new ATOM 582 N MET A 39 11.571 8.068 -3.468 1.00 0.00 N ATOM 583 CA MET A 39 12.229 8.711 -4.593 1.00 0.00 C ATOM 584 C MET A 39 11.632 10.094 -4.860 1.00 0.00 C ATOM 585 O MET A 39 10.484 10.358 -4.508 1.00 0.00 O ATOM 586 CB MET A 39 12.074 7.838 -5.840 1.00 0.00 C ATOM 587 CG MET A 39 13.128 6.730 -5.868 1.00 0.00 C ATOM 588 SD MET A 39 14.179 6.920 -7.298 1.00 0.00 S ATOM 589 CE MET A 39 13.544 5.608 -8.327 1.00 0.00 C ATOM 0 H MET A 39 10.724 7.552 -3.707 1.00 0.00 H new ATOM 0 HA MET A 39 13.285 8.833 -4.352 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.077 7.397 -5.858 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.166 8.455 -6.734 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.728 6.765 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.641 5.755 -5.891 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.094 5.585 -9.268 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.663 4.654 -7.814 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.487 5.783 -8.528 1.00 0.00 H new ATOM 599 N PRO A 40 12.461 10.964 -5.497 1.00 0.00 N ATOM 600 CA PRO A 40 12.028 12.314 -5.815 1.00 0.00 C ATOM 601 C PRO A 40 11.060 12.314 -7.001 1.00 0.00 C ATOM 602 O PRO A 40 11.441 12.661 -8.117 1.00 0.00 O ATOM 603 CB PRO A 40 13.309 13.083 -6.094 1.00 0.00 C ATOM 604 CG PRO A 40 14.371 12.034 -6.377 1.00 0.00 C ATOM 605 CD PRO A 40 13.828 10.687 -5.930 1.00 0.00 C ATOM 0 HA PRO A 40 11.469 12.779 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.185 13.753 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.588 13.701 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.614 12.014 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.292 12.270 -5.844 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.846 9.963 -6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.424 10.269 -5.118 1.00 0.00 H new ATOM 613 N GLY A 41 9.828 11.921 -6.717 1.00 0.00 N ATOM 614 CA GLY A 41 8.802 11.871 -7.746 1.00 0.00 C ATOM 615 C GLY A 41 7.930 10.624 -7.590 1.00 0.00 C ATOM 616 O GLY A 41 6.872 10.520 -8.210 1.00 0.00 O ATOM 0 H GLY A 41 9.516 11.634 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.180 12.764 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.269 11.872 -8.731 1.00 0.00 H new ATOM 620 N MET A 42 8.404 9.709 -6.757 1.00 0.00 N ATOM 621 CA MET A 42 7.680 8.473 -6.512 1.00 0.00 C ATOM 622 C MET A 42 7.547 8.204 -5.012 1.00 0.00 C ATOM 623 O MET A 42 8.541 7.957 -4.332 1.00 0.00 O ATOM 624 CB MET A 42 8.417 7.309 -7.177 1.00 0.00 C ATOM 625 CG MET A 42 7.471 6.132 -7.424 1.00 0.00 C ATOM 626 SD MET A 42 7.912 5.303 -8.944 1.00 0.00 S ATOM 627 CE MET A 42 7.806 3.603 -8.411 1.00 0.00 C ATOM 0 H MET A 42 9.281 9.799 -6.243 1.00 0.00 H new ATOM 0 HA MET A 42 6.680 8.570 -6.935 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.848 7.639 -8.122 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.245 6.989 -6.544 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.523 5.432 -6.590 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.442 6.487 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.761 3.107 -8.585 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.568 3.569 -7.348 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.024 3.093 -8.974 1.00 0.00 H new ATOM 637 N LYS A 43 6.310 8.261 -4.540 1.00 0.00 N ATOM 638 CA LYS A 43 6.035 8.027 -3.133 1.00 0.00 C ATOM 639 C LYS A 43 5.176 6.768 -2.989 1.00 0.00 C ATOM 640 O LYS A 43 3.951 6.835 -3.074 1.00 0.00 O ATOM 641 CB LYS A 43 5.414 9.271 -2.494 1.00 0.00 C ATOM 642 CG LYS A 43 6.432 10.410 -2.412 1.00 0.00 C ATOM 643 CD LYS A 43 6.056 11.402 -1.309 1.00 0.00 C ATOM 644 CE LYS A 43 6.851 11.128 -0.031 1.00 0.00 C ATOM 645 NZ LYS A 43 6.139 11.668 1.149 1.00 0.00 N ATOM 0 H LYS A 43 5.487 8.466 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 43 6.962 7.846 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.550 9.591 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.052 9.029 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.424 10.003 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.482 10.927 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.247 12.420 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.989 11.331 