USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.388 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.4) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 45:sc= 0.0584 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 32:sc= 1.4 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 27 SER OG : rot -19:sc= 0.471 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.728! USER MOD Single : A 31 GLN :FLIP amide:sc= -0.772 F(o=-1.5,f=-0.77) USER MOD Single : A 33 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.59) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0.612 K(o=0.61,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.0017) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 179:sc= 0.0225 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.274 -4.491 12.184 1.00 0.00 N ATOM 2 CA GLY A 1 11.264 -5.340 11.580 1.00 0.00 C ATOM 3 C GLY A 1 11.024 -6.609 12.373 1.00 0.00 C ATOM 4 O GLY A 1 11.392 -7.700 11.938 1.00 0.00 O ATOM 0 H1 GLY A 1 12.401 -3.637 11.605 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.971 -4.218 13.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.174 -5.009 12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.330 -4.785 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.571 -5.601 10.567 1.00 0.00 H new ATOM 8 N SER A 2 10.405 -6.467 13.541 1.00 0.00 N ATOM 9 CA SER A 2 10.122 -7.611 14.400 1.00 0.00 C ATOM 10 C SER A 2 8.679 -7.575 14.894 1.00 0.00 C ATOM 11 O SER A 2 7.986 -6.567 14.748 1.00 0.00 O ATOM 12 CB SER A 2 11.080 -7.631 15.592 1.00 0.00 C ATOM 13 OG SER A 2 12.429 -7.565 15.163 1.00 0.00 O ATOM 0 H SER A 2 10.090 -5.571 13.914 1.00 0.00 H new ATOM 0 HA SER A 2 10.265 -8.518 13.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.863 -6.790 16.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.924 -8.540 16.173 1.00 0.00 H new ATOM 0 HG SER A 2 13.021 -7.578 15.944 1.00 0.00 H new ATOM 19 N SER A 3 8.232 -8.682 15.479 1.00 0.00 N ATOM 20 CA SER A 3 6.870 -8.779 15.992 1.00 0.00 C ATOM 21 C SER A 3 6.574 -7.642 16.965 1.00 0.00 C ATOM 22 O SER A 3 7.448 -7.205 17.712 1.00 0.00 O ATOM 23 CB SER A 3 6.659 -10.127 16.684 1.00 0.00 C ATOM 24 OG SER A 3 7.553 -10.288 17.771 1.00 0.00 O ATOM 0 H SER A 3 8.793 -9.524 15.609 1.00 0.00 H new ATOM 0 HA SER A 3 6.183 -8.700 15.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.631 -10.199 17.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.805 -10.934 15.966 1.00 0.00 H new ATOM 0 HG SER A 3 7.397 -11.156 18.197 1.00 0.00 H new ATOM 30 N GLY A 4 5.332 -7.168 16.951 1.00 0.00 N ATOM 31 CA GLY A 4 4.940 -6.086 17.836 1.00 0.00 C ATOM 32 C GLY A 4 5.778 -4.840 17.633 1.00 0.00 C ATOM 33 O GLY A 4 6.656 -4.536 18.441 1.00 0.00 O ATOM 0 H GLY A 4 4.590 -7.514 16.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.890 -5.846 17.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.030 -6.416 18.871 1.00 0.00 H new ATOM 37 N SER A 5 5.509 -4.116 16.551 1.00 0.00 N ATOM 38 CA SER A 5 6.248 -2.898 16.242 1.00 0.00 C ATOM 39 C SER A 5 6.526 -2.095 17.509 1.00 0.00 C ATOM 40 O SER A 5 5.606 -1.741 18.247 1.00 0.00 O ATOM 41 CB SER A 5 5.468 -2.042 15.243 1.00 0.00 C ATOM 42 OG SER A 5 4.217 -1.646 15.778 1.00 0.00 O ATOM 0 H SER A 5 4.784 -4.352 15.873 1.00 0.00 H new ATOM 0 HA SER A 5 7.201 -3.184 15.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.052 -1.159 14.983 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.312 -2.604 14.322 1.00 0.00 H new ATOM 0 HG SER A 5 4.306 -1.496 16.742 1.00 0.00 H new ATOM 48 N SER A 6 7.801 -1.810 17.755 1.00 0.00 N ATOM 49 CA SER A 6 8.202 -1.052 18.934 1.00 0.00 C ATOM 50 C SER A 6 8.888 0.251 18.535 1.00 0.00 C ATOM 51 O SER A 6 9.928 0.241 17.878 1.00 0.00 O ATOM 52 CB SER A 6 9.138 -1.887 19.810 1.00 0.00 C ATOM 53 OG SER A 6 9.700 -1.103 20.847 1.00 0.00 O ATOM 0 H SER A 6 8.574 -2.093 17.153 1.00 0.00 H new ATOM 0 HA SER A 6 7.304 -0.810 19.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.588 -2.724 20.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.934 -2.310 19.197 1.00 0.00 H new ATOM 0 HG SER A 6 10.293 -1.660 21.393 1.00 0.00 H new ATOM 59 N GLY A 7 8.297 1.371 18.937 1.00 0.00 N ATOM 60 CA GLY A 7 8.864 2.667 18.613 1.00 0.00 C ATOM 61 C GLY A 7 8.533 3.108 17.201 1.00 0.00 C ATOM 62 O GLY A 7 9.428 3.394 16.406 1.00 0.00 O ATOM 0 H GLY A 7 7.435 1.405 19.482 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.492 3.410 19.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.947 2.627 18.733 1.00 0.00 H new ATOM 66 N SER A 8 7.242 3.162 16.886 1.00 0.00 N ATOM 67 CA SER A 8 6.795 3.566 15.559 1.00 0.00 C ATOM 68 C SER A 8 6.811 5.085 15.418 1.00 0.00 C ATOM 69 O SER A 8 6.075 5.790 16.108 1.00 0.00 O ATOM 70 CB SER A 8 5.387 3.032 15.287 1.00 0.00 C ATOM 71 OG SER A 8 4.838 3.613 14.117 1.00 0.00 O ATOM 0 H SER A 8 6.488 2.931 17.533 1.00 0.00 H new ATOM 0 HA SER A 8 7.484 3.144 14.827 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.421 1.948 15.177 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.743 3.246 16.140 1.00 0.00 H new ATOM 0 HG SER A 8 3.939 3.254 13.965 1.00 0.00 H new ATOM 77 N GLN A 9 7.657 5.581 14.521 1.00 0.00 N ATOM 78 CA GLN A 9 7.770 7.016 14.290 1.00 0.00 C ATOM 79 C GLN A 9 6.417 7.701 14.447 1.00 0.00 C ATOM 80 O GLN A 9 5.449 7.348 13.775 1.00 0.00 O ATOM 81 CB GLN A 9 8.333 7.287 12.894 1.00 0.00 C ATOM 82 CG GLN A 9 8.654 8.751 12.641 1.00 0.00 C ATOM 83 CD GLN A 9 9.732 9.281 13.565 1.00 0.00 C ATOM 84 OE1 GLN A 9 9.462 9.638 14.712 1.00 0.00 O ATOM 85 NE2 GLN A 9 10.963 9.335 13.070 1.00 0.00 N ATOM 0 H GLN A 9 8.274 5.011 13.943 1.00 0.00 H new ATOM 0 HA GLN A 9 8.453 7.425 15.035 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.238 6.696 12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.614 6.947 12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.974 8.875 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.749 9.344 12.768 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.142 9.029 12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.730 9.683 13.646 1.00 0.00 H new ATOM 94 N GLY A 10 6.356 8.684 15.340 1.00 0.00 N ATOM 95 CA GLY A 10 5.116 9.403 15.570 1.00 0.00 C ATOM 96 C GLY A 10 5.208 10.861 15.167 1.00 0.00 C ATOM 97 O GLY A 10 5.055 11.754 16.001 1.00 0.00 O ATOM 0 H GLY A 10 7.143 8.996 15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.313 8.924 15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.852 9.337 16.625 1.00 0.00 H new ATOM 101 N ASP A 11 5.461 11.105 13.886 1.00 0.00 N ATOM 102 CA ASP A 11 5.574 12.465 13.373 1.00 0.00 C ATOM 103 C ASP A 11 4.780 12.628 12.081 1.00 0.00 C ATOM 104 O ASP A 11 5.166 12.106 11.034 1.00 0.00 O ATOM 105 CB ASP A 11 7.042 12.822 13.133 1.00 0.00 C ATOM 106 CG ASP A 11 7.219 14.245 12.640 1.00 0.00 C ATOM 107 OD1 ASP A 11 6.401 15.109 13.018 1.00 0.00 O ATOM 108 OD2 ASP A 11 8.175 14.494 11.875 1.00 0.00 O ATOM 0 H ASP A 11 5.592 10.378 13.183 1.00 0.00 H new ATOM 0 HA ASP A 11 5.160 13.143 14.119 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.601 12.689 14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.466 12.132 12.403 1.00 0.00 H new ATOM 113 N CYS A 12 3.670 13.352 12.162 1.00 0.00 N ATOM 114 CA CYS A 12 2.820 13.582 10.999 1.00 0.00 C ATOM 115 C CYS A 12 3.633 14.127 9.830 1.00 0.00 C ATOM 116 O CYS A 12 3.767 15.339 9.666 1.00 0.00 O ATOM 117 CB CYS A 12 1.693 14.554 11.349 1.00 0.00 C ATOM 118 SG CYS A 12 0.298 14.513 10.199 1.00 0.00 S ATOM 0 H CYS A 12 3.337 13.790 13.021 1.00 0.00 H new ATOM 0 HA CYS A 12 2.387 12.627 10.702 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.330 14.327 12.351 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.097 15.566 11.378 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.604 15.368 10.580 1.00 0.00 H new ATOM 124 N SER A 13 4.177 13.223 9.022 1.00 0.00 N ATOM 125 CA SER A 13 4.983 13.613 7.870 1.00 0.00 C ATOM 126 C SER A 13 4.121 14.288 6.808 1.00 0.00 C ATOM 127 O SER A 13 2.897 14.341 6.928 1.00 0.00 O ATOM 128 CB SER A 13 5.684 12.390 7.274 1.00 0.00 C ATOM 129 OG SER A 13 6.631 11.853 8.181 1.00 0.00 O ATOM 0 H SER A 13 4.075 12.215 9.143 1.00 0.00 H new ATOM 0 HA SER A 13 5.736 14.325 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.945 11.630 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.182 12.669 6.346 1.00 0.00 H new ATOM 0 HG SER A 13 6.234 11.801 9.076 1.00 0.00 H new ATOM 135 N TYR A 14 4.769 14.801 5.768 1.00 0.00 N ATOM 136 CA TYR A 14 4.064 15.475 4.685 1.00 0.00 C ATOM 137 C TYR A 14 3.446 14.463 3.725 1.00 0.00 C ATOM 138 O TYR A 14 3.535 13.254 3.937 1.00 0.00 O ATOM 139 CB TYR A 14 5.016 16.400 3.925 1.00 0.00 C ATOM 140 CG TYR A 14 6.425 15.862 3.818 1.00 0.00 C ATOM 141 CD1 TYR A 14 6.709 14.755 3.028 1.00 0.00 C ATOM 142 CD2 TYR A 14 7.473 16.462 4.506 1.00 0.00 C ATOM 143 CE1 TYR A 14 7.995 14.259 2.928 1.00 0.00 C ATOM 144 CE2 TYR A 14 8.762 15.974 4.411 1.00 0.00 C ATOM 145 CZ TYR A 14 9.018 14.872 3.621 1.00 0.00 C ATOM 146 OH TYR A 14 10.300 14.383 3.523 1.00 0.00 O ATOM 0 H TYR A 14 5.782 14.763 5.652 1.00 0.00 H new ATOM 0 HA TYR A 14 3.263 16.070 5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.623 