USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 872 hydrogens (12 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 43 TYR OH : rot -109:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -147:sc= -0.0602 (180deg=-1.66!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.179 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.12 (180deg=1.07) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.0306 X(o=0.031,f=-0.0047) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.654 K(o=0.65,f=-6.1!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= 0.653 (180deg=-0.219) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 71 TYR OH : rot -177:sc= 0.142 USER MOD Single : A 77 ASN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 78 MET CE :methyl 148:sc= -0.147 (180deg=-0.532) USER MOD Single : A 80 GLN : amide:sc= 1.82 K(o=1.8,f=-4.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.044) USER MOD Single : A 86 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0.513 (180deg=0.499) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.787) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 201 ATP O2' : rot 180:sc= 0 USER MOD Single : A 201 ATP O3' : rot 140:sc= 0.0578 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.384 33.647 -3.435 1.00 0.00 N ATOM 2 CA PRO A 1 -5.114 32.888 -3.441 1.00 0.00 C ATOM 3 C PRO A 1 -5.310 31.371 -3.601 1.00 0.00 C ATOM 4 O PRO A 1 -6.367 30.838 -3.262 1.00 0.00 O ATOM 5 CB PRO A 1 -4.391 33.267 -2.140 1.00 0.00 C ATOM 6 CG PRO A 1 -4.932 34.664 -1.794 1.00 0.00 C ATOM 7 CD PRO A 1 -5.972 34.952 -2.879 1.00 0.00 C ATOM 0 H2 PRO A 1 -7.094 33.195 -2.858 1.00 0.00 H new ATOM 0 H3 PRO A 1 -6.776 33.740 -4.372 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.514 33.152 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.602 32.551 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.310 33.282 -2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -5.380 34.681 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.137 35.410 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.828 35.482 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.552 35.588 -3.658 1.00 0.00 H new ATOM 15 N SER A 2 -4.292 30.670 -4.105 1.00 0.00 N ATOM 16 CA SER A 2 -4.311 29.226 -4.408 1.00 0.00 C ATOM 17 C SER A 2 -2.888 28.683 -4.661 1.00 0.00 C ATOM 18 O SER A 2 -1.942 29.452 -4.864 1.00 0.00 O ATOM 19 CB SER A 2 -5.229 28.935 -5.615 1.00 0.00 C ATOM 20 OG SER A 2 -4.831 29.648 -6.783 1.00 0.00 O ATOM 0 H SER A 2 -3.395 31.103 -4.324 1.00 0.00 H new ATOM 0 HA SER A 2 -4.712 28.709 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.221 27.865 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.255 29.202 -5.361 1.00 0.00 H new ATOM 0 HG SER A 2 -5.439 29.432 -7.521 1.00 0.00 H new ATOM 26 N SER A 3 -2.711 27.358 -4.649 1.00 0.00 N ATOM 27 CA SER A 3 -1.414 26.687 -4.838 1.00 0.00 C ATOM 28 C SER A 3 -1.589 25.212 -5.239 1.00 0.00 C ATOM 29 O SER A 3 -2.554 24.553 -4.838 1.00 0.00 O ATOM 30 CB SER A 3 -0.585 26.782 -3.545 1.00 0.00 C ATOM 31 OG SER A 3 0.673 26.130 -3.683 1.00 0.00 O ATOM 0 H SER A 3 -3.481 26.705 -4.505 1.00 0.00 H new ATOM 0 HA SER A 3 -0.891 27.193 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.427 27.830 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.140 26.333 -2.722 1.00 0.00 H new ATOM 0 HG SER A 3 1.176 26.210 -2.846 1.00 0.00 H new ATOM 37 N GLY A 4 -0.618 24.658 -5.980 1.00 0.00 N ATOM 38 CA GLY A 4 -0.536 23.217 -6.260 1.00 0.00 C ATOM 39 C GLY A 4 -0.237 22.382 -5.008 1.00 0.00 C ATOM 40 O GLY A 4 -0.507 21.182 -4.991 1.00 0.00 O ATOM 0 H GLY A 4 0.136 25.199 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.477 22.883 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.242 23.040 -7.003 1.00 0.00 H new ATOM 44 N SER A 5 0.261 23.009 -3.940 1.00 0.00 N ATOM 45 CA SER A 5 0.480 22.376 -2.629 1.00 0.00 C ATOM 46 C SER A 5 -0.807 22.261 -1.783 1.00 0.00 C ATOM 47 O SER A 5 -0.795 21.627 -0.726 1.00 0.00 O ATOM 48 CB SER A 5 1.553 23.149 -1.844 1.00 0.00 C ATOM 49 OG SER A 5 2.782 23.213 -2.561 1.00 0.00 O ATOM 0 H SER A 5 0.530 23.993 -3.959 1.00 0.00 H new ATOM 0 HA SER A 5 0.817 21.359 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.198 24.159 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.718 22.667 -0.880 1.00 0.00 H new ATOM 0 HG SER A 5 3.442 23.712 -2.036 1.00 0.00 H new ATOM 55 N SER A 6 -1.933 22.834 -2.226 1.00 0.00 N ATOM 56 CA SER A 6 -3.233 22.743 -1.535 1.00 0.00 C ATOM 57 C SER A 6 -3.975 21.408 -1.778 1.00 0.00 C ATOM 58 O SER A 6 -5.039 21.178 -1.196 1.00 0.00 O ATOM 59 CB SER A 6 -4.132 23.926 -1.943 1.00 0.00 C ATOM 60 OG SER A 6 -3.512 25.190 -1.709 1.00 0.00 O ATOM 0 H SER A 6 -1.971 23.382 -3.085 1.00 0.00 H new ATOM 0 HA SER A 6 -3.015 22.783 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.384 23.839 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.068 23.876 -1.387 1.00 0.00 H new ATOM 0 HG SER A 6 -4.119 25.908 -1.985 1.00 0.00 H new ATOM 66 N GLY A 7 -3.427 20.523 -2.626 1.00 0.00 N ATOM 67 CA GLY A 7 -3.949 19.182 -2.930 1.00 0.00 C ATOM 68 C GLY A 7 -2.874 18.089 -2.936 1.00 0.00 C ATOM 69 O GLY A 7 -1.676 18.369 -2.840 1.00 0.00 O ATOM 0 H GLY A 7 -2.571 20.732 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.713 18.924 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.438 19.204 -3.904 1.00 0.00 H new ATOM 73 N PHE A 8 -3.316 16.835 -3.067 1.00 0.00 N ATOM 74 CA PHE A 8 -2.456 15.649 -3.175 1.00 0.00 C ATOM 75 C PHE A 8 -1.848 15.488 -4.585 1.00 0.00 C ATOM 76 O PHE A 8 -2.278 16.133 -5.546 1.00 0.00 O ATOM 77 CB PHE A 8 -3.265 14.405 -2.763 1.00 0.00 C ATOM 78 CG PHE A 8 -3.672 14.379 -1.301 1.00 0.00 C ATOM 79 CD1 PHE A 8 -2.750 13.954 -0.323 1.00 0.00 C ATOM 80 CD2 PHE A 8 -4.968 14.771 -0.912 1.00 0.00 C ATOM 81 CE1 PHE A 8 -3.121 13.921 1.033 1.00 0.00 C ATOM 82 CE2 PHE A 8 -5.337 14.740 0.446 1.00 0.00 C ATOM 83 CZ PHE A 8 -4.415 14.315 1.418 1.00 0.00 C ATOM 0 H PHE A 8 -4.310 16.609 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.610 15.773 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.163 14.350 -3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.675 13.514 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.755 13.653 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.679 15.096 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.412 13.593 1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.330 15.043 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.700 14.291 2.459 1.00 0.00 H new ATOM 93 N LEU A 9 -0.862 14.591 -4.707 1.00 0.00 N ATOM 94 CA LEU A 9 -0.136 14.277 -5.943 1.00 0.00 C ATOM 95 C LEU A 9 0.226 12.782 -5.981 1.00 0.00 C ATOM 96 O LEU A 9 0.591 12.196 -4.960 1.00 0.00 O ATOM 97 CB LEU A 9 1.108 15.188 -6.022 1.00 0.00 C ATOM 98 CG LEU A 9 1.977 15.017 -7.287 1.00 0.00 C ATOM 99 CD1 LEU A 9 1.210 15.358 -8.575 1.00 0.00 C ATOM 100 CD2 LEU A 9 3.215 15.920 -7.180 1.00 0.00 C ATOM 0 H LEU A 9 -0.535 14.041 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.759 14.468 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.781 16.226 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.730 15.001 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 9 2.268 13.968 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.865 15.222 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.346 14.700 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.874 16.394 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.830 15.801 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.900 16.960 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.794 15.641 -6.300 1.00 0.00 H new ATOM 112 N ASP A 10 0.117 12.169 -7.160 1.00 0.00 N ATOM 113 CA ASP A 10 0.343 10.737 -7.397 1.00 0.00 C ATOM 114 C ASP A 10 1.697 10.455 -8.069 1.00 0.00 C ATOM 115 O ASP A 10 2.248 11.278 -8.804 1.00 0.00 O ATOM 116 CB ASP A 10 -0.801 10.174 -8.257 1.00 0.00 C ATOM 117 CG ASP A 10 -2.156 10.215 -7.538 1.00 0.00 C ATOM 118 OD1 ASP A 10 -2.364 9.407 -6.602 1.00 0.00 O ATOM 119 OD2 ASP A 10 -3.013 11.044 -7.928 1.00 0.00 O ATOM 0 H ASP A 10 -0.140 12.672 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 10 0.363 10.242 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.868 10.744 -9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.571 9.145 -8.532 1.00 0.00 H new ATOM 124 N LYS A 11 2.210 9.246 -7.832 1.00 0.00 N ATOM 125 CA LYS A 11 3.370 8.668 -8.519 1.00 0.00 C ATOM 126 C LYS A 11 3.158 8.514 -10.049 1.00 0.00 C ATOM 127 O LYS A 11 2.009 8.498 -10.515 1.00 0.00 O ATOM 128 CB LYS A 11 3.686 7.327 -7.823 1.00 0.00 C ATOM 129 CG LYS A 11 4.557 7.522 -6.565 1.00 0.00 C ATOM 130 CD LYS A 11 5.776 6.587 -6.578 1.00 0.00 C ATOM 131 CE LYS A 11 6.608 6.678 -5.289 1.00 0.00 C ATOM 132 NZ LYS A 11 7.334 7.969 -5.156 1.00 0.00 N ATOM 0 H LYS A 11 1.816 8.619 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 11 4.221 9.344 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.754 6.833 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.201 6.668 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.891 8.558 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.960 7.331 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.439 5.560 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.408 6.833 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.951 6.547 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.327 5.859 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.980 7.922 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.880 8.151 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.650 8.739 -5.010 1.00 0.00 H new ATOM 146 N PRO A 12 4.252 8.411 -10.838 1.00 0.00 N ATOM 147 CA PRO A 12 4.197 8.376 -12.297 1.00 0.00 C ATOM 148 C PRO A 12 3.562 7.087 -12.831 1.00 0.00 C ATOM 149 O PRO A 12 3.329 6.122 -12.099 1.00 0.00 O ATOM 150 CB PRO A 12 5.638 8.558 -12.781 1.00 0.00 C ATOM 151 CG PRO A 12 6.451 7.960 -11.638 1.00 0.00 C ATOM 152 CD PRO A 12 5.641 8.334 -10.396 1.00 0.00 C ATOM 0 HA PRO A 12 3.555 9.170 -12.678 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.818 8.038 -13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.881 9.608 -12.945 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.555 6.880 -11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.458 8.375 -11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.761 7.587 -9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.974 9.287 -9.984 1.00 0.00 H new ATOM 160 N THR A 13 3.284 7.106 -14.137 1.00 0.00 N ATOM 161 CA THR A 13 2.473 6.131 -14.874 1.00 0.00 C ATOM 162 C THR A 13 2.566 6.386 -16.379 1.00 0.00 C ATOM 163 O THR A 13 3.253 7.302 -16.837 1.00 0.00 O ATOM 164 CB THR A 13 1.019 6.173 -14.355 1.00 0.00 C ATOM 165 OG1 THR A 13 0.272 5.095 -14.881 1.00 0.00 O ATOM 166 CG2 THR A 13 0.306 7.477 -14.716 1.00 0.00 C ATOM 0 H THR A 13 3.639 7.845 -14.744 1.00 0.00 H new ATOM 0 HA THR A 13 2.857 5.125 -14.703 1.00 0.00 H new ATOM 0 HB THR A 13 1.080 6.101 -13.269 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.646 5.136 -14.540 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.712 7.454 -14.328 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.843 8.319 -14.278 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.279 7.589 -15.800 1.00 0.00 H new ATOM 174 N LEU A 14 1.831 5.577 -17.135 1.00 0.00 N ATOM 175 CA LEU A 14 1.613 5.672 -18.577 1.00 0.00 C ATOM 176 C LEU A 14 0.196 6.199 -18.882 1.00 0.00 C ATOM 177 O LEU A 14 -0.088 6.592 -20.016 1.00 0.00 O ATOM 178 CB LEU A 14 1.810 4.263 -19.158 1.00 0.00 C ATOM 179 CG LEU A 14 3.187 3.636 -18.822 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.984 2.151 -18.511 1.00 0.00 C ATOM 181 CD2 LEU A 14 4.183 3.834 -19.972 1.00 0.00 C ATOM 0 H LEU A 14 1.337 4.782 -16.730 1.00 0.00 H new ATOM 0 HA LEU A 14 2.316 6.373 -19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.022 3.611 -18.781 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.696 4.307 -20.241 1.00 0.00 H new ATOM 0 HG LEU A 14 3.612 4.134 -17.951 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.945 1.695 -18.272 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.311 2.046 -17.660 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.552 1.653 -19.379 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.139 3.384 -19.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.796 3.360 -20.874 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.322 4.900 -20.154 1.00 0.00 H new ATOM 193 N LEU A 15 -0.684 6.202 -17.869 1.00 0.00 N ATOM 194 CA LEU A 15 -2.067 6.691 -17.942 1.00 0.00 C ATOM 195 C LEU A 15 -2.166 8.225 -17.831 1.00 0.00 C ATOM 196 O LEU A 15 -1.178 8.959 -17.863 1.00 0.00 O ATOM 197 CB LEU A 15 -2.947 5.998 -16.872 1.00 0.00 C ATOM 198 CG LEU A 15 -2.808 4.467 -16.736 1.00 0.00 C ATOM 199 CD1 LEU A 15 -3.840 3.963 -15.717 1.00 0.00 C ATOM 200 CD2 LEU A 15 -2.995 3.736 -18.073 1.00 0.00 C ATOM 0 H LEU A 15 -0.442 5.851 -16.943 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.443 6.429 -18.931 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.720 6.446 -15.905 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.990 6.225 -17.092 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.794 4.252 -16.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.751 2.882 -15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.660 4.436 -14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.844 4.213 -16.062 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.887 2.662 -17.