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.002 10.055 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.839 11.582 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.280 11.032 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.513 12.611 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.123 11.741 0.938 1.00 0.00 H new ATOM 659 N GLY A 44 5.853 5.650 -2.773 1.00 0.00 N ATOM 660 CA GLY A 44 5.169 4.379 -2.616 1.00 0.00 C ATOM 661 C GLY A 44 5.968 3.431 -1.719 1.00 0.00 C ATOM 662 O GLY A 44 6.946 3.841 -1.094 1.00 0.00 O ATOM 0 H GLY A 44 6.869 5.599 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.181 4.545 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.019 3.920 -3.593 1.00 0.00 H new ATOM 666 N PHE A 45 5.524 2.184 -1.685 1.00 0.00 N ATOM 667 CA PHE A 45 6.185 1.176 -0.874 1.00 0.00 C ATOM 668 C PHE A 45 5.868 -0.231 -1.383 1.00 0.00 C ATOM 669 O PHE A 45 4.900 -0.427 -2.115 1.00 0.00 O ATOM 670 CB PHE A 45 5.649 1.324 0.551 1.00 0.00 C ATOM 671 CG PHE A 45 4.266 0.705 0.763 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.150 -0.620 1.044 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.153 1.481 0.668 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.865 -1.194 1.241 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.869 0.907 0.865 1.00 0.00 C ATOM 676 CZ PHE A 45 1.752 -0.418 1.147 1.00 0.00 C ATOM 0 H PHE A 45 4.714 1.848 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 45 7.265 1.314 -0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.353 0.861 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.604 2.383 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.034 -1.236 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.246 2.533 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.772 -2.246 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.985 1.523 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.775 -0.854 1.296 1.00 0.00 H new ATOM 686 N ALA A 46 6.702 -1.177 -0.974 1.00 0.00 N ATOM 687 CA ALA A 46 6.522 -2.560 -1.379 1.00 0.00 C ATOM 688 C ALA A 46 6.579 -3.460 -0.142 1.00 0.00 C ATOM 689 O ALA A 46 7.231 -3.124 0.844 1.00 0.00 O ATOM 690 CB ALA A 46 7.581 -2.930 -2.419 1.00 0.00 C ATOM 0 H ALA A 46 7.504 -1.012 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 46 5.546 -2.700 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.446 -3.968 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.479 -2.281 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.574 -2.805 -1.987 1.00 0.00 H new ATOM 696 N GLY A 47 5.887 -4.587 -0.237 1.00 0.00 N ATOM 697 CA GLY A 47 5.852 -5.538 0.860 1.00 0.00 C ATOM 698 C GLY A 47 4.785 -6.609 0.623 1.00 0.00 C ATOM 699 O GLY A 47 4.521 -6.986 -0.517 1.00 0.00 O ATOM 0 H GLY A 47 5.347 -4.862 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.829 -6.010 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.646 -5.014 1.794 1.00 0.00 H new ATOM 703 N GLU A 48 4.200 -7.069 1.720 1.00 0.00 N ATOM 704 CA GLU A 48 3.168 -8.089 1.646 1.00 0.00 C ATOM 705 C GLU A 48 1.796 -7.478 1.937 1.00 0.00 C ATOM 706 O GLU A 48 1.660 -6.652 2.837 1.00 0.00 O ATOM 707 CB GLU A 48 3.470 -9.244 2.602 1.00 0.00 C ATOM 708 CG GLU A 48 4.358 -10.294 1.932 1.00 0.00 C ATOM 709 CD GLU A 48 5.769 -10.277 2.523 1.00 0.00 C ATOM 710 OE1 GLU A 48 6.180 -9.186 2.977 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.405 -11.352 2.508 1.00 0.00 O ATOM 0 H GLU A 48 4.421 -6.754 2.665 1.00 0.00 H new ATOM 0 HA GLU A 48 3.155 -8.494 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.964 -8.861 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.537 -9.705 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.918 -11.283 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.407 -10.104 0.860 1.00 0.00 H new ATOM 718 N LEU A 49 0.814 -7.910 1.159 1.00 0.00 N ATOM 719 CA LEU A 49 -0.543 -7.416 1.323 1.00 0.00 C ATOM 720 C LEU A 49 -1.528 -8.567 1.114 1.00 0.00 C ATOM 721 O LEU A 49 -1.128 -9.729 1.052 1.00 0.00 O ATOM 722 CB LEU A 49 -0.791 -6.218 0.404 1.00 0.00 C ATOM 723 CG LEU A 49 -0.574 -4.838 1.028 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.144 -3.903 0.053 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.896 -4.246 1.521 1.00 0.00 C ATOM 0 