16.568 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.043 17.369 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.911 14.274 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.276 17.325 5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.198 13.396 2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.565 16.452 4.952 1.00 0.00 H new ATOM 0 HH TYR A 14 10.901 14.929 4.072 1.00 0.00 H new ATOM 156 N SER A 15 2.819 14.968 2.667 1.00 0.00 N ATOM 157 CA SER A 15 2.183 14.110 1.674 1.00 0.00 C ATOM 158 C SER A 15 3.228 13.404 0.816 1.00 0.00 C ATOM 159 O SER A 15 3.121 12.208 0.546 1.00 0.00 O ATOM 160 CB SER A 15 1.246 14.930 0.785 1.00 0.00 C ATOM 161 OG SER A 15 0.281 15.620 1.560 1.00 0.00 O ATOM 0 H SER A 15 2.738 15.967 2.476 1.00 0.00 H new ATOM 0 HA SER A 15 1.602 13.354 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.826 15.644 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.744 14.272 0.076 1.00 0.00 H new ATOM 0 HG SER A 15 -0.304 16.138 0.968 1.00 0.00 H new ATOM 167 N ARG A 16 4.240 14.154 0.391 1.00 0.00 N ATOM 168 CA ARG A 16 5.305 13.602 -0.437 1.00 0.00 C ATOM 169 C ARG A 16 5.602 12.156 -0.049 1.00 0.00 C ATOM 170 O ARG A 16 5.928 11.327 -0.899 1.00 0.00 O ATOM 171 CB ARG A 16 6.573 14.447 -0.306 1.00 0.00 C ATOM 172 CG ARG A 16 6.660 15.577 -1.319 1.00 0.00 C ATOM 173 CD ARG A 16 7.355 15.128 -2.595 1.00 0.00 C ATOM 174 NE ARG A 16 7.804 16.260 -3.401 1.00 0.00 N ATOM 175 CZ ARG A 16 8.758 17.102 -3.019 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.361 16.939 -1.850 1.00 0.00 N ATOM 177 NH2 ARG A 16 9.111 18.108 -3.808 1.00 0.00 N ATOM 0 H ARG A 16 4.344 15.145 0.607 1.00 0.00 H new ATOM 0 HA ARG A 16 4.970 13.620 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.617 14.867 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.443 13.801 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.657 15.933 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.202 16.416 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.210 14.502 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.673 14.513 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 16 7.361 16.413 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.093 16.166 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.093 17.587 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.650 18.236 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.844 18.754 -3.514 1.00 0.00 H new ATOM 191 N THR A 17 5.488 11.860 1.242 1.00 0.00 N ATOM 192 CA THR A 17 5.745 10.516 1.744 1.00 0.00 C ATOM 193 C THR A 17 4.562 9.995 2.551 1.00 0.00 C ATOM 194 O THR A 17 4.727 9.509 3.669 1.00 0.00 O ATOM 195 CB THR A 17 7.009 10.478 2.624 1.00 0.00 C ATOM 196 OG1 THR A 17 7.289 9.131 3.020 1.00 0.00 O ATOM 197 CG2 THR A 17 6.835 11.349 3.859 1.00 0.00 C ATOM 0 H THR A 17 5.219 12.534 1.959 1.00 0.00 H new ATOM 0 HA THR A 17 5.897 9.877 0.874 1.00 0.00 H new ATOM 0 HB THR A 17 7.844 10.866 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.998 8.516 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.740 11.306 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.650 12.379 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.990 10.986 4.444 1.00 0.00 H new ATOM 205 N ALA A 18 3.368 10.098 1.976 1.00 0.00 N ATOM 206 CA ALA A 18 2.157 9.634 2.641 1.00 0.00 C ATOM 207 C ALA A 18 2.016 8.119 2.531 1.00 0.00 C ATOM 208 O ALA A 18 1.798 7.431 3.529 1.00 0.00 O ATOM 209 CB ALA A 18 0.935 10.323 2.053 1.00 0.00 C ATOM 0 H ALA A 18 3.214 10.499 1.051 1.00 0.00 H new ATOM 0 HA ALA A 18 2.232 9.890 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.038 9.967 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.025 11.401 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.866 10.096 0.989 1.00 0.00 H new ATOM 215 N LEU A 19 2.142 7.605 1.312 1.00 0.00 N ATOM 216 CA LEU A 19 2.028 6.171 1.071 1.00 0.00 C ATOM 217 C LEU A 19 2.798 5.380 2.123 1.00 0.00 C ATOM 218 O LEU A 19 2.512 4.206 2.364 1.00 0.00 O ATOM 219 CB LEU A 19 2.548 5.826 -0.325 1.00 0.00 C ATOM 220 CG LEU A 19 2.116 6.763 -1.453 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.372 6.121 -2.808 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.647 7.133 -1.306 1.00 0.00 C ATOM 0 H LEU A 19 2.323 8.160 0.476 1.00 0.00 H new ATOM 0 HA LEU A 19 0.975 5.899 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.637 5.809 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.221 4.816 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 19 2.709 7.676 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.058 6.803 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.436 5.907 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.806 5.193 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.357 7.800 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.039 6.229 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.492 7.635 -0.351 1.00 0.00 H new ATOM 234 N TYR A 20 3.773 6.029 2.748 1.00 0.00 N ATOM 235 CA TYR A 20 4.585 5.386 3.775 1.00 0.00 C ATOM 236 C TYR A 20 3.945 5.541 5.151 1.00 0.00 C ATOM 237 O TYR A 20 4.055 4.659 6.003 1.00 0.00 O ATOM 238 CB TYR A 20 5.995 5.979 3.786 1.00 0.00 C ATOM 239 CG TYR A 20 6.675 5.948 2.436 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.311 6.838 1.433 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.682 5.030 2.164 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.929 6.813 0.197 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.306 4.999 0.932 1.00 0.00 C ATOM 244 CZ TYR A 20 7.926 5.892 -0.048 1.00 0.00 C ATOM 245 OH TYR A 20 8.546 5.865 -1.276 1.00 0.00 O ATOM 0 H TYR A 20 4.021 7.001 2.562 1.00 0.00 H new ATOM 0 HA TYR A 20 4.647 4.323 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.944 7.011 4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.605 5.431 4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.532 7.562 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.982 4.329 2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.633 7.511 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.087 4.279 0.737 1.00 0.00 H new ATOM 0 HH TYR A 20 9.225 5.159 -1.284 1.00 0.00 H new ATOM 255 N ASP A 21 3.276 6.670 5.362 1.00 0.00 N ATOM 256 CA ASP A 21 2.616 6.942 6.634 1.00 0.00 C ATOM 257 C ASP A 21 1.401 6.039 6.819 1.00 0.00 C ATOM 258 O ASP A 21 0.973 5.779 7.945 1.00 0.00 O ATOM 259 CB ASP A 21 2.193 8.410 6.709 1.00 0.00 C ATOM 260 CG ASP A 21 1.243 8.680 7.859 1.00 0.00 C ATOM 261 OD1 ASP A 21 1.470 8.132 8.958 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.271 9.438 7.660 1.00 0.00 O ATOM 0 H ASP A 21 3.177 7.411 4.669 1.00 0.00 H new ATOM 0 HA ASP A 21 3.325 6.735 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.079 9.035 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.715 8.696 5.772 1.00 0.00 H new ATOM 267 N LEU A 22 0.848 5.564 5.709 1.00 0.00 N ATOM 268 CA LEU A 22 -0.320 4.690 5.748 1.00 0.00 C ATOM 269 C LEU A 22 0.051 3.309 6.279 1.00 0.00 C ATOM 270 O LEU A 22 -0.744 2.661 6.961 1.00 0.00 O ATOM 271 CB LEU A 22 -0.935 4.565 4.353 1.00 0.00 C ATOM 272 CG LEU A 22 -1.798 5.740 3.892 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.944 6.787 3.193 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.910 5.256 2.973 1.00 0.00 C ATOM 0 H LEU A 22 1.189 5.769 4.770 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.053 5.133 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.128 4.428 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.543 3.661 4.326 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.253 6.199 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.575 7.616 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.184 7.155 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.461 6.341 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.514 6.105 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.475 4.772 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.539 4.543 3.507 1.00 0.00 H new ATOM 286 N LEU A 23 1.263 2.866 5.964 1.00 0.00 N ATOM 287 CA LEU A 23 1.741 1.562 6.411 1.00 0.00 C ATOM 288 C LEU A 23 2.512 1.685 7.721 1.00 0.00 C ATOM 289 O LEU A 23 2.255 0.953 8.676 1.00 0.00 O ATOM 290 CB LEU A 23 2.630 0.928 5.340 1.00 0.00 C ATOM 291 CG LEU A 23 1.914 0.079 4.289 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.974 0.939 3.458 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.923 -0.628 3.396 1.00 0.00 C ATOM 0 H LEU A 23 1.933 3.390 5.401 1.00 0.00 H new ATOM 0 HA LEU A 23 0.874 0.923 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.171 1.724 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.374 0.305 5.836 1.00 0.00 H new ATOM 0 HG LEU A 23 1.322 -0.678 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.473 0.318 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.230 1.398 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.545 1.719 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.395 -1.227 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.543 0.112 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.555 -1.276 4.003 1.00 0.00 H new ATOM 305 N GLY A 24 3.458 2.619 7.760 