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.989 3.948 -18.468 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.242 4.078 -18.783 1.00 0.00 H new ATOM 212 N SER A 16 -3.397 8.700 -17.678 1.00 0.00 N ATOM 213 CA SER A 16 -3.810 10.096 -17.625 1.00 0.00 C ATOM 214 C SER A 16 -4.374 10.463 -16.239 1.00 0.00 C ATOM 215 O SER A 16 -4.846 9.581 -15.508 1.00 0.00 O ATOM 216 CB SER A 16 -4.887 10.276 -18.699 1.00 0.00 C ATOM 217 OG SER A 16 -4.310 10.447 -19.986 1.00 0.00 O ATOM 0 H SER A 16 -4.193 8.070 -17.580 1.00 0.00 H new ATOM 0 HA SER A 16 -2.956 10.751 -17.801 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.545 9.407 -18.706 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.504 11.141 -18.457 1.00 0.00 H new ATOM 0 HG SER A 16 -5.021 10.558 -20.651 1.00 0.00 H new ATOM 223 N PRO A 17 -4.406 11.764 -15.886 1.00 0.00 N ATOM 224 CA PRO A 17 -4.925 12.252 -14.608 1.00 0.00 C ATOM 225 C PRO A 17 -6.403 11.905 -14.390 1.00 0.00 C ATOM 226 O PRO A 17 -6.826 11.733 -13.251 1.00 0.00 O ATOM 227 CB PRO A 17 -4.683 13.766 -14.623 1.00 0.00 C ATOM 228 CG PRO A 17 -4.656 14.112 -16.112 1.00 0.00 C ATOM 229 CD PRO A 17 -4.013 12.879 -16.733 1.00 0.00 C ATOM 0 HA PRO A 17 -4.417 11.770 -13.773 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.475 14.304 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.744 14.027 -14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.658 14.287 -16.505 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.075 15.013 -16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.355 12.733 -17.757 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.928 12.979 -16.770 1.00 0.00 H new ATOM 237 N GLU A 18 -7.171 11.738 -15.471 1.00 0.00 N ATOM 238 CA GLU A 18 -8.584 11.337 -15.428 1.00 0.00 C ATOM 239 C GLU A 18 -8.801 9.812 -15.321 1.00 0.00 C ATOM 240 O GLU A 18 -9.914 9.380 -15.028 1.00 0.00 O ATOM 241 CB GLU A 18 -9.339 11.940 -16.626 1.00 0.00 C ATOM 242 CG GLU A 18 -8.841 11.455 -17.996 1.00 0.00 C ATOM 243 CD GLU A 18 -9.650 12.103 -19.130 1.00 0.00 C ATOM 244 OE1 GLU A 18 -10.699 11.545 -19.531 1.00 0.00 O ATOM 245 OE2 GLU A 18 -9.238 13.175 -19.634 1.00 0.00 O ATOM 0 H GLU A 18 -6.823 11.880 -16.419 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.998 11.741 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.398 11.700 -16.531 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.254 13.026 -16.585 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.785 11.698 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.926 10.370 -18.056 1.00 0.00 H new ATOM 252 N GLU A 19 -7.760 8.993 -15.515 1.00 0.00 N ATOM 253 CA GLU A 19 -7.810 7.532 -15.373 1.00 0.00 C ATOM 254 C GLU A 19 -7.540 7.105 -13.926 1.00 0.00 C ATOM 255 O GLU A 19 -8.311 6.356 -13.330 1.00 0.00 O ATOM 256 CB GLU A 19 -6.757 6.876 -16.279 1.00 0.00 C ATOM 257 CG GLU A 19 -7.141 6.821 -17.760 1.00 0.00 C ATOM 258 CD GLU A 19 -8.346 5.902 -18.026 1.00 0.00 C ATOM 259 OE1 GLU A 19 -8.205 4.663 -17.900 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.433 6.410 -18.386 1.00 0.00 O ATOM 0 H GLU A 19 -6.837 9.336 -15.782 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.810 7.209 -15.661 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.819 7.422 -16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.574 5.861 -15.926 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.372 7.827 -18.109 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.287 6.471 -18.340 1.00 0.00 H new ATOM 267 N LEU A 20 -6.444 7.612 -13.359 1.00 0.00 N ATOM 268 CA LEU A 20 -5.980 7.343 -11.990 1.00 0.00 C ATOM 269 C LEU A 20 -7.042 7.740 -10.962 1.00 0.00 C ATOM 270 O LEU A 20 -7.422 6.948 -10.098 1.00 0.00 O ATOM 271 CB LEU A 20 -4.703 8.162 -11.740 1.00 0.00 C ATOM 272 CG LEU A 20 -3.536 7.841 -12.696 1.00 0.00 C ATOM 273 CD1 LEU A 20 -2.722 9.123 -12.886 1.00 0.00 C ATOM 274 CD2 LEU A 20 -2.683 6.686 -12.154 1.00 0.00 C ATOM 0 H LEU A 20 -5.826 8.250 -13.861 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.784 6.276 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.944 9.222 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.373 7.992 -10.715 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.913 7.507 -13.663 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.887 8.928 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.358 9.898 -13.313 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.340 9.458 -11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.867 6.480 -12.847 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.273 6.961 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.302 5.795 -12.047 1.00 0.00 H new ATOM 286 N LYS A 21 -7.564 8.964 -11.098 1.00 0.00 N ATOM 287 CA LYS A 21 -8.688 9.443 -10.282 1.00 0.00 C ATOM 288 C LYS A 21 -9.937 8.556 -10.436 1.00 0.00 C ATOM 289 O LYS A 21 -10.576 8.238 -9.432 1.00 0.00 O ATOM 290 CB LYS A 21 -9.002 10.914 -10.614 1.00 0.00 C ATOM 291 CG LYS A 21 -8.239 11.936 -9.752 1.00 0.00 C ATOM 292 CD LYS A 21 -6.713 11.768 -9.737 1.00 0.00 C ATOM 293 CE LYS A 21 -6.068 13.007 -9.101 1.00 0.00 C ATOM 294 NZ LYS A 21 -4.587 12.972 -9.187 1.00 0.00 N ATOM 0 H LYS A 21 -7.222 9.648 -11.773 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.388 9.380 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.768 11.095 -11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.072 11.081 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.475 12.938 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.606 11.870 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.440 10.874 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.341 11.632 -10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.438 13.903 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.368 13.075 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.197 13.865 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.225 12.179 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.300 12.848 -10.179 1.00 0.00 H new ATOM 308 N ALA A 22 -10.261 8.093 -11.650 1.00 0.00 N ATOM 309 CA ALA A 22 -11.444 7.253 -11.894 1.00 0.00 C ATOM 310 C ALA A 22 -11.298 5.832 -11.319 1.00 0.00 C ATOM 311 O ALA A 22 -12.261 5.295 -10.769 1.00 0.00 O ATOM 312 CB ALA A 22 -11.749 7.231 -13.396 1.00 0.00 C ATOM 0 H ALA A 22 -9.714 8.288 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.287 7.694 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.625 6.609 -13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.945 8.246 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.894 6.822 -13.935 1.00 0.00 H new ATOM 318 N ALA A 23 -10.092 5.254 -11.369 1.00 0.00 N ATOM 319 CA ALA A 23 -9.771 3.958 -10.764 1.00 0.00 C ATOM 320 C ALA A 23 -9.965 3.946 -9.238 1.00 0.00 C ATOM 321 O ALA A 23 -10.318 2.918 -8.664 1.00 0.00 O ATOM 322 CB ALA A 23 -8.321 3.608 -11.119 1.00 0.00 C ATOM 0 H ALA A 23 -9.296 5.684 -11.841 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.460 3.214 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.061 2.646 -10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.215 3.551 -12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.655 4.378 -10.729 1.00 0.00 H new ATOM 328 N SER A 24 -9.761 5.091 -8.584 1.00 0.00 N ATOM 329 CA SER A 24 -9.947 5.256 -7.139 1.00 0.00 C ATOM 330 C SER A 24 -11.400 5.604 -6.778 1.00 0.00 C ATOM 331 O SER A 24 -12.071 4.852 -6.064 1.00 0.00 O ATOM 332 CB SER A 24 -8.952 6.309 -6.633 1.00 0.00 C ATOM 333 OG SER A 24 -8.995 6.411 -5.218 1.00 0.00 O ATOM 0 H SER A 24 -9.457 5.945 -9.051 1.00 0.00 H new ATOM 0 HA SER A 24 -9.746 4.308 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.944 6.044 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.183 7.277 -7.078 1.00 0.00 H new ATOM 0 HG SER A 24 -8.351 7.087 -4.919 1.00 0.00 H new ATOM 339 N ARG A 25 -11.922 6.710 -7.325 1.00 0.00 N ATOM 340 CA ARG A 25 -13.244 7.262 -7.027 1.00 0.00 C ATOM 341 C ARG A 25 -14.419 6.405 -7.527 1.00 0.00 C ATOM 342 O ARG A 25 -15.547 6.585 -7.061 1.00 0.00 O ATOM 343 CB ARG A 25 -13.314 8.672 -7.626 1.00 0.00 C ATOM 344 CG ARG A 25 -12.378 9.701 -6.971 1.00 0.00 C ATOM 345 CD ARG A 25 -12.569 9.881 -5.461 1.00 0.00 C ATOM 346 NE ARG A 25 -13.944 10.296 -5.120 1.00 0.00 N ATOM 347 CZ ARG A 25 -14.538 10.175 -3.937 1.00 0.00 C ATOM 348 NH1 ARG A 25 -13.920 9.666 -2.891 1.00 0.00 N ATOM 349 NH2 ARG A 25 -15.782 10.575 -3.790 1.00 0.00 N ATOM 0 H ARG A 25 -11.413 7.264 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.355 7.280 -5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.077 8.612 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.339 9.034 -7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.347 9.403 -7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.525 10.665 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.337 8.945 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.864 10.627 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.494 10.718 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.954 9.349 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.408 9.589 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.286 10.976 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.243 10.485 -2.885 1.00 0.00 H new ATOM 363 N GLY A 26 -14.166 5.444 -8.423 1.00 0.00 N ATOM 364 CA GLY A 26 -15.149 4.462 -8.903 1.00 0.00 C ATOM 365 C GLY A 26 -15.573 3.434 -7.847 1.00 0.00 C ATOM 366 O GLY A 26 -16.614 2.799 -8.013 1.00 0.00 O ATOM 0 H GLY A 26 -13.246 5.323 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.034 4.992 -9.255 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.731 3.935 -9.761 1.00 0.00 H new ATOM 370 N ASN A 27 -14.804 3.288 -6.759 1.00 0.00 N ATOM 371 CA ASN A 27 -15.118 2.399 -5.631 1.00 0.00 C ATOM 372 C ASN A 27 -14.952 3.069 -4.253 1.00 0.00 C ATOM 373 O ASN A 27 -15.821 2.915 -3.392 1.00 0.00 O ATOM 374 CB ASN A 27 -14.254 1.131 -5.725 1.00 0.00 C ATOM 375 CG ASN A 27 -14.655 0.245 -6.901 1.00 0.00 C ATOM 376 OD1 ASN A 27 -14.119 0.350 -7.999 1.00 0.00 O ATOM 377 ND2 ASN A 27 -15.619 -0.639 -6.705 1.00 0.00 N ATOM 0 H ASN A 27 -13.928 3.795 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.174 2.142 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.206 1.414 -5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.342 0.564 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.923 -1.241 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.059 -0.719 -5.788 1.00 0.00 H new ATOM 384 N GLY A 28 -13.846 3.793 -4.023 1.00 0.00 N ATOM 385 CA GLY A 28 -13.539 4.454 -2.739 1.00 0.00 C ATOM 386 C GLY A 28 -12.909 3.515 -1.701 1.00 0.00 C ATOM 387 O GLY A 28 -12.766 3.883 -0.535 1.00 0.00 O ATOM 0 H GLY A 28 -13.128 3.940 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.861 5.288 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.457 4.874 -2.327 1.00 0.00 H new ATOM 391 N GLU A 29 -12.547 2.306 -2.132 1.00 0.00 N ATOM 392 CA GLU A 29 -11.837 1.280 -1.367 1.00 0.00 C ATOM 393 C GLU A 29 -10.315 1.477 -1.439 1.00 0.00 C ATOM 394 O GLU A 29 -9.844 2.417 -2.075 1.00 0.00 O ATOM 395 CB GLU A 29 -12.217 -0.097 -1.938 1.00 0.00 C ATOM 396 CG GLU A 29 -13.056 -0.929 -0.965 1.00 0.00 C ATOM 397 CD GLU A 29 -12.259 -1.589 0.171 1.00 0.00 C ATOM 398 OE1 GLU A 29 -11.480 -0.889 0.853 1.00 0.00 O ATOM 399 OE2 GLU A 29 -12.444 -2.807 0.405 1.00 0.00 O ATOM 0 H GLU A 29 -12.754 1.998 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.125 1.353 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.773 0.040 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.309 -0.645 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.822 -0.288 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.573 -1.707 -1.527 1.00 0.00 H new ATOM 406 N TYR A 30 -9.547 0.574 -0.819 1.00 0.00 N ATOM 407 CA TYR A 30 -8.079 0.598 -0.775 1.00 0.00 C ATOM 408 C TYR A 30 -7.456 -0.685 -0.199 1.00 0.00 C ATOM 409 O TYR A 30 -8.017 -1.343 0.681 1.00 0.00 O ATOM 410 CB TYR A 30 -7.589 1.807 0.032 1.00 0.00 C ATOM 411 CG TYR A 30 -7.897 1.698 1.516 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.215 1.878 1.985 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.877 1.318 2.411 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.503 1.724 3.355 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.162 1.147 3.779 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.474 1.363 4.258 1.00 0.00 C ATOM 417 OH TYR A 30 -8.744 1.206 5.585 1.00 0.00 O ATOM 0 H TYR A 30 -9.943 -0.221 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.751 0.672 -1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.513 1.914 -0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.051 2.712 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.004 2.134 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.873 1.157 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.508 1.881 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.379 0.851 4.462 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.923 0.956 6.059 1.00 0.00 H new ATOM 427 N ALA A 31 -6.251 -1.002 -0.670 1.00 0.00 N ATOM 428 CA ALA A 31 -5.426 -2.120 -0.220 1.00 0.00 C ATOM 429 C ALA A 31 -3.935 -1.814 -0.427 1.00 0.00 C ATOM 430 O ALA A 31 -3.567 -1.004 -1.279 1.00 0.00 O ATOM 431 CB ALA A 31 -5.865 -3.386 -0.972 1.00 0.00 C ATOM 0 H ALA A 31 -5.803 -0.461 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.564 -2.281 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.258 -4.231 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.914 -3.590 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.734 -3.236 -2.044 1.00 0.00 H new ATOM 437 N TRP A 32 -3.082 -2.487 0.346 1.00 0.00 N ATOM 438 CA TRP A 32 -1.625 -2.457 0.198 1.00 0.00 C ATOM 439 C TRP A 32 -1.101 -3.840 -0.199 1.00 0.00 C ATOM 440 O TRP A 32 -1.644 -4.867 0.216 1.00 0.00 O ATOM 441 CB TRP A 32 -0.964 -1.968 1.495 1.00 0.00 C ATOM 