USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.681 K(o=-1.2,f=-2.5) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= -0.503 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0649 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -60:sc= 0.83 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 30:sc= -0.0831 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -161:sc= -0.635 (180deg=-1.45) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.929 8.932 20.599 1.00 0.00 N ATOM 2 CA GLY A 1 -11.489 8.948 20.774 1.00 0.00 C ATOM 3 C GLY A 1 -10.752 8.385 19.575 1.00 0.00 C ATOM 4 O GLY A 1 -11.344 8.180 18.515 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.303 9.896 20.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.159 8.577 19.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.359 8.311 21.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.159 9.972 20.951 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.228 8.371 21.661 1.00 0.00 H new ATOM 8 N SER A 2 -9.457 8.136 19.741 1.00 0.00 N ATOM 9 CA SER A 2 -8.638 7.599 18.661 1.00 0.00 C ATOM 10 C SER A 2 -8.445 6.095 18.821 1.00 0.00 C ATOM 11 O SER A 2 -7.322 5.592 18.768 1.00 0.00 O ATOM 12 CB SER A 2 -7.277 8.299 18.628 1.00 0.00 C ATOM 13 OG SER A 2 -6.639 8.231 19.892 1.00 0.00 O ATOM 0 H SER A 2 -8.953 8.298 20.613 1.00 0.00 H new ATOM 0 HA SER A 2 -9.156 7.783 17.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.644 7.835 17.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.407 9.342 18.338 1.00 0.00 H new ATOM 0 HG SER A 2 -5.771 8.683 19.845 1.00 0.00 H new ATOM 19 N SER A 3 -9.549 5.381 19.018 1.00 0.00 N ATOM 20 CA SER A 3 -9.503 3.933 19.191 1.00 0.00 C ATOM 21 C SER A 3 -9.931 3.220 17.912 1.00 0.00 C ATOM 22 O SER A 3 -10.759 2.311 17.943 1.00 0.00 O ATOM 23 CB SER A 3 -10.403 3.508 20.352 1.00 0.00 C ATOM 24 OG SER A 3 -10.374 2.103 20.532 1.00 0.00 O ATOM 0 H SER A 3 -10.486 5.781 19.062 1.00 0.00 H new ATOM 0 HA SER A 3 -8.475 3.651 19.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.078 4.002 21.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.426 3.832 20.161 1.00 0.00 H new ATOM 0 HG SER A 3 -10.690 1.662 19.716 1.00 0.00 H new ATOM 30 N GLY A 4 -9.359 3.640 16.787 1.00 0.00 N ATOM 31 CA GLY A 4 -9.694 3.032 15.513 1.00 0.00 C ATOM 32 C GLY A 4 -10.885 3.694 14.849 1.00 0.00 C ATOM 33 O GLY A 4 -11.492 4.604 15.413 1.00 0.00 O ATOM 0 H GLY A 4 -8.670 4.390 16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.832 3.091 14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.908 1.974 15.664 1.00 0.00 H new ATOM 37 N SER A 5 -11.219 3.237 13.646 1.00 0.00 N ATOM 38 CA SER A 5 -12.342 3.795 12.902 1.00 0.00 C ATOM 39 C SER A 5 -13.210 2.686 12.315 1.00 0.00 C ATOM 40 O SER A 5 -14.421 2.649 12.533 1.00 0.00 O ATOM 41 CB SER A 5 -11.837 4.709 11.784 1.00 0.00 C ATOM 42 OG SER A 5 -11.026 5.749 12.303 1.00 0.00 O ATOM 0 H SER A 5 -10.728 2.482 13.166 1.00 0.00 H new ATOM 0 HA SER A 5 -12.949 4.380 13.593 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.267 4.125 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.685 5.137 11.249 1.00 0.00 H new ATOM 0 HG SER A 5 -10.715 6.318 11.569 1.00 0.00 H new ATOM 48 N SER A 6 -12.581 1.784 11.568 1.00 0.00 N ATOM 49 CA SER A 6 -13.294 0.676 10.945 1.00 0.00 C ATOM 50 C SER A 6 -12.377 -0.531 10.770 1.00 0.00 C ATOM 51 O SER A 6 -12.769 -1.667 11.034 1.00 0.00 O ATOM 52 CB SER A 6 -13.859 1.103 9.589 1.00 0.00 C ATOM 53 OG SER A 6 -14.773 0.141 9.092 1.00 0.00 O ATOM 0 H SER A 6 -11.579 1.799 11.380 1.00 0.00 H new ATOM 0 HA SER A 6 -14.118 0.392 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.358 2.067 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.044 1.237 8.878 1.00 0.00 H new ATOM 0 HG SER A 6 -15.121 0.438 8.225 1.00 0.00 H new ATOM 59 N GLY A 7 -11.151 -0.275 10.321 1.00 0.00 N ATOM 60 CA GLY A 7 -10.196 -1.348 10.118 1.00 0.00 C ATOM 61 C GLY A 7 -8.958 -0.889 9.374 1.00 0.00 C ATOM 62 O GLY A 7 -8.242 0.001 9.835 1.00 0.00 O ATOM 0 H GLY A 7 -10.803 0.657 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.904 -1.758 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.673 -2.154 9.561 1.00 0.00 H new ATOM 66 N HIS A 8 -8.702 -1.499 8.221 1.00 0.00 N ATOM 67 CA HIS A 8 -7.540 -1.148 7.412 1.00 0.00 C ATOM 68 C HIS A 8 -7.726 0.217 6.757 1.00 0.00 C ATOM 69 O HIS A 8 -8.819 0.782 6.779 1.00 0.00 O ATOM 70 CB HIS A 8 -7.298 -2.212 6.341 1.00 0.00 C ATOM 71 CG HIS A 8 -6.782 -3.507 6.889 1.00 0.00 C ATOM 72 ND1 HIS A 8 -7.021 -3.926 8.180 1.00 0.00 N ATOM 73 CD2 HIS A 8 -6.038 -4.479 6.311 1.00 0.00 C ATOM 74 CE1 HIS A 8 -6.444 -5.099 8.374 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.841 -5.456 7.255 1.00 0.00 N ATOM 0 H HIS A 8 -9.283 -2.238 7.826 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.672 -1.100 8.069 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.231 -2.398 5.808 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.586 -1.826 5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.668 -4.485 5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.463 -5.668 9.291 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.314 -6.318 7.115 1.00 0.00 H new ATOM 83 N GLU A 9 -6.651 0.742 6.177 1.00 0.00 N ATOM 84 CA GLU A 9 -6.697 2.041 5.518 1.00 0.00 C ATOM 85 C GLU A 9 -7.715 2.039 4.381 1.00 0.00 C ATOM 86 O GLU A 9 -8.442 1.065 4.187 1.00 0.00 O ATOM 87 CB GLU A 9 -5.314 2.414 4.978 1.00 0.00 C ATOM 88 CG GLU A 9 -4.193 2.208 5.983 1.00 0.00 C ATOM 89 CD GLU A 9 -4.460 2.902 7.305 1.00 0.00 C ATOM 90 OE1 GLU A 9 -4.320 4.142 7.363 1.00 0.00 O ATOM 91 OE2 GLU A 9 -4.809 2.206 8.280 1.00 0.00 O ATOM 0 H GLU A 9 -5.738 0.287 6.150 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.003 2.783 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.108 1.818 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.324 3.459 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.058 1.141 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.260 2.582 5.562 1.00 0.00 H new ATOM 98 N ASP A 10 -7.760 3.136 3.633 1.00 0.00 N ATOM 99 CA ASP A 10 -8.687 3.262 2.515 1.00 0.00 C ATOM 100 C ASP A 10 -8.208 4.320 1.527 1.00 0.00 C ATOM 101 O ASP A 10 -9.007 4.919 