1.00 0.00 N ATOM 306 CA GLY A 24 4.251 2.822 8.958 1.00 0.00 C ATOM 307 C GLY A 24 5.710 2.462 8.757 1.00 0.00 C ATOM 308 O GLY A 24 6.397 2.072 9.701 1.00 0.00 O ATOM 0 H GLY A 24 3.689 3.238 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.177 3.865 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.840 2.220 9.768 1.00 0.00 H new ATOM 312 N VAL A 25 6.184 2.592 7.522 1.00 0.00 N ATOM 313 CA VAL A 25 7.571 2.276 7.199 1.00 0.00 C ATOM 314 C VAL A 25 8.309 3.507 6.684 1.00 0.00 C ATOM 315 O VAL A 25 7.720 4.412 6.092 1.00 0.00 O ATOM 316 CB VAL A 25 7.661 1.159 6.143 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.877 -0.065 6.592 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.161 1.658 4.795 1.00 0.00 C ATOM 0 H VAL A 25 5.629 2.914 6.729 1.00 0.00 H new ATOM 0 HA VAL A 25 8.040 1.933 8.121 1.00 0.00 H new ATOM 0 HB VAL A 25 8.706 0.871 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.952 -0.844 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.286 -0.434 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.830 0.205 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.232 0.855 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.122 1.975 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.770 2.501 4.470 1.00 0.00 H new ATOM 328 N PRO A 26 9.630 3.544 6.914 1.00 0.00 N ATOM 329 CA PRO A 26 10.478 4.659 6.481 1.00 0.00 C ATOM 330 C PRO A 26 10.641 4.708 4.965 1.00 0.00 C ATOM 331 O PRO A 26 10.408 3.717 4.274 1.00 0.00 O ATOM 332 CB PRO A 26 11.821 4.365 7.154 1.00 0.00 C ATOM 333 CG PRO A 26 11.827 2.889 7.358 1.00 0.00 C ATOM 334 CD PRO A 26 10.397 2.500 7.614 1.00 0.00 C ATOM 0 HA PRO A 26 10.052 5.625 6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.655 4.682 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.914 4.896 8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.220 2.375 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.463 2.614 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.174 1.507 7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.170 2.481 8.680 1.00 0.00 H new ATOM 342 N SER A 27 11.043 5.868 4.456 1.00 0.00 N ATOM 343 CA SER A 27 11.234 6.047 3.021 1.00 0.00 C ATOM 344 C SER A 27 12.393 5.194 2.517 1.00 0.00 C ATOM 345 O SER A 27 12.602 5.058 1.310 1.00 0.00 O ATOM 346 CB SER A 27 11.493 7.521 2.700 1.00 0.00 C ATOM 347 OG SER A 27 11.811 7.696 1.330 1.00 0.00 O ATOM 0 H SER A 27 11.243 6.697 5.015 1.00 0.00 H new ATOM 0 HA SER A 27 10.323 5.727 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.612 8.111 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.311 7.893 3.317 1.00 0.00 H new ATOM 0 HG SER A 27 12.101 6.841 0.950 1.00 0.00 H new ATOM 353 N THR A 28 13.146 4.619 3.449 1.00 0.00 N ATOM 354 CA THR A 28 14.286 3.779 3.101 1.00 0.00 C ATOM 355 C THR A 28 14.073 2.344 3.567 1.00 0.00 C ATOM 356 O THR A 28 15.029 1.585 3.725 1.00 0.00 O ATOM 357 CB THR A 28 15.590 4.319 3.717 1.00 0.00 C ATOM 358 OG1 THR A 28 15.524 4.248 5.146 1.00 0.00 O ATOM 359 CG2 THR A 28 15.837 5.757 3.287 1.00 0.00 C ATOM 0 H THR A 28 12.987 4.720 4.452 1.00 0.00 H new ATOM 0 HA THR A 28 14.372 3.796 2.015 1.00 0.00 H new ATOM 0 HB THR A 28 16.416 3.703 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.358 4.592 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.764 6.117 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.917 5.803 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.008 6.383 3.617 1.00 0.00 H new ATOM 367 N ALA A 29 12.814 1.977 3.785 1.00 0.00 N ATOM 368 CA ALA A 29 12.477 0.631 4.230 1.00 0.00 C ATOM 369 C ALA A 29 12.764 -0.396 3.140 1.00 0.00 C ATOM 370 O ALA A 29 13.187 -0.046 2.038 1.00 0.00 O ATOM 371 CB ALA A 29 11.015 0.564 4.649 1.00 0.00 C ATOM 0 H ALA A 29 12.011 2.594 3.660 1.00 0.00 H new ATOM 0 HA ALA A 29 13.102 0.393 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.777 -0.447 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.838 1.263 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.381 0.828 3.802 1.00 0.00 H new ATOM 377 N THR A 30 12.532 -1.667 3.455 1.00 0.00 N ATOM 378 CA THR A 30 12.768 -2.745 2.503 1.00 0.00 C ATOM 379 C THR A 30 11.492 -3.539 2.244 1.00 0.00 C ATOM 380 O THR A 30 10.478 -3.334 2.910 1.00 0.00 O ATOM 381 CB THR A 30 13.864 -3.705 3.002 1.00 0.00 C ATOM 382 OG1 THR A 30 13.766 -4.959 2.317 1.00 0.00 O ATOM 383 CG2 THR A 30 13.745 -3.930 4.501 1.00 0.00 C ATOM 0 H THR A 30 12.181 -1.974 4.362 1.00 0.00 H new ATOM 0 HA THR A 30 13.098 -2.280 1.574 1.00 0.00 H new ATOM 0 HB THR A 30 14.834 -3.253 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.467 -5.563 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.530 -4.611 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.849 -2.978 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.770 -4.362 4.728 1.00 0.00 H new ATOM 391 N GLN A 31 11.551 -4.446 1.274 1.00 0.00 N ATOM 392 CA GLN A 31 10.400 -5.270 0.929 1.00 0.00 C ATOM 393 C GLN A 31 9.753 -5.854 2.181 1.00 0.00 C ATOM 394 O GLN A 31 8.554 -5.692 2.405 1.00 0.00 O ATOM 395 CB GLN A 31 10.818 -6.398 -0.017 1.00 0.00 C ATOM 396 CG GLN A 31 10.902 -5.970 -1.473 1.00 0.00 C ATOM 397 CD GLN A 31 11.703 -4.697 -1.663 1.00 0.00 C ATOM 398 OE1 GLN A 31 11.051 -3.555 -1.479 1.00 0.00 O flip ATOM 399 NE2 GLN A 31 12.894 -4.739 -1.971 1.00 0.00 N flip ATOM 0 H GLN A 31 12.384 -4.628 0.714 1.00 0.00 H new ATOM 0 HA GLN A 31 9.669 -4.636 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.788 -6.783 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.106 -7.218 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.356 -6.771 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.895 -5.822 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.355 -5.639 -2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.420 -3.874 -2.095 1.00 0.00 H new ATOM 408 N ALA A 32 10.555 -6.535 2.993 1.00 0.00 N ATOM 409 CA ALA A 32 10.062 -7.141 4.223 1.00 0.00 C ATOM 410 C ALA A 32 9.201 -6.160 5.012 1.00 0.00 C ATOM 411 O ALA A 32 8.106 -6.501 5.456 1.00 0.00 O ATOM 412 CB ALA A 32 11.224 -7.630 5.074 1.00 0.00 C ATOM 0 H ALA A 32 11.550 -6.681 2.821 1.00 0.00 H new ATOM 0 HA ALA A 32 9.440 -7.994 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.840 -8.080 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.796 -8.372 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.870 -6.789 5.326 1.00 0.00 H new ATOM 418 N GLN A 33 9.706 -4.942 5.182 1.00 0.00 N ATOM 419 CA GLN A 33 8.983 -3.913 5.919 1.00 0.00 C ATOM 420 C GLN A 33 7.726 -3.486 5.168 1.00 0.00 C ATOM 421 O GLN A 33 6.609 -3.679 5.648 1.00 0.00 O ATOM 422 CB GLN A 33 9.884 -2.700 6.160 1.00 0.00 C ATOM 423 CG GLN A 33 11.127 -3.018 6.975 1.00 0.00 C ATOM 424 CD GLN A 33 11.752 -1.783 7.592 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.947 -1.533 7.435 1.00 0.00 O ATOM 426 NE2 GLN A 33 10.945 -1.001 8.300 1.00 0.00 N ATOM 0 H GLN A 33 10.612 -4.644 4.820 1.00 0.00 H new ATOM 0 HA GLN A 33 8.685 -4.332 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.186 -2.286 5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.311 -1.928 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.868 -3.723 7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.860 -3.511 6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.960 -1.246 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.310 -0.156 8.739 1.00 0.00 H new ATOM 435 N ILE A 34 7.917 -2.906 3.988 1.00 0.00 N ATOM 436 CA ILE A 34 6.798 -2.453 3.170 1.00 0.00 C ATOM 437 C ILE A 34 5.679 -3.488 3.148 1.00 0.00 C ATOM 438 O ILE A 34 4.517 -3.157 2.908 1.00 0.00 O ATOM 439 CB ILE A 34 7.240 -2.160 1.724 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.172 -0.947 1.688 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.027 -1.929 0.836 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.722 -0.649 0.311 1.00 0.00 C ATOM 0 H ILE A 34 8.835 -2.739 3.577 1.00 0.00 H new ATOM 0 HA ILE A 34 6.429 -1.532 3.622 1.00 0.00 H new ATOM 0 HB ILE A 34 7.785 -3.024 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.632 -0.073 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.002 -1.116 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.356 -1.723 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.397 -2.819 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.457 -1.079 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.374 0.223 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.290 -1.507 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.898 -0.448 -0.374 1.00 0.00 H new ATOM 454 N LYS A 35 6.035 -4.742 3.402 1.00 0.00 N ATOM 455 CA LYS A 35 5.061 -5.827 3.415 1.00 0.00 C ATOM 456 C LYS A 35 4.472 -6.013 4.810 1.00 0.00 C ATOM 457 O LYS A 35 3.284 -5.778 5.028 1.00 0.00 O ATOM 458 CB LYS A 35 5.713 -7.131 2.947 1.00 0.00 C ATOM 459 CG LYS A 35 4.739 -8.290 2.832 1.00 0.00 C ATOM 460 CD LYS A 35 5.460 -9.598 2.550 1.00 0.00 C ATOM 461 CE LYS A 35 4.497 -10.672 2.067 1.00 0.00 C ATOM 462 NZ LYS A 35 5.216 -11.844 1.494 1.00 0.00 N ATOM 0 H LYS A 35 6.992 -5.033 3.602 1.00 0.00 H new ATOM 0 HA LYS A 35 4.254 -5.565 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.183 -6.965 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.506 -7.402 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.168 -8.380 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.024 -8.088 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.232 -9.435 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.964 -9.939 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.872 -11.000 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.831 -10.251 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.525 -12.554 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.793 -11.536 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.833 -12.262 2.220 1.00 0.00 H new ATOM 476 N ALA A 36 5.311 -6.435 5.750 1.00 0.00 N ATOM 477 CA ALA A 36 4.874 -6.649 7.124 1.00 0.00 C ATOM 478 C ALA A 36 3.908 -5.556 7.569 1.00 0.00 C ATOM 479 O ALA A 36 2.892 -5.834 8.204 1.00 0.00 O ATOM 480 CB ALA A 36 6.074 -6.706 8.057 1.00 0.00 C ATOM 0 H ALA A 36 6.297 -6.635 5.585 1.00 0.00 H new ATOM 0 HA ALA A 36 4.348 -7.603 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.732 -6.866 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.727 -7.526 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.623 -5.766 8.001 1.00 0.00 H new ATOM 486 N ALA A 37 4.233 -4.312 7.231 1.00 0.00 N ATOM 487 CA ALA A 37 3.393 -3.178 7.595 1.00 0.00 C ATOM 488 C ALA A 37 2.005 -3.301 6.975 1.00 0.00 C ATOM 489 O ALA A 37 0.993 -3.162 7.662 1.00 0.00 O ATOM 490 CB ALA A 37 4.051 -1.875 7.166 1.00 0.00 C ATOM 0 H ALA A 37 5.072 -4.065 6.706 1.00 0.00 H new ATOM 0 HA ALA A 37 3.279 -3.175 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.413 -1.036 7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.017 -1.775 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.195 -1.879 6.086 1.00 0.00 H new ATOM 496 N TYR A 38 1.965 -3.562 5.673 1.00 0.00 N ATOM 497 CA TYR A 38 0.701 -3.701 4.960 1.00 0.00 C ATOM 498 C TYR A 38 -0.212 -4.704 5.659 1.00 0.00 C ATOM 499 O TYR A 38 -1.435 -4.562 5.647 1.00 0.00 O ATOM 500 CB TYR A 38 0.951 -4.142 3.517 1.00 0.00 C ATOM 501 CG TYR A 38 -0.290 -4.642 2.813 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.111 -3.771 2.107 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.643 -5.985 2.854 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.246 -4.223 1.462 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.776 -6.446 2.212 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.574 -5.562 1.517 1.00 0.00 C ATOM 507 OH TYR A 38 -3.704 -6.017 0.877 1.00 0.00 O ATOM 0 H TYR A 38 2.793 -3.682 5.090 1.00 0.00 H new ATOM 0 HA TYR A 38 0.207 -2.729 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.364 -3.304 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.704 -4.930 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.857 -2.722 2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.021 -6.681 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.873 -3.532 0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.035 -7.494 2.254 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.790 -6.984 1.013 1.00 0.00 H new ATOM 517 N TYR A 39 0.392 -5.718 6.269 1.00 0.00 N ATOM 518 CA TYR A 39 -0.365 -6.747 6.973 1.00 0.00 C ATOM 519 C TYR A 39 -1.070 -6.165 8.194 1.00 0.00 C ATOM 520 O TYR A 39 -2.297 -6.202 8.292 1.00 0.00 O ATOM 521 CB TYR A 39 0.561 -7.887 7.400 1.00 0.00 C ATOM 522 CG TYR A 39 0.695 -8.979 6.362 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.424 -9.503 5.728 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.942 -9.486 6.016 1.00 0.00 C ATOM 525 CE1 TYR A 39 -0.306 -10.501 4.780 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.069 -10.482 5.068 1.00 0.00 C ATOM 527 CZ TYR A 39 0.943 -10.987 4.453 1.00 0.00 C ATOM 528 OH TYR A 39 1.066 -11.980 3.509 1.00 0.00 O ATOM 0 H TYR A 39 1.403 -5.850 6.290 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.121 -7.137 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.549 -7.480 7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.185 -8.322 8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.403 -9.124 5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.826 -9.094 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.187 -10.899 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.046 -10.864 4.810 1.00 0.00 H new ATOM 0 HH TYR A 39 2.012 -12.208 3.395 1.00 0.00 H new ATOM 538 N ARG A 40 -0.286 -5.626 9.122 1.00 0.00 N ATOM 539 CA ARG A 40 -0.834 -5.036 10.337 1.00 0.00 C ATOM 540 C ARG A 40 -2.176 -4.367 10.059 1.00 0.00 C ATOM 541 O ARG A 40 -3.147 -4.577 10.786 1.00 0.00 O ATOM 542 CB ARG A 40 0.146 -4.016 10.920 1.00 0.00 C ATOM 543 CG ARG A 40 1.132 -4.615 11.910 1.00 0.00 C ATOM 544 CD ARG A 40 1.941 -5.737 11.279 1.00 0.00 C ATOM 545 NE ARG A 40 3.128 -6.064 12.065 1.00 0.00 N ATOM 546 CZ ARG A 40 4.162 -5.243 12.212 1.00 0.00 C ATOM 547 NH1 ARG A 40 4.154 -4.051 11.630 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.205 -5.612 12.944 1.00 0.00 N ATOM 0 H ARG A 40 0.731 -5.586 9.055 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.990 -5.835 11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.700 -3.550 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.418 -3.225 11.415 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.805 -3.837 12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.593 -4.997 12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.315 -6.624 11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.241 -5.446 10.273 1.00 0.00 H new ATOM 0 HE ARG A 40 3.165 -6.973 12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.353 -3.763 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.949 -3.422 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.214 -6.527 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.998 -4.981 13.056 1.00 0.00 H new ATOM 562 N GLN A 41 -2.223 -3.561 9.003 1.00 0.00 N ATOM 563 CA GLN A 41 -3.446 -2.861 8.631 1.00 0.00 C ATOM 564 C GLN A 41 -4.600 -3.841 8.444 1.00 0.00 C ATOM 565 O GLN A 41 -5.696 -3.632 8.965 1.00 0.00 O ATOM 566 CB GLN A 41 -3.229 -2.060 7.346 1.00 0.00 C ATOM 567 CG GLN A 41 -1.983 -1.190 7.374 1.00 0.00 C ATOM 568 CD GLN A 41 -1.694 -0.630 8.753 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.540 0.027 9.359 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.492 -0.888 9.257 1.00 0.00 N ATOM 0 H GLN A 41 -1.428 -3.377 8.390 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.703 -2.176 9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.161 -2.750 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.099 -1.428 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.128 -1.776 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.103 -0.367 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.179 -1.437 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.240 -0.537 10.181 1.00 0.00 H new ATOM 579 N CYS A 42 -4.346 -4.910 7.697 1.00 0.00 N ATOM 580 CA CYS A 42 -5.363 -5.923 7.441 1.00 0.00 C ATOM 581 C CYS A 42 -6.074 -6.319 8.731 1.00 0.00 C ATOM 582 O CYS A 42 -7.295 -6.210 8.839 1.00 0.00 O ATOM 583 CB CYS A 42 -4.733 -7.156 6.792 1.00 0.00 C ATOM 584 SG CYS A 42 -4.204 -6.901 5.082 1.00 0.00 S ATOM 0 H CYS A 42 -3.444 -5.097 7.258 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.099 -5.498 6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.872 -7.466 7.385 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.451 -7.975 6.821 1.00 0.00 H new ATOM 0 HG CYS A 42 -3.682 -7.999 4.621 1.00 0.00 H new ATOM 590 N PHE A 43 -5.300 -6.782 9.708 1.00 0.00 N ATOM 591 CA PHE A 43 -5.856 -7.197 10.991 1.00 0.00 C ATOM 592 C PHE A 43 -6.448 -6.006 11.738 1.00 0.00 C ATOM 593 O PHE A 43 -7.605 -6.037 12.162 1.00 0.00 O ATOM 594 CB PHE A 43 -4.776 -7.865 11.846 1.00 0.00 C ATOM 595 CG PHE A 43 -5.271 -8.318 13.189 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.391 -7.420 14.237 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.615 -9.643 13.405 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.846 -7.833 15.475 1.00 0.00 C ATOM 599 CE2 PHE A 43 -6.071 -10.062 14.640 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.186 -9.156 15.677 1.00 0.00 C ATOM 0 H PHE A 43 -4.287 -6.879 9.636 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.653 -7.915 10.799 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.376 -8.723 11.306 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.952 -7.166 11.988 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.126 -6.384 14.085 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.526 -10.356 12.599 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.935 -7.122 16.283 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.337 -11.097 14.795 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.541 -9.482 16.643 1.00 0.00 H new ATOM 610 N LEU A 44 -5.648 -4.958 11.898 1.00 0.00 N ATOM 611 CA LEU A 44 -6.091 -3.756 12.595 1.00 0.00 C ATOM 612 C LEU A 44 -7.456 -3.303 12.085 1.00 0.00 C ATOM 613 O LEU A 44 -8.230 -2.687 12.818 1.00 0.00 O ATOM 614 CB LEU A 44 -5.069 -2.632 12.416 1.00 0.00 C ATOM 615 CG LEU A 44 -3.804 -2.733 13.270 1.00 0.00 C ATOM 616 CD1 LEU A 44 -2.625 -2.093 12.555 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.024 -2.082 14.628 1.00 0.00 C ATOM 0 H LEU A 44 -4.689 -4.916 11.554 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.179 -3.993 13.655 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.774 -2.600 11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.559 -1.684 12.638 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.578 -3.788 13.427 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.734 -2.174 13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.453 -2.604 11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.841 -1.041 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.114 -2.163 15.