442 CG TRP A 32 -1.074 -0.499 1.765 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.214 0.170 2.047 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.012 0.509 1.758 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.942 1.512 2.202 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.598 1.776 2.064 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.386 0.487 1.531 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.154 2.955 2.141 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.148 1.669 1.616 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.538 2.898 1.922 1.00 0.00 C ATOM 0 H TRP A 32 -3.393 -3.084 1.113 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.368 -1.756 -0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.407 -2.507 2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.092 -2.236 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.192 -0.280 2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.649 2.222 2.395 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.873 -0.446 1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.326 3.896 2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.214 1.630 1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.134 3.796 1.988 1.00 0.00 H new ATOM 461 N TYR A 33 -0.011 -3.861 -0.966 1.00 0.00 N ATOM 462 CA TYR A 33 0.626 -5.074 -1.488 1.00 0.00 C ATOM 463 C TYR A 33 2.159 -4.997 -1.410 1.00 0.00 C ATOM 464 O TYR A 33 2.735 -3.911 -1.366 1.00 0.00 O ATOM 465 CB TYR A 33 0.194 -5.305 -2.947 1.00 0.00 C ATOM 466 CG TYR A 33 -1.271 -5.626 -3.177 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.236 -4.600 -3.163 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.666 -6.950 -3.454 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.594 -4.900 -3.377 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.023 -7.256 -3.676 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.994 -6.231 -3.627 1.00 0.00 C ATOM 472 OH TYR A 33 -5.311 -6.513 -3.830 1.00 0.00 O ATOM 0 H TYR A 33 0.470 -3.008 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 33 0.302 -5.909 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.442 -4.412 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.790 -6.122 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.932 -3.579 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.925 -7.734 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.331 -4.111 -3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.321 -8.273 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.419 -7.474 -3.990 1.00 0.00 H new ATOM 482 N TYR A 34 2.823 -6.153 -1.453 1.00 0.00 N ATOM 483 CA TYR A 34 4.283 -6.302 -1.506 1.00 0.00 C ATOM 484 C TYR A 34 4.691 -7.438 -2.464 1.00 0.00 C ATOM 485 O TYR A 34 3.937 -8.400 -2.630 1.00 0.00 O ATOM 486 CB TYR A 34 4.833 -6.535 -0.090 1.00 0.00 C ATOM 487 CG TYR A 34 4.442 -7.849 0.569 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.207 -7.969 1.237 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.324 -8.947 0.532 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.852 -9.178 1.863 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.980 -10.159 1.161 1.00 0.00 C ATOM 492 CZ TYR A 34 3.740 -10.277 1.831 1.00 0.00 C ATOM 493 OH TYR A 34 3.399 -11.444 2.446 1.00 0.00 O ATOM 0 H TYR A 34 2.340 -7.051 -1.452 1.00 0.00 H new ATOM 0 HA TYR A 34 4.717 -5.382 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.921 -6.481 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.497 -5.717 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.529 -7.129 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.270 -8.859 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.901 -9.266 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.661 -10.996 1.132 1.00 0.00 H new ATOM 0 HH TYR A 34 4.119 -12.098 2.329 1.00 0.00 H new ATOM 503 N GLU A 35 5.855 -7.339 -3.115 1.00 0.00 N ATOM 504 CA GLU A 35 6.318 -8.375 -4.052 1.00 0.00 C ATOM 505 C GLU A 35 6.924 -9.580 -3.316 1.00 0.00 C ATOM 506 O GLU A 35 7.992 -9.476 -2.710 1.00 0.00 O ATOM 507 CB GLU A 35 7.342 -7.833 -5.065 1.00 0.00 C ATOM 508 CG GLU A 35 6.727 -6.870 -6.083 1.00 0.00 C ATOM 509 CD GLU A 35 7.599 -6.770 -7.345 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.625 -6.050 -7.327 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.274 -7.429 -8.362 1.00 0.00 O ATOM 0 H GLU A 35 6.496 -6.552 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 35 5.431 -8.699 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.141 -7.322 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.798 -8.669 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.728 -7.211 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.616 -5.883 -5.634 1.00 0.00 H new ATOM 518 N GLY A 36 6.256 -10.733 -3.406 1.00 0.00 N ATOM 519 CA GLY A 36 6.775 -12.039 -2.981 1.00 0.00 C ATOM 520 C GLY A 36 7.353 -12.832 -4.159 1.00 0.00 C ATOM 521 O GLY A 36 7.598 -12.286 -5.238 1.00 0.00 O ATOM 0 H GLY A 36 5.312 -10.787 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.548 -11.895 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.975 -12.613 -2.513 1.00 0.00 H new ATOM 525 N ARG A 37 7.550 -14.141 -3.959 1.00 0.00 N ATOM 526 CA ARG A 37 8.142 -15.057 -4.952 1.00 0.00 C ATOM 527 C ARG A 37 7.361 -15.101 -6.280 1.00 0.00 C ATOM 528 O ARG A 37 7.960 -15.069 -7.357 1.00 0.00 O ATOM 529 CB ARG A 37 8.219 -16.463 -4.328 1.00 0.00 C ATOM 530 CG ARG A 37 9.014 -17.460 -5.189 1.00 0.00 C ATOM 531 CD ARG A 37 8.861 -18.888 -4.650 1.00 0.00 C ATOM 532 NE ARG A 37 9.605 -19.862 -5.470 1.00 0.00 N ATOM 533 CZ ARG A 37 9.223 -20.391 -6.628 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.095 -20.056 -7.223 1.00 0.00 N ATOM 535 NH2 ARG A 37 9.990 -21.283 -7.218 1.00 0.00 N ATOM 0 H ARG A 37 7.299 -14.606 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 37 9.136 -14.686 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.681 -16.393 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.209 -16.844 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.664 -17.416 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.068 -17.181 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.219 -18.929 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.805 -19.159 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 37 10.511 -20.162 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.478 -19.366 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.840 -20.487 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.871 -21.564 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.704 -21.694 -8.107 1.00 0.00 H new ATOM 549 N ASN A 38 6.027 -15.163 -6.198 1.00 0.00 N ATOM 550 CA ASN A 38 5.135 -15.434 -7.338 1.00 0.00 C ATOM 551 C ASN A 38 4.372 -14.190 -7.861 1.00 0.00 C ATOM 552 O ASN A 38 3.673 -14.285 -8.874 1.00 0.00 O ATOM 553 CB ASN A 38 4.171 -16.575 -6.948 1.00 0.00 C ATOM 554 CG ASN A 38 4.822 -17.955 -6.816 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.023 -18.112 -6.622 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.037 -19.012 -6.915 1.00 0.00 N ATOM 0 H ASN A 38 5.525 -15.024 -5.321 1.00 0.00 H new ATOM 0 HA ASN A 38 5.759 -15.736 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.696 -16.321 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.380 -16.633 -7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.430 -19.949 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.037 -18.891 -7.076 1.00 0.00 H new ATOM 563 N GLY A 39 4.506 -13.028 -7.205 1.00 0.00 N ATOM 564 CA GLY A 39 3.878 -11.752 -7.583 1.00 0.00 C ATOM 565 C GLY A 39 3.548 -10.863 -6.383 1.00 0.00 C ATOM 566 O GLY A 39 4.050 -11.082 -5.280 1.00 0.00 O ATOM 0 H GLY A 39 5.077 -12.948 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.545 -11.211 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.963 -11.956 -8.138 1.00 0.00 H new ATOM 570 N TRP A 40 2.705 -9.852 -6.600 1.00 0.00 N ATOM 571 CA TRP A 40 2.159 -8.996 -5.542 1.00 0.00 C ATOM 572 C TRP A 40 1.179 -9.762 -4.635 1.00 0.00 C ATOM 573 O TRP A 40 0.243 -10.396 -5.127 1.00 0.00 O ATOM 574 CB TRP A 40 1.448 -7.795 -6.182 1.00 0.00 C ATOM 575 CG TRP A 40 2.318 -6.891 -6.996 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.422 -6.912 -8.342 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.214 -5.828 -6.543 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.320 -5.949 -8.754 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.826 -5.234 -7.688 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.567 -5.302 -5.282 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.730 -4.165 -7.589 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.477 -4.233 -5.172 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.054 -3.658 -6.319 1.00 0.00 C ATOM 0 H TRP A 40 2.376 -9.600 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 40 2.986 -8.656 -4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.645 -8.167 -6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.982 -7.207 -5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.884 -7.581 -8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.578 -5.786 -9.727 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.133 -5.725 -4.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.171 -3.738 -8.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.735 -3.850 -4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.742 -2.831 -6.224 1.00 0.00 H new ATOM 594 N TRP A 41 1.354 -9.640 -3.315 1.00 0.00 N ATOM 595 CA TRP A 41 0.493 -10.244 -2.288 1.00 0.00 C ATOM 596 C TRP A 41 0.043 -9.195 -1.262 1.00 0.00 C ATOM 597 O TRP A 41 0.794 -8.277 -0.932 1.00 0.00 O ATOM 598 CB TRP A 41 1.223 -11.431 -1.640 1.00 0.00 C ATOM 599 CG TRP A 41 1.594 -12.504 -2.618 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.846 -12.936 -2.888 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.720 -13.224 -3.540 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.810 -13.840 -3.932 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.529 -14.015 -4.408 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.675 -13.253 -3.760 1.00 0.00 C ATOM 605 CZ2 TRP A 41 0.988 -14.753 -5.472 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.229 -14.001 -4.813 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.403 -14.744 -5.675 1.00 0.00 C ATOM 0 H TRP A 41 2.123 -9.101 -2.917 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.417 -10.626 -2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.126 -11.069 -1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.588 -11.860 -0.864 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.738 -12.622 -2.367 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.630 -14.319 -4.304 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.327 -12.691 -3.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.632 -15.321 -6.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.299 -14.005 -4.961 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.836 -15.306 -6.490 1.00 0.00 H new ATOM 618 N GLN A 42 -1.210 -9.296 -0.814 1.00 0.00 N ATOM 619 CA GLN A 42 -1.880 -8.268 -0.012 1.00 0.00 C ATOM 620 C GLN A 42 -1.495 -8.358 1.476 1.00 0.00 C ATOM 621 O GLN A 42 -1.383 -9.450 2.038 1.00 0.00 O ATOM 622 CB GLN A 42 -3.401 -8.406 -0.209 1.00 0.00 C ATOM 623 CG GLN A 42 -4.168 -7.125 0.163 1.00 0.00 C ATOM 624 CD GLN A 42 -5.689 -7.286 0.067 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.229 -8.037 -0.738 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.449 -6.595 0.894 1.00 0.00 N ATOM 0 H GLN A 42 -1.798 -10.108 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.555 -7.284 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.607 -8.658 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.768 -9.233 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.903 -6.832 1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.852 -6.315 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.022 -5.964 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.464 -6.692 0.855 1.00 0.00 H new ATOM 635 N TYR A 43 -1.335 -7.204 2.131 1.00 0.00 N ATOM 636 CA TYR A 43 -1.186 -7.099 3.590 1.00 0.00 C ATOM 637 C TYR A 43 -2.482 -7.446 4.356 1.00 0.00 C ATOM 638 O TYR A 43 -3.590 -7.369 3.817 1.00 0.00 O ATOM 639 CB TYR A 43 -0.745 -5.671 3.949 1.00 0.00 C ATOM 640 CG TYR A 43 0.722 -5.384 3.720 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.662 -5.696 4.719 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.147 -4.777 2.525 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.021 -5.394 4.525 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.502 -4.469 2.320 1.00 0.00 C ATOM 645 CZ TYR A 43 3.443 -4.782 3.323 1.00 0.00 C ATOM 646 OH TYR A 43 4.759 -4.517 3.123 1.00 0.00 O ATOM 0 H TYR A 43 -1.305 -6.301 1.657 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.434 -7.828 3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.335 -4.966 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.977 -5.487 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.339 -6.168 5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.424 -4.545 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.742 -5.629 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.821 -3.997 1.402 1.00 0.00 H new ATOM 0 HH TYR A 43 4.908 -3.550 3.169 1.00 0.00 H new ATOM 656 N ASP A 44 -2.348 -7.776 5.646 1.00 0.00 N ATOM 657 CA ASP A 44 -3.481 -7.912 6.570 1.00 0.00 C ATOM 658 C ASP A 44 -4.161 -6.554 6.794 1.00 0.00 C ATOM 659 O ASP A 44 -3.492 -5.524 6.837 1.00 0.00 O ATOM 660 CB ASP A 44 -3.004 -8.430 7.933 1.00 0.00 C ATOM 661 CG ASP A 44 -2.539 -9.892 7.915 1.00 0.00 C ATOM 662 OD1 ASP A 44 -1.388 -10.164 7.502 1.00 0.00 O ATOM 663 OD2 ASP A 44 -3.336 -10.754 8.356 1.00 0.00 O ATOM 0 H ASP A 44 -1.444 -7.958 6.082 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.184 -8.615 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.184 -7.803 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.815 -8.326 8.654 1.00 0.00 H new ATOM 668 N GLU A 45 -5.473 -6.558 7.038 1.00 0.00 N ATOM 669 CA GLU A 45 -6.239 -5.344 7.376 1.00 0.00 C ATOM 670 C GLU A 45 -5.813 -4.714 8.719 1.00 0.00 C ATOM 671 O GLU A 45 -5.999 -3.516 8.940 1.00 0.00 O ATOM 672 CB GLU A 45 -7.750 -5.633 7.338 1.00 0.00 C ATOM 673 CG GLU A 45 -8.215 -6.693 8.344 1.00 0.00 C ATOM 674 CD GLU A 45 -9.735 -6.899 8.268 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.196 -7.730 7.451 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.477 -6.242 9.035 1.00 0.00 O ATOM 0 H GLU A 45 -6.042 -7.404 7.