0.807 1.00 0.00 O ATOM 102 CB ASP A 10 -10.086 3.616 3.022 1.00 0.00 C ATOM 103 CG ASP A 10 -10.823 2.412 3.576 1.00 0.00 C ATOM 104 OD1 ASP A 10 -11.340 1.610 2.770 1.00 0.00 O ATOM 105 OD2 ASP A 10 -10.883 2.272 4.815 1.00 0.00 O ATOM 0 H ASP A 10 -7.165 3.951 3.781 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.727 2.302 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.006 4.378 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.666 4.050 2.207 1.00 0.00 H new ATOM 110 N PHE A 11 -6.899 4.547 1.500 1.00 0.00 N ATOM 111 CA PHE A 11 -6.313 5.536 0.602 1.00 0.00 C ATOM 112 C PHE A 11 -4.931 5.090 0.130 1.00 0.00 C ATOM 113 O PHE A 11 -4.144 4.544 0.904 1.00 0.00 O ATOM 114 CB PHE A 11 -6.212 6.893 1.300 1.00 0.00 C ATOM 115 CG PHE A 11 -7.465 7.287 2.028 1.00 0.00 C ATOM 116 CD1 PHE A 11 -7.656 6.926 3.352 1.00 0.00 C ATOM 117 CD2 PHE A 11 -8.453 8.019 1.388 1.00 0.00 C ATOM 118 CE1 PHE A 11 -8.808 7.287 4.025 1.00 0.00 C ATOM 119 CE2 PHE A 11 -9.607 8.383 2.056 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.785 8.015 3.376 1.00 0.00 C ATOM 0 H PHE A 11 -6.224 4.060 2.089 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.963 5.630 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.383 6.868 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.976 7.657 0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.895 6.356 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.320 8.308 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.944 7.000 5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.369 8.955 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.687 8.296 3.899 1.00 0.00 H new ATOM 130 N CYS A 12 -4.644 5.327 -1.145 1.00 0.00 N ATOM 131 CA CYS A 12 -3.359 4.950 -1.723 1.00 0.00 C ATOM 132 C CYS A 12 -2.206 5.489 -0.881 1.00 0.00 C ATOM 133 O CYS A 12 -2.239 6.631 -0.422 1.00 0.00 O ATOM 134 CB CYS A 12 -3.247 5.474 -3.156 1.00 0.00 C ATOM 135 SG CYS A 12 -1.771 4.889 -4.048 1.00 0.00 S ATOM 0 H CYS A 12 -5.284 5.779 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.299 3.862 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.136 5.175 -3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.237 6.564 -3.133 1.00 0.00 H new ATOM 140 N SER A 13 -1.187 4.659 -0.684 1.00 0.00 N ATOM 141 CA SER A 13 -0.024 5.050 0.105 1.00 0.00 C ATOM 142 C SER A 13 1.088 5.583 -0.794 1.00 0.00 C ATOM 143 O SER A 13 2.268 5.318 -0.565 1.00 0.00 O ATOM 144 CB SER A 13 0.489 3.861 0.919 1.00 0.00 C ATOM 145 OG SER A 13 0.821 4.253 2.240 1.00 0.00 O ATOM 0 H SER A 13 -1.143 3.712 -1.060 1.00 0.00 H new ATOM 0 HA SER A 13 -0.328 5.844 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.272 3.081 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.365 3.434 0.432 1.00 0.00 H new ATOM 0 HG SER A 13 1.145 3.475 2.740 1.00 0.00 H new ATOM 151 N VAL A 14 0.701 6.338 -1.818 1.00 0.00 N ATOM 152 CA VAL A 14 1.664 6.910 -2.751 1.00 0.00 C ATOM 153 C VAL A 14 1.158 8.231 -3.321 1.00 0.00 C ATOM 154 O VAL A 14 1.896 9.214 -3.387 1.00 0.00 O ATOM 155 CB VAL A 14 1.963 5.943 -3.912 1.00 0.00 C ATOM 156 CG1 VAL A 14 2.945 6.570 -4.890 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.498 4.622 -3.381 1.00 0.00 C ATOM 0 H VAL A 14 -0.272 6.567 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 14 2.582 7.087 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 14 1.033 5.744 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.144 5.872 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.519 7.488 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.877 6.800 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.704 3.951 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.417 4.800 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.757 4.167 -2.724 1.00 0.00 H new ATOM 167 N CYS A 15 -0.105 8.246 -3.732 1.00 0.00 N ATOM 168 CA CYS A 15 -0.712 9.446 -4.297 1.00 0.00 C ATOM 169 C CYS A 15 -1.853 9.944 -3.416 1.00 0.00 C ATOM 170 O CYS A 15 -2.192 11.128 -3.432 1.00 0.00 O ATOM 171 CB CYS A 15 -1.228 9.165 -5.709 1.00 0.00 C ATOM 172 SG CYS A 15 -2.577 7.942 -5.778 1.00 0.00 S ATOM 0 H CYS A 15 -0.729 7.440 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 15 0.052 10.222 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.576 10.099 -6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.400 8.812 -6.323 1.00 0.00 H new ATOM 177 N ARG A 16 -2.442 9.034 -2.647 1.00 0.00 N ATOM 178 CA ARG A 16 -3.545 9.380 -1.760 1.00 0.00 C ATOM 179 C ARG A 16 -4.751 9.869 -2.557 1.00 0.00 C ATOM 180 O ARG A 16 -4.923 11.070 -2.771 1.00 0.00 O ATOM 181 CB ARG A 16 -3.109 10.457 -0.764 1.00 0.00 C ATOM 182 CG ARG A 16 -2.829 9.919 0.630 1.00 0.00 C ATOM 183 CD ARG A 16 -1.994 10.893 1.445 1.00 0.00 C ATOM 184 NE ARG A 16 -2.821 11.750 2.290 1.00 0.00 N ATOM 185 CZ ARG A 16 -2.349 12.447 3.318 1.00 0.00 C ATOM 186 NH1 ARG A 16 -1.060 12.388 3.626 1.00 0.00 N ATOM 187 NH2 ARG A 16 -3.165 13.204 4.039 1.00 0.00 N ATOM 0 H ARG A 16 -2.173 8.050 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.832 8.482 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.212 10.948 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.887 11.218 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.771 9.728 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.307 8.965 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.294 10.337 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.400 11.512 0.773 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.817 11.817 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.430 11.807 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.699 12.924 4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.157 13.252 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.801 13.738 4.828 1.00 0.00 H new ATOM 201 N LYS A 17 -5.584 8.931 -2.996 1.00 0.00 N ATOM 202 CA LYS A 17 -6.774 9.265 -3.769 1.00 0.00 C ATOM 203 C LYS A 17 -7.942 8.363 -3.385 1.00 0.00 C ATOM 204 O LYS A 17 -7.806 7.482 -2.537 1.00 0.00 O ATOM 205 CB LYS A 17 -6.487 9.136 -5.267 1.00 0.00 C ATOM 206 CG LYS A 17 -6.165 10.459 -5.940 1.00 0.00 C ATOM 207 CD LYS A 17 -5.873 10.275 -7.420 1.00 0.00 C ATOM 208 CE LYS A 17 -5.775 11.612 -8.139 1.00 0.00 C ATOM 209 