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.275 -1.030 14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.841 -2.586 15.145 1.00 0.00 H new ATOM 629 N TYR A 45 -7.744 -3.614 10.826 1.00 0.00 N ATOM 630 CA TYR A 45 -9.015 -3.239 10.219 1.00 0.00 C ATOM 631 C TYR A 45 -9.673 -4.440 9.547 1.00 0.00 C ATOM 632 O TYR A 45 -9.632 -4.583 8.324 1.00 0.00 O ATOM 633 CB TYR A 45 -8.805 -2.121 9.196 1.00 0.00 C ATOM 634 CG TYR A 45 -8.410 -0.800 9.816 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.092 -0.546 10.177 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.354 0.195 10.040 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.727 0.659 10.745 1.00 0.00 C ATOM 638 CE2 TYR A 45 -8.997 1.404 10.606 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.682 1.631 10.957 1.00 0.00 C ATOM 640 OH TYR A 45 -7.322 2.834 11.521 1.00 0.00 O ATOM 0 H TYR A 45 -7.115 -4.125 10.207 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.674 -2.881 11.010 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.033 -2.427 8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.724 -1.985 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.341 -1.304 10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.384 0.020 9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.699 0.839 11.022 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.743 2.167 10.773 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.113 3.408 11.600 1.00 0.00 H new ATOM 650 N HIS A 46 -10.282 -5.302 10.356 1.00 0.00 N ATOM 651 CA HIS A 46 -10.951 -6.492 9.841 1.00 0.00 C ATOM 652 C HIS A 46 -12.304 -6.134 9.235 1.00 0.00 C ATOM 653 O HIS A 46 -12.967 -5.184 9.651 1.00 0.00 O ATOM 654 CB HIS A 46 -11.134 -7.522 10.956 1.00 0.00 C ATOM 655 CG HIS A 46 -9.988 -8.477 11.083 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.640 -9.373 10.094 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.106 -8.673 12.092 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.596 -10.079 10.489 1.00 0.00 C ATOM 659 NE2 HIS A 46 -8.252 -9.673 11.698 1.00 0.00 N ATOM 0 H HIS A 46 -10.326 -5.199 11.370 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.325 -6.922 9.059 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.268 -7.000 11.903 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.048 -8.087 10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.079 -8.141 13.032 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.107 -10.856 9.920 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.478 -10.043 12.249 1.00 0.00 H new ATOM 667 N PRO A 47 -12.726 -6.913 8.227 1.00 0.00 N ATOM 668 CA PRO A 47 -14.004 -6.697 7.542 1.00 0.00 C ATOM 669 C PRO A 47 -15.200 -7.028 8.428 1.00 0.00 C ATOM 670 O PRO A 47 -16.306 -6.538 8.202 1.00 0.00 O ATOM 671 CB PRO A 47 -13.936 -7.660 6.354 1.00 0.00 C ATOM 672 CG PRO A 47 -12.998 -8.732 6.788 1.00 0.00 C ATOM 673 CD PRO A 47 -11.988 -8.063 7.679 1.00 0.00 C ATOM 0 HA PRO A 47 -14.142 -5.654 7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.919 -8.066 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.575 -7.157 5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.527 -9.521 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.514 -9.198 5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.642 -8.731 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.107 -7.746 7.121 1.00 0.00 H new ATOM 681 N ASP A 48 -14.970 -7.862 9.436 1.00 0.00 N ATOM 682 CA ASP A 48 -16.029 -8.258 10.358 1.00 0.00 C ATOM 683 C ASP A 48 -16.296 -7.159 11.382 1.00 0.00 C ATOM 684 O ASP A 48 -17.417 -6.664 11.498 1.00 0.00 O ATOM 685 CB ASP A 48 -15.654 -9.557 11.071 1.00 0.00 C ATOM 686 CG ASP A 48 -16.818 -10.154 11.837 1.00 0.00 C ATOM 687 OD1 ASP A 48 -17.975 -9.956 11.408 1.00 0.00 O ATOM 688 OD2 ASP A 48 -16.573 -10.820 12.864 1.00 0.00 O ATOM 0 H ASP A 48 -14.060 -8.277 9.636 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.939 -8.420 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.296 -10.280 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.830 -9.366 11.759 1.00 0.00 H new ATOM 693 N ARG A 49 -15.259 -6.784 12.124 1.00 0.00 N ATOM 694 CA ARG A 49 -15.382 -5.746 13.141 1.00 0.00 C ATOM 695 C ARG A 49 -16.178 -4.557 12.610 1.00 0.00 C ATOM 696 O ARG A 49 -17.151 -4.125 13.225 1.00 0.00 O ATOM 697 CB ARG A 49 -13.998 -5.284 13.599 1.00 0.00 C ATOM 698 CG ARG A 49 -13.414 -6.128 14.720 1.00 0.00 C ATOM 699 CD ARG A 49 -13.776 -5.566 16.086 1.00 0.00 C ATOM 700 NE ARG A 49 -15.027 -6.124 16.593 1.00 0.00 N ATOM 701 CZ ARG A 49 -16.223 -5.614 16.320 1.00 0.00 C ATOM 702 NH1 ARG A 49 -16.329 -4.541 15.548 1.00 0.00 N ATOM 703 NH2 ARG A 49 -17.315 -6.178 16.819 1.00 0.00 N ATOM 0 H ARG A 49 -14.324 -7.183 12.040 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.916 -6.168 13.992 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.317 -5.305 12.748 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.062 -4.248 13.931 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.782 -7.151 14.637 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.330 -6.170 14.618 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.972 -5.779 16.790 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.863 -4.481 16.020 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.980 -6.950 17.189 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.491 -4.105 15.162 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.248 -4.151 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.237 -7.004 17.413 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.233 -5.786 16.609 1.00 0.00 H new ATOM 717 N ASN A 50 -15.755 -4.034 11.463 1.00 0.00 N ATOM 718 CA ASN A 50 -16.427 -2.894 10.850 1.00 0.00 C ATOM 719 C ASN A 50 -17.520 -3.358 9.893 1.00 0.00 C ATOM 720 O ASN A 50 -17.240 -3.977 8.866 1.00 0.00 O ATOM 721 CB ASN A 50 -15.416 -2.021 10.103 1.00 0.00 C ATOM 722 CG ASN A 50 -14.302 -1.526 11.005 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.300 -0.372 11.432 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.347 -2.401 11.299 1.00 0.00 N ATOM 0 H ASN A 50 -14.951 -4.381 10.940 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.889 -2.306 11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.987 -2.591 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.932 -1.167 9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.571 -2.126 11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.389 -3.348 10.922 1.00 0.00 H new ATOM 731 N SER A 51 -18.768 -3.054 10.236 1.00 0.00 N ATOM 732 CA SER A 51 -19.904 -3.442 9.409 1.00 0.00 C ATOM 733 C SER A 51 -20.193 -2.382 8.350 1.00 0.00 C ATOM 734 O SER A 51 -20.996 -1.475 8.566 1.00 0.00 O ATOM 735 CB SER A 51 -21.144 -3.661 10.278 1.00 0.00 C ATOM 736 OG SER A 51 -21.064 -4.890 10.980 1.00 0.00 O ATOM 0 H SER A 51 -19.018 -2.540 11.081 1.00 0.00 H new ATOM 0 HA SER A 51 -19.652 -4.375 8.905 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.245 -2.839 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 51 -22.036 -3.653 9.652 1.00 0.00 H new ATOM 0 HG SER A 51 -21.867 -5.006 11.529 1.00 0.00 H new ATOM 742 N GLY A 52 -19.532 -2.504 7.203 1.00 0.00 N ATOM 743 CA GLY A 52 -19.730 -1.551 6.127 1.00 0.00 C ATOM 744 C GLY A 52 -19.678 -0.114 6.608 1.00 0.00 C ATOM 745 O GLY A 52 -20.669 0.611 6.525 1.00 0.00 O ATOM 0 H GLY A 52 -18.863 -3.246 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.965 -1.704 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -20.694 -1.738 5.653 1.00 0.00 H new ATOM 749 N SER A 53 -18.521 0.297 7.115 1.00 0.00 N ATOM 750 CA SER A 53 -18.346 1.655 7.618 1.00 0.00 C ATOM 751 C SER A 53 -17.614 2.522 6.597 1.00 0.00 C ATOM 752 O SER A 53 -16.802 2.028 5.816 1.00 0.00 O ATOM 753 CB SER A 53 -17.572 1.638 8.937 1.00 0.00 C ATOM 754 OG SER A 53 -17.892 2.768 9.731 1.00 0.00 O ATOM 0 H SER A 53 -17.690 -0.290 7.189 1.00 0.00 H new ATOM 0 HA SER A 53 -19.334 2.082 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 53 -17.804 0.726 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.501 1.624 8.734 1.00 0.00 H new ATOM 0 HG SER A 53 -17.386 2.733 10.569 1.00 0.00 H new ATOM 760 N ALA A 54 -17.909 3.817 6.611 1.00 0.00 N ATOM 761 CA ALA A 54 -17.279 4.754 5.689 1.00 0.00 C ATOM 762 C ALA A 54 -15.787 4.886 5.975 1.00 0.00 C ATOM 763 O ALA A 54 -14.956 4.678 5.092 1.00 0.00 O ATOM 764 CB ALA A 54 -17.956 6.114 5.773 1.00 0.00 C ATOM 0 H ALA A 54 -18.580 4.242 7.251 