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.009 -4.599 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.290 -4.706 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.021 -5.959 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.707 -7.636 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.936 -6.388 9.353 1.00 0.00 H new ATOM 683 N ARG A 46 -5.172 -5.507 9.589 1.00 0.00 N ATOM 684 CA ARG A 46 -4.500 -5.065 10.821 1.00 0.00 C ATOM 685 C ARG A 46 -3.323 -4.124 10.523 1.00 0.00 C ATOM 686 O ARG A 46 -3.075 -3.159 11.251 1.00 0.00 O ATOM 687 CB ARG A 46 -3.939 -6.300 11.551 1.00 0.00 C ATOM 688 CG ARG A 46 -4.966 -7.091 12.366 1.00 0.00 C ATOM 689 CD ARG A 46 -6.135 -7.751 11.619 1.00 0.00 C ATOM 690 NE ARG A 46 -5.701 -8.821 10.698 1.00 0.00 N ATOM 691 CZ ARG A 46 -6.505 -9.670 10.063 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.813 -9.636 10.214 1.00 0.00 N ATOM 693 NH2 ARG A 46 -6.006 -10.577 9.253 1.00 0.00 N ATOM 0 H ARG A 46 -5.104 -6.515 9.449 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.233 -4.533 11.427 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.491 -6.967 10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.139 -5.977 12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.432 -7.873 12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.386 -6.419 13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.835 -8.166 12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.674 -6.990 11.055 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.699 -8.917 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.237 -8.944 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.402 -10.301 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.998 -10.633 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.627 -11.225 8.769 1.00 0.00 H new ATOM 707 N THR A 47 -2.592 -4.458 9.458 1.00 0.00 N ATOM 708 CA THR A 47 -1.306 -3.878 9.045 1.00 0.00 C ATOM 709 C THR A 47 -1.465 -2.775 8.011 1.00 0.00 C ATOM 710 O THR A 47 -0.925 -1.690 8.195 1.00 0.00 O ATOM 711 CB THR A 47 -0.400 -5.001 8.526 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.290 -5.972 9.546 1.00 0.00 O ATOM 713 CG2 THR A 47 1.001 -4.501 8.187 1.00 0.00 C ATOM 0 H THR A 47 -2.900 -5.189 8.817 1.00 0.00 H new ATOM 0 HA THR A 47 -0.848 -3.405 9.914 1.00 0.00 H new ATOM 0 HB THR A 47 -0.840 -5.406 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.284 -6.705 9.240 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.606 -5.332 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.937 -3.734 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.463 -4.079 9.080 1.00 0.00 H new ATOM 721 N SER A 48 -2.226 -2.999 6.942 1.00 0.00 N ATOM 722 CA SER A 48 -2.357 -2.045 5.829 1.00 0.00 C ATOM 723 C SER A 48 -2.958 -0.701 6.254 1.00 0.00 C ATOM 724 O SER A 48 -2.570 0.345 5.730 1.00 0.00 O ATOM 725 CB SER A 48 -3.190 -2.654 4.696 1.00 0.00 C ATOM 726 OG SER A 48 -4.514 -2.946 5.118 1.00 0.00 O ATOM 0 H SER A 48 -2.774 -3.850 6.817 1.00 0.00 H new ATOM 0 HA SER A 48 -1.345 -1.844 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.220 -1.962 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.711 -3.567 4.342 1.00 0.00 H new ATOM 0 HG SER A 48 -5.018 -3.331 4.371 1.00 0.00 H new ATOM 732 N ARG A 49 -3.819 -0.703 7.279 1.00 0.00 N ATOM 733 CA ARG A 49 -4.369 0.515 7.875 1.00 0.00 C ATOM 734 C ARG A 49 -3.293 1.414 8.499 1.00 0.00 C ATOM 735 O ARG A 49 -3.492 2.623 8.574 1.00 0.00 O ATOM 736 CB ARG A 49 -5.485 0.155 8.870 1.00 0.00 C ATOM 737 CG ARG A 49 -5.006 -0.502 10.182 1.00 0.00 C ATOM 738 CD ARG A 49 -4.537 0.456 11.291 1.00 0.00 C ATOM 739 NE ARG A 49 -5.532 1.503 11.587 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.259 2.798 11.709 1.00 0.00 C ATOM 741 NH1 ARG A 49 -4.042 3.253 11.901 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.215 3.693 11.624 1.00 0.00 N ATOM 0 H ARG A 49 -4.155 -1.559 7.720 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.805 1.111 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.037 1.062 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.185 -0.520 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.819 -1.111 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.186 -1.180 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.333 -0.114 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.599 0.924 10.991 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.502 1.212 11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.258 2.603 11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.881 4.256 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.178 3.397 11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.995 4.685 11.719 1.00 0.00 H new ATOM 756 N GLU A 50 -2.155 0.852 8.929 1.00 0.00 N ATOM 757 CA GLU A 50 -1.055 1.632 9.517 1.00 0.00 C ATOM 758 C GLU A 50 -0.286 2.366 8.409 1.00 0.00 C ATOM 759 O GLU A 50 0.068 3.538 8.542 1.00 0.00 O ATOM 760 CB GLU A 50 -0.082 0.724 10.296 1.00 0.00 C ATOM 761 CG GLU A 50 -0.707 -0.090 11.439 1.00 0.00 C ATOM 762 CD GLU A 50 -0.980 0.774 12.680 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.891 1.632 12.631 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.293 0.592 13.713 1.00 0.00 O ATOM 0 H GLU A 50 -1.971 -0.150 8.880 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.487 2.353 10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.383 0.033 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.714 1.344 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.640 -0.538 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.040 -0.909 11.707 1.00 0.00 H new ATOM 771 N LEU A 51 -0.090 1.677 7.280 1.00 0.00 N ATOM 772 CA LEU A 51 0.550 2.189 6.071 1.00 0.00 C ATOM 773 C LEU A 51 -0.309 3.287 5.424 1.00 0.00 C ATOM 774 O LEU A 51 0.198 4.355 5.077 1.00 0.00 O ATOM 775 CB LEU A 51 0.785 1.007 5.107 1.00 0.00 C ATOM 776 CG LEU A 51 1.419 -0.262 5.716 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.519 -1.366 4.658 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.795 0.033 6.316 1.00 0.00 C ATOM 0 H LEU A 51 -0.387 0.706 7.183 1.00 0.00 H new ATOM 0 HA LEU A 51 1.509 2.645 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.172 0.732 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.424 1.351 4.294 1.00 0.00 H new ATOM 0 HG LEU A 51 0.773 -0.605 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.968 -2.255 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.522 -1.608 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.138 -1.021 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.213 -0.882 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.458 0.411 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.696 0.781 7.103 1.00 0.00 H new ATOM 790 N GLU A 52 -1.621 3.048 5.339 1.00 0.00 N ATOM 791 CA GLU A 52 -2.621 3.999 4.846 1.00 0.00 C ATOM 792 C GLU A 52 -2.731 5.263 5.724 1.00 0.00 C ATOM 793 O GLU A 52 -3.017 6.347 5.213 1.00 0.00 O ATOM 794 CB GLU A 52 -3.982 3.281 4.771 1.00 0.00 C ATOM 795 CG GLU A 52 -5.072 4.051 4.010 1.00 0.00 C ATOM 796 CD GLU A 52 -4.882 4.083 2.485 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.915 3.493 1.949 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.709 4.723 1.798 1.00 0.00 O ATOM 0 H GLU A 52 -2.030 2.157 5.621 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.307 4.340 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.840 2.311 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.333 3.089 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.040 3.602 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.102 5.075 4.381 1.00 0.00 H new ATOM 805 N ASP A 53 -2.470 5.164 7.033 1.00 0.00 N ATOM 806 CA ASP A 53 -2.533 6.306 7.952 1.00 0.00 C ATOM 807 C ASP A 53 -1.261 7.154 7.880 1.00 0.00 C ATOM 808 O ASP A 53 -1.317 8.356 8.109 1.00 0.00 O ATOM 809 CB ASP A 53 -2.768 5.828 9.400 1.00 0.00 C ATOM 810 CG ASP A 53 -4.230 5.909 9.879 1.00 0.00 C ATOM 811 OD1 ASP A 53 -5.176 5.933 9.056 1.00 0.00 O ATOM 812 OD2 ASP A 53 -4.429 5.943 11.118 1.00 0.00 O ATOM 0 H ASP A 53 -2.209 4.288 7.485 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.373 6.928 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.429 4.796 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.148 6.424 10.069 1.00 0.00 H new ATOM 817 N ALA A 54 -0.116 6.561 7.542 1.00 0.00 N ATOM 818 CA ALA A 54 1.183 7.227 7.575 1.00 0.00 C ATOM 819 C ALA A 54 1.331 8.351 6.535 1.00 0.00 C ATOM 820 O ALA A 54 1.733 9.460 6.898 1.00 0.00 O ATOM 821 CB ALA A 54 2.245 6.139 7.445 1.00 0.00 C ATOM 0 H ALA A 54 -0.066 5.590 7.233 1.00 0.00 H new ATOM 0 HA ALA A 54 1.301 7.756 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.236 6.593 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.151 5.438 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.108 5.608 6.503 1.00 0.00 H new ATOM 827 N PHE A 55 0.935 8.118 5.276 1.00 0.00 N ATOM 828 CA PHE A 55 0.941 9.172 4.249 1.00 0.00 C ATOM 829 C PHE A 55 -0.157 10.223 4.500 1.00 0.00 C ATOM 830 O PHE A 55 -0.072 11.352 4.019 1.00 0.00 O ATOM 831 CB PHE A 55 0.859 8.564 2.838 1.00 0.00 C ATOM 832 CG PHE A 55 -0.535 8.308 2.302 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.172 7.080 2.548 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.184 9.292 1.531 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.446 6.833 2.010 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.463 9.046 1.001 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.093 7.811 1.236 1.00 0.00 C ATOM 0 H PHE A 55 0.607 7.211 4.944 1.00 0.00 H new ATOM 0 HA PHE A 55 1.891 9.701 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.375 9.230 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.405 7.621 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.683 6.328 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.698 10.238 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.931 5.885 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.961 9.804 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.071 7.615 0.823 1.00 0.00 H new ATOM 847 N SER A 56 -1.163 9.857 5.294 1.00 0.00 N ATOM 848 CA SER A 56 -2.249 10.741 5.735 1.00 0.00 C ATOM 849 C SER A 56 -1.840 11.620 6.938 1.00 0.00 C ATOM 850 O SER A 56 -2.253 12.779 7.041 1.00 0.00 O ATOM 851 CB SER A 56 -3.480 9.882 6.061 1.00 0.00 C ATOM 852 OG SER A 56 -4.665 10.667 6.102 1.00 0.00 O ATOM 0 H SER A 56 -1.250 8.909 5.661 1.00 0.00 H new ATOM 0 HA SER A 56 -2.486 11.434 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.587 9.098 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.336 9.387 7.022 1.00 0.00 H new ATOM 0 HG SER A 56 -5.431 10.092 6.310 1.00 0.00 H new ATOM 858 N LYS A 57 -0.960 11.116 7.816 1.00 0.00 N ATOM 859 CA LYS A 57 -0.358 11.861 8.932 1.00 0.00 C ATOM 860 C LYS A 57 0.689 12.872 8.438 1.00 0.00 C ATOM 861 O LYS A 57 0.732 14.006 8.924 1.00 0.00 O ATOM 862 CB LYS A 57 0.308 10.866 9.897 1.00 0.00 C ATOM 863 CG LYS A 57 -0.684 10.106 10.795 1.00 0.00 C ATOM 864 CD LYS A 57 -0.094 8.765 11.259 1.00 0.00 C ATOM 865 CE LYS A 57 1.277 8.887 11.946 1.00 0.00 C ATOM 866 NZ LYS A 57 1.148 9.170 13.402 1.00 0.00 N ATOM 0 H LYS A 57 -0.638 10.149 7.768 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.147 12.416 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.884 10.144 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.014 11.405 10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.935 10.716 11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.611 9.930 10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.793 8.292 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.001 8.104 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.837 7.963 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.851 9.683 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.095 9.245 13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.636 10.065 13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.623 8.398 13.860 1.00 0.00 H new ATOM 880 N GLY A 58 1.527 12.457 7.477 1.00 0.00 N ATOM 881 CA GLY A 58 2.585 13.272 6.871 1.00 0.00 C ATOM 882 C GLY A 58 3.981 12.665 6.984 1.00 0.00 C ATOM 883 O GLY A 58 4.916 13.213 6.400 1.00 0.00 O ATOM 0 H GLY A 58 1.484 11.515 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.352 13.426 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.588 14.254 7.344 1.00 0.00 H new ATOM 887 N LYS A 59 4.155 11.556 7.719 1.00 0.00 N ATOM 888 CA LYS A 59 5.444 10.864 7.786 1.00 0.00 C ATOM 889 C LYS A 59 5.858 10.242 6.437 1.00 0.00 C ATOM 890 O LYS A 59 5.032 9.863 5.605 1.00 0.00 O ATOM 891 CB LYS A 59 5.481 9.836 8.936 1.00 0.00 C ATOM 892 CG LYS A 59 4.261 8.915 9.004 1.00 0.00 C ATOM 893 CD LYS A 59 4.500 7.622 9.799 1.00 0.00 C ATOM 894 CE LYS A 59 5.052 7.754 11.231 1.00 0.00 C ATOM 