H LEU A 49 0.931 -8.596 0.414 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.695 -7.047 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.137 -6.309 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.816 -6.272 0.038 1.00 0.00 H new ATOM 0 HG LEU A 49 0.072 -4.954 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.286 -2.929 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.114 -4.325 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.456 -3.788 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.714 -3.265 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.585 -4.146 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.332 -4.905 2.272 1.00 0.00 H new ATOM 737 N THR A 50 -2.798 -8.205 1.011 1.00 0.00 N ATOM 738 CA THR A 50 -3.844 -9.192 0.810 1.00 0.00 C ATOM 739 C THR A 50 -4.997 -8.592 0.002 1.00 0.00 C ATOM 740 O THR A 50 -4.910 -7.455 -0.460 1.00 0.00 O ATOM 741 CB THR A 50 -4.272 -9.714 2.183 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.305 -9.172 3.078 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.096 -11.228 2.316 1.00 0.00 C ATOM 0 H THR A 50 -3.126 -7.241 1.063 1.00 0.00 H new ATOM 0 HA THR A 50 -3.482 -10.036 0.223 1.00 0.00 H new ATOM 0 HB THR A 50 -5.315 -9.454 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.508 -9.460 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.414 -11.545 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.701 -11.732 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.047 -11.486 2.172 1.00 0.00 H new ATOM 751 N PRO A 51 -6.077 -9.405 -0.149 1.00 0.00 N ATOM 752 CA PRO A 51 -7.245 -8.965 -0.893 1.00 0.00 C ATOM 753 C PRO A 51 -8.068 -7.963 -0.081 1.00 0.00 C ATOM 754 O PRO A 51 -8.606 -7.004 -0.633 1.00 0.00 O ATOM 755 CB PRO A 51 -8.010 -10.240 -1.213 1.00 0.00 C ATOM 756 CG PRO A 51 -7.492 -11.291 -0.245 1.00 0.00 C ATOM 757 CD PRO A 51 -6.215 -10.756 0.384 1.00 0.00 C ATOM 0 HA PRO A 51 -6.985 -8.431 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.083 -10.092 -1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.845 -10.546 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.236 -11.503 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.297 -12.228 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.283 -10.747 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.356 -11.374 0.123 1.00 0.00 H new ATOM 765 N GLN A 52 -8.141 -8.219 1.217 1.00 0.00 N ATOM 766 CA GLN A 52 -8.889 -7.352 2.111 1.00 0.00 C ATOM 767 C GLN A 52 -8.257 -5.959 2.151 1.00 0.00 C ATOM 768 O GLN A 52 -8.939 -4.957 1.946 1.00 0.00 O ATOM 769 CB GLN A 52 -8.978 -7.954 3.514 1.00 0.00 C ATOM 770 CG GLN A 52 -9.716 -7.015 4.469 1.00 0.00 C ATOM 771 CD GLN A 52 -9.508 -7.439 5.924 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.427 -7.843 6.617 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.252 -7.322 6.347 1.00 0.00 N ATOM 0 H GLN A 52 -7.694 -9.015 1.671 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.905 -7.258 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.495 -8.913 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.975 -8.150 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.359 -5.995 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.781 -7.015 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.531 -6.977 5.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.010 -7.578 7.304 1.00 0.00 H new ATOM 782 N SER A 53 -6.959 -5.941 2.417 1.00 0.00 N ATOM 783 CA SER A 53 -6.226 -4.688 2.487 1.00 0.00 C ATOM 784 C SER A 53 -6.403 -3.906 1.185 1.00 0.00 C ATOM 785 O SER A 53 -6.512 -2.681 1.203 1.00 0.00 O ATOM 786 CB SER A 53 -4.742 -4.933 2.761 1.00 0.00 C ATOM 787 OG SER A 53 -4.454 -4.961 4.157 1.00 0.00 O ATOM 0 H SER A 53 -6.396 -6.774 2.587 1.00 0.00 H new ATOM 0 HA SER A 53 -6.628 -4.102 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.441 -5.879 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.151 -4.150 2.285 1.00 0.00 H new ATOM 0 HG SER A 53 -3.537 -5.277 4.296 1.00 0.00 H new ATOM 793 N LEU A 54 -6.427 -4.644 0.085 1.00 0.00 N ATOM 794 CA LEU A 54 -6.589 -4.034 -1.223 1.00 0.00 C ATOM 795 C LEU A 54 -7.821 -3.127 -1.210 1.00 0.00 C ATOM 796 O LEU A 54 -7.696 -1.905 -1.174 1.00 0.00 O ATOM 797 CB LEU A 54 -6.627 -5.107 -2.313 1.00 0.00 C ATOM 798 CG LEU A 54 -5.290 -5.429 -2.985 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.503 -5.936 -4.413 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.349 -4.224 -2.938 1.00 0.00 C ATOM 0 H LEU A 54 -6.337 -5.660 0.073 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.732 -3.403 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.023 -6.025 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.331 -4.790 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.811 -6.233 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.538 -6.158 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.110 -6.841 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.013 -5.171 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.406 -4.479 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.808 -3.383 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.161 -3.949 -1.900 1.00 0.00 H new ATOM 812 N THR A 55 -8.984 -3.763 -1.238 1.00 0.00 N ATOM 813 CA THR A 55 -10.237 -3.028 -1.230 1.00 0.00 C ATOM 814 C THR A 55 -10.132 -1.802 -0.322 1.00 0.00 C ATOM 815 O THR A 55 -10.785 -0.787 -0.562 1.00 0.00 O ATOM 816 CB THR A 55 -11.349 -3.995 -0.817 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.458 -4.891 -1.920 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.720 -3.318 -0.751 1.00 0.00 C ATOM 0 H THR A 55 -9.084 -4.778 -1.266 1.00 0.00 H new ATOM 0 HA THR A 55 -10.473 -2.640 -2.221 1.00 0.00 H new ATOM 0 HB THR A 55 -11.110 -4.428 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.156 -5.553 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.472 -4.048 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.691 -2.509 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.974 -2.914 -1.731 1.00 0.00 H new ATOM 826 N LYS A 56 -9.303 -1.934 0.704 1.00 0.00 N ATOM 827 CA LYS A 56 -9.102 -0.849 1.649 1.00 0.00 C ATOM 828 C LYS A 56 -8.688 0.413 0.890 1.00 0.00 C ATOM 829 O LYS A 56 -9.466 1.360 0.781 1.00 0.00 O ATOM 830 CB LYS A 56 -8.111 -1.265 2.738 1.00 0.00 C ATOM 831 CG LYS A 56 -8.485 -0.643 4.085 1.00 0.00 C ATOM 832 CD LYS A 56 -7.725 0.665 4.315 1.00 0.00 C ATOM 833 CE LYS A 56 -6.236 0.401 4.547 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.433 1.579 4.149 1.00 0.00 N ATOM 0 H LYS A 56 -8.763 -2.776 0.901 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.032 -0.618 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.097 -2.351 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.105 -0.955 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.558 -0.455 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.260 -1.344 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.852 1.320 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.144 1.187 5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.061 0.172 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.922 -0.471 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.425 1.383 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.587 1.780 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.722 2.403 4.714 1.00 0.00 H new ATOM 848 N PHE A 57 -7.464 0.387 0.384 1.00 0.00 N ATOM 849 CA PHE A 57 -6.936 1.517 -0.363 1.00 0.00 C ATOM 850 C PHE A 57 -7.188 1.348 -1.862 1.00 0.00 C ATOM 851 O PHE A 57 -6.701 2.139 -2.669 1.00 0.00 O ATOM 852 CB PHE A 57 -5.429 1.555 -0.111 1.00 0.00 C ATOM 853 CG PHE A 57 -4.750 0.185 -0.185 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.422 -0.347 -1.393 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.476 -0.501 0.956 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.793 -1.618 -1.462 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.847 -1.771 0.888 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.519 -2.303 -0.320 1.00 0.00 C ATOM 0 H PHE A 57 -6.821 -0.400 0.477 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.424 2.437 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.966 2.219 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.246 1.987 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.640 0.197 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.737 -0.079 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.532 -2.040 