USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -1.33! C(o=-1.7!,f=-6.7!) USER MOD Set 1.2: A 27 TYR OH : rot 123:sc= -0.411 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00143 USER MOD Single : A 21 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.3!) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.029) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.0071) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.5!) USER MOD Single : A 42 MET CE :methyl -161:sc= -2.18! (180deg=-2.23!) USER MOD Single : A 43 MET CE :methyl 136:sc= -0.365 (180deg=-1.41) USER MOD Single : A 44 SER OG : rot 47:sc= 0.183 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.24) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.612 8.629 -8.821 1.00 0.00 N ATOM 2 CA GLY A 1 9.289 9.741 -8.179 1.00 0.00 C ATOM 3 C GLY A 1 8.806 11.085 -8.687 1.00 0.00 C ATOM 4 O GLY A 1 8.659 11.285 -9.893 1.00 0.00 O ATOM 0 H1 GLY A 1 8.977 7.733 -8.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.590 8.692 -8.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.783 8.664 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.132 9.685 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.362 9.656 -8.349 1.00 0.00 H new ATOM 8 N SER A 2 8.557 12.010 -7.765 1.00 0.00 N ATOM 9 CA SER A 2 8.082 13.340 -8.125 1.00 0.00 C ATOM 10 C SER A 2 8.291 14.322 -6.976 1.00 0.00 C ATOM 11 O SER A 2 8.482 13.919 -5.828 1.00 0.00 O ATOM 12 CB SER A 2 6.601 13.291 -8.506 1.00 0.00 C ATOM 13 OG SER A 2 6.273 14.327 -9.416 1.00 0.00 O ATOM 0 H SER A 2 8.677 11.862 -6.763 1.00 0.00 H new ATOM 0 HA SER A 2 8.659 13.684 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.369 12.324 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.988 13.383 -7.609 1.00 0.00 H new ATOM 0 HG SER A 2 5.322 14.272 -9.645 1.00 0.00 H new ATOM 19 N SER A 3 8.252 15.612 -7.293 1.00 0.00 N ATOM 20 CA SER A 3 8.441 16.652 -6.289 1.00 0.00 C ATOM 21 C SER A 3 7.299 17.663 -6.332 1.00 0.00 C ATOM 22 O SER A 3 7.398 18.701 -6.985 1.00 0.00 O ATOM 23 CB SER A 3 9.777 17.365 -6.507 1.00 0.00 C ATOM 24 OG SER A 3 10.864 16.539 -6.128 1.00 0.00 O ATOM 0 H SER A 3 8.091 15.962 -8.237 1.00 0.00 H new ATOM 0 HA SER A 3 8.447 16.178 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.877 17.644 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.799 18.288 -5.928 1.00 0.00 H new ATOM 0 HG SER A 3 11.706 17.017 -6.279 1.00 0.00 H new ATOM 30 N GLY A 4 6.213 17.350 -5.631 1.00 0.00 N ATOM 31 CA GLY A 4 5.067 18.239 -5.602 1.00 0.00 C ATOM 32 C GLY A 4 5.313 19.474 -4.758 1.00 0.00 C ATOM 33 O GLY A 4 5.058 19.472 -3.554 1.00 0.00 O ATOM 0 H GLY A 4 6.107 16.496 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.820 18.541 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.204 17.701 -5.211 1.00 0.00 H new ATOM 37 N SER A 5 5.811 20.532 -5.390 1.00 0.00 N ATOM 38 CA SER A 5 6.097 21.778 -4.688 1.00 0.00 C ATOM 39 C SER A 5 4.839 22.634 -4.567 1.00 0.00 C ATOM 40 O SER A 5 4.465 23.055 -3.473 1.00 0.00 O ATOM 41 CB SER A 5 7.191 22.559 -5.417 1.00 0.00 C ATOM 42 OG SER A 5 7.710 23.594 -4.600 1.00 0.00 O ATOM 0 H SER A 5 6.025 20.551 -6.387 1.00 0.00 H new ATOM 0 HA SER A 5 6.445 21.530 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.995 21.882 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.788 22.985 -6.336 1.00 0.00 H new ATOM 0 HG SER A 5 8.409 24.077 -5.089 1.00 0.00 H new ATOM 48 N SER A 6 4.192 22.887 -5.700 1.00 0.00 N ATOM 49 CA SER A 6 2.979 23.696 -5.723 1.00 0.00 C ATOM 50 C SER A 6 2.071 23.346 -4.549 1.00 0.00 C ATOM 51 O SER A 6 1.703 22.188 -4.357 1.00 0.00 O ATOM 52 CB SER A 6 2.229 23.491 -7.041 1.00 0.00 C ATOM 53 OG SER A 6 3.002 23.938 -8.142 1.00 0.00 O ATOM 0 H SER A 6 4.487 22.544 -6.614 1.00 0.00 H new ATOM 0 HA SER A 6 3.268 24.743 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.989 22.435 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.283 24.032 -7.013 1.00 0.00 H new ATOM 0 HG SER A 6 2.502 23.795 -8.972 1.00 0.00 H new ATOM 59 N GLY A 7 1.712 24.358 -3.764 1.00 0.00 N ATOM 60 CA GLY A 7 0.850 24.138 -2.618 1.00 0.00 C ATOM 61 C GLY A 7 -0.542 24.704 -2.822 1.00 0.00 C ATOM 62 O GLY A 7 -1.467 23.978 -3.184 1.00 0.00 O ATOM 0 H GLY A 7 2.003 25.326 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.779 23.068 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.299 24.595 -1.736 1.00 0.00 H new ATOM 66 N GLY A 8 -0.691 26.004 -2.588 1.00 0.00 N ATOM 67 CA GLY A 8 -1.984 26.643 -2.752 1.00 0.00 C ATOM 68 C GLY A 8 -2.903 26.405 -1.570 1.00 0.00 C ATOM 69 O GLY A 8 -2.649 25.527 -0.746 1.00 0.00 O ATOM 0 H GLY A 8 0.060 26.626 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.841 27.715 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.459 26.268 -3.659 1.00 0.00 H new ATOM 73 N SER A 9 -3.972 27.189 -1.487 1.00 0.00 N ATOM 74 CA SER A 9 -4.930 27.063 -0.394 1.00 0.00 C ATOM 75 C SER A 9 -6.304 26.660 -0.920 1.00 0.00 C ATOM 76 O SER A 9 -6.580 26.765 -2.114 1.00 0.00 O ATOM 77 CB SER A 9 -5.032 28.380 0.377 1.00 0.00 C ATOM 78 OG SER A 9 -5.612 29.396 -0.423 1.00 0.00 O ATOM 0 H SER A 9 -4.197 27.919 -2.163 1.00 0.00 H new ATOM 0 HA SER A 9 -4.575 26.283 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.632 28.234 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.040 28.692 0.703 1.00 0.00 H new ATOM 0 HG SER A 9 -5.668 30.227 0.093 1.00 0.00 H new ATOM 84 N GLY A 10 -7.164 26.197 -0.017 1.00 0.00 N ATOM 85 CA GLY A 10 -8.499 25.785 -0.408 1.00 0.00 C ATOM 86 C GLY A 10 -9.488 25.862 0.739 1.00 0.00 C ATOM 87 O GLY A 10 -9.127 26.230 1.857 1.00 0.00 O ATOM 0 H GLY A 10 -6.960 26.100 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.846 26.416 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.465 24.763 -0.786 1.00 0.00 H new ATOM 91 N HIS A 11 -10.741 25.515 0.461 1.00 0.00 N ATOM 92 CA HIS A 11 -11.786 25.547 1.478 1.00 0.00 C ATOM 93 C HIS A 11 -11.861 24.218 2.223 1.00 0.00 C ATOM 94 O HIS A 11 -11.450 23.180 1.704 1.00 0.00 O ATOM 95 CB HIS A 11 -13.139 25.865 0.840 1.00 0.00 C ATOM 96 CG HIS A 11 -13.262 27.282 0.372 1.00 0.00 C ATOM 97 ND1 HIS A 11 -12.869 27.697 -0.883 1.00 0.00 N ATOM 98 CD2 HIS A 11 -13.740 28.383 0.998 1.00 0.00 C ATOM 99 CE1 HIS A 11 -13.098 28.992 -1.008 1.00 0.00 C ATOM 100 NE2 HIS A 11 -13.627 29.432 0.119 1.00 0.00 N ATOM 0 H HIS A 11 -11.057 25.209 -0.459 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.537 26.331 2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.299 25.196 -0.006 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.929 25.660 1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.136 28.428 2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -12.888 29.589 -1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.906 30.395 0.306 1.00 0.00 H new ATOM 109 N PHE A 12 -12.388 24.257 3.442 1.00 0.00 N ATOM 110 CA PHE A 12 -12.515 23.056 4.259 1.00 0.00 C ATOM 111 C PHE A 12 -13.979 22.647 4.401 1.00 0.00 C ATOM 112 O PHE A 12 -14.883 23.410 4.062 1.00 0.00 O