895 NZ LYS A 59 6.536 7.888 11.281 1.00 0.00 N ATOM 0 H LYS A 59 3.417 11.122 8.274 1.00 0.00 H new ATOM 0 HA LYS A 59 6.192 11.624 8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.377 9.224 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.570 10.371 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.432 9.460 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.957 8.655 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.555 7.081 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.191 7.001 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.599 8.623 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.753 6.880 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.897 7.433 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.954 7.429 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.794 8.896 11.287 1.00 0.00 H new ATOM 909 N LYS A 60 7.173 10.103 6.255 1.00 0.00 N ATOM 910 CA LYS A 60 7.815 9.599 5.027 1.00 0.00 C ATOM 911 C LYS A 60 8.149 8.094 5.087 1.00 0.00 C ATOM 912 O LYS A 60 8.559 7.492 4.096 1.00 0.00 O ATOM 913 CB LYS A 60 9.026 10.504 4.715 1.00 0.00 C ATOM 914 CG LYS A 60 10.292 10.245 5.547 1.00 0.00 C ATOM 915 CD LYS A 60 11.442 11.207 5.208 1.00 0.00 C ATOM 916 CE LYS A 60 11.127 12.661 5.595 1.00 0.00 C ATOM 917 NZ LYS A 60 12.274 13.565 5.316 1.00 0.00 N ATOM 0 H LYS A 60 7.848 10.345 6.980 1.00 0.00 H new ATOM 0 HA LYS A 60 7.113 9.658 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.278 10.389 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.726 11.542 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.049 10.337 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.624 9.220 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.346 10.884 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.651 11.156 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.251 13.003 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.875 12.709 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.025 14.537 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.102 13.253 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.498 13.538 4.301 1.00 0.00 H new ATOM 931 N ASN A 61 7.955 7.482 6.260 1.00 0.00 N ATOM 932 CA ASN A 61 8.173 6.063 6.553 1.00 0.00 C ATOM 933 C ASN A 61 7.523 5.697 7.895 1.00 0.00 C ATOM 934 O ASN A 61 7.546 6.492 8.841 1.00 0.00 O ATOM 935 CB ASN A 61 9.666 5.673 6.542 1.00 0.00 C ATOM 936 CG ASN A 61 10.461 6.290 7.685 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.735 7.574 7.580 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.816 5.641 8.661 1.00 0.00 N flip ATOM 0 H ASN A 61 7.622 7.994 7.077 1.00 0.00 H new ATOM 0 HA ASN A 61 7.700 5.492 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.751 4.588 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.107 5.981 5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.593 4.648 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.335 6.094 9.413 1.00 0.00 H new ATOM 945 N THR A 62 6.943 4.500 7.962 1.00 0.00 N ATOM 946 CA THR A 62 6.300 3.934 9.165 1.00 0.00 C ATOM 947 C THR A 62 6.829 2.534 9.478 1.00 0.00 C ATOM 948 O THR A 62 7.707 2.034 8.783 1.00 0.00 O ATOM 949 CB THR A 62 4.776 4.022 9.029 1.00 0.00 C ATOM 950 OG1 THR A 62 4.215 3.878 10.313 1.00 0.00 O ATOM 951 CG2 THR A 62 4.179 2.976 8.085 1.00 0.00 C ATOM 0 H THR A 62 6.902 3.871 7.160 1.00 0.00 H new ATOM 0 HA THR A 62 6.567 4.528 10.039 1.00 0.00 H new ATOM 0 HB THR A 62 4.539 4.991 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.238 3.933 10.251 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.097 3.101 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.600 3.103 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.414 1.977 8.453 1.00 0.00 H new ATOM 959 N GLU A 63 6.328 1.913 10.540 1.00 0.00 N ATOM 960 CA GLU A 63 6.789 0.641 11.091 1.00 0.00 C ATOM 961 C GLU A 63 5.622 -0.322 11.327 1.00 0.00 C ATOM 962 O GLU A 63 4.511 0.086 11.679 1.00 0.00 O ATOM 963 CB GLU A 63 7.524 0.904 12.412 1.00 0.00 C ATOM 964 CG GLU A 63 8.897 1.524 12.153 1.00 0.00 C ATOM 965 CD GLU A 63 9.657 1.803 13.455 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.234 2.691 14.233 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.700 1.153 13.694 1.00 0.00 O ATOM 0 H GLU A 63 5.548 2.303 11.069 1.00 0.00 H new ATOM 0 HA GLU A 63 7.463 0.175 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.931 1.571 13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.639 -0.030 12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.485 0.853 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.776 2.454 11.598 1.00 0.00 H new ATOM 974 N MET A 64 5.897 -1.615 11.151 1.00 0.00 N ATOM 975 CA MET A 64 4.909 -2.698 11.208 1.00 0.00 C ATOM 976 C MET A 64 5.530 -4.021 11.665 1.00 0.00 C ATOM 977 O MET A 64 6.683 -4.329 11.358 1.00 0.00 O ATOM 978 CB MET A 64 4.218 -2.866 9.842 1.00 0.00 C ATOM 979 CG MET A 64 5.219 -2.985 8.685 1.00 0.00 C ATOM 980 SD MET A 64 4.502 -3.418 7.087 1.00 0.00 S ATOM 981 CE MET A 64 6.041 -3.797 6.215 1.00 0.00 C ATOM 0 H MET A 64 6.841 -1.950 10.959 1.00 0.00 H new ATOM 0 HA MET A 64 4.162 -2.420 11.951 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.587 -3.755 9.865 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.562 -2.014 9.664 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.746 -2.036 8.583 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.964 -3.737 8.946 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.941 -3.523 5.165 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.860 -3.233 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.250 -4.864 6.293 1.00 0.00 H new ATOM 991 N LEU A 65 4.735 -4.811 12.387 1.00 0.00 N ATOM 992 CA LEU A 65 5.076 -6.144 12.878 1.00 0.00 C ATOM 993 C LEU A 65 4.417 -7.208 11.996 1.00 0.00 C ATOM 994 O LEU A 65 3.276 -7.055 11.554 1.00 0.00 O ATOM 995 CB LEU A 65 4.622 -6.271 14.350 1.00 0.00 C ATOM 996 CG LEU A 65 5.621 -6.935 15.316 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.000 -8.373 14.953 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.873 -6.068 15.461 1.00 0.00 C ATOM 0 H LEU A 65 3.794 -4.525 12.657 1.00 0.00 H new ATOM 0 HA LEU A 65 6.154 -6.296 12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.394 -5.273 14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.693 -6.840 14.374 1.00 0.00 H new ATOM 0 HG LEU A 65 5.103 -7.008 16.272 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.707 -8.759 15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.105 -8.995 14.948 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.459 -8.390 13.964 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.571 -6.549 16.146 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.347 -5.947 14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.595 -5.090 15.853 1.00 0.00 H new ATOM 1010 N ILE A 66 5.143 -8.297 11.764 1.00 0.00 N ATOM 1011 CA ILE A 66 4.710 -9.441 10.935 1.00 0.00 C ATOM 1012 C ILE A 66 4.726 -10.765 11.729 1.00 0.00 C ATOM 1013 O ILE A 66 4.567 -10.759 12.950 1.00 0.00 O ATOM 1014 CB ILE A 66 5.507 -9.470 9.612 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.000 -9.805 9.835 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.330 -8.147 8.841 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.443 -11.048 9.056 1.00 0.00 C ATOM 0 H ILE A 66 6.077 -8.422 12.154 1.00 0.00 H new ATOM 0 HA ILE A 66 3.664 -9.311 10.656 1.00 0.00 H new ATOM 0 HB ILE A 66 5.099 -10.275 9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.610 -8.954 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.179 -9.963 10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.899 -8.188 7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.275 -7.997 8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.691 -7.319 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.499 -11.240 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.854 -11.907 9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.292 -10.882 7.989 1.00 0.00 H new ATOM 1029 N ALA A 67 4.931 -11.905 11.063 1.00 0.00 N ATOM 1030 CA ALA A 67 5.011 -13.238 11.669 1.00 0.00 C ATOM 1031 C ALA A 67 6.123 -13.422 12.731 1.00 0.00 C ATOM 1032 O ALA A 67 6.059 -14.369 13.520 1.00 0.00 O ATOM 1033 CB ALA A 67 5.225 -14.235 10.522 1.00 0.00 C ATOM 0 H ALA A 67 5.050 -11.926 10.050 1.00 0.00 H new ATOM 0 HA ALA A 67 4.083 -13.400 12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.291 -15.245 10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.387 -14.176 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.149 -13.993 9.997 1.00 0.00 H new ATOM 1039 N GLY A 68 7.129 -12.537 12.765 1.00 0.00 N ATOM 1040 CA GLY A 68 8.247 -12.603 13.719 1.00 0.00 C ATOM 1041 C GLY A 68 9.305 -11.499 13.607 1.00 0.00 C ATOM 1042 O GLY A 68 10.407 -11.679 14.126 1.00 0.00 O ATOM 0 H GLY A 68 7.191 -11.746 12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.836 -12.581 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.744 -13.566 13.597 1.00 0.00 H new ATOM 1046 N PHE A 69 9.000 -10.381 12.934 1.00 0.00 N ATOM 1047 CA PHE A 69 9.967 -9.333 12.573 1.00 0.00 C ATOM 1048 C PHE A 69 9.313 -7.944 12.491 1.00 0.00 C ATOM 1049 O PHE A 69 8.130 -7.821 12.163 1.00 0.00 O ATOM 1050 CB PHE A 69 10.620 -9.666 11.216 1.00 0.00 C ATOM 1051 CG PHE A 69 11.477 -10.918 11.180 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.794 -10.874 11.676 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.977 -12.118 10.635 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.614 -12.014 11.607 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.798 -13.258 10.567 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.118 -13.205 11.049 1.00 0.00 C ATOM 0 H PHE A 69 8.052 -10.175 12.618 1.00 0.00 H new ATOM 0 HA PHE A 69 10.721 -9.304 13.360 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.831 -9.768 10.471 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.236 -8.819 10.914 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.175 -9.962 12.111 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.962 -12.162 10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.626 -11.975 11.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.414 -14.175 10.144 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.750 -14.079 10.990 1.00 0.00 H new ATOM 1066 N LEU A 70 10.110 -6.900 12.747 1.00 0.00 N ATOM 1067 CA LEU A 70 9.749 -5.501 12.504 1.00 0.00 C ATOM 1068 C LEU A 70 10.268 -5.114 11.115 1.00 0.00 C ATOM 1069 O LEU A 70 11.465 -5.208 10.834 1.00 0.00 O ATOM 1070 CB LEU A 70 10.357 -4.618 13.616 1.00 0.00 C ATOM 1071 CG LEU A 70 9.839 -3.168 13.776 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.899 -2.314 12.504 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.413 -3.117 14.335 1.00 0.00 C ATOM 0 H LEU A 70 11.046 -7.009 13.138 1.00 0.00 H new ATOM 0 HA LEU A 70 8.669 -5.357 12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.205 -5.131 14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.433 -4.569 13.449 1.00 0.00 H new ATOM 0 HG LEU A 70 10.538 -2.733 14.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.515 -1.316 12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.932 -2.240 12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.293 -2.777 11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.096 -2.078 14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.738 -3.643 13.660 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.389 -3.593 15.315 1.00 0.00 H new ATOM 1085 N TYR A 71 9.365 -4.635 10.268 1.00 0.00 N ATOM 1086 CA TYR A 71 9.673 -4.043 8.965 1.00 0.00 C ATOM 1087 C TYR A 71 9.338 -2.545 8.942 1.00 0.00 C ATOM 1088 O TYR A 71 8.246 -2.124 9.326 1.00 0.00 O ATOM 1089 CB TYR A 71 8.941 -4.809 7.853 1.00 0.00 C ATOM 1090 CG TYR A 71 9.369 -6.251 7.641 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.724 -6.634 7.724 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.396 -7.225 7.344 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.088 -7.985 7.585 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.755 -8.576 7.212 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.104 -8.965 7.350 1.00 0.00 C ATOM 1096 OH TYR A 71 10.472 -10.271 7.275 1.00 0.00 O ATOM 0 H TYR A 71 8.366 -4.647 10.472 1.00 0.00 H new ATOM 0 HA TYR A 71 10.745 -4.129 8.786 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.874 -4.797 8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.079 -4.269 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.485 -5.887 7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.365 -6.930 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.126 -8.272 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.998 -9.318 7.005 1.00 0.00 H new ATOM 0 HH TYR A 71 9.689 -10.820 7.062 1.00 0.00 H new ATOM 1106 N VAL A 72 10.294 -1.745 8.474 1.00 0.00 N ATOM 1107 CA VAL A 72 10.143 -0.315 8.198 1.00 0.00 C ATOM 1108 C VAL A 72 9.602 -0.188 6.775 1.00 0.00 C ATOM 1109 O VAL A 72 10.247 -0.640 5.831 1.00 0.00 O ATOM 1110 CB VAL A 72 11.481 0.446 8.331 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.275 1.964 8.185 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.183 0.155 9.669 1.00 0.00 C ATOM 0 H VAL A 72 11.233 -2.087 8.268 1.00 0.00 H new ATOM 0 HA VAL A 72 9.463 0.129 8.925 1.00 0.00 H new ATOM 0 HB VAL A 72 12.119 0.088 7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.234 2.472 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.848 2.181 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.597 2.316 8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.119 0.712 9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.537 0.459 