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.629 -2.315 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.041 -3.270 -0.372 1.00 0.00 H new ATOM 868 N GLN A 58 -7.948 0.314 -2.190 1.00 0.00 N ATOM 869 CA GLN A 58 -8.270 0.033 -3.579 1.00 0.00 C ATOM 870 C GLN A 58 -9.559 0.752 -3.982 1.00 0.00 C ATOM 871 O GLN A 58 -9.635 1.337 -5.062 1.00 0.00 O ATOM 872 CB GLN A 58 -8.384 -1.474 -3.820 1.00 0.00 C ATOM 873 CG GLN A 58 -7.010 -2.094 -4.078 1.00 0.00 C ATOM 874 CD GLN A 58 -6.920 -2.660 -5.497 1.00 0.00 C ATOM 875 OE1 GLN A 58 -5.993 -2.391 -6.243 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.933 -3.455 -5.828 1.00 0.00 N ATOM 0 H GLN A 58 -8.350 -0.340 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.459 0.408 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.845 -1.950 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.037 -1.661 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.235 -1.342 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.823 -2.887 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.678 -3.639 -5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.966 -3.881 -6.754 1.00 0.00 H new ATOM 885 N GLY A 59 -10.538 0.685 -3.092 1.00 0.00 N ATOM 886 CA GLY A 59 -11.819 1.324 -3.341 1.00 0.00 C ATOM 887 C GLY A 59 -11.710 2.845 -3.209 1.00 0.00 C ATOM 888 O GLY A 59 -12.375 3.584 -3.932 1.00 0.00 O ATOM 0 H GLY A 59 -10.470 0.198 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.169 1.067 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.560 0.947 -2.637 1.00 0.00 H new ATOM 892 N LEU A 60 -10.866 3.266 -2.278 1.00 0.00 N ATOM 893 CA LEU A 60 -10.660 4.684 -2.041 1.00 0.00 C ATOM 894 C LEU A 60 -9.578 5.204 -2.988 1.00 0.00 C ATOM 895 O LEU A 60 -9.412 6.413 -3.144 1.00 0.00 O ATOM 896 CB LEU A 60 -10.361 4.943 -0.562 1.00 0.00 C ATOM 897 CG LEU A 60 -9.463 6.144 -0.260 1.00 0.00 C ATOM 898 CD1 LEU A 60 -10.279 7.437 -0.205 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.658 5.919 1.021 1.00 0.00 C ATOM 0 H LEU A 60 -10.317 2.649 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.570 5.242 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.307 5.082 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.894 4.051 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.747 6.249 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.617 8.276 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.769 7.599 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.033 7.358 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.028 6.788 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.340 5.774 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.031 5.035 0.906 1.00 0.00 H new ATOM 911 N GLN A 61 -8.868 4.266 -3.596 1.00 0.00 N ATOM 912 CA GLN A 61 -7.805 4.614 -4.524 1.00 0.00 C ATOM 913 C GLN A 61 -8.217 5.817 -5.375 1.00 0.00 C ATOM 914 O GLN A 61 -9.397 5.995 -5.675 1.00 0.00 O ATOM 915 CB GLN A 61 -7.433 3.419 -5.404 1.00 0.00 C ATOM 916 CG GLN A 61 -6.560 3.857 -6.582 1.00 0.00 C ATOM 917 CD GLN A 61 -5.664 2.711 -7.056 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.642 1.631 -6.490 1.00 0.00 O ATOM 919 NE2 GLN A 61 -4.927 3.006 -8.124 1.00 0.00 N ATOM 0 H GLN A 61 -9.008 3.264 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.921 4.888 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.902 2.676 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.339 2.941 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.193 4.192 -7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.944 4.707 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.993 3.930 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.296 2.308 -8.517 1.00 0.00 H new ATOM 928 N GLY A 62 -7.222 6.610 -5.743 1.00 0.00 N ATOM 929 CA GLY A 62 -7.465 7.789 -6.554 1.00 0.00 C ATOM 930 C GLY A 62 -7.393 9.062 -5.707 1.00 0.00 C ATOM 931 O GLY A 62 -7.312 10.166 -6.244 1.00 0.00 O ATOM 0 H GLY A 62 -6.245 6.458 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.730 7.840 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.446 7.716 -7.024 1.00 0.00 H new ATOM 935 N ASP A 63 -7.424 8.865 -4.397 1.00 0.00 N ATOM 936 CA ASP A 63 -7.363 9.983 -3.471 1.00 0.00 C ATOM 937 C ASP A 63 -6.044 9.926 -2.695 1.00 0.00 C ATOM 938 