NZ LYS A 17 -4.607 12.408 -7.672 1.00 0.00 N ATOM 0 H LYS A 17 -5.456 7.933 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.045 10.297 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.651 8.452 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.352 8.690 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.003 11.145 -5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.304 10.916 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.940 9.726 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.659 9.673 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.693 11.442 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.691 12.180 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.575 13.312 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.698 12.592 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.731 11.877 -7.851 1.00 0.00 H new ATOM 223 N SER A 18 -9.090 8.588 -4.017 1.00 0.00 N ATOM 224 CA SER A 18 -10.283 7.796 -3.740 1.00 0.00 C ATOM 225 C SER A 18 -10.585 6.846 -4.895 1.00 0.00 C ATOM 226 O SER A 18 -10.202 7.097 -6.037 1.00 0.00 O ATOM 227 CB SER A 18 -11.483 8.712 -3.492 1.00 0.00 C ATOM 228 OG SER A 18 -12.344 8.740 -4.617 1.00 0.00 O ATOM 0 H SER A 18 -9.219 9.312 -4.724 1.00 0.00 H new ATOM 0 HA SER A 18 -10.095 7.204 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.034 8.366 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.135 9.721 -3.271 1.00 0.00 H new ATOM 0 HG SER A 18 -13.104 9.331 -4.433 1.00 0.00 H new ATOM 234 N GLY A 19 -11.275 5.751 -4.588 1.00 0.00 N ATOM 235 CA GLY A 19 -11.617 4.779 -5.609 1.00 0.00 C ATOM 236 C GLY A 19 -11.341 3.355 -5.170 1.00 0.00 C ATOM 237 O GLY A 19 -11.582 2.998 -4.017 1.00 0.00 O ATOM 0 H GLY A 19 -11.603 5.520 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.672 4.879 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.049 4.993 -6.515 1.00 0.00 H new ATOM 241 N GLN A 20 -10.837 2.540 -6.090 1.00 0.00 N ATOM 242 CA GLN A 20 -10.531 1.146 -5.791 1.00 0.00 C ATOM 243 C GLN A 20 -9.069 0.984 -5.389 1.00 0.00 C ATOM 244 O GLN A 20 -8.167 1.454 -6.084 1.00 0.00 O ATOM 245 CB GLN A 20 -10.840 0.263 -7.001 1.00 0.00 C ATOM 246 CG GLN A 20 -12.297 0.309 -7.431 1.00 0.00 C ATOM 247 CD GLN A 20 -13.058 -0.947 -7.054 1.00 0.00 C ATOM 248 OE1 GLN A 20 -13.604 -1.050 -5.956 1.00 0.00 O ATOM 249 NE2 GLN A 20 -13.097 -1.912 -7.966 1.00 0.00 N ATOM 0 H GLN A 20 -10.632 2.821 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.156 0.835 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.213 0.574 -7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.571 -0.767 -6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.780 1.173 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.349 0.450 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.630 -1.784 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.594 -2.781 -7.768 1.00 0.00 H new ATOM 258 N LEU A 21 -8.840 0.316 -4.264 1.00 0.00 N ATOM 259 CA LEU A 21 -7.487 0.091 -3.768 1.00 0.00 C ATOM 260 C LEU A 21 -7.265 -1.381 -3.438 1.00 0.00 C ATOM 261 O LEU A 21 -8.195 -2.088 -3.048 1.00 0.00 O ATOM 262 CB LEU A 21 -7.228 0.949 -2.528 1.00 0.00 C ATOM 263 CG LEU A 21 -6.468 2.255 -2.762 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.838 3.284 -1.705 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.967 2.006 -2.764 1.00 0.00 C ATOM 0 H LEU A 21 -9.575 -0.080 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.787 0.377 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.187 1.188 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.670 0.351 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.752 2.648 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.288 4.207 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.908 3.485 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.584 2.899 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.442 2.947 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.666 1.589 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.716 1.304 -3.559 1.00 0.00 H new ATOM 277 N LEU A 22 -6.027 -1.837 -3.595 1.00 0.00 N ATOM 278 CA LEU A 22 -5.682 -3.226 -3.311 1.00 0.00 C ATOM 279 C LEU A 22 -5.397 -3.423 -1.825 1.00 0.00 C ATOM 280 O LEU A 22 -5.002 -2.488 -1.129 1.00 0.00 O ATOM 281 CB LEU A 22 -4.464 -3.648 -4.136 1.00 0.00 C ATOM 282 CG LEU A 22 -4.350 -5.140 -4.448 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.551 -5.610 -5.255 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.057 -5.431 -5.195 1.00 0.00 C ATOM 0 H LEU A 22 -5.246 -1.266 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.533 -3.850 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.481 -3.100 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.565 -3.339 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.334 -5.688 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.452 -6.674 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.463 -5.437 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.599 -5.056 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.993 -6.498 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.044 -4.872 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.207 -5.132 -4.581 1.00 0.00 H new ATOM 296 N MET A 23 -5.598 -4.647 -1.347 1.00 0.00 N ATOM 297 CA MET A 23 -5.359 -4.968 0.055 1.00 0.00 C ATOM 298 C MET A 23 -4.302 -6.058 0.191 1.00 0.00 C ATOM 299 O MET A 23 -4.297 -7.031 -0.565 1.00 0.00 O ATOM 300 CB MET A 23 -6.659 -5.416 0.726 1.00 0.00 C ATOM 301 CG MET A 23 -7.812 -4.446 0.526 1.00 0.00 C ATOM 302 SD MET A 23 -9.111 -4.645 1.761 1.00 0.00 S ATOM 303 CE MET A 23 -10.056 -3.146 1.504 1.00 0.00 C ATOM 0 H MET A 23 -5.926 -5.432 -1.910 1.00 0.00 H new ATOM 0 HA MET A 23 -4.993 -4.069 0.550 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.944 -6.392 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.482 -5.542 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.433 -3.425 0.565 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.236 -4.592 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.897 -3.123 2.197 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.418 -2.279 1.678 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.429 -3.122 0.480 1.00 0.00 H new ATOM 313 N CYS A 24 -3.406 -5.890 1.158 1.00 0.00 N ATOM 314 CA CYS A 24 -2.342 -6.859 1.392 1.00 0.00 C ATOM 315 C CYS A 24 -2.834 -8.005 2.272 1.00 0.00 C ATOM 316 O CYS A 24 -3.654 -7.804 3.169 1.00 0.00 O ATOM 317 CB CYS A 24 -1.139 -6.179 2.048 1.00 0.00 C ATOM 318 SG CYS A 24 0.274 -7.290 2.343 1.00 0.00 S ATOM 0 H CYS A 24 -3.396 -5.091 1.792 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.039 -7.268 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.812 -5.353 1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.453 -5.748 2.999 1.00 0.00 H new ATOM 323 N ASP A 25 -2.328 -9.205 2.010 1.00 0.00 N ATOM 324 CA ASP A 25 -2.715 -10.382 2.778 1.00 0.00 C ATOM 325 C ASP A 25 -1.719 -10.649 3.902 1.00 0.00 C ATOM 326 O ASP A 25 -1.348 -11.794 4.160 1.00 0.00 O ATOM 327 CB ASP A 25 -2.810 -11.605 1.864 1.00 0.00 C ATOM 328 CG ASP A 25 -3.981 -12.501 2.216 1.00 0.00 C ATOM 329 OD1 ASP A 25 -3.987 -13.059 3.334 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.892 -12.645 1.374 1.00 0.00 O ATOM 0 H ASP A 25 -1.649 -9.388 1.271 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.693 -10.191 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.907 -11.275 0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.885 -12.178 1.931 1.00 0.00 H new ATOM 335 N THR A 26 -1.288 -9.582 4.569 1.00 0.00 N ATOM 336 CA THR A 26 -0.334 -9.700 5.664 1.00 0.00 C ATOM 337 C THR A 26 -0.381 -8.474 6.569 1.00 0.00 C ATOM 338 O THR A 26 -0.781 -8.561 7.730 1.00 0.00 O ATOM 339 CB THR A 26 1.103 -9.882 5.140 1.00 0.00 C ATOM 340 OG1 THR A 26 1.097 -9.957 3.710 1.00 0.00 O ATOM 341 CG2 THR A 26 1.734 -11.141 5.716 1.00 0.00 C ATOM 0 H THR A 26 -1.585 -8.627 4.369 1.00 0.00 H new ATOM 0 HA THR A 26 -0.619 -10.582 6.237 1.00 0.00 H new ATOM 0 HB THR A 26 1.693 -9.022 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.908 -9.071 3.337 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.748 -11.248 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.764 -11.068 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.143 -12.010 5.426 1.00 0.00 H new ATOM 349 N CYS A 27 0.030 -7.331 6.030 1.00 0.00 N ATOM 350 CA CYS A 27 0.035 -6.085 6.788 1.00 0.00 C ATOM 351 C CYS A 27 -1.279 -5.331 6.603 1.00 0.00 C ATOM 352 O CYS A 27 -2.235 -5.859 6.036 1.00 0.00 O ATOM 353 CB CYS A 27 1.207 -5.204 6.354 1.00 0.00 C ATOM 354 SG CYS A 27 1.049 -4.533 4.667 1.00 0.00 S ATOM 0 H CYS A 27 0.364 -7.242 5.070 1.00 0.00 H new ATOM 0 HA CYS A 27 0.147 -6.331 7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.304 -4.375 7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.127 -5.785 6.418 1.00 0.00 H new ATOM 359 N SER A 28 -1.317 -4.093 7.085 1.00 0.00 N ATOM 360 CA SER A 28 -2.513 -3.266 6.976 1.00 0.00 C ATOM 361 C SER A 28 -2.234 -2.012 6.154 1.00 0.00 C ATOM 362 O SER A 28 -2.403 -0.891 6.635 1.00 0.00 O ATOM 363 CB SER A 28 -3.018 -2.877 8.367 1.00 0.00 C ATOM 364 OG SER A 28 -4.424 -2.698 8.368 1.00 0.00 O ATOM 0 H SER A 28 -0.533 -3.640 7.555 1.00 0.00 H new ATOM 0 HA SER A 28 -3.282 -3.848 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.746 -3.651 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.531 -1.957 8.690 1.00 0.00 H new ATOM 0 HG SER A 28 -4.722 -2.451 9.269 1.00 0.00 H new ATOM 370 N ARG A 29 -1.805 -2.210 4.912 1.00 0.00 N ATOM 371 CA ARG A 29 -1.501 -1.095 4.022 1.00 0.00 C ATOM 372 C ARG A 29 -2.108 -1.321 2.641 1.00 0.00 C ATOM 373 O ARG A 29 -1.999 -2.407 2.073 1.00 0.00 O ATOM 374 CB ARG A 29 0.013 -0.911 3.901 1.00 0.00 C ATOM 375 CG ARG A 29 0.716 -0.748 5.239 1.00 0.00 C ATOM 376 CD ARG A 29 0.511 0.647 5.810 1.00 0.00 C ATOM 377 NE ARG A 29 0.327 0.623 7.259 1.00 0.00 N ATOM 378 CZ ARG A 29 -0.124 1.658 7.959 1.00 0.00 C ATOM 379 NH1 ARG A 29 -0.436 2.792 7.347 1.00 0.00 N ATOM 380 NH2 ARG A 29 -0.264 1.559 9.275 1.00 0.00 N ATOM 0 H ARG A 29 -1.660 -3.131 4.499 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.938 -0.192 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.435 -1.771 3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.216 -0.035 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.338 -1.490 5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.782 -0.939 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.371 1.270 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.359 1.106 5.341 1.00 0.00 H new ATOM 0 HE ARG A 29 0.557 -0.235 7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.330 2.872 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.782 3.585 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.025 0.688 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.610 2.354 9.812 1.00 0.00 H new ATOM 394 N VAL A 30 -2.750 -0.287 2.107 1.00 0.00 N ATOM 395 CA VAL A 30 -3.375 -0.371 0.792 1.00 0.00 C ATOM 396 C VAL A 30 -2.518 0.311 -0.269 1.00 0.00 C ATOM 397 O VAL A 30 -1.801 1.269 0.020 1.00 0.00 O ATOM 398 CB VAL A 30 -4.776 0.269 0.794 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.725 -0.525 1.678 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.698 1.719 1.249 1.00 0.00 C ATOM 0 H VAL A 30 -2.851 0.619 2.565 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.468 -1.430 0.553 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.166 0.251 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.710 -0.058 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.803 -1.545 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.343 -0.542 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.697 2.156 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.288 1.762 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.054 2.279 0.571 1.00 0.00 H new ATOM 410 N TYR A 31 -2.598 -0.189 -1.497 1.00 0.00 N ATOM 411 CA TYR A 31 -1.828 0.371 -2.601 1.00 0.00 C ATOM 412 C TYR A 31 -2.571 0.203 -3.923 1.00 0.00 C ATOM 413 O TYR A 31 -3.105 -0.867 -4.218 1.00 0.00 O ATOM 414 CB TYR A 31 -0.456 -0.300 -2.686 1.00 0.00 C ATOM 415 CG TYR A 31 0.315 -0.267 -1.386 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.087 0.836 -1.041 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.273 -1.339 -0.503 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.794 0.870 0.145 1.00 0.00 C ATOM 