USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.112) USER MOD Single : A 19 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc=-0.000727 (180deg=-0.107) USER MOD Single : A 37 THR OG1 : rot 109:sc= 0.565 USER MOD Single : A 41 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.3) USER MOD Single : A 42 ASN : amide:sc= -0.078 X(o=-0.078,f=-0.42) USER MOD Single : A 43 ASN :FLIP amide:sc= -4.98! C(o=-5.5!,f=-5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-1.4) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -160:sc= -1.9 USER MOD Single : A 56 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.13) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -32:sc= 1.27 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0656) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.850 17.432 4.349 1.00 0.00 N ATOM 2 CA GLY A 1 3.172 16.060 4.703 1.00 0.00 C ATOM 3 C GLY A 1 4.673 15.795 4.561 1.00 0.00 C ATOM 4 O GLY A 1 5.475 16.322 5.330 1.00 0.00 O ATOM 0 H1 GLY A 1 1.827 17.586 4.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.364 18.082 4.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.128 17.611 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.860 15.862 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.616 15.375 4.063 1.00 0.00 H new ATOM 8 N SER A 2 5.006 14.979 3.572 1.00 0.00 N ATOM 9 CA SER A 2 6.396 14.638 3.319 1.00 0.00 C ATOM 10 C SER A 2 6.979 13.894 4.523 1.00 0.00 C ATOM 11 O SER A 2 6.809 14.322 5.663 1.00 0.00 O ATOM 12 CB SER A 2 7.224 15.889 3.016 1.00 0.00 C ATOM 13 OG SER A 2 6.944 16.413 1.721 1.00 0.00 O ATOM 0 H SER A 2 4.337 14.544 2.936 1.00 0.00 H new ATOM 0 HA SER A 2 6.436 13.989 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.018 16.651 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.285 15.648 3.088 1.00 0.00 H new ATOM 0 HG SER A 2 7.491 17.211 1.566 1.00 0.00 H new ATOM 19 N SER A 3 7.654 12.794 4.227 1.00 0.00 N ATOM 20 CA SER A 3 8.264 11.986 5.270 1.00 0.00 C ATOM 21 C SER A 3 9.562 11.361 4.757 1.00 0.00 C ATOM 22 O SER A 3 9.790 11.297 3.550 1.00 0.00 O ATOM 23 CB SER A 3 7.305 10.897 5.754 1.00 0.00 C ATOM 24 OG SER A 3 6.804 10.109 4.678 1.00 0.00 O ATOM 0 H SER A 3 7.792 12.442 3.280 1.00 0.00 H new ATOM 0 HA SER A 3 8.491 12.635 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.819 10.252 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.472 11.358 6.284 1.00 0.00 H new ATOM 0 HG SER A 3 6.197 9.424 5.029 1.00 0.00 H new ATOM 30 N GLY A 4 10.380 10.915 5.700 1.00 0.00 N ATOM 31 CA GLY A 4 11.649 10.297 5.358 1.00 0.00 C ATOM 32 C GLY A 4 11.552 8.771 5.424 1.00 0.00 C ATOM 33 O GLY A 4 10.988 8.142 4.530 1.00 0.00 O ATOM 0 H GLY A 4 10.188 10.970 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.948 10.603 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.423 10.646 6.042 1.00 0.00 H new ATOM 37 N SER A 5 12.110 8.220 6.492 1.00 0.00 N ATOM 38 CA SER A 5 12.092 6.780 6.687 1.00 0.00 C ATOM 39 C SER A 5 12.847 6.090 5.549 1.00 0.00 C ATOM 40 O SER A 5 12.864 6.582 4.422 1.00 0.00 O ATOM 41 CB SER A 5 10.659 6.253 6.770 1.00 0.00 C ATOM 42 OG SER A 5 10.078 6.485 8.050 1.00 0.00 O ATOM 0 H SER A 5 12.577 8.745 7.231 1.00 0.00 H new ATOM 0 HA SER A 5 12.587 6.556 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.051 6.734 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.653 5.184 6.558 1.00 0.00 H new ATOM 0 HG SER A 5 9.162 6.136 8.062 1.00 0.00 H new ATOM 48 N SER A 6 13.453 4.960 5.884 1.00 0.00 N ATOM 49 CA SER A 6 14.207 4.196 4.904 1.00 0.00 C ATOM 50 C SER A 6 14.010 2.698 5.144 1.00 0.00 C ATOM 51 O SER A 6 13.531 2.293 6.202 1.00 0.00 O ATOM 52 CB SER A 6 15.694 4.551 4.956 1.00 0.00 C ATOM 53 OG SER A 6 16.268 4.265 6.228 1.00 0.00 O ATOM 0 H SER A 6 13.437 4.555 6.820 1.00 0.00 H new ATOM 0 HA SER A 6 13.835 4.450 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.227 3.994 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.822 5.610 4.731 1.00 0.00 H new ATOM 0 HG SER A 6 17.218 4.504 6.219 1.00 0.00 H new ATOM 59 N GLY A 7 14.391 1.916 4.144 1.00 0.00 N ATOM 60 CA GLY A 7 14.262 0.472 4.233 1.00 0.00 C ATOM 61 C GLY A 7 14.390 -0.176 2.853 1.00 0.00 C ATOM 62 O GLY A 7 13.873 0.348 1.867 1.00 0.00 O ATOM 0 H GLY A 7 14.789 2.256 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.029 0.075 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.297 0.216 4.671 1.00 0.00 H new ATOM 66 N LYS A 8 15.080 -1.306 2.826 1.00 0.00 N ATOM 67 CA LYS A 8 15.282 -2.031 1.583 1.00 0.00 C ATOM 68 C LYS A 8 14.867 -3.491 1.776 1.00 0.00 C ATOM 69 O LYS A 8 15.713 -4.359 1.984 1.00 0.00 O ATOM 70 CB LYS A 8 16.720 -1.861 1.091 1.00 0.00 C ATOM 71 CG LYS A 8 16.781 -0.915 -0.110 1.00 0.00 C ATOM 72 CD LYS A 8 18.176 -0.915 -0.739 1.00 0.00 C ATOM 73 CE LYS A 8 18.117 -1.357 -2.202 1.00 0.00 C ATOM 74 NZ LYS A 8 19.231 -0.757 -2.970 1.00 0.00 N ATOM 0 H LYS A 8 15.507 -1.738 3.646 1.00 0.00 H new ATOM 0 HA LYS A 8 14.650 -1.620 0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.340 -1.470 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.131 -2.832 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.043 -1.217 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.520 0.095 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.608 0.084 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.831 -1.583 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.170 -2.444 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.164 -1.060 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.176 -1.067 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.163 0.280 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.138 -1.061 -2.562 1.00 0.00 H new ATOM 88 N VAL A 9 13.563 -3.717 1.700 1.00 0.00 N ATOM 89 CA VAL A 9 13.026 -5.057 1.863 1.00 0.00 C ATOM 90 C VAL A 9 13.001 -5.761 0.505 1.00 0.00 C ATOM 91 O VAL A 9 13.526 -5.241 -0.478 1.00 0.00 O ATOM 92 CB VAL A 9 11.649 -4.991 2.528 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.754 -4.447 3.954 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.677 -4.156 1.692 1.00 0.00 C ATOM 0 H VAL A 9 12.864 -2.995 1.528 1.00 0.00 H new ATOM 0 HA VAL A 9 13.663 -5.646 2.522 1.00 0.00 H new ATOM 0 HB VAL A 9 11.255 -6.006 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.762 -4.410 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.397 -5.099 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.179 -3.443 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.706 -4.125 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.064 -3.142 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.567 -4.605 0.705 1.00 0.00 H new ATOM 104 N SER A 10 12.385 -6.935 0.494 1.00 0.00 N ATOM 105 CA SER A 10 12.285 -7.716 -0.727 1.00 0.00 C ATOM 106 C SER A 10 10.820 -7.842 -1.149 1.00 0.00 C ATOM 107 O SER A 10 9.918 -7.539 -0.370 1.00 0.00 O ATOM 108 CB SER A 10 12.907 -9.102 -0.547 1.00 0.00 C ATOM 109 OG SER A 10 13.197 -9.383 0.819 1.00 0.00 O ATOM 0 H SER A 10 11.950 -7.364 1.311 1.00 0.00 H new ATOM 0 HA SER A 10 12.839 -7.198 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.226 -9.859 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.824 -9.167 -1.133 1.00 0.00 H new ATOM 0 HG SER A 10 13.591 -10.277 0.892 1.00 0.00 H new ATOM 115 N PRO A 11 10.624 -8.302 -2.413 1.00 0.00 N ATOM 116 CA PRO A 11 9.283 -8.473 -2.948 1.00 0.00 C ATOM 117 C PRO A 11 8.610 -9.712 -2.355 1.00 0.00 C ATOM 118 O PRO A 11 9.285 -10.608 -1.851 1.00 0.00 O ATOM 119 CB PRO A 11 9.469 -8.560 -4.454 1.00 0.00 C ATOM 120 CG PRO A 11 10.933 -8.902 -4.675 1.00 0.00 C ATOM 121 CD PRO A 11 11.668 -8.671 -3.364 1.00 0.00 C ATOM 0 HA PRO A 11 8.618 -7.649 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.821 -9.323 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.212 -7.616 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.039 -9.939 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.355 -8.280 -5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.197 -9.569 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.412 -7.881 -3.461 1.00 0.00 H new ATOM 129 N PRO A 12 7.252 -9.724 -2.438 1.00 0.00 N ATOM 130 CA PRO A 12 6.480 -10.838 -1.916 1.00 0.00 C ATOM 131 C PRO A 12 6.581 -12.055 -2.838 1.00 0.00 C ATOM 132 O PRO A 12 7.232 -11.996 -3.880 1.00 0.00 O ATOM 133 CB PRO A 12 5.062 -10.308 -1.786 1.00 0.00 C ATOM 134 CG PRO A 12 4.996 -9.073 -2.670 1.00 0.00 C ATOM 135 CD PRO A 12 6.420 -8.680 -3.028 1.00 0.00 C ATOM 0 HA PRO A 12 6.849 -11.190 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.335 -11.055 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.831 -10.060 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.419 -9.279 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.494 -8.257 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.557 -8.628 -4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.673 -7.698 -2.627 1.00 0.00 H new ATOM 143 N GLU A 13 5.928 -13.129 -2.421 1.00 0.00 N ATOM 144 CA GLU A 13 5.936 -14.358 -3.196 1.00 0.00 C ATOM 145 C GLU A 13 4.699 -14.427 -4.094 1.00 0.00 C ATOM 146 O GLU A 13 4.798 -14.782 -5.268 1.00 0.00 O ATOM 147 CB GLU A 13 6.019 -15.583 -2.283 1.00 0.00 C ATOM 148 CG GLU A 13 7.468 -16.046 -2.118 1.00 0.00 C ATOM 149 CD GLU A 13 7.540 -17.342 -1.309 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.798 -18.280 -1.673 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.336 -17.366 -0.345 1.00 0.00 O ATOM 0 H GLU A 13 5.389 -13.174 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 13 6.823 -14.358 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.597 -15.343 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.420 -16.393 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.918 -16.200 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.047 -15.269 -1.619 1.00 0.00 H new ATOM 158 N ASP A 14 3.561 -14.082 -3.508 1.00 0.00 N ATOM 159 CA ASP A 14 2.307 -14.100 -4.241 1.00 0.00 C ATOM 160 C ASP A 14 2.342 -13.029 -5.332 1.00 0.00 C ATOM 161 O ASP A 14 2.290 -11.836 -5.037 1.00 0.00 O ATOM 162 CB ASP A 14 1.126 -13.796 -3.317 1.00 0.00 C ATOM 163 CG ASP A 14 0.284 -15.011 -2.922 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.889 -15.981 -2.417 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.946 -14.942 -3.134 1.00 0.00 O ATOM 0 H ASP A 14 3.482 -13.789 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 14 2.182 -15.094 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.506 -13.326 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.479 -13.068 -3.807 1.00 0.00 H new ATOM 170 N GLU A 15 2.431 -13.492 -6.570 1.00 0.00 N ATOM 171 CA GLU A 15 2.474 -12.588 -7.706 1.00 0.00 C ATOM 172 C GLU A 15 1.240 -11.684 -7.712 1.00 0.00 C ATOM 173 O GLU A 15 1.357 -10.469 -7.868 1.00 0.00 O ATOM 174 CB GLU A 15 2.591 -13.364 -9.020 1.00 0.00 C ATOM 175 CG GLU A 15 3.343 -12.548 -10.073 1.00 0.00 C ATOM 176 CD GLU A 15 3.389 -13.290 -11.411 1.00 0.00 C ATOM 177 OE1 GLU A 15 4.291 -14.143 -11.556 1.00 0.00 O ATOM 178 OE2 GLU A 15 2.521 -12.986 -12.258 1.00 0.00 O ATOM 0 H GLU A 15 2.475 -14.482 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 15 3.360 -11.960 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.111 -14.306 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.596 -13.613 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.856 -11.582 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.358 -12.349 -9.728 1.00 0.00 H new ATOM 185 N GLU A 16 0.085 -12.311 -7.541 1.00 0.00 N ATOM 186 CA GLU A 16 -1.169 -11.578 -7.525 1.00 0.00 C ATOM 187 C GLU A 16 -1.062 -10.363 -6.600 1.00 0.00 C ATOM 188 O GLU A 16 -1.737 -9.357 -6.810 1.00 0.00 O ATOM 189 CB GLU A 16 -2.329 -12.484 -7.108 1.00 0.00 C ATOM 190 CG GLU A 16 -3.118 -12.962 -8.328 1.00 0.00 C ATOM 191 CD GLU A 16 -4.251 -13.903 -7.915 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.929 -15.053 -7.547 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.415 -13.450 -7.976 1.00 0.00 O ATOM 0 H GLU A 16 -0.008 -13.319 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.373 -11.224 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.944 -13.344 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.991 -11.944 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.529 -12.103 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.449 -13.474 -9.020 1.00 0.00 H new ATOM 200 N ALA A 17 -0.209 -10.498 -5.595 1.00 0.00 N ATOM 201 CA ALA A 17 -0.006 -9.425 -4.637 1.00 0.00 C ATOM 202 C ALA A 17 0.854 -8.333 -5.277 1.00 0.00 C ATOM 203 O ALA A 17 0.432 -7.182 -5.372 1.00 0.00 O ATOM 204 CB ALA A 17 0.624 -9.991 -3.362 1.00 0.00 C ATOM 0 H ALA A 17 0.349 -11.334 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.958 -8.974 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.776 -9.186 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.038 -10.742 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.583 -10.449 -3.603 1.00 0.00 H new ATOM 210 N LYS A 18 2.045 -8.733 -5.698 1.00 0.00 N ATOM 211 CA LYS A 18 2.968 -7.803 -6.326 1.00 0.00 C ATOM 212 C LYS A 18 2.189 -6.866 -7.252 1.00 0.00 C ATOM 213 O LYS A 18 2.572 -5.712 -7.438 1.00 0.00 O ATOM 214 CB LYS A 18 4.098 -8.560 -7.026 1.00 0.00 C ATOM 215 CG LYS A 18 5.463 -7.979 -6.648 1.00 0.00 C ATOM 216 CD LYS A 18 6.591 -8.939 -7.030 1.00 0.00 C ATOM 217 CE LYS A 18 6.878 -8.878 -8.532 1.00 0.00 C ATOM 218 NZ LYS A 18 6.169 -9.967 -9.240 1.00 0.00 N ATOM 0 H LYS A 18 2.392 -9.689 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 18 3.452 -7.180 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.059 -9.614 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.962 -8.506 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.608 -7.023 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.495 -7.783 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.493 -8.686 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.318 -9.956 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.564 -7.913 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.951 -8.961 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.833 -9.621 -10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.818 -10.766 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.357 -10.280 -8.671 1.00 0.00 H new ATOM 232 N ASN A 19 1.111 -7.397 -7.809 1.00 0.00 N ATOM 233 CA ASN A 19 0.275 -6.623 -8.711 1.00 0.00 C ATOM 234 C ASN A 19 -0.747 -5.827 -7.896 1.00 0.00 C ATOM 235 O ASN A 19 -0.875 -4.616 -8.068 1.00 0.00 O ATOM 236 CB ASN A 19 -0.492 -7.535 -9.670 1.00 0.00 C ATOM 237 CG ASN A 19 -0.413 -7.012 -11.106 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.178 -5.841 -11.355 1.00 0.00 O ATOM 239 ND2 ASN A 19 -0.622 -7.942 -12.033 1.00 0.00 N ATOM 0 H ASN A 19 0.797 -8.355 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 19 0.922 -5.960 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.082 -8.544 -9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.535 -7.600 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.591 -7.693 -13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.814 -8.905 -11.756 1.00 0.00 H new ATOM 246 N LEU A 20 -1.447 -6.541 -7.027 1.00 0.00 N ATOM 247 CA LEU A 20 -2.454 -5.916 -6.185 1.00 0.00 C ATOM 248 C LEU A 20 -1.823 -4.746 -5.427 1.00 0.00 C ATOM 249 O LEU A 20 -2.336 -3.628 -5.466 1.00 0.00 O ATOM 250 CB LEU A 20 -3.112 -6.955 -5.276 1.00 0.00 C ATOM 251 CG LEU A 20 -4.271 -7.745 -5.888 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.984 -8.583 -4.826 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.235 -6.816 -6.629 1.00 0.00 C ATOM 0 H LEU A 20 -1.337 -7.545 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.259 -5.505 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.348 -7.662 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.476 -6.448 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.863 -8.438 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.803 -9.134 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.278 -9.285 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.379 -7.927 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.050 -7.402 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.641 -6.082 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.702 -6.301 -7.428 1.00 0.00 H new ATOM 265 N ALA A 21 -0.721 -5.043 -4.755 1.00 0.00 N ATOM 266 CA ALA A 21 -0.016 -4.030 -3.988 1.00 0.00 C ATOM 267 C ALA A 21 0.183 -2.787 -4.857 1.00 0.00 C ATOM 268 O ALA A 21 -0.271 -1.699 -4.504 1.00 0.00 O ATOM 269 CB ALA A 21 1.309 -4.604 -3.480 1.00 0.00 C ATOM 0 H ALA A 21 -0.299 -5.971 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.599 -3.734 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.838 -3.844 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.112 -5.468 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.922 -4.909 -4.328 1.00 0.00 H new ATOM 275 N GLU A 22 0.863 -2.988 -5.976 1.00 0.00 N ATOM 276 CA GLU A 22 1.127 -1.896 -6.898 1.00 0.00 C ATOM 277 C GLU A 22 -0.164 -1.135 -7.203 1.00 0.00 C ATOM 278 O GLU A 22 -0.301 0.033 -6.841 1.00 0.00 O ATOM 279 CB GLU A 22 1.778 -2.410 -8.184 1.00 0.00 C ATOM 280 CG GLU A 22 3.021 -1.589 -8.535 1.00 0.00 C ATOM 281 CD GLU A 22 2.937 -1.052 -9.966 1.00 0.00 C ATOM 282 OE1 GLU A 22 1.898 -0.431 -10.279 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.913 -1.275 -10.713 1.00 0.00 O ATOM 0 H GLU A 22 1.239 -3.891 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 22 1.828 -1.208 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.052 -3.458 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.061 -2.360 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.122 -0.758 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.912 -2.207 -8.426 1.00 0.00 H new ATOM 290 N LYS A 23 -1.079 -1.827 -7.867 1.00 0.00 N ATOM 291 CA LYS A 23 -2.355 -1.230 -8.225 1.00 0.00 C ATOM 292 C LYS A 23 -2.871 -0.398 -7.050 1.00 0.00 C ATOM 293 O LYS A 23 -3.052 0.813 -7.175 1.00 0.00 O ATOM 294 CB LYS A 23 -3.336 -2.306 -8.695 1.00 0.00 C ATOM 295 CG LYS A 23 -3.476 -2.293 -10.219 1.00 0.00 C ATOM 296 CD LYS A 23 -3.692 -3.707 -10.761 1.00 0.00 C ATOM 297 CE LYS A 23 -5.183 -4.014 -10.915 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.740 -3.303 -12.088 1.00 0.00 N ATOM 0 H LYS A 23 -0.962 -2.795 -8.166 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.235 -0.550 -9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.991 -3.286 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.310 -2.141 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.314 -1.658 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.581 -1.861 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.194 -3.811 -11.725 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.236 -4.432 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.329 -5.088 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.717 -3.714 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.659 -3.719 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.868 -2.297 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.085 -3.392 -12.891 1.00 0.00 H new ATOM 312 N LEU A 24 -3.094 -1.079 -5.936 1.00 0.00 N ATOM 313 CA LEU A 24 -3.587 -0.418 -4.740 1.00 0.00 C ATOM 314 C LEU A 24 -2.884 0.933 -4.583 1.00 0.00 C ATOM 315 O LEU A 24 -3.497 1.981 -4.777 1.00 0.00 O ATOM 316 CB LEU A 24 -3.439 -1.332 -3.523 1.00 0.00 C ATOM 317 CG LEU A 24 -4.678 -1.473 -2.635 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.937 -0.187 -1.848 1.00 0.00 C ATOM 319 CD2 LEU A 24 -5.896 -1.897 -3.458 1.00 0.00 C ATOM 0 H LEU A 24 -2.942 -2.083 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.654 -0.215 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.151 -2.324 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.618 -0.959 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.490 -2.263 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.823 -0.314 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.077 0.032 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.097 0.638 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.763 -1.990 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.097 -1.147 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.697 -2.857 -3.935 1.00 0.00 H new ATOM 331 N ALA A 25 -1.608 0.862 -4.235 1.00 0.00 N ATOM 332 CA ALA A 25 -0.815 2.066 -4.050 1.00 0.00 C ATOM 333 C ALA A 25 -1.025 2.998 -5.245 1.00 0.00 C ATOM 334 O ALA A 25 -1.310 4.182 -5.071 1.00 0.00 O ATOM 335 CB ALA A 25 0.654 1.686 -3.859 1.00 0.00 C ATOM 0 H ALA A 25 -1.103 -0.010 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.132 2.600 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.248 2.589 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.754 1.048 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.009 1.150 -4.739 1.00 0.00 H new ATOM 341 N ARG A 26 -0.876 2.429 -6.432 1.00 0.00 N ATOM 342 CA ARG A 26 -1.046 3.194 -7.656 1.00 0.00 C ATOM 343 C ARG A 26 -2.370 3.959 -7.624 1.00 0.00 C ATOM 344 O ARG A 26 -2.449 5.091 -8.099 1.00 0.00 O ATOM 345 CB ARG A 26 -1.021 2.282 -8.884 1.00 0.00 C ATOM 346 CG ARG A 26 0.209 2.561 -9.750 1.00 0.00 C ATOM 347 CD ARG A 26 -0.196 3.130 -11.111 1.00 0.00 C ATOM 348 NE ARG A 26 0.860 2.853 -12.110 1.00 0.00 N ATOM 349 CZ ARG A 26 2.014 3.529 -12.189 1.00 0.00 C ATOM 350 NH1 ARG A 26 2.268 4.524 -11.329 1.00 0.00 N ATOM 351 NH2 ARG A 26 2.915 3.209 -13.129 1.00 0.00 N ATOM 0 H ARG A 26 -0.639 1.447 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.217 3.898 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.018 1.239 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.926 2.433 -9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.866 3.265 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.775 1.640 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.138 2.687 -11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.360 4.205 -11.031 1.00 0.00 H new ATOM 0 HE ARG A 26 0.699 2.101 -12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.583 4.767 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.147 5.038 -11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.722 2.451 -13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.794 3.724 -13.189 1.00 0.00 H new ATOM 365 N PHE A 27 -3.378 3.311 -7.059 1.00 0.00 N ATOM 366 CA PHE A 27 -4.696 3.916 -6.959 1.00 0.00 C ATOM 367 C PHE A 27 -4.771 4.871 -5.766 1.00 0.00 C ATOM 368 O PHE A 27 -5.077 6.051 -5.930 1.00 0.00 O ATOM 369 CB PHE A 27 -5.696 2.777 -6.751 1.00 0.00 C ATOM 370 CG PHE A 27 -7.016 3.218 -6.115 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.826 4.095 -6.768 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.381 2.733 -4.898 1.00 0.00 C ATOM 373 CE1 PHE A 27 -9.051 4.504 -6.178 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.606 3.142 -4.309 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.415 4.019 -4.961 1.00 0.00 C ATOM 0 H PHE A 27 -3.309 2.373 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.913 4.488 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.906 2.311 -7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.237 2.015 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.537 4.480 -7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.739 2.037 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.694 5.200 -6.696 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.896 2.756 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.347 4.330 -4.512 1.00 0.00 H new ATOM 385 N ILE A 28 -4.486 4.325 -4.593 1.00 0.00 N ATOM 386 CA ILE A 28 -4.518 5.113 -3.373 1.00 0.00 C ATOM 387 C ILE A 28 -3.615 6.337 -3.539 1.00 0.00 C ATOM 388 O ILE A 28 -3.815 7.354 -2.877 1.00 0.00 O ATOM 389 CB ILE A 28 -4.162 4.245 -2.165 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.345 3.366 -1.753 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.653 5.103 -1.004 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.007 2.539 -0.511 1.00 0.00 C ATOM 0 H ILE A 28 -4.232 3.346 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.526 5.483 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.350 3.577 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.215 3.991 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.613 2.702 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.407 4.461 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.762 5.648 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.427 5.812 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.864 1.923 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.152 1.897 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.763 3.207 0.315 1.00 0.00 H new ATOM 404 N ALA A 29 -2.641 6.198 -4.426 1.00 0.00 N ATOM 405 CA ALA A 29 -1.707 7.280 -4.686 1.00 0.00 C ATOM 406 C ALA A 29 -2.397 8.352 -5.533 1.00 0.00 C ATOM 407 O ALA A 29 -2.112 9.540 -5.391 1.00 0.00 O ATOM 408 CB ALA A 29 -0.453 6.721 -5.362 1.00 0.00 C ATOM 0 H ALA A 29 -2.478 5.353 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.393 7.748 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.248 7.533 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.016 5.986 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.728 6.245 -6.303 1.00 0.00 H new ATOM 414 N ASP A 30 -3.292 7.893 -6.396 1.00 0.00 N ATOM 415 CA ASP A 30 -4.025 8.797 -7.265 1.00 0.00 C ATOM 416 C ASP A 30 -5.055 9.569 -6.439 1.00 0.00 C ATOM 417 O ASP A 30 -5.683 10.502 -6.937 1.00 0.00 O ATOM 418 CB ASP A 30 -4.774 8.027 -8.354 1.00 0.00 C ATOM 419 CG ASP A 30 -4.410 8.416 -9.789 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.908 9.473 -10.233 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.643 7.649 -10.408 1.00 0.00 O ATOM 0 H ASP A 30 -3.526 6.907 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.308 9.474 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.582 6.962 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.844 8.177 -8.213 1.00 0.00 H new ATOM 426 N GLY A 31 -5.197 9.152 -5.189 1.00 0.00 N ATOM 427 CA GLY A 31 -6.141 9.792 -4.289 1.00 0.00 C ATOM 428 C GLY A 31 -5.410 10.594 -3.209 1.00 0.00 C ATOM 429 O GLY A 31 -4.647 11.508 -3.519 1.00 0.00 O ATOM 0 H GLY A 31 -4.674 8.379 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.799 10.452 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.773 9.037 -3.821 1.00 0.00 H new ATOM 433 N GLY A 32 -5.670 10.222 -1.964 1.00 0.00 N ATOM 434 CA GLY A 32 -5.047 10.895 -0.837 1.00 0.00 C ATOM 435 C GLY A 32 -5.526 10.301 0.489 1.00 0.00 C ATOM 436 O GLY A 32 -5.632 9.084 