ATOM 113 CB PHE A 12 -11.903 23.286 5.642 1.00 0.00 C ATOM 114 CG PHE A 12 -11.888 22.056 6.504 1.00 0.00 C ATOM 115 CD1 PHE A 12 -10.960 21.051 6.284 1.00 0.00 C ATOM 116 CD2 PHE A 12 -12.802 21.905 7.534 1.00 0.00 C ATOM 117 CE1 PHE A 12 -10.944 19.918 7.075 1.00 0.00 C ATOM 118 CE2 PHE A 12 -12.791 20.774 8.329 1.00 0.00 C ATOM 119 CZ PHE A 12 -11.860 19.780 8.099 1.00 0.00 C ATOM 0 H PHE A 12 -12.734 25.108 3.886 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.977 22.250 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.882 23.649 5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.462 24.070 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.241 21.154 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.532 22.680 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.216 19.141 6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.509 20.668 9.129 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.848 18.896 8.719 1.00 0.00 H new ATOM 129 N ARG A 13 -14.203 21.437 4.903 1.00 0.00 N ATOM 130 CA ARG A 13 -15.555 20.925 5.088 1.00 0.00 C ATOM 131 C ARG A 13 -15.614 19.956 6.265 1.00 0.00 C ATOM 132 O ARG A 13 -14.581 19.543 6.794 1.00 0.00 O ATOM 133 CB ARG A 13 -16.038 20.227 3.815 1.00 0.00 C ATOM 134 CG ARG A 13 -16.052 21.131 2.593 1.00 0.00 C ATOM 135 CD ARG A 13 -16.656 20.428 1.388 1.00 0.00 C ATOM 136 NE ARG A 13 -15.670 19.623 0.672 1.00 0.00 N ATOM 137 CZ ARG A 13 -14.655 20.140 -0.011 1.00 0.00 C ATOM 138 NH1 ARG A 13 -14.493 21.454 -0.070 1.00 0.00 N ATOM 139 NH2 ARG A 13 -13.799 19.341 -0.636 1.00 0.00 N ATOM 0 H ARG A 13 -13.465 20.793 5.189 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.210 21.770 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.396 19.369 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.043 19.840 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.622 22.033 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.035 21.446 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.477 19.789 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.079 21.169 0.710 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.766 18.608 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.149 22.071 0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.713 21.849 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.920 18.329 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.020 19.739 -1.160 1.00 0.00 H new ATOM 153 N CYS A 14 -16.827 19.598 6.671 1.00 0.00 N ATOM 154 CA CYS A 14 -17.020 18.679 7.786 1.00 0.00 C ATOM 155 C CYS A 14 -16.597 17.264 7.405 1.00 0.00 C ATOM 156 O CYS A 14 -15.949 16.567 8.186 1.00 0.00 O ATOM 157 CB CYS A 14 -18.483 18.684 8.231 1.00 0.00 C ATOM 158 SG CYS A 14 -18.864 19.912 9.502 1.00 0.00 S ATOM 0 H CYS A 14 -17.692 19.931 6.244 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.395 19.015 8.613 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.115 18.868 7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.740 17.694 8.609 1.00 0.00 H new ATOM 0 HG CYS A 14 -20.125 19.840 9.811 1.00 0.00 H new ATOM 164 N ASP A 15 -16.969 16.845 6.200 1.00 0.00 N ATOM 165 CA ASP A 15 -16.629 15.513 5.715 1.00 0.00 C ATOM 166 C ASP A 15 -15.129 15.392 5.468 1.00 0.00 C ATOM 167 O ASP A 15 -14.536 16.213 4.769 1.00 0.00 O ATOM 168 CB ASP A 15 -17.397 15.204 4.429 1.00 0.00 C ATOM 169 CG ASP A 15 -16.915 16.033 3.254 1.00 0.00 C ATOM 170 OD1 ASP A 15 -15.955 15.604 2.580 1.00 0.00 O ATOM 171 OD2 ASP A 15 -17.497 17.110 3.009 1.00 0.00 O ATOM 0 H ASP A 15 -17.506 17.409 5.541 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.913 14.791 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.291 14.146 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.459 15.390 4.590 1.00 0.00 H new ATOM 176 N SER A 16 -14.520 14.362 6.048 1.00 0.00 N ATOM 177 CA SER A 16 -13.088 14.136 5.895 1.00 0.00 C ATOM 178 C SER A 16 -12.818 13.013 4.897 1.00 0.00 C ATOM 179 O SER A 16 -13.548 12.023 4.848 1.00 0.00 O ATOM 180 CB SER A 16 -12.457 13.794 7.247 1.00 0.00 C ATOM 181 OG SER A 16 -11.072 13.524 7.109 1.00 0.00 O ATOM 0 H SER A 16 -14.996 13.671 6.628 1.00 0.00 H new ATOM 0 HA SER A 16 -12.639 15.053 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.602 14.623 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.959 12.927 7.677 1.00 0.00 H new ATOM 0 HG SER A 16 -10.691 13.310 7.986 1.00 0.00 H new ATOM 187 N SER A 17 -11.765 13.176 4.104 1.00 0.00 N ATOM 188 CA SER A 17 -11.400 12.179 3.104 1.00 0.00 C ATOM 189 C SER A 17 -10.348 11.219 3.652 1.00 0.00 C ATOM 190 O SER A 17 -9.397 10.861 2.957 1.00 0.00 O ATOM 191 CB SER A 17 -10.874 12.862 1.840 1.00 0.00 C ATOM 192 OG SER A 17 -9.853 13.795 2.151 1.00 0.00 O ATOM 0 H SER A 17 -11.149 13.989 4.134 1.00 0.00 H new ATOM 0 HA SER A 17 -12.294 11.607 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.487 12.111 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.692 13.370 1.330 1.00 0.00 H new ATOM 0 HG SER A 17 -9.533 14.216 1.326 1.00 0.00 H new ATOM 198 N ARG A 18 -10.526 10.807 4.903 1.00 0.00 N ATOM 199 CA ARG A 18 -9.593 9.891 5.546 1.00 0.00 C ATOM 200 C ARG A 18 -10.074 8.448 5.420 1.00 0.00 C ATOM 201 O ARG A 18 -9.997 7.673 6.373 1.00 0.00 O ATOM 202 CB ARG A 18 -9.421 10.255 7.022 1.00 0.00 C ATOM 203 CG ARG A 18 -8.321 11.273 7.274 1.00 0.00 C ATOM 204 CD ARG A 18 -7.732 11.124 8.668 1.00 0.00 C ATOM 205 NE ARG A 18 -6.531 11.935 8.844 1.00 0.00 N ATOM 206 CZ ARG A 18 -5.711 11.818 9.883 1.00 0.00 C ATOM 207 NH1 ARG A 18 -5.962 10.927 10.833 1.00 0.00 N ATOM 208 NH2 ARG A 18 -4.638 12.592 9.973 1.00 0.00 N ATOM 0 H ARG A 18 -11.308 11.094 5.491 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.630 9.981 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.363 10.649 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.203 9.349 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.534 11.151 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.721 12.280 7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.477 11.414 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.492 10.076 8.850 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.309 12.629 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.786 10.330 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.331 10.839 11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.441 13.278 9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.009 12.501 10.771 1.00 0.00 H new ATOM 222 N TRP A 19 -10.569 8.096 4.239 1.00 0.00 N ATOM 223 CA TRP A 19 -11.063 6.747 3.989 1.00 0.00 C ATOM 224 C TRP A 19 -10.673 6.275 2.593 1.00 0.00 C ATOM 225 O TRP A 19 -10.086 7.026 1.813 1.00 0.00 O ATOM 226 CB TRP A 19 -12.583 6.700 4.150 1.00 0.00 C ATOM 227 CG TRP A 19 -13.321 7.364 3.027 1.00 0.00 C ATOM 228 CD1 TRP A 19 -13.111 8.623 2.540 1.00 0.00 C ATOM 229 CD2 TRP A 19 -14.387 6.804 2.252 1.00 0.00 C ATOM 230 NE1 TRP A 19 -13.983 8.879 1.509 1.00 0.00 N ATOM 231 CE2 TRP A 19 -14.775 7.779 1.313 1.00 0.00 C ATOM 232 CE3 TRP A 19 -15.050 5.574 2.260 1.00 0.00 C ATOM 233 CZ2 TRP A 19 -15.797 7.560 0.393 1.00 0.00 C ATOM 234 CZ3 TRP A 19 -16.064 5.358 1.346 1.00 0.00 C ATOM 235 CH2 TRP A 19 -16.429 6.347 0.423 1.00 0.00 C ATOM 0 H TRP A 19 -10.639 8.726 3.440 1.00 0.00 H new ATOM 0 HA TRP A 19 -10.607 6.079 4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -12.902 5.660 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -12.857 7.181 5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -12.369 9.315 2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -14.032 9.747 0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -14.775 4.806 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -16.081 8.321 -0.