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.396 4.364 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.475 6.803 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.009 6.013 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.869 6.502 6.788 1.00 0.00 H new ATOM 770 N GLU A 55 -15.455 5.233 7.215 1.00 0.00 N ATOM 771 CA GLU A 55 -14.062 5.394 7.616 1.00 0.00 C ATOM 772 C GLU A 55 -13.227 4.196 7.172 1.00 0.00 C ATOM 773 O GLU A 55 -12.263 4.343 6.422 1.00 0.00 O ATOM 774 CB GLU A 55 -13.962 5.566 9.133 1.00 0.00 C ATOM 775 CG GLU A 55 -14.483 6.904 9.629 1.00 0.00 C ATOM 776 CD GLU A 55 -15.973 7.071 9.401 1.00 0.00 C ATOM 777 OE1 GLU A 55 -16.737 6.158 9.778 1.00 0.00 O ATOM 778 OE2 GLU A 55 -16.374 8.115 8.844 1.00 0.00 O ATOM 0 H GLU A 55 -16.131 5.408 7.958 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.671 6.288 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.520 4.766 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.920 5.457 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.269 7.001 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.949 7.708 9.122 1.00 0.00 H new ATOM 785 N ALA A 56 -13.604 3.012 7.643 1.00 0.00 N ATOM 786 CA ALA A 56 -12.892 1.789 7.295 1.00 0.00 C ATOM 787 C ALA A 56 -12.865 1.580 5.785 1.00 0.00 C ATOM 788 O ALA A 56 -11.892 1.064 5.237 1.00 0.00 O ATOM 789 CB ALA A 56 -13.529 0.592 7.985 1.00 0.00 C ATOM 0 H ALA A 56 -14.399 2.874 8.267 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.863 1.887 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.987 -0.314 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.489 0.731 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.568 0.500 7.669 1.00 0.00 H new ATOM 795 N ALA A 57 -13.941 1.984 5.118 1.00 0.00 N ATOM 796 CA ALA A 57 -14.041 1.842 3.670 1.00 0.00 C ATOM 797 C ALA A 57 -12.939 2.626 2.965 1.00 0.00 C ATOM 798 O ALA A 57 -11.974 2.047 2.468 1.00 0.00 O ATOM 799 CB ALA A 57 -15.409 2.300 3.188 1.00 0.00 C ATOM 0 H ALA A 57 -14.756 2.412 5.557 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.916 0.788 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.469 2.188 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.183 1.694 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.557 3.347 3.454 1.00 0.00 H new ATOM 805 N GLU A 58 -13.091 3.946 2.925 1.00 0.00 N ATOM 806 CA GLU A 58 -12.109 4.809 2.279 1.00 0.00 C ATOM 807 C GLU A 58 -10.695 4.458 2.732 1.00 0.00 C ATOM 808 O GLU A 58 -9.756 4.468 1.936 1.00 0.00 O ATOM 809 CB GLU A 58 -12.406 6.278 2.587 1.00 0.00 C ATOM 810 CG GLU A 58 -12.344 6.613 4.068 1.00 0.00 C ATOM 811 CD GLU A 58 -12.711 8.056 4.355 1.00 0.00 C ATOM 812 OE1 GLU A 58 -11.844 8.936 4.178 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.868 8.304 4.756 1.00 0.00 O ATOM 0 H GLU A 58 -13.885 4.441 3.332 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.177 4.651 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.693 6.904 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.397 6.527 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.019 5.955 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.338 6.417 4.439 1.00 0.00 H new ATOM 820 N ARG A 59 -10.551 4.148 4.016 1.00 0.00 N ATOM 821 CA ARG A 59 -9.253 3.796 4.577 1.00 0.00 C ATOM 822 C ARG A 59 -8.697 2.538 3.914 1.00 0.00 C ATOM 823 O ARG A 59 -7.692 2.590 3.206 1.00 0.00 O ATOM 824 CB ARG A 59 -9.366 3.581 6.087 1.00 0.00 C ATOM 825 CG ARG A 59 -8.027 3.377 6.776 1.00 0.00 C ATOM 826 CD ARG A 59 -7.394 4.703 7.168 1.00 0.00 C ATOM 827 NE ARG A 59 -6.069 4.524 7.755 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.292 5.532 8.137 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.707 6.784 7.995 1.00 0.00 N ATOM 830 NH2 ARG A 59 -4.099 5.289 8.664 1.00 0.00 N ATOM 0 H ARG A 59 -11.318 4.134 4.688 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.567 4.621 4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.866 4.442 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.998 2.713 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.164 2.761 7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.354 2.834 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.318 5.342 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.040 5.217 7.880 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.721 3.573 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.624 6.975 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.109 7.556 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.777 4.328 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.503 6.064 8.957 1.00 0.00 H new ATOM 844 N PHE A 60 -9.359 1.410 4.150 1.00 0.00 N ATOM 845 CA PHE A 60 -8.931 0.139 3.578 1.00 0.00 C ATOM 846 C PHE A 60 -8.369 0.337 2.173 1.00 0.00 C ATOM 847 O PHE A 60 -7.262 -0.108 1.865 1.00 0.00 O ATOM 848 CB PHE A 60 -10.101 -0.846 3.537 1.00 0.00 C ATOM 849 CG PHE A 60 -9.673 -2.286 3.551 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.842 -2.766 4.550 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.102 -3.159 2.564 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.447 -4.090 4.566 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.710 -4.484 2.574 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.881 -4.950 3.576 1.00 0.00 C ATOM 0 H PHE A 60 -10.194 1.350 4.733 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.144 -0.269 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.752 -0.660 4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.691 -0.659 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.499 -2.097 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.750 -2.800 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.800 -4.452 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.051 -5.155 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.573 -5.985 3.585 1.00 0.00 H new ATOM 864 N THR A 61 -9.140 1.008 1.322 1.00 0.00 N ATOM 865 CA THR A 61 -8.722 1.264 -0.050 1.00 0.00 C ATOM 866 C THR A 61 -7.358 1.944 -0.091 1.00 0.00 C ATOM 867 O THR A 61 -6.385 1.376 -0.587 1.00 0.00 O ATOM 868 CB THR A 61 -9.744 2.143 -0.794 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.021 1.496 -0.819 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.284 2.422 -2.217 1.00 0.00 C ATOM 0 H THR A 61 -10.058 1.384 1.560 1.00 0.00 H new ATOM 0 HA THR A 61 -8.657 0.296 -0.547 1.00 0.00 H new ATOM 0 HB THR A 61 -9.828 3.091 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.666 2.062 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.022 3.045 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.326 2.941 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.174 1.480 -2.755 1.00 0.00 H new ATOM 878 N ARG A 62 -7.294 3.163 0.433 1.00 0.00 N ATOM 879 CA ARG A 62 -6.049 3.921 0.455 1.00 0.00 C ATOM 880 C ARG A 62 -4.878 3.031 0.863 1.00 0.00 C ATOM 881 O ARG A 62 -3.866 2.962 0.165 1.00 0.00 O ATOM 882 CB ARG A 62 -6.164 5.104 1.419 1.00 0.00 C ATOM 883 CG ARG A 62 -6.678 6.375 0.764 1.00 0.00 C ATOM 884 CD ARG A 62 -6.129 7.617 1.450 1.00 0.00 C ATOM 885 NE ARG A 62 -6.253 8.805 0.611 1.00 0.00 N ATOM 886 CZ ARG A 62 -6.164 10.046 1.077 1.00 0.00 C ATOM 887 NH1 ARG A 62 -5.952 10.259 2.368 1.00 0.00 N ATOM 888 NH2 ARG A 62 -6.288 11.077 0.250 1.00 0.00 N ATOM 0 H ARG A 62 -8.090 3.647 0.848 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.864 4.297 -0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.831 4.832 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.186 5.301 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.394 6.384 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.767 6.389 0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.661 7.778 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.080 7.459 1.702 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.417 8.675 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.857 9.469 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.884 11.213 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.452 10.917 -0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.220 12.029 0.609 1.00 0.00 H new ATOM 902 N ILE A 63 -5.023 2.353 1.996 1.00 0.00 N ATOM 903 CA ILE A 63 -3.979 1.468 2.496 1.00 0.00 C ATOM 904 C ILE A 63 -3.436 0.576 1.384 1.00 0.00 C ATOM 905 O ILE A 63 -2.226 0.486 1.181 1.00 0.00 O ATOM 906 CB ILE A 63 -4.494 0.581 3.645 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.927 1.446 4.830 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.422 -0.411 4.070 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.848 0.732 5.795 1.00 0.00 C ATOM 0 H ILE A 63 -5.854 2.400 2.585 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.179 2.105 2.872 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.360 0.021 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.040 1.782 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.428 2.338 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.801 -1.031 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.157 -1.045 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.539 0.131 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.114 