0.625 1.00 0.00 O ATOM 0 H GLY A 32 -6.303 9.464 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.963 10.806 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.282 11.959 -0.869 1.00 0.00 H new ATOM 440 N PRO A 33 -5.809 11.213 1.458 1.00 0.00 N ATOM 441 CA PRO A 33 -6.274 10.792 2.768 1.00 0.00 C ATOM 442 C PRO A 33 -7.736 10.344 2.714 1.00 0.00 C ATOM 443 O PRO A 33 -8.297 9.919 3.722 1.00 0.00 O ATOM 444 CB PRO A 33 -6.054 11.996 3.669 1.00 0.00 C ATOM 445 CG PRO A 33 -5.911 13.191 2.741 1.00 0.00 C ATOM 446 CD PRO A 33 -5.694 12.663 1.332 1.00 0.00 C ATOM 0 HA PRO A 33 -5.734 9.924 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.892 12.131 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.161 11.868 4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.804 13.815 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.072 13.815 3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.437 13.061 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.715 12.951 0.948 1.00 0.00 H new ATOM 454 N GLU A 34 -8.312 10.456 1.526 1.00 0.00 N ATOM 455 CA GLU A 34 -9.698 10.069 1.326 1.00 0.00 C ATOM 456 C GLU A 34 -9.777 8.634 0.801 1.00 0.00 C ATOM 457 O GLU A 34 -10.578 7.835 1.286 1.00 0.00 O ATOM 458 CB GLU A 34 -10.408 11.039 0.380 1.00 0.00 C ATOM 459 CG GLU A 34 -11.924 10.841 0.429 1.00 0.00 C ATOM 460 CD GLU A 34 -12.559 11.136 -0.932 1.00 0.00 C ATOM 461 OE1 GLU A 34 -12.640 10.184 -1.738 1.00 0.00 O ATOM 462 OE2 GLU A 34 -12.950 12.305 -1.135 1.00 0.00 O ATOM 0 H GLU A 34 -7.844 10.809 0.692 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.209 10.113 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.163 12.065 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.050 10.887 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.151 9.817 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.356 11.496 1.186 1.00 0.00 H new ATOM 469 N VAL A 35 -8.936 8.350 -0.182 1.00 0.00 N ATOM 470 CA VAL A 35 -8.901 7.025 -0.778 1.00 0.00 C ATOM 471 C VAL A 35 -8.395 6.018 0.256 1.00 0.00 C ATOM 472 O VAL A 35 -8.931 4.917 0.369 1.00 0.00 O ATOM 473 CB VAL A 35 -8.057 7.047 -2.054 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.563 7.010 -1.723 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.441 5.897 -2.986 1.00 0.00 C ATOM 0 H VAL A 35 -8.273 9.015 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.903 6.713 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.262 7.982 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.985 7.027 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.303 7.878 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.336 6.099 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.826 5.936 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.279 4.947 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.492 5.987 -3.261 1.00 0.00 H new ATOM 485 N GLU A 36 -7.370 6.433 0.986 1.00 0.00 N ATOM 486 CA GLU A 36 -6.786 5.581 2.008 1.00 0.00 C ATOM 487 C GLU A 36 -7.826 5.246 3.079 1.00 0.00 C ATOM 488 O GLU A 36 -7.619 4.346 3.891 1.00 0.00 O ATOM 489 CB GLU A 36 -5.551 6.237 2.629 1.00 0.00 C ATOM 490 CG GLU A 36 -5.916 6.991 3.909 1.00 0.00 C ATOM 491 CD GLU A 36 -4.682 7.649 4.528 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.245 8.678 3.967 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.202 7.109 5.549 1.00 0.00 O ATOM 0 H GLU A 36 -6.929 7.348 0.890 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.465 4.651 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.804 5.476 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.101 6.925 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.665 7.751 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.364 6.303 4.626 1.00 0.00 H new ATOM 500 N THR A 37 -8.922 5.990 3.046 1.00 0.00 N ATOM 501 CA THR A 37 -9.995 5.783 4.003 1.00 0.00 C ATOM 502 C THR A 37 -11.035 4.813 3.439 1.00 0.00 C ATOM 503 O THR A 37 -11.301 3.769 4.032 1.00 0.00 O ATOM 504 CB THR A 37 -10.575 7.152 4.366 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.600 7.724 5.233 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.830 7.045 5.235 1.00 0.00 C ATOM 0 H THR A 37 -9.090 6.737 2.372 1.00 0.00 H new ATOM 0 HA THR A 37 -9.625 5.317 4.916 1.00 0.00 H new ATOM 0 HB THR A 37 -10.811 7.699 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.141 8.457 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.201 8.044 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.598 6.487 4.699 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.587 6.527 6.163 1.00 0.00 H new ATOM 514 N ILE A 38 -11.594 5.193 2.299 1.00 0.00 N ATOM 515 CA ILE A 38 -12.599 4.369 1.648 1.00 0.00 C ATOM 516 C ILE A 38 -11.953 3.068 1.169 1.00 0.00 C ATOM 517 O ILE A 38 -12.519 1.989 1.341 1.00 0.00 O ATOM 518 CB ILE A 38 -13.297 5.155 0.536 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.159 6.278 1.117 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.104 4.223 -0.370 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.412 7.613 1.087 1.00 0.00 C ATOM 0 H ILE A 38 -11.370 6.060 1.810 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.383 4.095 2.354 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.532 5.624 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.085 6.362 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.436 6.035 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.590 4.807 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.437 3.491 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.861 3.707 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.046 8.394 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.499 7.532 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.158 7.865 0.057 1.00 0.00 H new ATOM 533 N ALA A 39 -10.777 3.212 0.576 1.00 0.00 N ATOM 534 CA ALA A 39 -10.047 2.061 0.071 1.00 0.00 C ATOM 535 C ALA A 39 -9.810 1.071 1.213 1.00 0.00 C ATOM 536 O ALA A 39 -9.943 -0.138 1.030 1.00 0.00 O ATOM 537 CB ALA A 39 -8.743 2.528 -0.577 1.00 0.00 C ATOM 0 H ALA A 39 -10.311 4.108 0.434 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.625 1.546 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.195 1.665 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.968 3.205 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.134 3.047 0.163 1.00 0.00 H new ATOM 543 N LEU A 40 -9.463 1.621 2.368 1.00 0.00 N ATOM 544 CA LEU A 40 -9.205 0.802 3.540 1.00 0.00 C ATOM 545 C LEU A 40 -10.536 0.338 4.135 1.00 0.00 C ATOM 546 O LEU A 40 -10.598 -0.696 4.797 1.00 0.00 O ATOM 547 CB LEU A 40 -8.316 1.552 4.533 1.00 0.00 C ATOM 548 CG LEU A 40 -6.880 1.822 4.076 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.118 2.642 5.119 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.159 0.517 3.735 1.00 0.00 C ATOM 0 H LEU A 40 -9.355 2.624 2.517 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.649 -0.094 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.788 2.507 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.280 0.981 5.461 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.918 2.417 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.101 2.820 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.622 3.597 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.088 2.094 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.141 0.737 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.130 -0.124 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.691 0.007 2.932 1.00 0.00 H new ATOM 562 N GLN A 41 -11.570 1.127 3.878 1.00 0.00 N ATOM 563 CA GLN A 41 -12.896 0.810 4.380 1.00 0.00 C ATOM 564 C GLN A 41 -13.573 -0.223 3.477 1.00 0.00 C ATOM 565 O GLN A 41 -14.524 -0.885 3.889 1.00 0.00 O ATOM 566 CB GLN A 41 -13.751 2.073 4.504 1.00 0.00 C ATOM 567 CG GLN A 41 -13.918 2.479 5.970 1.00 0.00 C ATOM 568 CD GLN A 41 -13.978 4.002 6.113 1.00 0.00 C ATOM 569 OE1 GLN A 41 -14.206 4.732 5.163 1.00 0.00 O ATOM 570 NE2 GLN A 41 -13.760 4.437 7.351 1.00 0.00 N ATOM 0 H GLN A 41 -11.516 1.985 3.329 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.793 0.380 5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.286 2.887 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.730 1.899 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.829 2.036 6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.087 2.087 6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.575 3.770 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.778 5.437 7.551 1.00 0.00 H new ATOM 579 N ASN A 42 -13.055 -0.329 2.262 1.00 0.00 N ATOM 580 CA ASN A 42 -13.598 -1.271 1.297 1.00 0.00 C ATOM 581 C ASN A 42 -12.836 -2.594 1.399 1.00 0.00 C ATOM 582 O ASN A 42 -13.440 -3.649 1.588 1.00 0.00 O ATOM 583 CB ASN A 42 -13.444 -0.745 -0.132 1.00 0.00 C ATOM 584 CG ASN A 42 -14.767 -0.185 -0.656 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.825 -0.773 -0.500 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.650 0.982 -1.283 1.00 0.00 N ATOM 0 H ASN A 42 -12.266 0.221 1.924 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.656 -1.409 1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.681 0.033 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.102 -1.549 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.476 1.439 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.734 1.420 -1.379 1.00 0.00 H new ATOM 593 N ASN A 43 -11.522 -2.495 1.269 1.00 0.00 N ATOM 594 CA ASN A 43 -10.672 -3.671 1.344 1.00 0.00 C ATOM 595 C ASN A 43 -11.018 -4.466 2.605 1.00 0.00 C ATOM 596 O ASN A 43 -10.785 -5.672 2.666 1.00 0.00 O ATOM 597 CB ASN A 43 -9.195 -3.279 1.423 1.00 0.00 C ATOM 598 CG ASN A 43 -8.714 -2.683 0.098 1.00 0.00 C ATOM 599 OD1 ASN A 43 -7.952 -1.602 0.237 1.00 0.00 O flip ATOM 600 ND2 ASN A 43 -9.015 -3.173 -0.978 1.00 0.00 N flip ATOM 0 H ASN A 43 -11.025 -1.618 1.112 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.840 -4.266 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.049 -2.556 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.595 -4.155 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.604 -4.005 -1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.677 -2.751 -1.843 1.00 0.00 H new ATOM 607 N ARG A 44 -11.569 -3.757 3.579 1.00 0.00 N ATOM 608 CA ARG A 44 -11.950 -4.381 4.835 1.00 0.00 C ATOM 609 C ARG A 44 -12.697 -5.690 4.572 1.00 0.00 C ATOM 610 O ARG A 44 -12.402 -6.712 5.190 1.00 0.00 O ATOM 611 CB ARG A 44 -12.838 -3.452 5.665 1.00 0.00 C ATOM 612 CG ARG A 44 -11.994 -2.513 6.529 1.00 0.00 C ATOM 613 CD ARG A 44 -11.898 -3.030 7.966 1.00 0.00 C ATOM 614 NE ARG A 44 -13.063 -2.565 8.750 1.00 0.00 N ATOM 615 CZ ARG A 44 -13.490 -3.147 9.879 1.00 0.00 C ATOM 616 NH1 ARG A 44 -12.849 -4.219 10.363 1.00 0.00 N ATOM 617 NH2 ARG A 44 -14.557 -2.657 10.524 1.00 0.00 N ATOM 0 H ARG A 44 -11.761 -2.757 3.524 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.037 -4.586 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.477 -2.867 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.496 -4.044 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.994 -2.422 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.434 -1.516 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.860 -4.119 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.975 -2.678 8.427 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.573 -1.750 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.036 -4.592 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.174 -4.662 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.045 -1.840 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.882 -3.100 11.383 1.00 0.00 H new ATOM 631 N GLU A 45 -13.650 -5.616 3.655 1.00 0.00 N ATOM 632 CA GLU A 45 -14.442 -6.782 3.302 1.00 0.00 C ATOM 633 C GLU A 45 -13.622 -7.739 2.434 1.00 0.00 C ATOM 634 O GLU A 45 -13.675 -8.953 2.622 1.00 0.00 O ATOM 635 CB GLU A 45 -15.736 -6.374 2.596 1.00 0.00 C ATOM 636 CG GLU A 45 -16.784 -5.898 3.604 1.00 0.00 C ATOM 637 CD GLU A 45 -18.194 -6.003 3.019 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.596 -5.041 2.329 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.839 -7.043 3.275 1.00 0.00 O ATOM 0 H GLU A 45 -13.892 -4.766 3.145 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.717 -7.301 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.528 -5.579 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.128 -7.219 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.718 -6.496 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.579 -4.865 3.887 1.00 0.00 H new ATOM 646 N ASN A 46 -12.882 -7.154 1.503 1.00 0.00 N ATOM 647 CA ASN A 46 -12.052 -7.939 0.605 1.00 0.00 C ATOM 648 C ASN A 46 -10.952 -8.633 1.411 1.00 0.00 C ATOM 649 O ASN A 46 -10.277 -8.000 2.221 1.00 0.00 O ATOM 650 CB ASN A 46 -11.380 -7.050 -0.443 1.00 0.00 C ATOM 651 CG ASN A 46 -12.396 -6.555 -1.474 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.953 -5.475 -1.366 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.605 -7.402 -2.477 1.00 0.00 N ATOM 0 H ASN A 46 -12.840 -6.146 1.351 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.691 -8.666 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.908 -6.198 0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.589 -7.607 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.265 -7.163 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.105 -8.291 -2.507 1.00 0.00 H new ATOM 660 N GLN A 47 -10.805 -9.926 1.161 1.00 0.00 N ATOM 661 CA GLN A 47 -9.799 -10.713 1.853 1.00 0.00 C ATOM 662 C GLN A 47 -8.473 -10.669 1.090 1.00 0.00 C ATOM 663 O GLN A 47 -7.404 -10.647 1.698 1.00 0.00 O ATOM 664 CB GLN A 47 -10.270 -12.155 2.050 1.00 0.00 C ATOM 665 CG GLN A 47 -9.615 -12.783 3.282 1.00 0.00 C ATOM 666 CD GLN A 47 -9.786 -14.304 3.279 1.00 0.00 C ATOM 667 OE1 GLN A 47 -10.331 -14.891 2.359 1.00 0.00 O ATOM 668 NE2 GLN A 47 -9.293 -14.905 4.357 1.00 0.00 N ATOM 0 H GLN A 47 -11.366 -10.448 0.488 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.643 -10.279 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.354 -12.175 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.028 -12.744 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.554 -12.533 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.058 -12.365 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.849 -14.353 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.359 -15.919 4.451 1.00 0.00 H new ATOM 677 N ALA A 48 -8.587 -10.656 -0.230 1.00 0.00 N ATOM 678 CA ALA A 48 -7.410 -10.615 -1.082 1.00 0.00 C ATOM 679 C ALA A 48 -6.433 -9.568 -0.543 1.00 0.00 C ATOM 680 O ALA A 48 -5.265 -9.870 -0.303 1.00 0.00 O ATOM 681 CB ALA A 48 -7.834 -10.329 -2.524 1.00 0.00 C ATOM 0 H ALA A 48 -9.476 -10.673 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.898 -11.577 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.952 -10.298 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.505 -11.116 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.348 -9.369 -2.568 1.00 0.00 H new ATOM 687 N PHE A 49 -6.946 -8.359 -0.370 1.00 0.00 N ATOM 688 CA PHE A 49 -6.133 -7.266 0.136 1.00 0.00 C ATOM 689 C PHE A 49 -5.776 -7.484 1.608 1.00 0.00 C ATOM 690 O PHE A 49 -6.173 -6.700 2.469 1.00 0.00 O ATOM 691 CB PHE A 49 -6.969 -5.991 0.009 1.00 0.00 C ATOM 692 CG PHE A 49 -7.280 -5.592 -1.434 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.267 -5.304 -2.294 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.571 -5.524 -1.858 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.556 -4.934 -3.634 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.860 -5.154 -3.198 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.846 -4.866 -4.058 1.00 0.00 C ATOM 0 H PHE A 49 -7.915 -8.112 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.203 -7.201 -0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.907 -6.129 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.440 -5.172 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.242 -5.357 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.376 -5.752 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.751 -4.706 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.885 -5.101 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.066 -4.583 -5.077 1.00 0.00 H new ATOM 707 N SER A 50 -5.030 -8.552 1.851 1.00 0.00 N ATOM 708 CA SER A 50 -4.615 -8.882 3.203 1.00 0.00 C ATOM 709 C SER A 50 -3.213 -8.331 3.470 1.00 0.00 C ATOM 710 O SER A 50 -2.799 -8.207 4.621 1.00 0.00 O ATOM 711 CB SER A 50 -4.644 -10.395 3.434 1.00 0.00 C ATOM 712 OG SER A 50 -3.833 -11.094 2.494 1.00 0.00 O ATOM 0 H SER A 50 -4.703 -9.200 1.134 1.00 0.00 H new ATOM 0 HA SER A 50 -5.317 -8.422 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.299 -10.614 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.671 -10.753 3.363 1.00 0.00 H new ATOM 0 HG SER A 50 -3.877 -12.056 2.676 1.00 0.00 H new ATOM 718 N PHE A 51 -2.520 -8.015 2.385 1.00 0.00 N ATOM 719 CA PHE A 51 -1.173 -7.480 2.488 1.00 0.00 C ATOM 720 C PHE A 51 -1.197 -6.016 2.929 1.00 0.00 C ATOM 721 O PHE A 51 -0.147 -5.405 3.125 1.00 0.00 O ATOM 722 CB PHE A 51 -0.549 -7.570 1.093 1.00 0.00 C ATOM 723 CG PHE A 51 -1.176 -6.622 0.069 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.760 -5.330 -0.006 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.151 -7.073 -0.767 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.342 -4.451 -0.957 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.733 -6.193 -1.717 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.316 -4.901 -1.793 1.00 0.00 C ATOM 0 H PHE A 51 -2.866 -8.119 1.431 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.603 -8.044 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.517 -7.354 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.642 -8.594 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.013 -4.972 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.482 -8.099 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.011 -3.425 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.507 -6.550 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.758 -4.232 -2.517 1.00 0.00 H new ATOM 738 N LEU A 52 -2.406 -5.494 3.074 1.00 0.00 N ATOM 739 CA LEU A 52 -2.580 -4.113 3.489 1.00 0.00 C ATOM 740 C LEU A 52 -2.645 -4.048 5.016 1.00 0.00 C ATOM 741 O LEU A 52 -2.462 -2.983 5.604 1.00 0.00 O ATOM 742 CB LEU A 52 -3.796 -3.494 2.795 1.00 0.00 C ATOM 743 CG LEU A 52 -3.714 -3.383 1.271 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.039 -2.892 0.685 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.538 -2.500 0.848 1.00 0.00 C ATOM 0 H LEU A 52 -3.275 -6.003 2.911 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.725 -3.512 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.675 -4.086 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.954 -2.496 3.204 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.532 -4.378 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.954 -2.822 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.833 -3.594 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.276 -1.910 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.502 -2.438 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.665 -1.501 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.608 -2.932 1.217 1.00 0.00 H new ATOM 757 N TYR A 53 -2.907 -5.200 5.615 1.00 0.00 N ATOM 758 CA TYR A 53 -2.998 -5.288 7.063 1.00 0.00 C ATOM 759 C TYR A 53 -1.828 -6.087 7.638 1.00 0.00 C ATOM 760 O TYR A 53 -1.084 -5.587 8.481 1.00 0.00 O ATOM 761 CB TYR A 53 -4.302 -6.031 7.359 1.00 0.00 C ATOM 762 CG TYR A 53 -5.440 -5.701 6.391 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.799 -4.386 6.170 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.108 -6.717 5.739 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.870 -4.075 5.259 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.180 -6.406 4.828 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.507 -5.101 4.633 1.00 0.00 C ATOM 768 OH TYR A 53 -8.519 -4.807 3.772 1.00 0.00 O ATOM 0 H TYR A 53 -3.059 -6.081 5.124 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.972 -4.294 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.112 -7.104 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.621 -5.793 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.276 -3.591 6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.827 -7.746 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.161 -3.051 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.712 -7.192 4.312 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.082 -5.599 3.646 1.00 0.00 H new ATOM 778 N ASP A 54 -1.700 -7.317 7.161 1.00 0.00 N ATOM 779 CA ASP A 54 -0.633 -8.190 7.618 1.00 0.00 C ATOM 780 C ASP A 54 0.717 -7.518 7.357 1.00 0.00 C ATOM 781 O ASP A 54 1.119 -7.351 6.206 1.00 0.00 O ATOM 782 CB ASP A 54 -0.651 -9.522 6.865 1.00 0.00 C ATOM 783 CG ASP A 54 -1.502 -10.617 7.510 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.834 -10.449 8.704 1.00 0.00 O ATOM 785 OD2 ASP A 54 -1.802 -11.598 6.796 1.00 0.00 O ATOM 0 H ASP A 54 -2.318 -7.729 6.462 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.781 -8.375 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.018 -9.346 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.373 -9.885 6.774 1.00 0.00 H new ATOM 790 N PRO A 55 1.397 -7.142 8.473 1.00 0.00 N ATOM 791 CA PRO A 55 2.693 -6.492 8.376 1.00 0.00 C ATOM 792 C PRO A 55 3.785 -7.499 8.008 1.00 0.00 C ATOM 793 O PRO A 55 4.506 -7.308 7.030 1.00 0.00 O ATOM 794 CB PRO A 55 2.912 -5.847 9.735 1.00 0.00 C ATOM 795 CG PRO A 55 1.955 -6.545 10.687 1.00 0.00 C ATOM 796 CD PRO A 55 0.951 -7.324 9.851 1.00 0.00 C ATOM 0 HA PRO A 55 2.731 -5.744 7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.945 -5.967 10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.712 -4.776 9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.499 -7.215 11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.444 -5.817 11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.939 -8.378 10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.061 -6.945 9.993 1.00 0.00 H new ATOM 804 N ASN A 56 3.873 -8.548 8.812 1.00 0.00 N ATOM 805 CA ASN A 56 4.864 -9.585 8.584 1.00 0.00 C ATOM 806 C ASN A 56 4.929 -9.902 7.089 1.00 0.00 C ATOM 807 O ASN A 56 5.975 -10.305 6.581 1.00 0.00 O ATOM 808 CB ASN A 56 4.496 -10.872 9.325 1.00 0.00 C ATOM 809 CG ASN A 56 5.504 -11.172 10.436 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.706 -11.201 10.229 1.00 0.00 O ATOM 811 ND2 ASN A 56 4.949 -11.394 11.624 1.00 0.00 N ATOM 0 H ASN A 56 3.274 -8.702 9.623 1.00 0.00 H new ATOM 0 HA ASN A 56 5.824 -9.220 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.497 -10.778 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.465 -11.705 8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.537 -11.604 12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.935 -11.354 11.729 1.00 0.00 H new ATOM 818 N SER A 57 3.798 -9.709 6.426 1.00 0.00 N ATOM 819 CA SER A 57 3.714 -9.970 4.999 1.00 0.00 C ATOM 820 C SER A 57 4.468 -8.888 4.224 1.00 0.00 C ATOM 821 O SER A 57 4.028 -7.741 4.165 1.00 0.00 O ATOM 822 CB SER A 57 2.257 -10.036 4.537 1.00 0.00 C ATOM 823 OG SER A 57 2.141 -10.528 3.204 1.00 0.00 O ATOM 0 H SER A 57 2.933 -9.375 6.850 1.00 0.00 H new ATOM 0 HA SER A 57 4.175 -10.938 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.692 -10.679 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.812 -9.043 4.597 1.00 0.00 H new ATOM 0 HG SER A 57 1.196 -10.557 2.947 1.00 0.00 H new ATOM 829 N GLN A 58 5.591 -9.291 3.648 1.00 0.00 N ATOM 830 CA GLN A 58 6.410 -8.370 2.879 1.00 0.00 C ATOM 831 C GLN A 58 5.533 -7.529 1.948 1.00 0.00 C ATOM 832 O GLN A 58 5.874 -6.392 1.629 1.00 0.00 O ATOM 833 CB GLN A 58 7.485 -9.121 2.089 1.00 0.00 C ATOM 834 CG GLN A 58 8.607 -9.602 3.011 1.00 0.00 C ATOM 835 CD GLN A 58 8.544 -11.118 3.206 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.117 -11.864 2.341 1.00 0.00 O ATOM 837 NE2 GLN A 58 8.993 -11.530 4.389 1.00 0.00 N ATOM 0 H GLN A 58 5.953 -10.243 3.699 1.00 0.00 H new ATOM 0 HA GLN A 58 6.917 -7.699 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.037 -9.974 1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.897 -8.469 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.573 -9.326 2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.527 -9.104 3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.337 -10.851 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.993 -12.524 4.616 1.00 0.00 H new ATOM 846 N GLY A 59 4.421 -8.122 1.540 1.00 0.00 N ATOM 847 CA GLY A 59 3.493 -7.442 0.653 1.00 0.00 C ATOM 848 C GLY A 59 3.205 -6.022 1.146 1.00 0.00 C ATOM 849 O GLY A 59 3.242 -5.071 0.366 1.00 0.00 O ATOM 0 H GLY A 59 4.142 -9.066 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.908 -7.404 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.562 -8.006 0.593 1.00 0.00 H new ATOM 853 N TYR A 60 2.923 -5.924 2.437 1.00 0.00 N ATOM 854 CA TYR A 60 2.629 -4.636 3.042 1.00 0.00 C ATOM 855 C TYR A 60 3.753 -3.634 2.774 1.00 0.00 C ATOM 856 O TYR A 60 3.494 -2.477 2.448 1.00 0.00 O ATOM 857 CB TYR A 60 2.537 -4.889 4.548 1.00 0.00 C ATOM 858 CG TYR A 60 2.273 -3.630 5.376 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.056 -2.986 5.285 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.253 -3.138 6.215 1.00 0.00 C ATOM 861 CE1 TYR A 60 0.808 -1.801 6.064 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.005 -1.953 6.994 1.00 0.00 C ATOM 863 CZ TYR A 60 1.794 -1.343 6.880 1.00 0.00 C ATOM 864 OH TYR A 60 1.560 -0.223 7.616 1.00 0.00 O ATOM 0 H TYR A 60 2.892 -6.715 3.080 1.00 0.00 H new ATOM 0 HA TYR A 60 1.709 -4.220 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.741 -5.609 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.467 -5.346 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.289 -3.371 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.205 -3.642 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.140 -1.287 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.763 -1.557 7.654 1.00 0.00 H new ATOM 0 HH TYR A 60 2.352 -0.013 8.153 1.00 0.00 H new ATOM 874 N ARG A 61 4.979 -4.115 2.921 1.00 0.00 N ATOM 875 CA ARG A 61 6.144 -3.276 2.698 1.00 0.00 C ATOM 876 C ARG A 61 6.197 -2.816 1.240 1.00 0.00 C ATOM 877 O ARG A 61 6.055 -1.628 0.954 1.00 0.00 O ATOM 878 CB ARG A 61 7.435 -4.024 3.036 1.00 0.00 C ATOM 879 CG ARG A 61 7.601 -4.175 4.550 1.00 0.00 C ATOM 880 CD ARG A 61 