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.584 4.411 1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -17.225 6.148 -0.279 1.00 0.00 H new ATOM 246 N CYS A 20 -11.002 5.025 2.282 1.00 0.00 N ATOM 247 CA CYS A 20 -10.686 4.452 0.979 1.00 0.00 C ATOM 248 C CYS A 20 -11.916 3.792 0.362 1.00 0.00 C ATOM 249 O CYS A 20 -12.948 3.643 1.017 1.00 0.00 O ATOM 250 CB CYS A 20 -9.556 3.429 1.109 1.00 0.00 C ATOM 251 SG CYS A 20 -7.969 4.140 1.652 1.00 0.00 S ATOM 0 H CYS A 20 -11.488 4.390 2.915 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.362 5.260 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.858 2.658 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.412 2.938 0.146 1.00 0.00 H new ATOM 256 N HIS A 21 -11.798 3.398 -0.902 1.00 0.00 N ATOM 257 CA HIS A 21 -12.899 2.753 -1.607 1.00 0.00 C ATOM 258 C HIS A 21 -12.397 2.028 -2.852 1.00 0.00 C ATOM 259 O HIS A 21 -11.890 2.652 -3.784 1.00 0.00 O ATOM 260 CB HIS A 21 -13.958 3.785 -1.997 1.00 0.00 C ATOM 261 CG HIS A 21 -15.205 3.180 -2.564 1.00 0.00 C ATOM 262 ND1 HIS A 21 -16.340 2.955 -1.815 1.00 0.00 N ATOM 263 CD2 HIS A 21 -15.491 2.753 -3.816 1.00 0.00 C ATOM 264 CE1 HIS A 21 -17.271 2.415 -2.581 1.00 0.00 C ATOM 265 NE2 HIS A 21 -16.781 2.282 -3.801 1.00 0.00 N ATOM 0 H HIS A 21 -10.951 3.514 -1.459 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.346 2.020 -0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -14.218 4.376 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.532 4.471 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -14.828 2.778 -4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -18.264 2.131 -2.264 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.280 1.893 -4.601 1.00 0.00 H new ATOM 274 N ASP A 22 -12.540 0.707 -2.859 1.00 0.00 N ATOM 275 CA ASP A 22 -12.101 -0.103 -3.990 1.00 0.00 C ATOM 276 C ASP A 22 -13.196 -1.075 -4.419 1.00 0.00 C ATOM 277 O ASP A 22 -13.535 -1.161 -5.599 1.00 0.00 O ATOM 278 CB ASP A 22 -10.830 -0.874 -3.628 1.00 0.00 C ATOM 279 CG ASP A 22 -10.150 -1.471 -4.845 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.761 -2.341 -5.499 1.00 0.00 O ATOM 281 OD2 ASP A 22 -9.006 -1.067 -5.142 1.00 0.00 O ATOM 0 H ASP A 22 -12.956 0.175 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.887 0.565 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.136 -0.206 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.079 -1.671 -2.927 1.00 0.00 H new ATOM 286 N ASN A 23 -13.743 -1.806 -3.454 1.00 0.00 N ATOM 287 CA ASN A 23 -14.799 -2.773 -3.733 1.00 0.00 C ATOM 288 C ASN A 23 -16.122 -2.326 -3.120 1.00 0.00 C ATOM 289 O ASN A 23 -17.164 -2.359 -3.774 1.00 0.00 O ATOM 290 CB ASN A 23 -14.412 -4.151 -3.191 1.00 0.00 C ATOM 291 CG ASN A 23 -14.870 -4.359 -1.761 1.00 0.00 C ATOM 292 OD1 ASN A 23 -14.236 -3.882 -0.819 1.00 0.00 O ATOM 293 ND2 ASN A 23 -15.976 -5.075 -1.591 1.00 0.00 N ATOM 0 H ASN A 23 -13.473 -1.748 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.924 -2.836 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.848 -4.923 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.330 -4.268 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.332 -5.249 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.469 -5.451 -2.401 1.00 0.00 H new ATOM 300 N GLY A 24 -16.073 -1.908 -1.859 1.00 0.00 N ATOM 301 CA GLY A 24 -17.274 -1.459 -1.178 1.00 0.00 C ATOM 302 C GLY A 24 -17.195 -1.651 0.323 1.00 0.00 C ATOM 303 O GLY A 24 -18.198 -1.947 0.972 1.00 0.00 O ATOM 0 H GLY A 24 -15.223 -1.872 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.440 -0.404 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.134 -2.005 -1.566 1.00 0.00 H new ATOM 307 N VAL A 25 -15.999 -1.484 0.878 1.00 0.00 N ATOM 308 CA VAL A 25 -15.792 -1.641 2.313 1.00 0.00 C ATOM 309 C VAL A 25 -14.982 -0.482 2.881 1.00 0.00 C ATOM 310 O VAL A 25 -14.084 0.043 2.224 1.00 0.00 O ATOM 311 CB VAL A 25 -15.072 -2.963 2.635 1.00 0.00 C ATOM 312 CG1 VAL A 25 -14.935 -3.145 4.139 1.00 0.00 C ATOM 313 CG2 VAL A 25 -15.812 -4.138 2.013 1.00 0.00 C ATOM 0 H VAL A 25 -15.158 -1.240 0.355 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.779 -1.652 2.776 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.071 -2.925 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.424 -4.085 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.358 -2.319 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.925 -3.162 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.289 -5.064 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.826 -4.181 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.852 -4.011 0.931 1.00 0.00 H new ATOM 323 N ASN A 26 -15.305 -0.087 4.109 1.00 0.00 N ATOM 324 CA ASN A 26 -14.606 1.011 4.767 1.00 0.00 C ATOM 325 C ASN A 26 -13.339 0.514 5.457 1.00 0.00 C ATOM 326 O ASN A 26 -13.399 -0.310 6.369 1.00 0.00 O ATOM 327 CB ASN A 26 -15.524 1.688 5.788 1.00 0.00 C ATOM 328 CG ASN A 26 -16.278 0.686 6.641 1.00 0.00 C ATOM 329 OD1 ASN A 26 -15.810 -0.430 6.867 1.00 0.00 O ATOM 330 ND2 ASN A 26 -17.451 1.082 7.119 1.00 0.00 N ATOM 0 H ASN A 26 -16.046 -0.511 4.668 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.322 1.737 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.930 2.336 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.237 2.325 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.004 0.452 7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -17.799 2.017 6.906 1.00 0.00 H new ATOM 337 N TYR A 27 -12.194 1.021 5.014 1.00 0.00 N ATOM 338 CA TYR A 27 -10.912 0.628 5.587 1.00 0.00 C ATOM 339 C TYR A 27 -10.292 1.778 6.375 1.00 0.00 C ATOM 340 O TYR A 27 -10.620 2.945 6.157 1.00 0.00 O ATOM 341 CB TYR A 27 -9.954 0.175 4.484 1.00 0.00 C ATOM 342 CG TYR A 27 -10.592 -0.747 3.470 1.00 0.00 C ATOM 343 CD1 TYR A 27 -10.988 -2.031 3.821 1.00 0.00 C ATOM 344 CD2 TYR A 27 -10.798 -0.333 2.159 1.00 0.00 C ATOM 345 CE1 TYR A 27 -11.570 -2.877 2.897 1.00 0.00 C ATOM 346 CE2 TYR A 27 -11.381 -1.172 1.229 1.00 0.00 C ATOM 347 CZ TYR A 27 -11.765 -2.443 1.602 1.00 0.00 C ATOM 348 OH TYR A 27 -12.345 -3.282 0.679 1.00 0.00 O ATOM 0 H TYR A 27 -12.127 1.705 4.260 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.087 -0.203 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.564 1.053 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.103 -0.332 