419 CE2 TYR A 31 0.975 -1.313 0.686 1.00 0.00 C ATOM 420 CZ TYR A 31 1.734 -0.206 1.006 1.00 0.00 C ATOM 421 OH TYR A 31 2.437 -0.177 2.189 1.00 0.00 O ATOM 0 H TYR A 31 -3.188 -0.981 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.693 1.436 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.586 -1.337 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.132 0.192 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.135 1.681 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.319 -2.208 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.391 1.734 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.930 -2.154 1.362 1.00 0.00 H new ATOM 0 HH TYR A 31 2.516 0.749 2.500 1.00 0.00 H new ATOM 431 N HIS A 32 -2.601 1.269 -4.717 1.00 0.00 N ATOM 432 CA HIS A 32 -3.277 1.241 -6.009 1.00 0.00 C ATOM 433 C HIS A 32 -2.708 0.138 -6.897 1.00 0.00 C ATOM 434 O HIS A 32 -1.801 -0.591 -6.494 1.00 0.00 O ATOM 435 CB HIS A 32 -3.143 2.594 -6.708 1.00 0.00 C ATOM 436 CG HIS A 32 -4.225 3.565 -6.347 1.00 0.00 C ATOM 437 ND1 HIS A 32 -4.071 4.932 -6.441 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.483 3.359 -5.892 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.187 5.526 -6.057 1.00 0.00 C ATOM 440 NE2 HIS A 32 -6.060 4.593 -5.720 1.00 0.00 N ATOM 0 H HIS A 32 -2.165 2.162 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.333 1.034 -5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.176 3.030 -6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.151 2.439 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.946 2.403 -5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.357 6.592 -6.024 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.009 4.762 -5.386 1.00 0.00 H new ATOM 448 N LEU A 33 -3.247 0.020 -8.105 1.00 0.00 N ATOM 449 CA LEU A 33 -2.794 -0.995 -9.050 1.00 0.00 C ATOM 450 C LEU A 33 -1.679 -0.452 -9.938 1.00 0.00 C ATOM 451 O LEU A 33 -0.855 -1.211 -10.449 1.00 0.00 O ATOM 452 CB LEU A 33 -3.962 -1.474 -9.913 1.00 0.00 C ATOM 453 CG LEU A 33 -4.817 -2.595 -9.322 1.00 0.00 C ATOM 454 CD1 LEU A 33 -6.018 -2.876 -10.213 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.986 -3.856 -9.131 1.00 0.00 C ATOM 0 H LEU A 33 -3.999 0.615 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.402 -1.838 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.609 -0.621 -10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.566 -1.813 -10.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.181 -2.273 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.615 -3.677 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.626 -1.975 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.674 -3.178 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.611 -4.643 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.592 -4.182 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.159 -3.647 -8.453 1.00 0.00 H new ATOM 467 N ASP A 34 -1.658 0.864 -10.115 1.00 0.00 N ATOM 468 CA ASP A 34 -0.642 1.509 -10.939 1.00 0.00 C ATOM 469 C ASP A 34 0.447 2.131 -10.071 1.00 0.00 C ATOM 470 O ASP A 34 1.554 2.396 -10.540 1.00 0.00 O ATOM 471 CB ASP A 34 -1.279 2.580 -11.826 1.00 0.00 C ATOM 472 CG ASP A 34 -1.537 3.873 -11.078 1.00 0.00 C ATOM 473 OD1 ASP A 34 -2.468 3.901 -10.247 1.00 0.00 O ATOM 474 OD2 ASP A 34 -0.808 4.857 -11.324 1.00 0.00 O ATOM 0 H ASP A 34 -2.333 1.506 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.186 0.748 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.626 2.779 -12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.219 2.203 -12.228 1.00 0.00 H new ATOM 479 N CYS A 35 0.125 2.363 -8.803 1.00 0.00 N ATOM 480 CA CYS A 35 1.074 2.955 -7.868 1.00 0.00 C ATOM 481 C CYS A 35 1.744 1.880 -7.018 1.00 0.00 C ATOM 482 O CYS A 35 1.666 1.906 -5.789 1.00 0.00 O ATOM 483 CB CYS A 35 0.368 3.969 -6.965 1.00 0.00 C ATOM 484 SG CYS A 35 -0.707 5.137 -7.857 1.00 0.00 S ATOM 0 H CYS A 35 -0.787 2.150 -8.399 1.00 0.00 H new ATOM 0 HA CYS A 35 1.843 3.467 -8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.230 3.430 -6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.120 4.533 -6.413 1.00 0.00 H new ATOM 489 N LEU A 36 2.402 0.935 -7.680 1.00 0.00 N ATOM 490 CA LEU A 36 3.087 -0.150 -6.986 1.00 0.00 C ATOM 491 C LEU A 36 4.574 -0.162 -7.326 1.00 0.00 C ATOM 492 O LEU A 36 5.056 0.689 -8.074 1.00 0.00 O ATOM 493 CB LEU A 36 2.458 -1.495 -7.355 1.00 0.00 C ATOM 494 CG LEU A 36 1.151 -1.843 -6.642 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.620 -3.184 -7.124 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.355 -1.859 -5.133 1.00 0.00 C ATOM 0 H LEU A 36 2.476 0.898 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 36 2.980 0.013 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.276 -1.506 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.183 -2.282 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 36 0.414 -1.077 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.311 -3.415 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.435 -3.138 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.354 -3.962 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.415 -2.108 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.108 -2.604 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.689 -0.876 -4.801 1.00 0.00 H new ATOM 508 N ASP A 37 5.294 -1.131 -6.773 1.00 0.00 N ATOM 509 CA ASP A 37 6.726 -1.255 -7.020 1.00 0.00 C ATOM 510 C ASP A 37 7.163 -2.716 -6.960 1.00 0.00 C ATOM 511 O ASP A 37 7.423 -3.268 -5.891 1.00 0.00 O ATOM 512 CB ASP A 37 7.515 -0.432 -6.000 1.00 0.00 C ATOM 513 CG ASP A 37 8.578 0.431 -6.650 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.325 0.951 -7.758 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.663 0.587 -6.052 1.00 0.00 O ATOM 0 H ASP A 37 4.910 -1.842 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 37 6.931 -0.873 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.828 0.203 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.985 -1.103 -5.282 1.00 0.00 H new ATOM 520 N PRO A 38 7.246 -3.358 -8.135 1.00 0.00 N ATOM 521 CA PRO A 38 6.939 -2.710 -9.414 1.00 0.00 C ATOM 522 C PRO A 38 5.452 -2.412 -9.570 1.00 0.00 C ATOM 523 O PRO A 38 4.614 -2.887 -8.803 1.00 0.00 O ATOM 524 CB PRO A 38 7.389 -3.743 -10.451 1.00 0.00 C ATOM 525 CG PRO A 38 7.309 -5.051 -9.743 1.00 0.00 C ATOM 526 CD PRO A 38 7.645 -4.765 -8.305 1.00 0.00 C ATOM 0 HA PRO A 38 7.434 -1.744 -9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.744 -3.729 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.403 -3.541 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.312 -5.483 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.007 -5.770 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.100 -5.422 -7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.707 -4.909 -8.104 1.00 0.00 H new ATOM 534 N PRO A 39 5.113 -1.606 -10.588 1.00 0.00 N ATOM 535 CA PRO A 39 3.725 -1.227 -10.869 1.00 0.00 C ATOM 536 C PRO A 39 2.899 -2.398 -11.392 1.00 0.00 C ATOM 537 O PRO A 39 3.438 -3.342 -11.971 1.00 0.00 O ATOM 538 CB PRO A 39 3.863 -0.147 -11.945 1.00 0.00 C ATOM 539 CG PRO A 39 5.163 -0.440 -12.611 1.00 0.00 C ATOM 540 CD PRO A 39 6.058 -1.004 -11.542 1.00 0.00 C ATOM 0 HA PRO A 39 3.205 -0.890 -9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.037 -0.187 -12.655 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.859 0.851 -11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.032 -1.152 -13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.593 0.464 -13.043 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.748 -1.745 -11.946 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.662 -0.227 -11.073 1.00 0.00 H new ATOM 548 N LEU A 40 1.589 -2.330 -11.186 1.00 0.00 N ATOM 549 CA LEU A 40 0.687 -3.384 -11.637 1.00 0.00 C ATOM 550 C LEU A 40 -0.315 -2.846 -12.654 1.00 0.00 C ATOM 551 O LEU A 40 -0.309 -1.659 -12.978 1.00 0.00 O ATOM 552 CB LEU A 40 -0.054 -3.993 -10.446 1.00 0.00 C ATOM 553 CG LEU A 40 0.497 -5.318 -9.918 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.312 -5.794 -8.721 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.498 -6.371 -11.016 1.00 0.00 C ATOM 0 H LEU A 40 1.127 -1.556 -10.709 1.00 0.00 H new ATOM 0 HA LEU A 40 1.285 -4.158 -12.119 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.047 -3.269 -9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.096 -4.143 -10.730 1.00 0.00 H new ATOM 0 HG LEU A 40 1.526 -5.158 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.095 -6.738 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.260 -5.049 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.351 -5.937 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.893 -7.307 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.521 -6.528 -11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.122 -6.033 -11.843 1.00 0.00 H new ATOM 567 N LYS A 41 -1.176 -3.727 -13.151 1.00 0.00 N ATOM 568 CA LYS A 41 -2.187 -3.341 -14.128 1.00 0.00 C ATOM 569 C LYS A 41 -3.522 -4.015 -13.825 1.00 0.00 C ATOM 570 O LYS A 41 -4.470 -3.366 -13.382 1.00 0.00 O ATOM 571 CB LYS A 41 -1.728 -3.709 -15.541 1.00 0.00 C ATOM 572 CG LYS A 41 -2.771 -3.436 -16.610 1.00 0.00 C ATOM 573 CD LYS A 41 -2.138 -2.905 -17.885 1.00 0.00 C ATOM 574 CE LYS A 41 -1.680 -4.036 -18.793 1.00 0.00 C ATOM 575 NZ LYS A 41 -2.241 -3.905 -20.167 1.00 0.00 N ATOM 0 H LYS A 41 -1.194 -4.714 -12.893 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.322 -2.261 -14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.823 -3.149 -15.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.464 -4.766 -15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.317 -4.353 -16.829 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.497 -2.714 -16.235 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.856 -2.279 -18.415 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.287 -2.272 -17.634 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.591 -4.043 -18.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.985 -4.991 -18.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.906 -4.694 -20.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.280 -3.924 -20.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.929 -3.005 -20.585 1.00 0.00 H new ATOM 589 N THR A 42 -3.588 -5.321 -14.064 1.00 0.00 N ATOM 590 CA THR A 42 -4.806 -6.082 -13.816 1.00 0.00 C ATOM 591 C THR A 42 -4.789 -6.709 -12.427 1.00 0.00 C ATOM 592 O THR A 42 -3.905 -6.425 -11.618 1.00 0.00 O ATOM 593 CB THR A 42 -4.998 -7.193 -14.866 1.00 0.00 C ATOM 594 OG1 THR A 42 -4.040 -8.236 -14.656 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.850 -6.637 -16.274 1.00 0.00 C ATOM 0 H THR A 42 -2.812 -5.874 -14.429 1.00 0.00 H new ATOM 0 HA THR A 42 -5.637 -5.380 -13.885 1.00 0.00 H new ATOM 0 HB THR A 42 -6.004 -7.597 -14.756 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.170 -8.939 -15.326 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.990 -7.439 -16.999 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.600 -5.863 -16.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.855 -6.209 -16.394 1.00 0.00 H new ATOM 603 N ILE A 43 -5.770 -7.564 -12.156 1.00 0.00 N ATOM 604 CA ILE A 43 -5.866 -8.232 -10.864 1.00 0.00 C ATOM 605 C ILE A 43 -4.779 -9.290 -10.711 1.00 0.00 C ATOM 606 O ILE A 43 -4.756 -10.299 -11.416 1.00 0.00 O ATOM 607 CB ILE A 43 -7.243 -8.895 -10.674 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.358 -7.858 -10.821 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.320 -9.576 -9.316 1.00 0.00 C ATOM 610 CD1 ILE A 43 -9.747 -8.438 -10.675 1.00 0.00 C ATOM 0 H ILE A 43 -6.509 -7.810 -12.814 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.733 -7.465 -10.101 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.374 -9.653 -11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.218 -7.078 -10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.273 -7.381 -11.798 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.299 -10.040 -9.197 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.546 -10.340 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.170 -8.837 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.486 -7.645 -10.791 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.906 -9.198 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.851 -8.890 -9.688 1.00 0.00 H new ATOM 622 N PRO A 44 -3.856 -9.058 -9.766 1.00 0.00 N ATOM 