8.391 -5.440 4.892 1.00 0.00 C ATOM 881 NE ARG A 61 9.040 -5.290 6.213 1.00 0.00 N ATOM 882 CZ ARG A 61 8.380 -5.292 7.379 1.00 0.00 C ATOM 883 NH1 ARG A 61 7.048 -5.437 7.395 1.00 0.00 N ATOM 884 NH2 ARG A 61 9.052 -5.149 8.530 1.00 0.00 N ATOM 0 H ARG A 61 5.191 -5.075 3.192 1.00 0.00 H new ATOM 0 HA ARG A 61 6.057 -2.409 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.422 -5.008 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.289 -3.486 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.115 -3.302 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.621 -4.215 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.725 -6.303 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.144 -5.626 4.127 1.00 0.00 H new ATOM 0 HE ARG A 61 10.054 -5.178 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.536 -5.546 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.546 -5.439 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.066 -5.039 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.549 -5.151 9.418 1.00 0.00 H new ATOM 898 N TYR A 62 6.400 -3.781 0.355 1.00 0.00 N ATOM 899 CA TYR A 62 6.473 -3.491 -1.066 1.00 0.00 C ATOM 900 C TYR A 62 5.336 -2.561 -1.495 1.00 0.00 C ATOM 901 O TYR A 62 5.502 -1.748 -2.403 1.00 0.00 O ATOM 902 CB TYR A 62 6.314 -4.834 -1.780 1.00 0.00 C ATOM 903 CG TYR A 62 5.903 -4.714 -3.249 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.636 -4.278 -3.577 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.800 -5.041 -4.246 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.249 -4.165 -4.960 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.413 -4.928 -5.628 1.00 0.00 C ATOM 908 CZ TYR A 62 5.157 -4.495 -5.917 1.00 0.00 C ATOM 909 OH TYR A 62 4.791 -4.388 -7.222 1.00 0.00 O ATOM 0 H TYR A 62 6.516 -4.765 0.595 1.00 0.00 H new ATOM 0 HA TYR A 62 7.414 -2.998 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.256 -5.379 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.568 -5.428 -1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.934 -4.021 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.792 -5.382 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.260 -3.826 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.105 -5.182 -6.418 1.00 0.00 H new ATOM 0 HH TYR A 62 3.833 -4.575 -7.310 1.00 0.00 H new ATOM 919 N TYR A 63 4.205 -2.712 -0.821 1.00 0.00 N ATOM 920 CA TYR A 63 3.041 -1.897 -1.120 1.00 0.00 C ATOM 921 C TYR A 63 3.271 -0.441 -0.711 1.00 0.00 C ATOM 922 O TYR A 63 2.962 0.477 -1.469 1.00 0.00 O ATOM 923 CB TYR A 63 1.896 -2.474 -0.286 1.00 0.00 C ATOM 924 CG TYR A 63 0.802 -1.460 0.056 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.213 -1.210 -0.844 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.832 -0.794 1.265 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.242 -0.256 -0.522 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.197 0.160 1.587 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.183 0.383 0.677 1.00 0.00 C ATOM 930 OH TYR A 63 -2.155 1.284 0.981 1.00 0.00 O ATOM 0 H TYR A 63 4.071 -3.387 -0.068 1.00 0.00 H new ATOM 0 HA TYR A 63 2.828 -1.911 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.448 -3.306 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.303 -2.880 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.236 -1.730 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.627 -0.989 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.043 -0.052 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.186 0.687 2.530 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.985 1.661 1.869 1.00 0.00 H new ATOM 940 N ARG A 64 3.812 -0.275 0.487 1.00 0.00 N ATOM 941 CA ARG A 64 4.087 1.054 1.006 1.00 0.00 C ATOM 942 C ARG A 64 5.046 1.799 0.076 1.00 0.00 C ATOM 943 O ARG A 64 4.802 2.951 -0.280 1.00 0.00 O ATOM 944 CB ARG A 64 4.700 0.982 2.407 1.00 0.00 C ATOM 945 CG ARG A 64 3.610 0.959 3.481 1.00 0.00 C ATOM 946 CD ARG A 64 3.496 2.318 4.175 1.00 0.00 C ATOM 947 NE ARG A 64 4.729 2.598 4.945 1.00 0.00 N ATOM 948 CZ ARG A 64 5.084 3.816 5.378 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.302 4.873 5.119 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.220 3.976 6.069 1.00 0.00 N ATOM 0 H ARG A 64 4.067 -1.039 1.113 1.00 0.00 H new ATOM 0 HA ARG A 64 3.140 1.590 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.318 0.088 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.355 1.839 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.654 0.696 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.836 0.188 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.334 3.101 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.633 2.325 4.840 1.00 0.00 H new ATOM 0 HE ARG A 64 5.347 1.815 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.437 4.751 4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.572 5.800 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.815 3.171 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.490 4.903 6.399 1.00 0.00 H new ATOM 964 N GLN A 65 6.117 1.112 -0.292 1.00 0.00 N ATOM 965 CA GLN A 65 7.114 1.694 -1.175 1.00 0.00 C ATOM 966 C GLN A 65 6.438 2.340 -2.386 1.00 0.00 C ATOM 967 O GLN A 65 6.629 3.526 -2.649 1.00 0.00 O ATOM 968 CB GLN A 65 8.138 0.646 -1.613 1.00 0.00 C ATOM 969 CG GLN A 65 9.505 1.286 -1.864 1.00 0.00 C ATOM 970 CD GLN A 65 10.479 0.277 -2.475 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.227 -0.915 -2.527 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.603 0.820 -2.935 1.00 0.00 N ATOM 0 H GLN A 65 6.317 0.157 0.005 1.00 0.00 H new ATOM 0 HA GLN A 65 7.649 2.469 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.228 -0.123 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.792 0.151 -2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.394 2.140 -2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.910 1.666 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.751 1.826 -2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.317 0.230 -3.363 1.00 0.00 H new ATOM 981 N LYS A 66 5.662 1.530 -3.092 1.00 0.00 N ATOM 982 CA LYS A 66 4.956 2.007 -4.269 1.00 0.00 C ATOM 983 C LYS A 66 4.172 3.271 -3.911 1.00 0.00 C ATOM 984 O LYS A 66 4.141 4.227 -4.684 1.00 0.00 O ATOM 985 CB LYS A 66 4.091 0.894 -4.863 1.00 0.00 C ATOM 986 CG LYS A 66 4.959 -0.223 -5.446 1.00 0.00 C ATOM 987 CD LYS A 66 5.593 0.209 -6.770 1.00 0.00 C ATOM 988 CE LYS A 66 6.587 -0.840 -7.270 1.00 0.00 C ATOM 989 NZ LYS A 66 7.837 -0.788 -6.480 1.00 0.00 N ATOM 0 H LYS A 66 5.507 0.546 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 66 5.663 2.281 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.437 0.486 -4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.449 1.304 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.740 -0.490 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.353 -1.115 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.814 0.362 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.102 1.164 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.144 -1.833 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.808 -0.667 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.554 -1.396 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.186 0.191 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.651 -1.123 -5.513 1.00 0.00 H new ATOM 1003 N LEU A 67 3.557 3.235 -2.737 1.00 0.00 N ATOM 1004 CA LEU A 67 2.775 4.365 -2.267 1.00 0.00 C ATOM 1005 C LEU A 67 3.632 5.631 -2.321 1.00 0.00 C ATOM 1006 O LEU A 67 3.239 6.627 -2.927 1.00 0.00 O ATOM 1007 CB LEU A 67 2.192 4.075 -0.882 1.00 0.00 C ATOM 1008 CG LEU A 67 0.904 4.820 -0.527 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.155 4.635 -1.615 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.390 4.399 0.851 1.00 0.00 C ATOM 0 H LEU A 67 3.585 2.441 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 67 1.918 4.532 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.001 3.004 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.947 4.318 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 67 1.129 5.885 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.060 5.175 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.223 5.023 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.384 3.575 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.526 4.943 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.186 3.328 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.144 4.625 1.605 1.00 0.00 H new ATOM 1022 N ASP A 68 4.788 5.552 -1.679 1.00 0.00 N ATOM 1023 CA ASP A 68 5.705 6.679 -1.646 1.00 0.00 C ATOM 1024 C ASP A 68 6.285 6.900 -3.044 1.00 0.00 C ATOM 1025 O ASP A 68 6.398 8.037 -3.500 1.00 0.00 O ATOM 1026 CB ASP A 68 6.868 6.415 -0.688 1.00 0.00 C ATOM 1027 CG ASP A 68 7.475 7.665 -0.047 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.279 