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -10.838 -2.374 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.497 0.661 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.871 -3.873 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.535 -0.834 0.215 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.147 -2.857 0.309 1.00 0.00 H new ATOM 358 N LYS A 28 -9.392 1.440 7.292 1.00 0.00 N ATOM 359 CA LYS A 28 -8.722 2.442 8.113 1.00 0.00 C ATOM 360 C LYS A 28 -7.277 2.636 7.664 1.00 0.00 C ATOM 361 O LYS A 28 -6.656 1.717 7.128 1.00 0.00 O ATOM 362 CB LYS A 28 -8.758 2.032 9.587 1.00 0.00 C ATOM 363 CG LYS A 28 -10.063 2.380 10.283 1.00 0.00 C ATOM 364 CD LYS A 28 -9.896 2.419 11.792 1.00 0.00 C ATOM 365 CE LYS A 28 -9.726 1.023 12.371 1.00 0.00 C ATOM 366 NZ LYS A 28 -11.012 0.272 12.395 1.00 0.00 N ATOM 0 H LYS A 28 -9.109 0.479 7.486 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.252 3.387 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.592 0.957 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.935 2.518 10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.418 3.348 9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.824 1.646 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.029 3.028 12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.765 2.898 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.994 0.472 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.329 1.096 13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.880 -0.626 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.737 0.840 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.318 0.077 11.420 1.00 0.00 H new ATOM 380 N ILE A 29 -6.748 3.834 7.887 1.00 0.00 N ATOM 381 CA ILE A 29 -5.376 4.146 7.507 1.00 0.00 C ATOM 382 C ILE A 29 -4.401 3.126 8.085 1.00 0.00 C ATOM 383 O ILE A 29 -4.152 3.103 9.290 1.00 0.00 O ATOM 384 CB ILE A 29 -4.967 5.554 7.978 1.00 0.00 C ATOM 385 CG1 ILE A 29 -5.910 6.605 7.389 1.00 0.00 C ATOM 386 CG2 ILE A 29 -3.527 5.847 7.585 1.00 0.00 C ATOM 387 CD1 ILE A 29 -5.929 6.622 5.877 1.00 0.00 C ATOM 0 H ILE A 29 -7.249 4.605 8.329 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.334 4.110 6.418 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.041 5.594 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.920 6.420 7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.615 7.590 7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.253 6.846 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.867 5.113 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.427 5.793 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.619 7.391 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.928 6.837 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.254 5.650 5.506 1.00 0.00 H new ATOM 399 N GLY A 30 -3.849 2.284 7.217 1.00 0.00 N ATOM 400 CA GLY A 30 -2.905 1.274 7.660 1.00 0.00 C ATOM 401 C GLY A 30 -3.441 -0.134 7.490 1.00 0.00 C ATOM 402 O GLY A 30 -2.673 -1.080 7.320 1.00 0.00 O ATOM 0 H GLY A 30 -4.038 2.283 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.977 1.377 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.662 1.443 8.709 1.00 0.00 H new ATOM 406 N GLU A 31 -4.762 -0.273 7.538 1.00 0.00 N ATOM 407 CA GLU A 31 -5.398 -1.577 7.391 1.00 0.00 C ATOM 408 C GLU A 31 -5.255 -2.094 5.963 1.00 0.00 C ATOM 409 O GLU A 31 -4.720 -1.407 5.092 1.00 0.00 O ATOM 410 CB GLU A 31 -6.879 -1.492 7.768 1.00 0.00 C ATOM 411 CG GLU A 31 -7.129 -1.531 9.266 1.00 0.00 C ATOM 412 CD GLU A 31 -6.182 -0.634 10.039 1.00 0.00 C ATOM 413 OE1 GLU A 31 -5.030 -1.052 10.280 1.00 0.00 O ATOM 414 OE2 GLU A 31 -6.593 0.488 10.403 1.00 0.00 O ATOM 0 H GLU A 31 -5.412 0.501 7.677 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.898 -2.274 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.296 -0.570 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.413 -2.318 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.156 -1.227 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.024 -2.556 9.622 1.00 0.00 H new ATOM 421 N LYS A 32 -5.736 -3.311 5.729 1.00 0.00 N ATOM 422 CA LYS A 32 -5.663 -3.922 4.408 1.00 0.00 C ATOM 423 C LYS A 32 -6.839 -4.866 4.179 1.00 0.00 C ATOM 424 O LYS A 32 -7.471 -5.327 5.130 1.00 0.00 O ATOM 425 CB LYS A 32 -4.345 -4.684 4.247 1.00 0.00 C ATOM 426 CG LYS A 32 -3.114 -3.803 4.375 1.00 0.00 C ATOM 427 CD LYS A 32 -2.637 -3.716 5.815 1.00 0.00 C ATOM 428 CE LYS A 32 -1.635 -4.814 6.137 1.00 0.00 C ATOM 429 NZ LYS A 32 -0.245 -4.418 5.782 1.00 0.00 N ATOM 0 H LYS A 32 -6.181 -3.893 6.438 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.708 -3.126 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.297 -5.473 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.333 -5.171 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.315 -4.200 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.341 -2.803 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.180 -2.742 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.491 -3.793 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.685 -5.051 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.904 -5.721 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.407 -5.193 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.191 -4.217 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.021 -3.567 6.318 1.00 0.00 H new ATOM 443 N TRP A 33 -7.126 -5.151 2.914 1.00 0.00 N ATOM 444 CA TRP A 33 -8.226 -6.041 2.562 1.00 0.00 C ATOM 445 C TRP A 33 -7.888 -6.858 1.320 1.00 0.00 C ATOM 446 O TRP A 33 -6.787 -6.756 0.779 1.00 0.00 O ATOM 447 CB TRP A 33 -9.506 -5.237 2.326 1.00 0.00 C ATOM 448 CG TRP A 33 -9.417 -4.311 1.151 1.00 0.00 C ATOM 449 CD1 TRP A 33 -9.843 -4.559 -0.122 1.00 0.00 C ATOM 450 CD2 TRP A 33 -8.865 -2.989 1.142 1.00 0.00 C ATOM 451 NE1 TRP A 33 -9.590 -3.471 -0.923 1.00 0.00 N ATOM 452 CE2 TRP A 33 -8.992 -2.495 -0.171 1.00 0.00 C ATOM 453 CE3 TRP A 33 -8.279 -2.175 2.114 1.00 0.00 C ATOM 454 CZ2 TRP A 33 -8.552 -1.225 -0.534 1.00 0.00 C ATOM 455 CZ3 TRP A 33 -7.843 -0.915 1.753 1.00 0.00 C ATOM 456 CH2 TRP A 33 -7.982 -0.449 0.439 1.00 0.00 C ATOM 0 H TRP A 33 -6.612 -4.779 2.115 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.385 -6.727 3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -10.337 -5.926 2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.732 -4.657 3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -10.310 -5.475 -0.451 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -9.812 -3.402 -1.916 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.169 -2.525 3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.657 -0.865 -1.