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.391 -0.912 9.746 1.00 0.00 H new ATOM 1122 N ALA A 73 8.417 0.399 6.627 1.00 0.00 N ATOM 1123 CA ALA A 73 7.782 0.686 5.347 1.00 0.00 C ATOM 1124 C ALA A 73 8.094 2.134 4.943 1.00 0.00 C ATOM 1125 O ALA A 73 7.592 3.079 5.548 1.00 0.00 O ATOM 1126 CB ALA A 73 6.278 0.414 5.477 1.00 0.00 C ATOM 0 H ALA A 73 7.854 0.698 7.424 1.00 0.00 H new ATOM 0 HA ALA A 73 8.168 0.043 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.787 0.624 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.119 -0.631 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.858 1.055 6.252 1.00 0.00 H new ATOM 1132 N ASP A 74 8.936 2.307 3.926 1.00 0.00 N ATOM 1133 CA ASP A 74 9.291 3.598 3.341 1.00 0.00 C ATOM 1134 C ASP A 74 8.265 3.998 2.275 1.00 0.00 C ATOM 1135 O ASP A 74 8.077 3.291 1.279 1.00 0.00 O ATOM 1136 CB ASP A 74 10.702 3.522 2.751 1.00 0.00 C ATOM 1137 CG ASP A 74 11.137 4.870 2.164 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.608 5.738 2.932 1.00 0.00 O ATOM 1139 OD2 ASP A 74 10.977 5.059 0.937 1.00 0.00 O ATOM 0 H ASP A 74 9.406 1.525 3.471 1.00 0.00 H new ATOM 0 HA ASP A 74 9.281 4.364 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.406 3.217 3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.732 2.758 1.974 1.00 0.00 H new ATOM 1144 N LEU A 75 7.612 5.141 2.498 1.00 0.00 N ATOM 1145 CA LEU A 75 6.525 5.660 1.663 1.00 0.00 C ATOM 1146 C LEU A 75 7.046 6.491 0.474 1.00 0.00 C ATOM 1147 O LEU A 75 6.323 6.667 -0.506 1.00 0.00 O ATOM 1148 CB LEU A 75 5.574 6.497 2.548 1.00 0.00 C ATOM 1149 CG LEU A 75 4.518 5.723 3.368 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.036 4.606 4.278 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.728 6.726 4.221 1.00 0.00 C ATOM 0 H LEU A 75 7.831 5.749 3.287 1.00 0.00 H new ATOM 0 HA LEU A 75 5.986 4.816 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.181 7.080 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.052 7.207 1.907 1.00 0.00 H new ATOM 0 HG LEU A 75 3.908 5.212 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.198 4.142 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.551 3.856 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.729 5.024 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.978 6.194 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.409 7.248 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.235 7.448 3.570 1.00 0.00 H new ATOM 1163 N GLU A 76 8.293 6.970 0.532 1.00 0.00 N ATOM 1164 CA GLU A 76 8.902 7.826 -0.496 1.00 0.00 C ATOM 1165 C GLU A 76 9.262 7.039 -1.762 1.00 0.00 C ATOM 1166 O GLU A 76 8.929 7.449 -2.875 1.00 0.00 O ATOM 1167 CB GLU A 76 10.177 8.481 0.058 1.00 0.00 C ATOM 1168 CG GLU A 76 9.916 9.468 1.198 1.00 0.00 C ATOM 1169 CD GLU A 76 9.186 10.731 0.715 1.00 0.00 C ATOM 1170 OE1 GLU A 76 9.844 11.623 0.129 1.00 0.00 O ATOM 1171 OE2 GLU A 76 7.957 10.844 0.927 1.00 0.00 O ATOM 0 H GLU A 76 8.921 6.770 1.310 1.00 0.00 H new ATOM 0 HA GLU A 76 8.165 8.584 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.851 7.701 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.689 9.002 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.322 8.980 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.864 9.751 1.656 1.00 0.00 H new ATOM 1178 N ASN A 77 9.916 5.890 -1.588 1.00 0.00 N ATOM 1179 CA ASN A 77 10.332 4.977 -2.657 1.00 0.00 C ATOM 1180 C ASN A 77 9.347 3.802 -2.821 1.00 0.00 C ATOM 1181 O ASN A 77 9.454 3.026 -3.772 1.00 0.00 O ATOM 1182 CB ASN A 77 11.744 4.454 -2.338 1.00 0.00 C ATOM 1183 CG ASN A 77 12.771 5.570 -2.154 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.426 5.999 -3.097 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.947 6.061 -0.939 1.00 0.00 N ATOM 0 H ASN A 77 10.182 5.555 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 77 10.338 5.522 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.705 3.852 -1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.072 3.797 -3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.631 6.801 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.399 5.700 -0.159 1.00 0.00 H new ATOM 1192 N MET A 78 8.400 3.664 -1.879 1.00 0.00 N ATOM 1193 CA MET A 78 7.447 2.551 -1.751 1.00 0.00 C ATOM 1194 C MET A 78 8.188 1.203 -1.655 1.00 0.00 C ATOM 1195 O MET A 78 8.132 0.376 -2.570 1.00 0.00 O ATOM 1196 CB MET A 78 6.383 2.585 -2.863 1.00 0.00 C ATOM 1197 CG MET A 78 5.570 3.887 -2.934 1.00 0.00 C ATOM 1198 SD MET A 78 3.797 3.702 -2.613 1.00 0.00 S ATOM 1199 CE MET A 78 3.859 3.525 -0.817 1.00 0.00 C ATOM 0 H MET A 78 8.272 4.363 -1.148 1.00 0.00 H new ATOM 0 HA MET A 78 6.899 2.671 -0.816 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.875 2.427 -3.823 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.696 1.751 -2.716 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.982 4.594 -2.214 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.701 4.326 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.957 3.952 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.923 2.468 -0.558 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.734 4.048 -0.430 1.00 0.00 H new ATOM 1209 N VAL A 79 8.866 0.972 -0.527 1.00 0.00 N ATOM 1210 CA VAL A 79 9.614 -0.271 -0.219 1.00 0.00 C ATOM 1211 C VAL A 79 9.506 -0.640 1.268 1.00 0.00 C ATOM 1212 O VAL A 79 9.077 0.173 2.082 1.00 0.00 O ATOM 1213 CB VAL A 79 11.114 -0.190 -0.616 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.339 -0.123 -2.133 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.833 0.976 0.079 1.00 0.00 C ATOM 0 H VAL A 79 8.917 1.659 0.225 1.00 0.00 H new ATOM 0 HA VAL A 79 9.147 -1.049 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 79 11.551 -1.125 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.408 -0.068 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.924 -1.015 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.846 0.762 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.879 0.994 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.357 1.916 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.775 0.847 1.160 1.00 0.00 H new ATOM 1225 N GLN A 80 9.936 -1.850 1.629 1.00 0.00 N ATOM 1226 CA GLN A 80 10.083 -2.328 3.005 1.00 0.00 C ATOM 1227 C GLN A 80 11.506 -2.861 3.257 1.00 0.00 C ATOM 1228 O GLN A 80 12.166 -3.347 2.337 1.00 0.00 O ATOM 1229 CB GLN A 80 9.018 -3.401 3.321 1.00 0.00 C ATOM 1230 CG GLN A 80 9.186 -4.651 2.439 1.00 0.00 C ATOM 1231 CD GLN A 80 8.384 -5.864 2.883 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.483 -6.322 2.199 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.733 -6.486 3.989 1.00 0.00 N ATOM 0 H GLN A 80 10.203 -2.554 0.941 1.00 0.00 H new ATOM 0 HA GLN A 80 9.925 -1.486 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.089 -3.685 4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.023 -2.981 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.899 -4.398 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.242 -4.921 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.485 -6.113 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.252 -7.342 4.267 1.00 0.00 H new ATOM 1242 N TYR A 81 11.957 -2.807 4.514 1.00 0.00 N ATOM 1243 CA TYR A 81 13.245 -3.338 4.994 1.00 0.00 C ATOM 1244 C TYR A 81 13.275 -3.504 6.529 1.00 0.00 C ATOM 1245 O TYR A 81 12.479 -2.885 7.241 1.00 0.00 O ATOM 1246 CB TYR A 81 14.404 -2.453 4.491 1.00 0.00 C ATOM 1247 CG TYR A 81 14.219 -0.952 4.658 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.371 -0.347 5.922 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.909 -0.155 3.536 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.234 1.047 6.065 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.759 1.238 3.674 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.925 1.845 4.940 1.00 0.00 C ATOM 1253 OH TYR A 81 13.791 3.194 5.071 1.00 0.00 O ATOM 0 H TYR A 81 11.414 -2.374 5.261 1.00 0.00 H new ATOM 0 HA TYR A 81 13.370 -4.338 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.313 -2.747 5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.563 -2.664 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.594 -0.956 6.786 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.786 -0.616 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.365 1.506 7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.517 1.843 2.813 1.00 0.00 H new ATOM 0 HH TYR A 81 13.579 3.588 4.199 1.00 0.00 H new ATOM 1263 N ARG A 82 14.195 -4.319 7.062 1.00 0.00 N ATOM 1264 CA ARG A 82 14.448 -4.431 8.514 1.00 0.00 C ATOM 1265 C ARG A 82 15.191 -3.193 9.044 1.00 0.00 C ATOM 1266 O ARG A 82 16.030 -2.635 8.337 1.00 0.00 O ATOM 1267 CB ARG A 82 15.254 -5.709 8.821 1.00 0.00 C ATOM 1268 CG ARG A 82 14.418 -6.986 8.637 1.00 0.00 C ATOM 1269 CD ARG A 82 15.199 -8.232 9.078 1.00 0.00 C ATOM 1270 NE ARG A 82 14.364 -9.448 9.062 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.149 -10.270 8.040 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.611 -10.063 6.829 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.446 -11.363 8.196 1.00 0.00 N ATOM 0 H ARG A 82 14.791 -4.925 6.498 1.00 0.00 H new ATOM 0 HA ARG A 82 13.485 -4.491 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.126 -5.751 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.624 -5.665 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.498 -6.907 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.129 -7.087 7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.056 -8.373 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.591 -8.076 10.083 1.00 0.00 H new ATOM 0 HE ARG A 82 13.897 -9.686 9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.170 -9.233 6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.411 -10.732 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.056 -11.592 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.288 -11.985 7.403 1.00 0.00 H new ATOM 1287 N ARG A 83 14.940 -2.791 10.299 1.00 0.00 N ATOM 1288 CA ARG A 83 15.516 -1.579 10.932 1.00 0.00 C ATOM 1289 C ARG A 83 17.050 -1.458 10.832 1.00 0.00 C ATOM 1290 O ARG A 83 17.573 -0.350 10.713 1.00 0.00 O ATOM 1291 CB ARG A 83 15.116 -1.524 12.419 1.00 0.00 C ATOM 1292 CG ARG A 83 13.661 -1.080 12.637 1.00 0.00 C ATOM 1293 CD ARG A 83 13.229 -1.185 14.110 1.00 0.00 C ATOM 1294 NE ARG A 83 14.130 -0.455 15.023 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.075 0.830 15.358 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.119 1.635 14.948 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.010 1.335 16.135 1.00 0.00 N ATOM 0 H ARG A 83 14.318 -3.306 10.922 1.00 0.00 H new ATOM 0 HA ARG A 83 15.103 -0.743 10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.259 -2.509 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.781 -0.837 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.544 -0.050 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.001 -1.693 12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.217 -0.794 14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.197 -2.235 14.401 1.00 0.00 H new ATOM 0 HE ARG A 83 14.882 -1.000 15.446 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.376 1.280 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.120 2.615 15.232 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.767 0.741 16.474 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.977 2.320 16.398 1.00 0.00 H new ATOM 1311 N ASN A 84 17.773 -2.583 10.862 1.00 0.00 N ATOM 1312 CA ASN A 84 19.243 -2.628 10.810 1.00 0.00 C ATOM 1313 C ASN A 84 19.823 -2.602 9.372 1.00 0.00 C ATOM 1314 O ASN A 84 21.034 -2.449 9.200 1.00 0.00 O ATOM 1315 CB ASN A 84 19.690 -3.876 11.596 1.00 0.00 C ATOM 1316 CG ASN A 84 21.202 -3.956 11.804 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.890 -4.774 11.203 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.760 -3.123 12.668 1.00 0.00 N ATOM 0 H ASN A 84 17.346 -3.507 10.924 1.00 0.00 H new ATOM 0 HA ASN A 84 19.641 -1.721 11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.197 -3.879 12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.356 -4.768 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.765 -3.160 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.185 -2.444 13.166 1.00 0.00 H new ATOM 1325 N GLU A 85 18.983 -2.743 8.340 1.00 0.00 N ATOM 1326 CA GLU A 85 19.382 -2.850 6.934 1.00 0.00 C ATOM 1327 C GLU A 85 19.156 -1.522 6.191 1.00 0.00 C ATOM 1328 O GLU A 85 18.039 -1.008 6.129 1.00 0.00 O ATOM 1329 CB GLU A 85 18.605 -4.014 6.298 1.00 0.00 C ATOM 1330 CG GLU A 85 18.922 -4.243 4.818 1.00 0.00 C ATOM 1331 CD GLU A 85 20.412 -4.496 4.550 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.947 -5.535 5.001 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.044 -3.653 3.872 1.00 0.00 O ATOM 0 H GLU A 85 17.972 -2.787 8.467 1.00 0.00 H new ATOM 0 HA GLU A 85 20.450 -3.057 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.824 -4.928 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.537 -3.825 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.345 -5.095 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.599 -3.374 4.245 1.00 0.00 H new ATOM 1340 N HIS A 86 20.224 -0.966 5.615 1.00 0.00 N ATOM 1341 CA HIS A 86 20.206 0.290 4.858 1.00 0.00 C ATOM 1342 C HIS A 86 20.024 0.095 3.332 1.00 0.00 C ATOM 1343 O HIS A 86 19.414 0.939 2.668 1.00 0.00 O ATOM 1344 CB HIS A 86 21.517 1.020 5.197 1.00 0.00 C ATOM 1345 CG HIS A 86 21.787 2.230 4.347 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.293 3.517 4.565 1.00 0.00 N ATOM 1347 CD2 HIS A 86 22.555 2.228 3.222 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.780 4.261 3.556 1.00 0.00 C ATOM 1349 NE2 HIS A 86 22.542 3.515 2.734 1.00 0.00 N ATOM 0 H HIS