O ASP A 63 -5.487 10.962 -2.336 1.00 0.00 O ATOM 939 CB ASP A 63 -8.508 9.923 -2.459 1.00 0.00 C ATOM 940 CG ASP A 63 -8.769 11.225 -1.699 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.235 12.262 -2.148 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.495 11.155 -0.683 1.00 0.00 O ATOM 0 H ASP A 63 -7.491 7.948 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.440 10.904 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.420 9.636 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.294 9.135 -1.737 1.00 0.00 H new ATOM 947 N LEU A 64 -5.584 8.706 -2.463 1.00 0.00 N ATOM 948 CA LEU A 64 -4.342 8.501 -1.737 1.00 0.00 C ATOM 949 C LEU A 64 -3.521 7.415 -2.438 1.00 0.00 C ATOM 950 O LEU A 64 -2.506 6.963 -1.911 1.00 0.00 O ATOM 951 CB LEU A 64 -4.625 8.204 -0.264 1.00 0.00 C ATOM 952 CG LEU A 64 -5.149 6.801 0.050 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.051 6.289 -1.075 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.997 5.837 0.342 1.00 0.00 C ATOM 0 H LEU A 64 -6.049 7.849 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.741 9.410 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.706 8.362 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.351 8.931 0.099 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.758 6.858 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.410 5.290 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.901 6.961 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.485 6.251 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.398 4.847 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.342 5.778 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.429 6.198 1.200 1.00 0.00 H new ATOM 966 N ILE A 65 -3.993 7.028 -3.613 1.00 0.00 N ATOM 967 CA ILE A 65 -3.315 6.003 -4.391 1.00 0.00 C ATOM 968 C ILE A 65 -3.241 6.445 -5.853 1.00 0.00 C ATOM 969 O ILE A 65 -4.257 6.490 -6.545 1.00 0.00 O ATOM 970 CB ILE A 65 -3.993 4.645 -4.192 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.897 4.191 -2.735 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.422 3.603 -5.156 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.988 2.968 -2.600 1.00 0.00 C ATOM 0 H ILE A 65 -4.836 7.405 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.290 5.876 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.052 4.754 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.511 5.005 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.892 3.952 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.920 2.647 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.586 3.929 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.353 3.490 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.937 2.666 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.390 2.148 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.988 3.217 -2.955 1.00 0.00 H new ATOM 985 N ASP A 66 -2.027 6.761 -6.281 1.00 0.00 N ATOM 986 CA ASP A 66 -1.805 7.199 -7.649 1.00 0.00 C ATOM 987 C ASP A 66 -1.751 5.976 -8.568 1.00 0.00 C ATOM 988 O ASP A 66 -2.155 6.049 -9.727 1.00 0.00 O ATOM 989 CB ASP A 66 -0.478 7.948 -7.779 1.00 0.00 C ATOM 990 CG ASP A 66 -0.590 9.367 -8.341 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.734 9.866 -8.399 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.473 9.921 -8.699 1.00 0.00 O ATOM 0 H ASP A 66 -1.187 6.722 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.622 7.864 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.008 7.998 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.187 7.370 -8.421 1.00 0.00 H new ATOM 997 N SER A 67 -1.247 4.882 -8.014 1.00 0.00 N ATOM 998 CA SER A 67 -1.134 3.646 -8.771 1.00 0.00 C ATOM 999 C SER A 67 -1.046 2.455 -7.815 1.00 0.00 C ATOM 1000 O SER A 67 -0.590 2.597 -6.681 1.00 0.00 O ATOM 1001 CB SER A 67 0.083 3.675 -9.696 1.00 0.00 C ATOM 1002 OG SER A 67 0.021 4.753 -10.627 1.00 0.00 O ATOM 0 H SER A 67 -0.913 4.826 -7.052 1.00 0.00 H new ATOM 0 HA SER A 67 -2.024 3.542 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.990 3.764 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.149 2.731 -10.238 1.00 0.00 H new ATOM 0 HG SER A 67 -0.884 5.130 -10.632 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.488 1.307 -8.308 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.464 0.092 -7.511 1.00 0.00 C ATOM 1010 C ILE A 68 -1.038 -1.083 -8.394 1.00 0.00 C ATOM 1011 O ILE A 68 -1.463 -1.187 -9.543 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.810 -0.118 -6.815 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.625 -0.802 -5.459 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.779 -0.887 -7.717 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.514 -0.156 -4.394 1.00 0.00 C ATOM 0 H ILE A 68 -1.865 1.193 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.727 0.174 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.253 0.860 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.867 -1.861 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.580 -0.737 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.728 -1.023 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.945 -0.325 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.355 -1.861 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.364 -0.661 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.253 0.897 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.559 -0.244 -4.690 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.201 -1.937 -7.822 1.00 0.00 N ATOM 1028 CA GLU A 69 0.288 -3.100 -8.543 1.00 0.00 C ATOM 1029 C GLU A 69 0.209 -4.345 -7.658 1.00 0.00 C ATOM 1030 O GLU A 69 1.225 -4.815 -7.149 1.00 0.00 O ATOM 1031 CB GLU A 69 1.715 -2.875 -9.045 1.00 0.00 C ATOM 1032 CG GLU A 69 2.035 -3.797 -10.222 1.00 0.00 C ATOM 1033 CD GLU A 69 3.391 -3.448 -10.841 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.333 -3.221 -10.051 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.454 -3.415 -12.088 1.00 0.00 O ATOM 0 H GLU A 69 0.150 -1.847 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.348 -3.256 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.837 -1.836 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.422 -3.055 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.041 -4.834 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.254 -3.712 -10.978 1.00 0.00 H new ATOM 1042 N GLU A 70 -1.009 -4.844 -7.500 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.234 -6.025 -6.685 1.00 0.00 C ATOM 1044 C GLU A 70 -0.636 -7.260 -7.363 1.00 0.00 C ATOM 1045 O GLU A 70 -0.821 -7.466 -8.562 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.725 -6.222 -6.404 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.544 -6.110 -7.692 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.538 -4.950 -7.610 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.127 -3.886 -7.099 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -5.685 -5.152 -8.062 1.00 0.00 O ATOM 0 H GLU A 70 -1.850 -4.451 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.733 -5.882 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.887 -7.199 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.065 -5.476 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.876 -5.962 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.081 -7.042 -7.868 1.00 0.00 H new ATOM 1057 N ASP A 71 0.069 -8.050 -6.566 1.00 0.00 N ATOM 1058 CA ASP A 71 0.695 -9.259 -7.075 1.00 0.00 C ATOM 1059 C ASP A 71 0.437 -10.410 -6.099 1.00 0.00 C ATOM 1060 O ASP A 71 1.235 -11.341 -6.008 1.00 0.00 O ATOM 1061 CB ASP A 71 2.209 -9.081 -7.205 1.00 0.00 C ATOM 1062 CG ASP A 71 2.864 -9.912 -8.311 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.145 -10.233 -9.282 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.069 -10.208 -8.160 1.00 0.00 O ATOM 0 H ASP A 71 0.221 -7.877 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 71 0.271 -9.472 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.422 -8.028 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.673 -9.339 -6.253 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.681 -10.308 -5.395 1.00 0.00 N ATOM 1070 CA GLY A 72 -1.054 -11.328 -4.431 1.00 0.00 C ATOM 1071 C GLY A 72 -1.355 -12.657 -5.129 1.00 0.00 C ATOM 1072 O GLY A 72 -1.808 -12.673 -6.272 1.00 0.00 O ATOM 0 H GLY A 72 -1.341 -9.534 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.247 -11.466 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.930 -11.001 -3.870 1.00 0.00 H new