623 CA PRO A 44 -2.750 -9.981 -9.496 1.00 0.00 C ATOM 624 C PRO A 44 -3.223 -11.280 -8.852 1.00 0.00 C ATOM 625 O PRO A 44 -3.269 -11.397 -7.628 1.00 0.00 O ATOM 626 CB PRO A 44 -1.862 -9.197 -8.527 1.00 0.00 C ATOM 627 CG PRO A 44 -2.785 -8.236 -7.860 1.00 0.00 C ATOM 628 CD PRO A 44 -3.821 -7.876 -8.889 1.00 0.00 C ATOM 0 HA PRO A 44 -2.241 -10.286 -10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.387 -9.858 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.063 -8.677 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.247 -8.685 -6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.248 -7.350 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.792 -7.686 -8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.546 -6.976 -9.439 1.00 0.00 H new ATOM 636 N LYS A 45 -3.573 -12.254 -9.685 1.00 0.00 N ATOM 637 CA LYS A 45 -4.041 -13.546 -9.199 1.00 0.00 C ATOM 638 C LYS A 45 -3.062 -14.134 -8.186 1.00 0.00 C ATOM 639 O LYS A 45 -1.918 -13.692 -8.086 1.00 0.00 O ATOM 640 CB LYS A 45 -4.227 -14.517 -10.367 1.00 0.00 C ATOM 641 CG LYS A 45 -5.624 -14.491 -10.962 1.00 0.00 C ATOM 642 CD LYS A 45 -6.529 -15.522 -10.308 1.00 0.00 C ATOM 643 CE LYS A 45 -7.995 -15.247 -10.607 1.00 0.00 C ATOM 644 NZ LYS A 45 -8.849 -16.436 -10.334 1.00 0.00 N ATOM 0 H LYS A 45 -3.541 -12.173 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.001 -13.394 -8.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.504 -14.277 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.005 -15.528 -10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.054 -13.497 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.568 -14.683 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.265 -16.518 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.369 -15.516 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.338 -14.407 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.104 -14.954 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.840 -16.208 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.539 -17.230 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.765 -16.701 -9.332 1.00 0.00 H new ATOM 658 N GLY A 46 -3.520 -15.133 -7.439 1.00 0.00 N ATOM 659 CA GLY A 46 -2.671 -15.765 -6.445 1.00 0.00 C ATOM 660 C GLY A 46 -2.408 -14.868 -5.252 1.00 0.00 C ATOM 661 O GLY A 46 -2.575 -13.652 -5.333 1.00 0.00 O ATOM 0 H GLY A 46 -4.463 -15.516 -7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.140 -16.688 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.722 -16.040 -6.905 1.00 0.00 H new ATOM 665 N MET A 47 -1.997 -15.470 -4.141 1.00 0.00 N ATOM 666 CA MET A 47 -1.711 -14.716 -2.925 1.00 0.00 C ATOM 667 C MET A 47 -0.750 -13.567 -3.212 1.00 0.00 C ATOM 668 O MET A 47 0.453 -13.776 -3.369 1.00 0.00 O ATOM 669 CB MET A 47 -1.119 -15.637 -1.856 1.00 0.00 C ATOM 670 CG MET A 47 -1.013 -14.988 -0.486 1.00 0.00 C ATOM 671 SD MET A 47 0.222 -15.778 0.563 1.00 0.00 S ATOM 672 CE MET A 47 0.266 -14.643 1.948 1.00 0.00 C ATOM 0 H MET A 47 -1.854 -16.476 -4.057 1.00 0.00 H new ATOM 0 HA MET A 47 -2.648 -14.299 -2.556 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.735 -16.533 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.127 -15.959 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.762 -13.934 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.984 -15.030 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.189 -14.789 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.223 -13.618 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.588 -14.831 2.599 1.00 0.00 H new ATOM 682 N TRP A 48 -1.288 -12.355 -3.278 1.00 0.00 N ATOM 683 CA TRP A 48 -0.477 -11.172 -3.546 1.00 0.00 C ATOM 684 C TRP A 48 0.000 -10.534 -2.246 1.00 0.00 C ATOM 685 O TRP A 48 -0.713 -10.539 -1.243 1.00 0.00 O ATOM 686 CB TRP A 48 -1.275 -10.156 -4.365 1.00 0.00 C ATOM 687 CG TRP A 48 -0.475 -8.952 -4.760 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.326 -8.825 -5.859 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.398 -7.707 -4.058 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.897 -7.575 -5.882 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.468 -6.870 -4.789 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.977 -7.216 -2.885 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.768 -5.572 -4.383 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.678 -5.928 -2.483 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.186 -5.118 -3.230 1.00 0.00 C ATOM 0 H TRP A 48 -2.282 -12.165 -3.150 1.00 0.00 H new ATOM 0 HA TRP A 48 0.397 -11.483 -4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.654 -10.642 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.141 -9.834 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.487 -9.593 -6.601 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.537 -7.229 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.646 -7.832 -2.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.436 -4.946 -4.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.119 -5.539 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.398 -4.115 -2.890 1.00 0.00 H new ATOM 706 N ILE A 49 1.210 -9.985 -2.272 1.00 0.00 N ATOM 707 CA ILE A 49 1.781 -9.341 -1.095 1.00 0.00 C ATOM 708 C ILE A 49 2.514 -8.058 -1.471 1.00 0.00 C ATOM 709 O ILE A 49 3.385 -8.060 -2.341 1.00 0.00 O ATOM 710 CB ILE A 49 2.756 -10.278 -0.358 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.049 -11.576 0.039 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.331 -9.586 0.869 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.957 -12.575 0.721 1.00 0.00 C ATOM 0 H ILE A 49 1.813 -9.973 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 49 0.949 -9.101 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 49 3.577 -10.524 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.219 -11.339 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.622 -12.035 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.018 -10.261 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.866 -8.687 0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.521 -9.313 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.389 -13.470 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.774 -12.841 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.364 -12.135 1.631 1.00 0.00 H new ATOM 725 N CYS A 50 2.156 -6.963 -0.809 1.00 0.00 N ATOM 726 CA CYS A 50 2.779 -5.671 -1.072 1.00 0.00 C ATOM 727 C CYS A 50 4.300 -5.777 -1.003 1.00 0.00 C ATOM 728 O CYS A 50 4.857 -6.639 -0.322 1.00 0.00 O ATOM 729 CB CYS A 50 2.283 -4.629 -0.068 1.00 0.00 C ATOM 730 SG CYS A 50 2.949 -4.841 1.614 1.00 0.00 S ATOM 0 H CYS A 50 1.437 -6.945 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 50 2.499 -5.358 -2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.549 -3.636 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.195 -4.671 -0.024 1.00 0.00 H new ATOM 735 N PRO A 51 4.989 -4.881 -1.725 1.00 0.00 N ATOM 736 CA PRO A 51 6.454 -4.852 -1.762 1.00 0.00 C ATOM 737 C PRO A 51 7.058 -4.397 -0.438 1.00 0.00 C ATOM 738 O PRO A 51 8.262 -4.527 -0.217 1.00 0.00 O ATOM 739 CB PRO A 51 6.761 -3.838 -2.866 1.00 0.00 C ATOM 740 CG PRO A 51 5.563 -2.953 -2.912 1.00 0.00 C ATOM 741 CD PRO A 51 4.390 -3.826 -2.560 1.00 0.00 C ATOM 0 HA PRO A 51 6.877 -5.840 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.664 -3.270 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.925 -4.333 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.660 -2.127 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.440 -2.514 -3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.624 -3.271 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.915 -4.239 -3.450 1.00 0.00 H new ATOM 749 N ARG A 52 6.215 -3.863 0.440 1.00 0.00 N ATOM 750 CA ARG A 52 6.666 -3.388 1.742 1.00 0.00 C ATOM 751 C ARG A 52 6.866 -4.554 2.707 1.00 0.00 C ATOM 752 O ARG A 52 7.635 -4.457 3.664 1.00 0.00 O ATOM 753 CB ARG A 52 5.658 -2.397 2.326 1.00 0.00 C ATOM 754 CG ARG A 52 6.240 -1.017 2.584 1.00 0.00 C ATOM 755 CD ARG A 52 7.081 -0.995 3.851 1.00 0.00 C ATOM 756 NE ARG A 52 6.448 -0.218 4.914 1.00 0.00 N ATOM 757 CZ ARG A 52 6.438 1.109 4.947 1.00 0.00 C ATOM 758 NH1 ARG A 52 7.022 1.805 3.981 1.00 0.00 N ATOM 759 NH2 ARG A 52 5.842 1.744 5.948 1.00 0.00 N ATOM 0 H ARG A 52 5.215 -3.749 0.273 1.00 0.00 H new ATOM 0 HA ARG A 52 7.622 -2.884 1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.815 -2.304 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.267 -2.798 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.852 -0.714 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.432 -0.290 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.244 -2.016 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.061 -0.574 3.628 1.00 0.00 H new ATOM 0 HE ARG A 52 5.989 -0.723 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.481 1.321 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.012 2.825 4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.391 1.212 6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.835 2.764 5.973 1.00 0.00 H new ATOM 773 N CYS A 53 6.168 -5.655 2.449 1.00 0.00 N ATOM 774 CA CYS A 53 6.267 -6.839 3.293 1.00 0.00 C ATOM 775 C CYS A 53 7.443 -7.714 2.868 1.00 0.00 C ATOM 776 O CYS A 53 8.318 -8.028 3.675 1.00 0.00 O ATOM 777 CB CYS A 53 4.968 -7.646 3.231 1.00 0.00 C ATOM 778 SG CYS A 53 3.671 -7.056 4.366 1.00 0.00 S ATOM 0 H CYS A 53 5.527 -5.751 1.661 1.00 0.00 H new ATOM 0 HA CYS A 53 6.434 -6.510 4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.584 -7.618 2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.189 -8.689 3.460 1.00 0.00 H new ATOM 783 N GLN A 54 7.455 -8.102 1.597 1.00 0.00 N ATOM 784 CA GLN A 54 8.523 -8.940 1.066 1.00 0.00 C ATOM 785 C GLN A 54 9.891 -8.341 1.376 1.00 0.00 C ATOM 786 O GLN A 54 10.869 -9.066 1.561 1.00 0.00 O ATOM 787 CB GLN A 54 8.360 -9.114 -0.445 1.00 0.00 C ATOM 788 CG GLN A 54 7.153 -9.951 -0.835 1.00 0.00 C ATOM 789 CD GLN A 54 7.512 -11.398 -1.115 1.00 0.00 C ATOM 790 OE1 GLN A 54 7.831 -12.158 -0.200 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.462 -11.785 -2.384 1.00 0.00 N ATOM 0 H GLN A 54 6.738 -7.850 0.917 1.00 0.00 H new ATOM 0 HA GLN A 54 8.457 -9.916 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.275 -8.131 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.260 -9.579 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.415 -9.912 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.686 -9.519 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.192 -11.121 -3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.693 -12.747 -2.633 1.00 0.00 H new ATOM 800 N ASP A 55 9.952 -7.016 1.431 1.00 0.00 N ATOM 801 CA ASP A 55 11.200 -6.319 1.720 1.00 0.00 C ATOM 802 C ASP A 55 11.009 -5.304 2.843 1.00 0.00 C ATOM 803 O ASP A 55 10.124 -4.452 2.777 1.00 0.00 O ATOM 804 CB ASP A 55 11.720 -5.617 0.464 1.00 0.00 C ATOM 805 CG ASP A 55 12.247 -6.593 -0.569 1.00 0.00 C ATOM 806 OD1 ASP A 55 12.785 -7.647 -0.170 1.00 0.00 O ATOM 807 OD2 ASP A 55 12.120 -6.304 -1.777 1.00 0.00 O ATOM 0 H ASP A 55 9.152 -6.402 1.279 1.00 0.00 H new ATOM 0 HA ASP A 55 11.933 -7.058 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.918 -5.025 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.513 -4.923 0.741 1.00 0.00 H new ATOM 812 N GLN A 56 11.845 -5.403 3.871 1.00 0.00 N ATOM 813 CA GLN A 56 11.766 -4.495 5.009 1.00 0.00 C ATOM 814 C GLN A 56 12.954 -4.691 5.946 1.00 0.00 C ATOM 815 O GLN A 56 13.564 -3.705 6.358 1.00 0.00 O ATOM 816 CB GLN A 56 10.458 -4.712 5.772 1.00 0.00 C ATOM 817 CG GLN A 56 9.896 -3.442 6.391 1.00 0.00 C ATOM 818 CD GLN A 56 8.690 -3.706 7.271 1.00 0.00 C ATOM 819 OE1 GLN A 56 7.581 -3.914 6.778 1.00 0.00 O ATOM 820 NE2 GLN A 56 8.901 -3.698 8.582 1.00 0.00 N ATOM 0 H GLN A 56 12.584 -6.102 3.939 1.00 0.00 H new ATOM 0 HA GLN A 56 11.791 -3.474 4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.717 -5.134 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.624 -5.447 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.672 -2.956 6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.617 -2.748 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.837 -3.521 8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.127 -3.869 9.224 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.192 5.830 -6.208 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.932 -6.081 3.108 1.00 0.00 ZN