8.753 -0.630 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.120 7.504 1.011 1.00 0.00 O ATOM 0 H ASP A 68 5.111 4.725 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 68 5.151 7.555 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.523 5.750 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.652 5.886 -1.230 1.00 0.00 H new ATOM 1034 N GLU A 69 6.636 5.796 -3.686 1.00 0.00 N ATOM 1035 CA GLU A 69 7.201 5.855 -5.023 1.00 0.00 C ATOM 1036 C GLU A 69 6.332 6.729 -5.929 1.00 0.00 C ATOM 1037 O GLU A 69 6.825 7.668 -6.551 1.00 0.00 O ATOM 1038 CB GLU A 69 7.368 4.452 -5.611 1.00 0.00 C ATOM 1039 CG GLU A 69 8.813 4.210 -6.050 1.00 0.00 C ATOM 1040 CD GLU A 69 9.634 3.589 -4.918 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.632 2.342 -4.833 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.245 4.376 -4.163 1.00 0.00 O ATOM 0 H GLU A 69 6.540 4.855 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 69 8.191 6.306 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.080 3.707 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.700 4.329 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.827 3.551 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.266 5.152 -6.358 1.00 0.00 H new ATOM 1049 N PHE A 70 5.052 6.389 -5.974 1.00 0.00 N ATOM 1050 CA PHE A 70 4.109 7.131 -6.794 1.00 0.00 C ATOM 1051 C PHE A 70 3.873 8.532 -6.226 1.00 0.00 C ATOM 1052 O PHE A 70 3.976 9.523 -6.947 1.00 0.00 O ATOM 1053 CB PHE A 70 2.790 6.355 -6.771 1.00 0.00 C ATOM 1054 CG PHE A 70 2.915 4.901 -7.229 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.937 4.531 -8.047 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.005 3.978 -6.817 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.053 3.181 -8.472 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.122 2.628 -7.242 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.143 2.258 -8.060 1.00 0.00 C ATOM 0 H PHE A 70 4.646 5.610 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 70 4.500 7.239 -7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.388 6.373 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.069 6.865 -7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.660 5.264 -8.373 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.194 4.272 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.864 2.887 -9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.399 1.895 -6.915 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.231 1.231 -8.383 1.00 0.00 H new ATOM 1069 N ARG A 71 3.561 8.569 -4.939 1.00 0.00 N ATOM 1070 CA ARG A 71 3.309 9.832 -4.266 1.00 0.00 C ATOM 1071 C ARG A 71 4.606 10.634 -4.141 1.00 0.00 C ATOM 1072 O ARG A 71 5.056 10.925 -3.034 1.00 0.00 O ATOM 1073 CB ARG A 71 2.722 9.605 -2.871 1.00 0.00 C ATOM 1074 CG ARG A 71 1.257 9.170 -2.958 1.00 0.00 C ATOM 1075 CD ARG A 71 0.954 8.063 -1.946 1.00 0.00 C ATOM 1076 NE ARG A 71 -0.462 8.140 -1.521 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.963 9.114 -0.750 1.00 0.00 C ATOM 1078 NH1 ARG A 71 -0.167 10.100 -0.314 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -2.260 9.103 -0.414 1.00 0.00 N ATOM 0 H ARG A 71 3.477 7.745 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 71 2.589 10.389 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.301 8.844 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.799 10.522 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.608 10.026 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.038 8.817 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.157 7.088 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.608 8.162 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.096 7.405 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.820 10.109 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.549 10.842 0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.866 8.353 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.641 9.845 0.173 1.00 0.00 H new ATOM 1093 N LYS A 72 5.170 10.969 -5.292 1.00 0.00 N ATOM 1094 CA LYS A 72 6.406 11.732 -5.326 1.00 0.00 C ATOM 1095 C LYS A 72 6.217 13.035 -4.548 1.00 0.00 C ATOM 1096 O LYS A 72 6.860 13.249 -3.521 1.00 0.00 O ATOM 1097 CB LYS A 72 6.869 11.939 -6.769 1.00 0.00 C ATOM 1098 CG LYS A 72 7.750 10.777 -7.234 1.00 0.00 C ATOM 1099 CD LYS A 72 7.540 10.491 -8.723 1.00 0.00 C ATOM 1100 CE LYS A 72 8.829 9.982 -9.370 1.00 0.00 C ATOM 1101 NZ LYS A 72 8.543 8.839 -10.266 1.00 0.00 N ATOM 0 H LYS A 72 4.794 10.726 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 72 7.208 11.180 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.002 12.028 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.424 12.874 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.798 11.014 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.518 9.885 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.750 9.751 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.209 11.398 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.301 10.786 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.535 9.678 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.429 8.506 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.113 8.067 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.886 9.140 -11.014 1.00 0.00 H new ATOM 1115 N SER A 73 5.333 13.874 -5.067 1.00 0.00 N ATOM 1116 CA SER A 73 5.051 15.151 -4.434 1.00 0.00 C ATOM 1117 C SER A 73 6.317 16.009 -4.400 1.00 0.00 C ATOM 1118 O SER A 73 7.106 15.921 -3.460 1.00 0.00 O ATOM 1119 CB SER A 73 4.504 14.956 -3.018 1.00 0.00 C ATOM 1120 OG SER A 73 3.079 14.959 -2.991 1.00 0.00 O ATOM 0 H SER A 73 4.802 13.694 -5.919 1.00 0.00 H new ATOM 0 HA SER A 73 4.288 15.662 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.872 14.013 -2.614 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.881 15.749 -2.372 1.00 0.00 H new ATOM 0 HG SER A 73 2.769 14.830 -2.070 1.00 0.00 H new ATOM 1126 N GLY A 74 6.472 16.819 -5.436 1.00 0.00 N ATOM 1127 CA GLY A 74 7.629 17.693 -5.537 1.00 0.00 C ATOM 1128 C GLY A 74 7.894 18.086 -6.992 1.00 0.00 C ATOM 1129 O GLY A 74 8.498 17.324 -7.745 1.00 0.00 O ATOM 0 H GLY A 74 5.816 16.889 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.466 18.589 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.505 17.191 -5.127 1.00 0.00 H new ATOM 1133 N PRO A 75 7.418 19.308 -7.352 1.00 0.00 N ATOM 1134 CA PRO A 75 7.598 19.812 -8.703 1.00 0.00 C ATOM 1135 C PRO A 75 9.040 20.269 -8.931 1.00 0.00 C ATOM 1136 O PRO A 75 9.697 20.748 -8.007 1.00 0.00 O ATOM 1137 CB PRO A 75 6.589 20.941 -8.839 1.00 0.00 C ATOM 1138 CG PRO A 75 6.208 21.333 -7.420 1.00 0.00 C ATOM 1139 CD PRO A 75 6.699 20.238 -6.487 1.00 0.00 C ATOM 0 HA PRO A 75 7.428 19.049 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.019 21.787 -9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.714 20.617 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.657 22.290 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.128 21.452 -7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.350 20.641 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.868 19.746 -5.982 1.00 0.00 H new ATOM 1147 N SER A 76 9.491 20.105 -10.166 1.00 0.00 N ATOM 1148 CA SER A 76 10.843 20.494 -10.527 1.00 0.00 C ATOM 1149 C SER A 76 11.855 19.614 -9.790 1.00 0.00 C ATOM 1150 O SER A 76 12.476 20.053 -8.822 1.00 0.00 O ATOM 1151 CB SER A 76 11.094 21.970 -10.212 1.00 0.00 C ATOM 1152 OG SER A 76 11.307 22.739 -11.392 1.00 0.00 O ATOM 0 H SER A 76 8.943 19.708 -10.929 1.00 0.00 H new ATOM 0 HA SER A 76 10.964 20.354 -11.601 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.242 22.374 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.963 22.059 -9.560 1.00 0.00 H new ATOM 0 HG SER A 76 11.462 23.676 -11.149 1.00 0.00 H new ATOM 1158 N SER A 77 11.991 18.389 -10.275 1.00 0.00 N ATOM 1159 CA SER A 77 12.917 17.444 -9.675 1.00 0.00 C ATOM 1160 C SER A 77 14.356 17.831 -10.020 1.00 0.00 C ATOM 1161 O SER A 77 14.733 17.853 -11.191 1.00 0.00 O ATOM 1162 CB SER A 77 12.625 16.016 -10.139 1.00 0.00 C ATOM 1163 OG SER A 77 13.285 15.046 -9.331 1.00 0.00 O ATOM 0 H SER A 77 11.475 18.029 -11.078 1.00 0.00 H new ATOM 0 HA SER A 77 12.788 17.479 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.550 15.839 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.941 15.900 -11.176 1.00 0.00 H new ATOM 0 HG SER A 77 13.072 14.147 -9.659 1.00 0.00 H new ATOM 1169 N GLY A 78 15.122 18.126 -8.979 1.00 0.00 N ATOM 1170 CA GLY A 78 16.511 18.511 -9.158 1.00 0.00 C ATOM 1171 C GLY A 78 17.437 17.629 -8.317 1.00 0.00 C ATOM 1172 O GLY A 78 18.200 16.831 -8.858 1.00 0.00 O ATOM 0 H GLY A 78 14.806 18.106 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.782 18.429 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.642 19.556 -8.875 1.00 0.00 H new TER 1176 GLY A 78