1.405 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.752 0.420 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.342 -0.145 6.200 1.00 0.00 H new ATOM 921 N SER A 64 -4.341 -0.082 0.666 1.00 0.00 N ATOM 922 CA SER A 64 -3.954 -0.969 -0.425 1.00 0.00 C ATOM 923 C SER A 64 -3.104 -0.228 -1.452 1.00 0.00 C ATOM 924 O SER A 64 -2.097 -0.748 -1.931 1.00 0.00 O ATOM 925 CB SER A 64 -5.196 -1.554 -1.100 1.00 0.00 C ATOM 926 OG SER A 64 -4.867 -2.152 -2.342 1.00 0.00 O ATOM 0 H SER A 64 -5.347 -0.018 0.820 1.00 0.00 H new ATOM 0 HA SER A 64 -3.360 -1.782 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.654 -2.296 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.934 -0.767 -1.256 1.00 0.00 H new ATOM 0 HG SER A 64 -5.677 -2.520 -2.753 1.00 0.00 H new ATOM 932 N GLN A 65 -3.519 0.990 -1.786 1.00 0.00 N ATOM 933 CA GLN A 65 -2.797 1.803 -2.757 1.00 0.00 C ATOM 934 C GLN A 65 -1.331 1.951 -2.361 1.00 0.00 C ATOM 935 O GLN A 65 -0.439 1.867 -3.204 1.00 0.00 O ATOM 936 CB GLN A 65 -3.445 3.183 -2.882 1.00 0.00 C ATOM 937 CG GLN A 65 -4.947 3.130 -3.114 1.00 0.00 C ATOM 938 CD GLN A 65 -5.480 4.389 -3.770 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.744 5.353 -3.980 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.767 4.386 -4.098 1.00 0.00 N ATOM 0 H GLN A 65 -4.351 1.435 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.845 1.298 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.246 3.753 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.977 3.722 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.184 2.270 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.453 2.979 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.340 3.565 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.182 5.205 -4.543 1.00 0.00 H new ATOM 949 N ALA A 66 -1.091 2.173 -1.073 1.00 0.00 N ATOM 950 CA ALA A 66 0.265 2.331 -0.564 1.00 0.00 C ATOM 951 C ALA A 66 1.115 1.103 -0.875 1.00 0.00 C ATOM 952 O ALA A 66 2.332 1.202 -1.032 1.00 0.00 O ATOM 953 CB ALA A 66 0.241 2.593 0.934 1.00 0.00 C ATOM 0 H ALA A 66 -1.819 2.247 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 66 0.715 3.189 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.261 2.709 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.322 3.504 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.234 1.754 1.443 1.00 0.00 H new ATOM 959 N TYR A 67 0.466 -0.053 -0.961 1.00 0.00 N ATOM 960 CA TYR A 67 1.162 -1.301 -1.250 1.00 0.00 C ATOM 961 C TYR A 67 1.385 -1.466 -2.750 1.00 0.00 C ATOM 962 O TYR A 67 1.725 -2.550 -3.223 1.00 0.00 O ATOM 963 CB TYR A 67 0.368 -2.490 -0.707 1.00 0.00 C ATOM 964 CG TYR A 67 1.157 -3.779 -0.668 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.415 -3.828 -0.080 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.646 -4.946 -1.221 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.141 -5.003 -0.043 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.364 -6.126 -1.187 1.00 0.00 C ATOM 969 CZ TYR A 67 2.611 -6.149 -0.597 1.00 0.00 C ATOM 970 OH TYR A 67 3.330 -7.322 -0.563 1.00 0.00 O ATOM 0 H TYR A 67 -0.541 -0.152 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 67 2.134 -1.267 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.022 -2.255 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.519 -2.636 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.832 -2.932 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.329 -4.931 -1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.118 -5.024 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.951 -7.025 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 67 2.814 -8.035 -0.995 1.00 0.00 H new ATOM 980 N VAL A 68 1.190 -0.381 -3.493 1.00 0.00 N ATOM 981 CA VAL A 68 1.371 -0.404 -4.940 1.00 0.00 C ATOM 982 C VAL A 68 2.638 0.340 -5.347 1.00 0.00 C ATOM 983 O VAL A 68 3.633 -0.272 -5.736 1.00 0.00 O ATOM 984 CB VAL A 68 0.166 0.223 -5.666 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.377 0.197 -7.172 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.118 -0.500 -5.287 1.00 0.00 C ATOM 0 H VAL A 68 0.907 0.524 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 68 1.458 -1.451 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 68 0.077 1.264 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.485 0.644 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.274 0.762 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.493 -0.834 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.960 -0.044 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.041 -1.550 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.274 -0.424 -4.211 1.00 0.00 H new ATOM 996 N VAL A 69 2.596 1.666 -5.254 1.00 0.00 N ATOM 997 CA VAL A 69 3.741 2.494 -5.610 1.00 0.00 C ATOM 998 C VAL A 69 4.988 2.068 -4.843 1.00 0.00 C ATOM 999 O VAL A 69 6.111 2.242 -5.317 1.00 0.00 O ATOM 1000 CB VAL A 69 3.465 3.984 -5.332 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.576 4.849 -5.905 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.114 4.390 -5.903 1.00 0.00 C ATOM 0 H VAL A 69 1.781 2.189 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 69 3.910 2.356 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 69 3.439 4.136 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.363 5.898 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.525 4.574 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.637 4.696 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.935 5.445 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.109 4.224 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.329 3.792 -5.440 1.00 0.00 H new ATOM 1012 N LEU A 70 4.783 1.510 -3.656 1.00 0.00 N ATOM 1013 CA LEU A 70 5.891 1.057 -2.821 1.00 0.00 C ATOM 1014 C LEU A 70 6.007 -0.463 -2.849 1.00 0.00 C ATOM 1015 O LEU A 70 7.044 -1.023 -2.494 1.00 0.00 O ATOM 1016 CB LEU A 70 5.701 1.540 -1.382 1.00 0.00 C ATOM 1017 CG LEU A 70 5.375 3.024 -1.209 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.955 3.315 0.223 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.569 3.882 -1.602 1.00 0.00 C ATOM 0 H LEU A 70 3.860 1.360 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 70 6.812 1.480 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.900 0.957 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.611 1.321 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 70 4.542 3.272 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.727 4.376 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.070 2.728 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.766 3.050 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.319 4.935 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.421 3.631 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.824 3.695 -2.645 1.00 0.00 H new ATOM 1031 N GLY A 71 4.937 -1.127 -3.275 1.00 0.00 N ATOM 1032 CA GLY A 71 4.941 -2.576 -3.343 1.00 0.00 C ATOM 1033 C GLY A 71 6.186 -3.122 -4.013 1.00 0.00 C ATOM 1034 O GLY A 71 6.690 -4.179 -3.634 1.00 0.00 O ATOM 0 H GLY A 71 4.067 -0.687 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.866 -2.984 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.060 -2.913 -3.890 1.00 0.00 H new ATOM 1038 N SER A 72 6.684 -2.400 -5.012 1.00 0.00 N ATOM 1039 CA SER A 72 7.875 -2.821 -5.739 1.00 0.00 C ATOM 1040 C SER A 72 9.003 -1.808 -5.567 1.00 0.00 C ATOM 1041 O SER A 72 8.764 -0.647 -5.239 1.00 0.00 O ATOM 1042 CB SER A 72 7.556 -2.997 -7.225 1.00 0.00 C ATOM 1043 OG SER A 72 8.670 -3.520 -7.928 1.00 0.00 O ATOM 0 H SER A 72 6.281 -1.521 -5.336 1.00 0.00 H new ATOM 0 HA SER A 72 8.202 -3.777 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.703 -3.666 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.269 -2.037 -7.655 1.00 0.00 H new ATOM 0 HG SER A 72 8.440 -3.625 -8.875 1.00 0.00 H new ATOM 1049 N ALA A 73 10.234 -2.259 -5.790 1.00 0.00 N ATOM 1050 CA ALA A 73 11.399 -1.393 -5.662 1.00 0.00 C ATOM 1051 C ALA A 73 11.499 -0.429 -6.839 1.00 0.00 C ATOM 1052 O ALA A 73 11.892 0.727 -6.677 1.00 0.00 O ATOM 1053 CB ALA A 73 12.667 -2.227 -5.551 1.00 0.00 C ATOM 0 H ALA A 73 10.449 -3.219 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 73 11.284 -0.803 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.529 -1.567 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.604 -2.870 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.777 -2.842 -6.444 1.00 0.00 H new ATOM 1059 N THR A 74 11.143 -0.912 -8.025 1.00 0.00 N ATOM 1060 CA THR A 74 11.194 -0.093 -9.230 1.00 0.00 C ATOM 1061 C THR A 74 10.311 1.141 -9.094 1.00 0.00 C ATOM 1062 O THR A 74 10.807 2.264 -8.991 1.00 0.00 O ATOM 1063 CB THR A 74 10.753 -0.892 -10.471 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.404 -2.168 -10.489 1.00 0.00 O ATOM 1065 CG2 THR A 74 11.079 -0.132 -11.748 1.00 0.00 C ATOM 0 H THR A 74 10.816 -1.866 -8.177 1.00 0.00 H new ATOM 0 HA THR A 74 12.231 0.218 -9.357 1.00 0.00 H new ATOM 0 HB THR A 74 9.674 -1.036 -10.419 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.117 -2.670 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.758 -0.716 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.559 