A 86 21.151 -1.388 5.663 1.00 0.00 H new ATOM 0 HA HIS A 86 19.337 0.881 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 86 21.490 1.324 6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 86 22.347 0.322 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 86 23.073 1.382 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 86 21.586 5.315 3.423 1.00 0.00 H new ATOM 0 HE2 HIS A 86 23.024 3.845 1.898 1.00 0.00 H new ATOM 1357 N GLY A 87 20.559 -0.999 2.772 1.00 0.00 N ATOM 1358 CA GLY A 87 20.614 -1.271 1.330 1.00 0.00 C ATOM 1359 C GLY A 87 19.479 -2.168 0.845 1.00 0.00 C ATOM 1360 O GLY A 87 18.642 -1.736 0.049 1.00 0.00 O ATOM 0 H GLY A 87 20.979 -1.743 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.580 -0.327 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.568 -1.741 1.091 1.00 0.00 H new ATOM 1364 N ARG A 88 19.468 -3.426 1.300 1.00 0.00 N ATOM 1365 CA ARG A 88 18.555 -4.469 0.808 1.00 0.00 C ATOM 1366 C ARG A 88 17.106 -4.167 1.213 1.00 0.00 C ATOM 1367 O ARG A 88 16.815 -3.929 2.385 1.00 0.00 O ATOM 1368 CB ARG A 88 19.048 -5.851 1.281 1.00 0.00 C ATOM 1369 CG ARG A 88 18.367 -7.043 0.582 1.00 0.00 C ATOM 1370 CD ARG A 88 17.081 -7.532 1.267 1.00 0.00 C ATOM 1371 NE ARG A 88 16.522 -8.690 0.546 1.00 0.00 N ATOM 1372 CZ ARG A 88 15.878 -9.724 1.077 1.00 0.00 C ATOM 1373 NH1 ARG A 88 15.570 -9.813 2.350 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.517 -10.740 0.334 1.00 0.00 N ATOM 0 H ARG A 88 20.100 -3.755 2.030 1.00 0.00 H new ATOM 0 HA ARG A 88 18.560 -4.480 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 88 20.124 -5.915 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.884 -5.934 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.132 -6.761 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.074 -7.871 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 88 17.294 -7.807 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.348 -6.726 1.296 1.00 0.00 H new ATOM 0 HE ARG A 88 16.642 -8.698 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.827 -9.062 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.074 -10.633 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.730 -10.743 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.023 -11.528 0.753 1.00 0.00 H new ATOM 1388 N ARG A 89 16.198 -4.190 0.233 1.00 0.00 N ATOM 1389 CA ARG A 89 14.803 -3.739 0.361 1.00 0.00 C ATOM 1390 C ARG A 89 13.890 -4.414 -0.673 1.00 0.00 C ATOM 1391 O ARG A 89 14.339 -4.770 -1.766 1.00 0.00 O ATOM 1392 CB ARG A 89 14.745 -2.198 0.292 1.00 0.00 C ATOM 1393 CG ARG A 89 15.201 -1.613 -1.057 1.00 0.00 C ATOM 1394 CD ARG A 89 15.628 -0.146 -0.931 1.00 0.00 C ATOM 1395 NE ARG A 89 15.955 0.436 -2.246 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.117 0.363 -2.889 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.159 -0.278 -2.399 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.247 0.945 -4.061 1.00 0.00 N ATOM 0 H ARG A 89 16.417 -4.533 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 89 14.421 -4.044 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.723 -1.874 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.369 -1.785 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.033 -2.201 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.389 -1.694 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.827 0.429 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.495 -0.073 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 89 15.209 0.951 -2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.092 -0.743 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.032 -0.310 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.460 1.448 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.135 0.894 -4.560 1.00 0.00 H new ATOM 1412 N ARG A 90 12.616 -4.591 -0.315 1.00 0.00 N ATOM 1413 CA ARG A 90 11.579 -5.284 -1.101 1.00 0.00 C ATOM 1414 C ARG A 90 10.460 -4.301 -1.462 1.00 0.00 C ATOM 1415 O ARG A 90 10.076 -3.469 -0.647 1.00 0.00 O ATOM 1416 CB ARG A 90 11.090 -6.492 -0.279 1.00 0.00 C ATOM 1417 CG ARG A 90 9.916 -7.275 -0.893 1.00 0.00 C ATOM 1418 CD ARG A 90 9.456 -8.416 0.029 1.00 0.00 C ATOM 1419 NE ARG A 90 10.487 -9.459 0.180 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.136 -9.783 1.292 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.910 -9.228 2.460 1.00 0.00 N ATOM 1422 NH2 ARG A 90 12.057 -10.708 1.284 1.00 0.00 N ATOM 0 H ARG A 90 12.257 -4.240 0.573 1.00 0.00 H new ATOM 0 HA ARG A 90 11.971 -5.657 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.927 -7.176 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.794 -6.141 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.083 -6.597 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.215 -7.684 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.205 -8.010 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.546 -8.862 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 90 10.727 -9.988 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.200 -8.502 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.445 -9.523 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.286 -11.192 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.548 -10.947 2.146 1.00 0.00 H new ATOM 1436 N LYS A 91 9.948 -4.364 -2.689 1.00 0.00 N ATOM 1437 CA LYS A 91 8.938 -3.431 -3.215 1.00 0.00 C ATOM 1438 C LYS A 91 7.550 -3.575 -2.560 1.00 0.00 C ATOM 1439 O LYS A 91 7.056 -4.691 -2.380 1.00 0.00 O ATOM 1440 CB LYS A 91 8.835 -3.648 -4.739 1.00 0.00 C ATOM 1441 CG LYS A 91 9.682 -2.694 -5.598 1.00 0.00 C ATOM 1442 CD LYS A 91 9.282 -1.212 -5.502 1.00 0.00 C ATOM 1443 CE LYS A 91 7.795 -0.962 -5.781 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.417 0.428 -5.442 1.00 0.00 N ATOM 0 H LYS A 91 10.225 -5.077 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 91 9.266 -2.419 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.131 -4.673 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.791 -3.546 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.727 -2.794 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.613 -3.008 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.524 -0.842 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.878 -0.636 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.581 -1.154 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.190 -1.659 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.393 0.552 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.663 0.623 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.929 1.088 -6.062 1.00 0.00 H new ATOM 1458 N ILE A 92 6.885 -2.440 -2.298 1.00 0.00 N ATOM 1459 CA ILE A 92 5.466 -2.356 -1.890 1.00 0.00 C ATOM 1460 C ILE A 92 4.690 -1.401 -2.816 1.00 0.00 C ATOM 1461 O ILE A 92 5.293 -0.660 -3.594 1.00 0.00 O ATOM 1462 CB ILE A 92 5.295 -2.001 -0.387 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.565 -0.512 -0.119 1.00 0.00 C ATOM 1464 CG2 ILE A 92 6.165 -2.895 0.507 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.491 -0.059 1.342 1.00 0.00 C ATOM 0 H ILE A 92 7.330 -1.524 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 92 5.032 -3.350 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 92 4.253 -2.194 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.556 -0.270 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.849 0.074 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.019 -2.618 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.881 -3.938 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.214 -2.766 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.700 1.009 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.493 -0.257 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.227 -0.606 1.930 1.00 0.00 H new ATOM 1477 N LYS A 93 3.360 -1.408 -2.723 1.00 0.00 N ATOM 1478 CA LYS A 93 2.460 -0.496 -3.448 1.00 0.00 C ATOM 1479 C LYS A 93 1.090 -0.322 -2.763 1.00 0.00 C ATOM 1480 O LYS A 93 0.701 -1.134 -1.918 1.00 0.00 O ATOM 1481 CB LYS A 93 2.274 -0.972 -4.911 1.00 0.00 C ATOM 1482 CG LYS A 93 1.434 -2.258 -5.038 1.00 0.00 C ATOM 1483 CD LYS A 93 1.022 -2.547 -6.486 1.00 0.00 C ATOM 1484 CE LYS A 93 0.180 -3.831 -6.536 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.562 -3.959 -7.816 1.00 0.00 N ATOM 0 H LYS A 93 2.860 -2.066 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 93 2.938 0.483 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.797 -0.178 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.254 -1.142 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.005 -3.102 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.541 -2.168 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.450 -1.710 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.908 -2.656 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.830 -4.696 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.526 -3.834 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.791 -4.959 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.442 -3.407 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.026 -3.601 -8.595 1.00 0.00 H new ATOM 1499 N ARG A 94 0.344 0.701 -3.196 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.088 0.881 -2.911 1.00 0.00 C ATOM 1501 C ARG A 94 -1.904 0.431 -4.132 1.00 0.00 C ATOM 1502 O ARG A 94 -1.446 0.540 -5.271 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.417 2.349 -2.589 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.915 2.761 -1.200 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.333 4.187 -0.805 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.779 4.300 -0.527 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.719 4.805 -1.315 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.471 5.237 -2.535 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.950 4.884 -0.869 1.00 0.00 N ATOM 0 H ARG A 94 0.730 1.450 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.343 0.278 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.967 2.995 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.495 2.499 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.297 2.059 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.172 2.688 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.772 4.494 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.066 4.875 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.092 3.948 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.523 5.191 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.227 5.618 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.173 4.560 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.684 5.270 -1.463 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.127 -0.033 -3.900 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.106 -0.404 -4.926 1.00 0.00 C ATOM 1525 C ASP A 95 -5.547 -0.227 -4.412 1.00 0.00 C ATOM 1526 O ASP A 95 -5.772 0.198 -3.277 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.860 -1.847 -5.414 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.922 -1.951 -6.944 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.974 -1.578 -7.515 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.927 -2.410 -7.556 1.00 0.00 O ATOM 0 H ASP A 95 -3.482 -0.168 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.978 0.267 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.884 -2.187 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.604 -2.511 -4.974 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.528 -0.557 -5.253 1.00 0.00 N ATOM 1536 CA ILE A 96 -7.960 -0.325 -5.032 1.00 0.00 C ATOM 1537 C ILE A 96 -8.741 -1.596 -5.368 1.00 0.00 C ATOM 1538 O ILE A 96 -8.475 -2.272 -6.364 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.460 0.852 -5.902 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.636 2.140 -5.701 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -9.952 1.141 -5.625 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -7.801 2.752 -4.310 1.00 0.00 C ATOM 0 H ILE A 96 -6.340 -1.013 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.119 -0.069 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.331 0.541 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.582 1.919 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.933 2.874 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.283 1.972 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.543 0.255 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.084 1.399 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.195 3.655 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.849 3.004 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.477 2.034 -3.556 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.728 -1.903 -4.533 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.650 -3.035 -4.736 1.00 0.00 C ATOM 1556 C ILE A 97 -11.834 -2.631 -5.625 1.00 0.00 C ATOM 1557 O ILE A 97 -12.403 -1.552 -5.468 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.138 -3.609 -3.393 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.980 -4.137 -2.524 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.169 -4.726 -3.619 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.348 -3.048 -1.655 1.00 0.00 C ATOM 0 H ILE A 97 -9.920 -1.372 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.097 -3.821 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.608 -2.786 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.348 -4.939 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.216 -4.570 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.499 -5.116 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.026 -4.326 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.714 -5.529 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.539 -3.478 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.952 -2.258 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.102 -2.632 -0.987 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.236 -3.542 -6.514 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.295 -3.336 -7.514 1.00 0.00 C ATOM 1575 C ASP A 98 -14.673 -3.927 -7.135 1.00 0.00 C ATOM 1576 O ASP A 98 -15.686 -3.517 -7.702 1.00 0.00 O ATOM 1577 CB ASP A 98 -12.788 -3.891 -8.856 1.00 0.00 C ATOM 1578 CG ASP A 98 -13.736 -3.623 -10.039 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -13.883 -2.444 -10.440 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.285 -4.601 -10.601 1.00 0.00 O ATOM 0 H ASP A 98 -11.823 -4.473 -6.562 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.487 -2.265 -7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.815 -3.451 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.637 -4.966 -8.760 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.699 -4.835 -6.147 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.863 -5.516 -5.527 1.00 0.00 C ATOM 1587 C ILE A 99 -16.444 -6.632 -6.440 1.00 0.00 C ATOM 1588 O ILE A 99 -16.751 -6.369 -7.609 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.960 -4.520 -5.055 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.416 -3.378 -4.160 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.125 -5.230 -4.340 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.881 -3.817 -2.789 1.00 0.00 C ATOM 0 H ILE A 99 -13.828 -5.145 -5.717 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.485 -6.004 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.333 -4.067 -5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.617 -2.867 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.212 -2.650 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.865 -4.492 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.588 -5.945 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.747 -5.756 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.524 -2.945 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.679 -4.299 -2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.059 -4.520 -2.927 1.00 0.00 H new ATOM 1604 N PRO A 100 -16.613 -7.874 -5.933 1.00 0.00 N ATOM 1605 CA PRO A 100 -17.143 -9.003 -6.695 1.00 0.00 C ATOM 1606 C PRO A 100 -18.669 -8.949 -6.815 1.00 0.00 C ATOM 1607 O PRO A 100 -19.353 -8.236 -6.079 1.00 0.00 O ATOM 1608 CB PRO A 100 -16.703 -10.249 -5.921 1.00 0.00 C ATOM 1609 CG PRO A 100 -16.722 -9.767 -4.471 1.00 0.00 C ATOM 1610 CD PRO A 100 -16.265 -8.314 -4.589 1.00 0.00 C ATOM 0 HA PRO A 100 -16.769 -8.997 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.384 -11.085 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.711 -10.584 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -17.717 -9.843 -4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.051 -10.352 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.754 -7.692 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.191 -8.231 -4.420 1.00 0.00 H new ATOM 1618 N LYS A 101 -19.216 -9.780 -7.708 1.00 0.00 N ATOM 1619 CA LYS A 101 -20.670 -9.927 -7.898 1.00 0.00 C ATOM 1620 C LYS A 101 -21.415 -10.391 -6.629 1.00 0.00 C ATOM 1621 O LYS A 101 -22.579 -10.042 -6.423 1.00 0.00 O ATOM 1622 CB LYS A 101 -20.946 -10.832 -9.115 1.00 0.00 C ATOM 1623 CG LYS A 101 -20.482 -12.290 -8.941 1.00 0.00 C ATOM 1624 CD LYS A 101 -20.773 -13.107 -10.207 1.00 0.00 C ATOM 1625 CE LYS A 101 -20.305 -14.557 -10.019 1.00 0.00 C ATOM 1626 NZ LYS A 101 -20.569 -15.381 -11.227 1.00 0.00 N ATOM 0 H LYS A 101 -18.663 -10.375 -8.325 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.078 -8.937 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -22.016 -10.826 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.451 -10.407 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -19.414 -12.314 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -20.990 -12.739 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -21.841 -13.087 -10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.265 -12.661 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.238 -14.569 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -20.815 -14.995 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -20.240 -16.354 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -21.590 -15.390 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.062 -14.977 -12.040 1.00 0.00 H new ATOM 1640 N LYS A 102 -20.717 -11.071 -5.708 1.00 0.00 N ATOM 1641 CA LYS A 102 -21.210 -11.478 -4.379 1.00 0.00 C ATOM 1642 C LYS A 102 -21.685 -10.292 -3.501 1.00 0.00 C ATOM 1643 O LYS A 102 -22.484 -10.481 -2.582 1.00 0.00 O ATOM 1644 CB LYS A 102 -20.096 -12.311 -3.714 1.00 0.00 C ATOM 1645 CG LYS A 102 -20.544 -13.030 -2.431 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.431 -13.940 -1.895 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.898 -14.644 -0.614 1.00 0.00 C ATOM 1648 NZ LYS A 102 -18.848 -15.540 -0.063 1.00 0.00 N ATOM 0 H LYS A 102 -19.754 -11.366 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 102 -22.112 -12.080 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.733 -13.051 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.256 -11.657 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.814 -12.295 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.437 -13.622 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.161 -14.680 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.536 -13.352 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.168 -13.898 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.797 -15.224 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.201 -15.997 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.608 -16.268 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.999 -14.983 0.162 1.00 0.00 H new ATOM 1662 N GLY A 103 -21.278 -9.058 -3.837 1.00 0.00 N ATOM 1663 CA GLY A 103 -21.755 -7.805 -3.227 1.00 0.00 C ATOM 1664 C GLY A 103 -23.167 -7.372 -3.645 1.00 0.00 C ATOM 1665 O GLY A 103 -23.707 -6.441 -3.049 1.00 0.00 O ATOM 0 H GLY A 103 -20.583 -8.899 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -21.732 -7.915 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.057 -7.007 -3.481 1.00 0.00 H new ATOM 1669 N VAL A 104 -23.767 -8.037 -4.635 1.00 0.00 N ATOM 1670 CA VAL A 104 -25.141 -7.818 -5.125 1.00 0.00 C ATOM 1671 C VAL A 104 -25.978 -9.073 -4.844 1.00 0.00 C ATOM 1672 O VAL A 104 -25.549 -10.191 -5.127 1.00 0.00 O ATOM 1673 CB VAL A 104 -25.153 -7.475 -6.636 1.00 0.00 C ATOM 1674 CG1 VAL A 104 -26.580 -7.215 -7.151 1.00 0.00 C ATOM 1675 CG2 VAL A 104 -24.294 -6.232 -6.937 1.00 0.00 C ATOM 0 H VAL A 104 -23.290 -8.780 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 104 -25.573 -6.967 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 104 -24.737 -8.343 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -26.545 -6.978 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -27.190 -8.105 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -27.016 -6.378 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -24.324 -6.019 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.685 -5.377 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.264 -6.419 -6.633 1.00 0.00 H new ATOM 1685 N SER A 105 -27.174 -8.889 -4.282 1.00 0.00 N ATOM 1686 CA SER A 105 -28.095 -9.967 -3.877 1.00 0.00 C ATOM 1687 C SER A 105 -29.538 -9.458 -3.670 1.00 0.00 C ATOM 1688 O SER A 105 -29.778 -8.249 -3.557 1.00 0.00 O ATOM 1689 CB SER A 105 -27.572 -10.677 -2.611 1.00 0.00 C ATOM 1690 OG SER A 105 -27.417 -9.792 -1.506 1.00 0.00 O ATOM 0 H SER A 105 -27.545 -7.959 -4.088 1.00 0.00 H new ATOM 0 HA SER A 105 -28.130 -10.688 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 105 -28.261 -11.476 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 105 -26.613 -11.146 -2.833 1.00 0.00 H new ATOM 0 HG SER A 105 -27.086 -10.292 -0.731 1.00 0.00 H new ATOM 1696 N GLY A 106 -30.512 -10.381 -3.644 1.00 0.00 N ATOM 1697 CA GLY A 106 -31.944 -10.085 -3.475 1.00 0.00 C ATOM 1698 C GLY A 106 -32.398 -9.983 -2.004 1.00 0.00 C ATOM 1699 O GLY A 106 -31.560 -10.046 -1.096 1.00 0.00 O ATOM 0 H GLY A 106 -30.321 -11.378 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -32.172 -9.146 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -32.525 -10.863 -3.970 1.00 0.00 H new ATOM 1703 N PRO A 107 -33.718 -9.820 -1.762 1.00 0.00 N ATOM 1704 CA PRO A 107 -34.317 -9.750 -0.428 1.00 0.00 C ATOM 1705 C PRO A 107 -34.043 -10.992 0.431 1.00 0.00 C ATOM 1706 O PRO A 107 -33.822 -12.087 -0.084 1.00 0.00 O ATOM 1707 CB PRO A 107 -35.824 -9.575 -0.655 1.00 0.00 C ATOM 1708 CG PRO A 107 -35.906 -8.936 -2.038 1.00 0.00 C ATOM 1709 CD PRO A 107 -34.743 -9.596 -2.774 1.00 0.00 C ATOM 0 HA PRO A 107 -33.877 -8.922 0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -36.348 -10.530 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -36.273 -8.939 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -36.861 -9.139 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -35.795 -7.853 -1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -35.052 -10.535 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -34.371 -8.956 -3.574 1.00 0.00 H new ATOM 1717 N SER A 108 -34.107 -10.832 1.755 1.00 0.00 N ATOM 1718 CA SER A 108 -33.807 -11.889 2.743 1.00 0.00 C ATOM 1719 C SER A 108 -34.793 -13.079 2.731 1.00 0.00 C ATOM 1720 O SER A 108 -34.556 -14.097 3.384 1.00 0.00 O ATOM 1721 CB SER A 108 -33.764 -11.278 4.155 1.00 0.00 C ATOM 1722 OG SER A 108 -32.885 -10.159 4.222 1.00 0.00 O ATOM 0 H SER A 108 -34.374 -9.947 2.187 1.00 0.00 H new ATOM 0 HA SER A 108 -32.838 -12.297 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 108 -34.768 -10.970 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 108 -33.442 -12.036 4.869 1.00 0.00 H new ATOM 0 HG SER A 108 -32.885 -9.797 5.133 1.00 0.00 H new ATOM 1728 N SER A 109 -35.894 -12.981 1.982 1.00 0.00 N ATOM 1729 CA SER A 109 -36.890 -14.044 1.776 1.00 0.00 C ATOM 1730 C SER A 109 -36.550 -15.011 0.619 1.00 0.00 C ATOM 1731 O SER A 109 -37.230 -16.031 0.451 1.00 0.00 O ATOM 1732 CB SER A 109 -38.265 -13.394 1.548 1.00 0.00 C ATOM 1733 OG SER A 109 -38.228 -12.445 0.484 1.00 0.00 O ATOM 0 H SER A 109 -36.129 -12.125 1.480 1.00 0.00 H new ATOM 0 HA SER A 109 -36.893 -14.661 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 109 -39.000 -14.166 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 109 -38.592 -12.902 2.464 1.00 0.00 H new ATOM 0 HG SER A 109 -39.118 -12.052 0.365 1.00 0.00 H new ATOM 1739 N GLY A 110 -35.497 -14.732 -0.168 1.00 0.00 N ATOM 1740 CA GLY A 110 -35.043 -15.565 -1.293 1.00 0.00 C ATOM 1741 C GLY A 110 -33.783 -15.032 -1.976 1.00 0.00 C ATOM 1742 O GLY A 110 -32.671 -15.358 -1.505 1.00 0.00 O ATOM 1743 OXT GLY A 110 -33.918 -14.318 -2.995 1.00 0.00 O ATOM 0 H GLY A 110 -34.924 -13.899 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -34.852 -16.576 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -35.844 -15.635 -2.029 1.00 0.00 H new TER 1747 GLY A 110 HETATM 1748 PG ATP A 201 13.192 -13.775 -0.291 1.00 0.00 P HETATM 1749 O1G ATP A 201 14.650 -13.971 -0.451 1.00 0.00 O HETATM 1750 O2G ATP A 201 12.385 -14.905 -0.804 1.00 0.00 O HETATM 1751 O3G ATP A 201 12.707 -12.451 -0.742 1.00 0.00 O HETATM 1752 PB ATP A 201 13.719 -13.584 2.527 1.00 0.00 P HETATM 1753 O1B ATP A 201 14.605 -12.399 2.379 1.00 0.00 O HETATM 1754 O2B ATP A 201 14.315 -14.895 2.918 1.00 0.00 O HETATM 1755 O3B ATP A 201 12.893 -13.785 1.226 1.00 0.00 O HETATM 1756 PA ATP A 201 12.605 -12.175 4.624 1.00 0.00 P HETATM 1757 O1A ATP A 201 12.537 -10.838 3.996 1.00 0.00 O HETATM 1758 O2A ATP A 201 13.652 -12.438 5.641 1.00 0.00 O HETATM 1759 O3A ATP A 201 12.588 -13.275 3.545 1.00 0.00 O HETATM 1760 O5' ATP A 201 11.185 -12.421 5.316 1.00 0.00 O HETATM 1761 C5' ATP A 201 10.999 -13.436 6.294 1.00 0.00 C HETATM 1762 C4' ATP A 201 9.528 -13.862 6.441 1.00 0.00 C HETATM 1763 O4' ATP A 201 8.685 -12.722 6.622 1.00 0.00 O HETATM 1764 C3' ATP A 201 9.021 -14.638 5.216 1.00 0.00 C HETATM 1765 O3' ATP A 201 8.091 -15.642 5.624 1.00 0.00 O HETATM 1766 C2' ATP A 201 8.345 -13.528 4.407 1.00 0.00 C HETATM 1767 O2' ATP A 201 7.329 -13.989 3.516 1.00 0.00 O HETATM 1768 C1' ATP A 201 7.783 -12.645 5.524 1.00 0.00 C HETATM 1769 N9 ATP A 201 7.585 -11.250 5.072 1.00 0.00 N HETATM 1770 C8 ATP A 201 8.447 -10.445 4.368 1.00 0.00 C HETATM 1771 N7 ATP A 201 7.922 -9.325 3.945 1.00 0.00 N HETATM 1772 C5 ATP A 201 6.619 -9.376 4.466 1.00 0.00 C HETATM 1773 C6 ATP A 201 5.502 -8.504 4.460 1.00 0.00 C HETATM 1774 N6 ATP A 201 5.442 -7.353 3.833 1.00 0.00 N HETATM 1775 N1 ATP A 201 4.404 -8.774 5.162 1.00 0.00 N HETATM 1776 C2 ATP A 201 4.370 -9.918 5.826 1.00 0.00 C HETATM 1777 N3 ATP A 201 5.303 -10.863 5.892 1.00 0.00 N HETATM 1778 C4 ATP A 201 6.421 -10.525 5.185 1.00 0.00 C HETATM 0 HO3' ATP A 201 7.352 -15.683 4.982 1.00 0.00 H new HETATM 0 HO2' ATP A 201 6.943 -13.226 3.037 1.00 0.00 H new HETATM 0 HN62 ATP A 201 4.594 -6.788 3.884 1.00 0.00 H new HETATM 0 HN61 ATP A 201 6.243 -7.023 3.295 1.00 0.00 H new HETATM 0 H5'2 ATP A 201 11.599 -14.306 6.027 1.00 0.00 H new HETATM 0 H5'1 ATP A 201 11.367 -13.079 7.256 1.00 0.00 H new HETATM 0 H8 ATP A 201 9.485 -10.718 4.177 1.00 0.00 H new HETATM 0 H4' ATP A 201 9.487 -14.512 7.315 1.00 0.00 H new HETATM 0 H3' ATP A 201 9.791 -15.170 4.656 1.00 0.00 H new HETATM 0 H2' ATP A 201 9.029 -13.022 3.726 1.00 0.00 H new HETATM 0 H2 ATP A 201 3.459 -10.111 6.392 1.00 0.00 H new HETATM 0 H1' ATP A 201 6.797 -13.000 5.824 1.00 0.00 H new