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.387 -0.278 2.496 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -7.633 0.542 0.189 1.00 0.00 H new ATOM 467 N ASP A 34 -8.842 -7.669 0.873 1.00 0.00 N ATOM 468 CA ASP A 34 -8.645 -8.503 -0.307 1.00 0.00 C ATOM 469 C ASP A 34 -9.623 -8.118 -1.413 1.00 0.00 C ATOM 470 O ASP A 34 -10.792 -7.836 -1.151 1.00 0.00 O ATOM 471 CB ASP A 34 -8.816 -9.980 0.052 1.00 0.00 C ATOM 472 CG ASP A 34 -9.991 -10.217 0.980 1.00 0.00 C ATOM 473 OD1 ASP A 34 -11.087 -9.688 0.699 1.00 0.00 O ATOM 474 OD2 ASP A 34 -9.814 -10.933 1.988 1.00 0.00 O ATOM 0 H ASP A 34 -9.759 -7.766 1.310 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.631 -8.341 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.955 -10.559 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.904 -10.344 0.525 1.00 0.00 H new ATOM 479 N ARG A 35 -9.135 -8.109 -2.650 1.00 0.00 N ATOM 480 CA ARG A 35 -9.965 -7.757 -3.795 1.00 0.00 C ATOM 481 C ARG A 35 -9.356 -8.285 -5.091 1.00 0.00 C ATOM 482 O ARG A 35 -8.259 -8.843 -5.089 1.00 0.00 O ATOM 483 CB ARG A 35 -10.136 -6.239 -3.881 1.00 0.00 C ATOM 484 CG ARG A 35 -8.836 -5.469 -3.715 1.00 0.00 C ATOM 485 CD ARG A 35 -8.134 -5.267 -5.049 1.00 0.00 C ATOM 486 NE ARG A 35 -8.842 -4.317 -5.902 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.341 -3.827 -7.030 1.00 0.00 C ATOM 488 NH1 ARG A 35 -7.134 -4.194 -7.438 1.00 0.00 N ATOM 489 NH2 ARG A 35 -9.047 -2.966 -7.752 1.00 0.00 N ATOM 0 H ARG A 35 -8.170 -8.341 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.943 -8.219 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.578 -5.986 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.840 -5.917 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.041 -4.500 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.177 -6.008 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.119 -4.910 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.051 -6.224 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.773 -4.013 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.588 -4.854 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.752 -3.816 -8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.975 -2.680 -7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.661 -2.590 -8.618 1.00 0.00 H new ATOM 503 N GLN A 36 -10.076 -8.105 -6.193 1.00 0.00 N ATOM 504 CA GLN A 36 -9.607 -8.565 -7.495 1.00 0.00 C ATOM 505 C GLN A 36 -8.901 -7.442 -8.247 1.00 0.00 C ATOM 506 O GLN A 36 -9.375 -6.306 -8.274 1.00 0.00 O ATOM 507 CB GLN A 36 -10.777 -9.095 -8.325 1.00 0.00 C ATOM 508 CG GLN A 36 -10.347 -9.918 -9.528 1.00 0.00 C ATOM 509 CD GLN A 36 -11.521 -10.394 -10.360 1.00 0.00 C ATOM 510 OE1 GLN A 36 -12.339 -9.593 -10.815 1.00 0.00 O ATOM 511 NE2 GLN A 36 -11.611 -11.702 -10.565 1.00 0.00 N ATOM 0 H GLN A 36 -10.986 -7.644 -6.211 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.893 -9.372 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.416 -9.706 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.379 -8.253 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.682 -9.321 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.775 -10.781 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.911 -12.330 -10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.380 -12.080 -11.118 1.00 0.00 H new ATOM 520 N GLY A 37 -7.766 -7.767 -8.858 1.00 0.00 N ATOM 521 CA GLY A 37 -7.013 -6.774 -9.602 1.00 0.00 C ATOM 522 C GLY A 37 -7.674 -6.412 -10.918 1.00 0.00 C ATOM 523 O GLY A 37 -8.669 -5.689 -10.941 1.00 0.00 O ATOM 0 H GLY A 37 -7.354 -8.700 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.903 -5.876 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.009 -7.153 -9.795 1.00 0.00 H new ATOM 527 N GLU A 38 -7.117 -6.915 -12.015 1.00 0.00 N ATOM 528 CA GLU A 38 -7.658 -6.638 -13.341 1.00 0.00 C ATOM 529 C GLU A 38 -8.138 -7.921 -14.012 1.00 0.00 C ATOM 530 O GLU A 38 -9.321 -8.071 -14.314 1.00 0.00 O ATOM 531 CB GLU A 38 -6.603 -5.956 -14.214 1.00 0.00 C ATOM 532 CG GLU A 38 -7.181 -5.258 -15.434 1.00 0.00 C ATOM 533 CD GLU A 38 -6.198 -5.191 -16.587 1.00 0.00 C ATOM 534 OE1 GLU A 38 -5.739 -6.260 -17.040 1.00 0.00 O ATOM 535 OE2 GLU A 38 -5.889 -4.067 -17.038 1.00 0.00 O ATOM 0 H GLU A 38 -6.293 -7.516 -12.012 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.511 -5.969 -13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.061 -5.227 -13.612 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.878 -6.701 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.079 -5.784 -15.757 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.484 -4.247 -15.160 1.00 0.00 H new ATOM 542 N ASN A 39 -7.210 -8.844 -14.243 1.00 0.00 N ATOM 543 CA ASN A 39 -7.537 -10.115 -14.880 1.00 0.00 C ATOM 544 C ASN A 39 -8.316 -11.016 -13.927 1.00 0.00 C ATOM 545 O ASN A 39 -9.448 -11.405 -14.210 1.00 0.00 O ATOM 546 CB ASN A 39 -6.261 -10.822 -15.339 1.00 0.00 C ATOM 547 CG ASN A 39 -5.819 -10.378 -16.720 1.00 0.00 C ATOM 548 OD1 ASN A 39 -6.090 -11.048 -17.717 1.00 0.00 O ATOM 549 ND2 ASN A 39 -5.134 -9.242 -16.785 1.00 0.00 N ATOM 0 H ASN A 39 -6.226 -8.736 -13.999 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.162 -9.908 -15.749 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.462 -10.625 -14.624 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.427 -11.899 -15.342 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.810 -8.893 -17.687 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.932 -8.719 -15.933 1.00 0.00 H new ATOM 556 N GLY A 40 -7.701 -11.343 -12.794 1.00 0.00 N ATOM 557 CA GLY A 40 -8.352 -12.195 -11.816 1.00 0.00 C ATOM 558 C GLY A 40 -7.392 -12.697 -10.755 1.00 0.00 C ATOM 559 O GLY A 40 -7.473 -13.850 -10.333 1.00 0.00 O ATOM 0 H GLY A 40 -6.764 -11.033 -12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.161 -11.642 -11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.805 -13.046 -12.324 1.00 0.00 H new ATOM 563 N GLN A 41 -6.482 -11.830 -10.325 1.00 0.00 N ATOM 564 CA GLN A 41 -5.502 -12.193 -9.308 1.00 0.00 C ATOM 565 C GLN A 41 -5.779 -11.462 -7.999 1.00 0.00 C ATOM 566 O GLN A 41 -6.161 -10.292 -7.999 1.00 0.00 O ATOM 567 CB GLN A 41 -4.088 -11.873 -9.796 1.00 0.00 C ATOM 568 CG GLN A 41 -3.890 -10.414 -10.174 1.00 0.00 C ATOM 569 CD GLN A 41 -2.602 -10.178 -10.937 1.00 0.00 C ATOM 570 OE1 GLN A 41 -2.025 -11.106 -11.505 1.00 0.00 O ATOM 571 NE2 GLN A 41 -2.143 -8.932 -10.954 1.00 0.00 N ATOM 0 H GLN A 41 -6.403 -10.871 -10.665 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.583 -13.265 -9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.375 -12.137 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.861 -12.498 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.733 -10.082 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.889 -9.805 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.654 -8.194 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.280 -8.713 -11.452 1.00 0.00 H new ATOM 580 N MET A 42 -5.583 -12.159 -6.884 1.00 0.00 N ATOM 581 CA MET A 42 -5.811 -11.575 -5.568 1.00 0.00 C ATOM 582 C MET A 42 -4.774 -10.499 -5.263 1.00 0.00 C ATOM 583 O MET A 42 -3.572 -10.766 -5.259 1.00 0.00 O ATOM 584 CB MET A 42 -5.769 -12.660 -4.490 1.00 0.00 C ATOM 585 CG MET A 42 -7.119 -13.307 -4.226 1.00 0.00 C ATOM 586 SD MET A 42 -7.260 -13.960 -2.552 1.00 0.00 S ATOM 587 CE MET A 42 -8.056 -12.588 -1.719 1.00 0.00 C ATOM 0 H MET A 42 -5.267 -13.129 -6.866 1.00 0.00 H new ATOM 0 HA MET A 42 -6.798 -11.113 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.058 -13.430 -4.789 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.396 -12.225 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.908 -12.574 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.277 -14.114 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.912 -12.683 -0.643 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.618 -11.651 -2.062 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.122 -12.595 -1.944 1.00 0.00 H new ATOM 597 N MET A 43 -5.246 -9.283 -5.009 1.00 0.00 N ATOM 598 CA MET A 43 -4.358 -8.167 -4.703 1.00 0.00 C ATOM 599 C MET A 43 -4.696 -7.560 -3.345 1.00 0.00 C ATOM 600 O MET A 43 -5.864 -7.334 -3.029 1.00 0.00 O ATOM 601 CB MET A 43 -4.454 -7.097 -5.792 1.00 0.00 C ATOM 602 CG MET A 43 -4.148 -7.619 -7.186 1.00 0.00 C ATOM 603 SD MET A 43 -3.989 -6.298 -8.403 1.00 0.00 S ATOM 604 CE MET A 43 -2.626 -5.364 -7.713 1.00 0.00 C ATOM 0 H MET A 43 -6.238 -9.045 -5.009 1.00 0.00 H new ATOM 0 HA MET A 43 -3.337 -8.547 -4.667 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.458 -6.672 -5.784 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.763 -6.288 -5.556 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.224 -8.196 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.940 -8.300 -7.497 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.930 -5.095 -8.508 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.007 -4.458 -7.243 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.110 -5.970 -6.968 1.00 0.00 H new ATOM 614 N SER A 44 -3.667 -7.298 -2.546 1.00 0.00 N ATOM 615 CA SER A 44 -3.856 -6.721 -1.220 1.00 0.00 C ATOM 616 C SER A 44 -3.588 -5.219 -1.238 1.00 0.00 C ATOM 617 O SER A 44 -2.450 -4.782 -1.416 1.00 0.00 O ATOM 618 CB SER A 44 -2.934 -7.403 -0.207 1.00 0.00 C ATOM 619 OG SER A 44 -1.607 -7.483 -0.698 1.00 0.00 O ATOM 0 H SER A 44 -2.694 -7.476 -2.794 1.00 0.00 H new ATOM 0 HA SER A 44 -4.892 -6.884 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.945 -6.848 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.305 -8.404 0.011 1.00 0.00 H new ATOM 0 HG SER A 44 -1.342 -6.615 -1.068 1.00 0.00 H new ATOM 625 N CYS A 45 -4.643 -4.434 -1.053 1.00 0.00 N ATOM 626 CA CYS A 45 -4.524 -2.981 -1.048 1.00 0.00 C ATOM 627 C CYS A 45 -4.291 -2.459 0.367 1.00 0.00 C ATOM 628 O CYS A 45 -5.001 -2.829 1.303 1.00 0.00 O ATOM 629 CB CYS A 45 -5.784 -2.343 -1.637 1.00 0.00 C ATOM 630 SG CYS A 45 -6.063 -2.734 -3.394 1.00 0.00 S ATOM 0 H CYS A 45 -5.591 -4.780 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.666 -2.710 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.649 -2.672 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.718 -1.261 -1.523 1.00 0.00 H new ATOM 635 N THR A 46 -3.291 -1.595 0.516 1.00 0.00 N ATOM 636 CA THR A 46 -2.963 -1.023 1.815 1.00 0.00 C ATOM 637 C THR A 46 -3.186 0.485 1.824 1.00 0.00 C ATOM 638 O THR A 46 -2.576 1.218 1.045 1.00 0.00 O ATOM 639 CB THR A 46 -1.502 -1.316 2.206 1.00 0.00 C ATOM 640 OG1 THR A 46 -1.160 -2.661 1.850 1.00 0.00 O ATOM 641 CG2 THR A 46 -1.289 -1.112 3.698 1.00 0.00 C ATOM 0 H THR A 46 -2.695 -1.277 -0.248 1.00 0.00 H new ATOM 0 HA THR A 46 -3.627 -1.491 2.542 1.00 0.00 H new ATOM 0 HB THR A 46 -0.859 -0.622 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.229 -2.839 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.250 -1.325 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.522 -0.080 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.942 -1.785 4.254 1.00 0.00 H new ATOM 649 N CYS A 47 -4.063 0.944 2.711 1.00 0.00 N ATOM 650 CA CYS A 47 -4.367 2.365 2.821 1.00 0.00 C ATOM 651 C CYS A 47 -3.206 3.122 3.460 1.00 0.00 C ATOM 652 O CYS A 47 -3.157 3.294 4.679 1.00 0.00 O ATOM 653 CB CYS A 47 -5.640 2.573 3.645 1.00 0.00 C ATOM 654 SG CYS A 47 -6.576 4.072 3.200 1.00 0.00 S ATOM 0 H CYS A 47 -4.576 0.352 3.364 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.524 2.756 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.286 1.704 3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.373 2.624 4.700 1.00 0.00 H new ATOM 659 N LEU A 48 -2.272 3.572 2.629 1.00 0.00 N ATOM 660 CA LEU A 48 -1.110 4.311 3.111 1.00 0.00 C ATOM 661 C LEU A 48 -1.524 5.664 3.682 1.00 0.00 C ATOM 662 O LEU A 48 -1.131 6.028 4.789 1.00 0.00 O ATOM 663 CB LEU A 48 -0.101 4.509 1.979 1.00 0.00 C ATOM 664 CG LEU A 48 0.278 3.255 1.190 1.00 0.00 C ATOM 665 CD1 LEU A 48 0.795 3.629 -0.190 1.00 0.00 C ATOM 666 CD2 LEU A 48 1.316 2.441 1.949 1.00 0.00 C ATOM 0 H LEU A 48 -2.297 3.438 1.618 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.644 3.729 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.506 5.243 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.808 4.937 2.401 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.615 2.642 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.060 2.724 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.020 4.169 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.676 4.263 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.574 1.552 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.210 3.045 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.909 2.142 2.915 1.00 0.00 H new ATOM 678 N GLY A 49 -2.322 6.404 2.918 1.00 0.00 N ATOM 679 CA GLY A 49 -2.778 7.707 3.365 1.00 0.00 C ATOM 680 C GLY A 49 -1.933 8.838 2.812 1.00 0.00 C ATOM 681 O GLY A 49 -1.317 9.588 3.567 1.00 0.00 O ATOM 0 H GLY A 49 -2.661 6.124 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.815 7.850 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.758 7.742 4.454 1.00 0.00 H new ATOM 685 N ASN A 50 -1.904 8.959 1.489 1.00 0.00 N ATOM 686 CA ASN A 50 -1.127 10.005 0.834 1.00 0.00 C ATOM 687 C ASN A 50 -2.028 11.151 0.383 1.00 0.00 C ATOM 688 O ASN A 50 -2.465 11.196 -0.766 1.00 0.00 O ATOM 689 CB ASN A 50 -0.372 9.433 -0.367 1.00 0.00 C ATOM 690 CG ASN A 50 0.444 8.206 -0.006 1.00 0.00 C ATOM 691 OD1 ASN A 50 1.015 8.126 1.082 1.00 0.00 O ATOM 692 ND2 ASN A 50 0.502 7.244 -0.919 1.00 0.00 N ATOM 0 H ASN A 50 -2.409 8.346 0.849 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.408 10.393 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.084 9.175 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.288 10.198 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.036 6.395 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.013 7.354 -1.807 1.00 0.00 H new ATOM 699 N GLY A 51 -2.302 12.077 1.297 1.00 0.00 N ATOM 700 CA GLY A 51 -3.149 13.210 0.975 1.00 0.00 C ATOM 701 C GLY A 51 -4.601 12.816 0.793 1.00 0.00 C ATOM 702 O GLY A 51 -5.392 12.878 1.734 1.00 0.00 O ATOM 0 H GLY A 51 -1.952 12.062 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.074 13.953 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.787 13.682 0.062 1.00 0.00 H new ATOM 706 N LYS A 52 -4.954 12.409 -0.422 1.00 0.00 N ATOM 707 CA LYS A 52 -6.321 12.003 -0.726 1.00 0.00 C ATOM 708 C LYS A 52 -6.625 10.630 -0.134 1.00 0.00 C ATOM 709 O LYS A 52 -7.786 10.252 0.018 1.00 0.00 O ATOM 710 CB LYS A 52 -6.543 11.977 -2.240 1.00 0.00 C ATOM 711 CG LYS A 52 -5.317 11.550 -3.027 1.00 0.00 C ATOM 712 CD LYS A 52 -4.450 12.742 -3.399 1.00 0.00 C ATOM 713 CE LYS A 52 -4.856 13.328 -4.743 1.00 0.00 C ATOM 714 NZ LYS A 52 -3.701 13.948 -5.450 1.00 0.00 N ATOM 0 H LYS A 52 -4.312 12.352 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.997 12.731 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.365 11.298 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.849 12.969 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.733 10.844 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.628 11.028 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.531 13.508 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.405 12.436 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.285 12.543 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.634 14.077 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.019 14.336 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.307 14.714 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.969 13.228 -5.617 1.00 0.00 H new ATOM 728 N GLY A 53 -5.574 9.888 0.200 1.00 0.00 N ATOM 729 CA GLY A 53 -5.750 8.566 0.773 1.00 0.00 C ATOM 730 C GLY A 53 -5.527 7.461 -0.240 1.00 0.00 C ATOM 731 O GLY A 53 -6.417 6.646 -0.484 1.00 0.00 O ATOM 0 H GLY A 53 -4.603 10.179 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.056 8.438 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.757 8.482 1.182 1.00 0.00 H new ATOM 735 N GLU A 54 -4.338 7.434 -0.833 1.00 0.00 N ATOM 736 CA GLU A 54 -4.003 6.421 -1.827 1.00 0.00 C ATOM 737 C GLU A 54 -3.664 5.093 -1.158 1.00 0.00 C ATOM 738 O GLU A 54 -3.228 5.058 -0.007 1.00 0.00 O ATOM 739 CB GLU A 54 -2.825 6.887 -2.686 1.00 0.00 C ATOM 740 CG GLU A 54 -2.433 5.898 -3.769 1.00 0.00 C ATOM 741 CD GLU A 54 -3.420 5.870 -4.920 1.00 0.00 C ATOM 742 OE1 GLU A 54 -4.618 6.126 -4.678 1.00 0.00 O ATOM 743 OE2 GLU A 54 -2.995 5.594 -6.061 1.00 0.00 O ATOM 0 H GLU A 54 -3.591 8.102 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.874 6.274 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.080 7.840 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.965 7.067 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.444 6.155 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.358 4.901 -3.335 1.00 0.00 H new ATOM 750 N PHE A 55 -3.869 4.000 -1.887 1.00 0.00 N ATOM 751 CA PHE A 55 -3.587 2.669 -1.364 1.00 0.00 C ATOM 752 C PHE A 55 -2.653 1.904 -2.298 1.00 0.00 C ATOM 753 O PHE A 55 -2.673 2.102 -3.513 1.00 0.00 O ATOM 754 CB PHE A 55 -4.889 1.887 -1.174 1.00 0.00 C ATOM 755 CG PHE A 55 -5.833 2.003 -2.336 1.00 0.00 C ATOM 756 CD1 PHE A 55 -5.504 1.464 -3.569 1.00 0.00 C ATOM 757 CD2 PHE A 55 -7.050 2.649 -2.195 1.00 0.00 C ATOM 758 CE1 PHE A 55 -6.371 1.570 -4.640 1.00 0.00 C ATOM 759 CE2 PHE A 55 -7.922 2.758 -3.262 1.00 0.00 C ATOM 760 CZ PHE A 55 -7.582 2.217 -4.486 1.00 0.00 C ATOM 0 H PHE A 55 -4.229 4.011 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.094 2.782 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.652 0.835 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.389 2.243 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.560 0.955 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.321 3.073 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.102 1.147 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.867 3.265 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.261 2.299 -5.321 1.00 0.00 H new ATOM 770 N LYS A 56 -1.835 1.030 -1.722 1.00 0.00 N ATOM 771 CA LYS A 56 -0.893 0.235 -2.500 1.00 0.00 C ATOM 772 C LYS A 56 -1.412 -1.186 -2.694 1.00 0.00 C ATOM 773 O LYS A 56 -1.505 -1.960 -1.741 1.00 0.00 O ATOM 774 CB LYS A 56 0.471 0.201 -1.808 1.00 0.00 C ATOM 775 CG LYS A 56 1.621 -0.121 -2.746 1.00 0.00 C ATOM 776 CD LYS A 56 2.004 1.083 -3.591 1.00 0.00 C ATOM 777 CE LYS A 56 3.067 1.929 -2.907 1.00 0.00 C ATOM 778 NZ LYS A 56 3.794 2.795 -3.876 1.00 0.00 N ATOM 0 H LYS A 56 -1.806 0.854 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.785 0.701 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.655 1.168 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.446 -0.541 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.484 -0.449 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.340 -0.949 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.373 0.746 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.120 1.692 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.600 2.551 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.777 1.278 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.510 3.356 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.261 2.201 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.120 3.434 -4.344 1.00 0.00 H new ATOM 792 N CYS A 57 -1.749 -1.524 -3.934 1.00 0.00 N ATOM 793 CA CYS A 57 -2.257 -2.852 -4.255 1.00 0.00 C ATOM 794 C CYS A 57 -1.215 -3.665 -5.018 1.00 0.00 C ATOM 795 O CYS A 57 -0.872 -3.342 -6.155 1.00 0.00 O ATOM 796 CB CYS A 57 -3.541 -2.745 -5.080 1.00 0.00 C ATOM 797 SG CYS A 57 -4.757 -1.564 -4.413 1.00 0.00 S ATOM 0 H CYS A 57 -1.679 -0.895 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.477 -3.365 -3.318 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.283 -2.449 -6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.003 -3.730 -5.142 1.00 0.00 H new ATOM 802 N ASP A 58 -0.715 -4.720 -4.384 1.00 0.00 N ATOM 803 CA ASP A 58 0.287 -5.580 -5.003 1.00 0.00 C ATOM 804 C ASP A 58 -0.171 -7.035 -5.003 1.00 0.00 C ATOM 805 O ASP A 58 -0.863 -7.493 -4.093 1.00 0.00 O ATOM 806 CB ASP A 58 1.622 -5.452 -4.269 1.00 0.00 C ATOM 807 CG ASP A 58 1.474 -5.594 -2.767 1.00 0.00 C ATOM 808 OD1 ASP A 58 1.450 -6.743 -2.279 1.00 0.00 O ATOM 809 OD2 ASP A 58 1.380 -4.555 -2.079 1.00 0.00 O ATOM 0 H ASP A 58 -0.987 -5.000 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 58 0.417 -5.260 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.310 -6.213 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.067 -4.484 -4.497 1.00 0.00 H new ATOM 814 N PRO A 59 0.223 -7.780 -6.046 1.00 0.00 N ATOM 815 CA PRO A 59 -0.136 -9.194 -6.190 1.00 0.00 C ATOM 816 C PRO A 59 0.570 -10.078 -5.168 1.00 0.00 C ATOM 817 O PRO A 59 1.795 -10.048 -5.047 1.00 0.00 O ATOM 818 CB PRO A 59 0.331 -9.536 -7.607 1.00 0.00 C ATOM 819 CG PRO A 59 1.422 -8.562 -7.891 1.00 0.00 C ATOM 820 CD PRO A 59 1.049 -7.299 -7.166 1.00 0.00 C ATOM 0 HA PRO A 59 -1.200 -9.363 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.691 -10.563 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.483 -9.440 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.383 -8.941 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.517 -8.384 -8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.930 -6.762 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.495 -6.615 -7.809 1.00 0.00 H new ATOM 828 N HIS A 60 -0.210 -10.864 -4.433 1.00 0.00 N ATOM 829 CA HIS A 60 0.341 -11.758 -3.421 1.00 0.00 C ATOM 830 C HIS A 60 1.621 -12.421 -3.921 1.00 0.00 C ATOM 831 O HIS A 60 1.788 -12.643 -5.120 1.00 0.00 O ATOM 832 CB HIS A 60 -0.684 -12.826 -3.040 1.00 0.00 C ATOM 833 CG HIS A 60 -1.596 -12.411 -1.927 1.00 0.00 C ATOM 834 ND1 HIS A 60 -2.125 -13.301 -1.016 1.00 0.00 N ATOM 835 CD2 HIS A 60 -2.071 -11.193 -1.579 1.00 0.00 C ATOM 836 CE1 HIS A 60 -2.887 -12.648 -0.157 1.00 0.00 C ATOM 837 NE2 HIS A 60 -2.871 -11.366 -0.477 1.00 0.00 N ATOM 0 H HIS A 60 -1.226 -10.900 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 60 0.580 -11.164 -2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.283 -13.072 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.158 -13.735 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.860 -10.258 -2.076 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.430 -13.087 0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.372 -10.626 0.015 1.00 0.00 H new ATOM 846 N GLU A 61 2.522 -12.733 -2.994 1.00 0.00 N ATOM 847 CA GLU A 61 3.787 -13.368 -3.342 1.00 0.00 C ATOM 848 C GLU A 61 3.574 -14.829 -3.730 1.00 0.00 C ATOM 849 O GLU A 61 2.449 -15.328 -3.715 1.00 0.00 O ATOM 850 CB GLU A 61 4.768 -13.278 -2.171 1.00 0.00 C ATOM 851 CG GLU A 61 5.161 -11.854 -1.815 1.00 0.00 C ATOM 852 CD GLU A 61 6.444 -11.787 -1.010 1.00 0.00 C ATOM 853 OE1 GLU A 61 6.373 -11.905 0.231 1.00 0.00 O ATOM 854 OE2 GLU A 61 7.520 -11.617 -1.621 1.00 0.00 O ATOM 0 H GLU A 61 2.399 -12.556 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 61 4.205 -12.840 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.322 -13.752 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.667 -13.844 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.280 -11.274 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.355 -11.390 -1.246 1.00 0.00 H new ATOM 861 N ALA A 62 4.662 -15.508 -4.077 1.00 0.00 N ATOM 862 CA ALA A 62 4.596 -16.910 -4.467 1.00 0.00 C ATOM 863 C ALA A 62 4.458 -17.814 -3.247 1.00 0.00 C ATOM 864 O ALA A 62 4.834 -17.437 -2.136 1.00 0.00 O ATOM 865 CB ALA A 62 5.829 -17.293 -5.273 1.00 0.00 C ATOM 0 H ALA A 62 5.601 -15.109 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 62 3.712 -17.046 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.766 -18.343 -5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.883 -16.677 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.722 -17.134 -4.669 1.00 0.00 H new ATOM 871 N THR A 63 3.915 -19.009 -3.459 1.00 0.00 N ATOM 872 CA THR A 63 3.725 -19.965 -2.376 1.00 0.00 C ATOM 873 C THR A 63 5.061 -20.401 -1.787 1.00 0.00 C ATOM 874 O THR A 63 5.192 -20.566 -0.573 1.00 0.00 O ATOM 875 CB THR A 63 2.957 -21.211 -2.855 1.00 0.00 C ATOM 876 OG1 THR A 63 3.399 -21.586 -4.165 1.00 0.00 O ATOM 877 CG2 THR A 63 1.459 -20.949 -2.876 1.00 0.00 C ATOM 0 H THR A 63 3.599 -19.337 -4.372 1.00 0.00 H new ATOM 0 HA THR A 63 3.140 -19.460 -1.608 1.00 0.00 H new ATOM 0 HB THR A 63 3.158 -22.024 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.907 -22.380 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.938 -21.843 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.120 -20.693 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.244 -20.123 -3.553 1.00 0.00 H new ATOM 885 N CYS A 64 6.052 -20.586 -2.652 1.00 0.00 N ATOM 886 CA CYS A 64 7.380 -21.003 -2.217 1.00 0.00 C ATOM 887 C CYS A 64 7.778 -20.293 -0.927 1.00 0.00 C ATOM 888 O CYS A 64 7.360 -19.162 -0.675 1.00 0.00 O ATOM 889 CB CYS A 64 8.411 -20.717 -3.310 1.00 0.00 C ATOM 890 SG CYS A 64 9.986 -21.575 -3.081 1.00 0.00 S ATOM 0 H CYS A 64 5.961 -20.454 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 64 7.352 -22.076 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.991 -21.002 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 64 8.596 -19.644 -3.348 1.00 0.00 H new ATOM 0 HG CYS A 64 10.791 -21.272 -4.056 1.00 0.00 H new ATOM 896 N TYR A 65 8.585 -20.964 -0.113 1.00 0.00 N ATOM 897 CA TYR A 65 9.036 -20.399 1.153 1.00 0.00 C ATOM 898 C TYR A 65 9.330 -18.908 1.010 1.00 0.00 C ATOM 899 O TYR A 65 8.825 -18.088 1.777 1.00 0.00 O ATOM 900 CB TYR A 65 10.284 -21.131 1.647 1.00 0.00 C ATOM 901 CG TYR A 65 9.978 -22.362 2.470 1.00 0.00 C ATOM 902 CD1 TYR A 65 9.329 -23.454 1.908 1.00 0.00 C ATOM 903 CD2 TYR A 65 10.340 -22.433 3.810 1.00 0.00 C ATOM 904 CE1 TYR A 65 9.046 -24.580 2.657 1.00 0.00 C ATOM 905 CE2 TYR A 65 10.063 -23.556 4.566 1.00 0.00 C ATOM 906 CZ TYR A 65 9.416 -24.626 3.985 1.00 0.00 C ATOM 907 OH TYR A 65 9.138 -25.747 4.734 1.00 0.00 O ATOM 0 H TYR A 65 8.940 -21.900 -0.307 1.00 0.00 H new ATOM 0 HA TYR A 65 8.237 -20.525 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.889 -21.420 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.885 -20.445 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.041 -23.422 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.846 -21.596 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.538 -25.419 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.352 -23.595 5.606 1.00 0.00 H new ATOM 0 HH TYR A 65 9.465 -25.619 5.649 1.00 0.00 H new ATOM 917 N ASP A 66 10.150 -18.566 0.023 1.00 0.00 N ATOM 918 CA ASP A 66 10.511 -17.175 -0.223 1.00 0.00 C ATOM 919 C ASP A 66 10.842 -16.951 -1.695 1.00 0.00 C ATOM 920 O ASP A 66 11.088 -17.902 -2.438 1.00 0.00 O ATOM 921 CB ASP A 66 11.704 -16.774 0.647 1.00 0.00 C ATOM 922 CG ASP A 66 12.979 -17.489 0.246 1.00 0.00 C ATOM 923 OD1 ASP A 66 13.114 -18.686 0.572 1.00 0.00 O ATOM 924 OD2 ASP A 66 13.842 -16.851 -0.393 1.00 0.00 O ATOM 0 H ASP A 66 10.577 -19.233 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 66 9.655 -16.552 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.857 -15.697 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.480 -16.995 1.690 1.00 0.00 H new ATOM 929 N ASP A 67 10.844 -15.690 -2.111 1.00 0.00 N ATOM 930 CA ASP A 67 11.144 -15.341 -3.495 1.00 0.00 C ATOM 931 C ASP A 67 12.548 -14.756 -3.616 1.00 0.00 C ATOM 932 O ASP A 67 12.926 -13.861 -2.861 1.00 0.00 O ATOM 933 CB ASP A 67 10.115 -14.342 -4.026 1.00 0.00 C ATOM 934 CG ASP A 67 10.370 -12.931 -3.535 1.00 0.00 C ATOM 935 OD1 ASP A 67 10.610 -12.759 -2.321 1.00 0.00 O ATOM 936 OD2 ASP A 67 10.331 -11.999 -4.364 1.00 0.00 O ATOM 0 H ASP A 67 10.641 -14.892 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 67 11.096 -16.252 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.132 -14.353 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.117 -14.655 -3.719 1.00 0.00 H new ATOM 941 N GLY A 68 13.318 -15.270 -4.571 1.00 0.00 N ATOM 942 CA GLY A 68 14.672 -14.788 -4.772 1.00 0.00 C ATOM 943 C GLY A 68 15.423 -15.589 -5.816 1.00 0.00 C ATOM 944 O GLY A 68 15.495 -15.192 -6.979 1.00 0.00 O ATOM 0 H GLY A 68 13.028 -16.011 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.641 -13.741 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.214 -14.830 -3.827 1.00 0.00 H new TER 948 GLY A 68