0.826 -11.744 1.00 0.00 H new ATOM 0 HG23 THR A 74 12.154 0.039 -11.805 1.00 0.00 H new ATOM 1073 N LEU A 75 8.999 0.928 -9.095 1.00 0.00 N ATOM 1074 CA LEU A 75 8.045 2.025 -8.971 1.00 0.00 C ATOM 1075 C LEU A 75 8.592 3.121 -8.063 1.00 0.00 C ATOM 1076 O LEU A 75 8.577 4.300 -8.418 1.00 0.00 O ATOM 1077 CB LEU A 75 6.714 1.509 -8.423 1.00 0.00 C ATOM 1078 CG LEU A 75 6.110 0.305 -9.148 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.660 0.107 -8.737 1.00 0.00 C ATOM 1080 CD2 LEU A 75 6.220 0.481 -10.656 1.00 0.00 C ATOM 0 H LEU A 75 8.572 0.006 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 75 7.883 2.448 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.854 1.244 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.992 2.325 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 75 6.671 -0.585 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.247 -0.754 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.607 -0.065 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.085 0.997 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.785 -0.385 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.684 1.381 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.269 0.573 -10.936 1.00 0.00 H new ATOM 1092 N ARG A 76 9.075 2.725 -6.890 1.00 0.00 N ATOM 1093 CA ARG A 76 9.627 3.674 -5.930 1.00 0.00 C ATOM 1094 C ARG A 76 10.571 4.655 -6.619 1.00 0.00 C ATOM 1095 O ARG A 76 10.448 5.869 -6.455 1.00 0.00 O ATOM 1096 CB ARG A 76 10.368 2.933 -4.816 1.00 0.00 C ATOM 1097 CG ARG A 76 9.482 2.558 -3.640 1.00 0.00 C ATOM 1098 CD ARG A 76 10.104 1.450 -2.804 1.00 0.00 C ATOM 1099 NE ARG A 76 10.991 1.976 -1.770 1.00 0.00 N ATOM 1100 CZ ARG A 76 12.261 2.301 -1.987 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.789 2.154 -3.194 1.00 0.00 N ATOM 1102 NH2 ARG A 76 13.004 2.774 -0.995 1.00 0.00 N ATOM 0 H ARG A 76 9.095 1.753 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 76 8.800 4.236 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.814 2.027 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.187 3.557 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.314 3.435 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.507 2.236 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.314 0.861 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.664 0.777 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 76 10.615 2.101 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.220 1.791 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.764 2.404 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.600 2.888 -0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.979 3.023 -1.162 1.00 0.00 H new ATOM 1116 N ARG A 77 11.514 4.121 -7.388 1.00 0.00 N ATOM 1117 CA ARG A 77 12.480 4.949 -8.100 1.00 0.00 C ATOM 1118 C ARG A 77 11.773 5.944 -9.015 1.00 0.00 C ATOM 1119 O ARG A 77 12.172 7.105 -9.114 1.00 0.00 O ATOM 1120 CB ARG A 77 13.430 4.073 -8.918 1.00 0.00 C ATOM 1121 CG ARG A 77 12.961 3.833 -10.344 1.00 0.00 C ATOM 1122 CD ARG A 77 13.692 2.661 -10.981 1.00 0.00 C ATOM 1123 NE ARG A 77 14.967 3.065 -11.567 1.00 0.00 N ATOM 1124 CZ ARG A 77 15.859 2.207 -12.049 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.615 0.904 -12.016 1.00 0.00 N ATOM 1126 NH2 ARG A 77 16.997 2.651 -12.567 1.00 0.00 N ATOM 0 H ARG A 77 11.630 3.118 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 77 13.056 5.507 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.413 4.542 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.547 3.112 -8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.888 3.640 -10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.125 4.732 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.866 1.891 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.063 2.217 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 77 15.185 4.061 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.741 0.559 -11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.302 0.247 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.188 3.653 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.681 1.991 -12.937 1.00 0.00 H new ATOM 1140 N LYS A 78 10.722 5.482 -9.683 1.00 0.00 N ATOM 1141 CA LYS A 78 9.958 6.330 -10.590 1.00 0.00 C ATOM 1142 C LYS A 78 9.326 7.498 -9.840 1.00 0.00 C ATOM 1143 O LYS A 78 9.314 8.629 -10.329 1.00 0.00 O ATOM 1144 CB LYS A 78 8.870 5.513 -11.291 1.00 0.00 C ATOM 1145 CG LYS A 78 9.404 4.299 -12.033 1.00 0.00 C ATOM 1146 CD LYS A 78 8.385 3.754 -13.018 1.00 0.00 C ATOM 1147 CE LYS A 78 9.052 2.945 -14.120 1.00 0.00 C ATOM 1148 NZ LYS A 78 8.153 1.882 -14.649 1.00 0.00 N ATOM 0 H LYS A 78 10.379 4.524 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 78 10.643 6.729 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.141 5.184 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.342 6.156 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.317 4.569 -12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.670 3.522 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.666 3.128 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.826 4.579 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.345 3.610 -14.932 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.965 2.490 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.644 1.353 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.893 1.232 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.293 2.317 -15.040 1.00 0.00 H new ATOM 1162 N TYR A 79 8.803 7.219 -8.652 1.00 0.00 N ATOM 1163 CA TYR A 79 8.169 8.247 -7.835 1.00 0.00 C ATOM 1164 C TYR A 79 9.152 9.367 -7.509 1.00 0.00 C ATOM 1165 O TYR A 79 8.817 10.548 -7.598 1.00 0.00 O ATOM 1166 CB TYR A 79 7.626 7.638 -6.541 1.00 0.00 C ATOM 1167 CG TYR A 79 6.710 8.563 -5.774 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.534 9.037 -6.343 1.00 0.00 C ATOM 1169 CD2 TYR A 79 7.020 8.965 -4.480 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.693 9.883 -5.645 1.00 0.00 C ATOM 1171 CE2 TYR A 79 6.185 9.810 -3.775 1.00 0.00 C ATOM 1172 CZ TYR A 79 5.023 10.267 -4.362 1.00 0.00 C ATOM 1173 OH TYR A 79 4.189 11.110 -3.664 1.00 0.00 O ATOM 0 H TYR A 79 8.805 6.289 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 79 7.341 8.669 -8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.086 6.722 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.463 7.358 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.273 8.739 -7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.929 8.611 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.782 10.241 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.440 10.111 -2.770 1.00 0.00 H new ATOM 0 HH TYR A 79 4.558 11.269 -2.770 1.00 0.00 H new ATOM 1183 N ASP A 80 10.368 8.987 -7.131 1.00 0.00 N ATOM 1184 CA ASP A 80 11.402 9.958 -6.793 1.00 0.00 C ATOM 1185 C ASP A 80 11.859 10.720 -8.033 1.00 0.00 C ATOM 1186 O ASP A 80 12.473 11.782 -7.930 1.00 0.00 O ATOM 1187 CB ASP A 80 12.596 9.258 -6.141 1.00 0.00 C ATOM 1188 CG ASP A 80 13.405 10.191 -5.263 1.00 0.00 C ATOM 1189 OD1 ASP A 80 13.525 11.383 -5.615 1.00 0.00 O ATOM 1190 OD2 ASP A 80 13.919 9.729 -4.222 1.00 0.00 O ATOM 0 H ASP A 80 10.662 8.013 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 80 10.978 10.671 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.240 8.419 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.240 8.845 -6.918 1.00 0.00 H new ATOM 1195 N ARG A 81 11.555 10.170 -9.204 1.00 0.00 N ATOM 1196 CA ARG A 81 11.936 10.796 -10.464 1.00 0.00 C ATOM 1197 C ARG A 81 10.715 11.365 -11.180 1.00 0.00 C ATOM 1198 O ARG A 81 10.795 11.772 -12.338 1.00 0.00 O ATOM 1199 CB ARG A 81 12.645 9.785 -11.367 1.00 0.00 C ATOM 1200 CG ARG A 81 13.999 9.340 -10.839 1.00 0.00 C ATOM 1201 CD ARG A 81 14.832 10.525 -10.374 1.00 0.00 C ATOM 1202 NE ARG A 81 16.203 10.137 -10.053 1.00 0.00 N ATOM 1203 CZ ARG A 81 17.143 11.000 -9.685 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.862 12.293 -9.593 1.00 0.00 N ATOM 1205 NH2 ARG A 81 18.368 10.571 -9.409 1.00 0.00 N ATOM 0 H ARG A 81 11.046 9.292 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 81 12.619 11.615 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.007 8.910 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.777 10.224 -12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.858 8.646 -10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.536 8.800 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.844 11.288 -11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.367 10.973 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 81 16.452 9.150 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.922 12.627 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.586 12.953 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.588 9.578 -9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.089 11.235 -9.126 1.00 0.00 H new ATOM 1219 N GLY A 82 9.583 11.389 -10.482 1.00 0.00 N ATOM 1220 CA GLY A 82 8.361 11.908 -11.067 1.00 0.00 C ATOM 1221 C GLY A 82 7.994 11.208 -12.360 1.00 0.00 C ATOM 1222 O GLY A 82 7.266 11.758 -13.187 1.00 0.00 O ATOM 0 H GLY A 82 9.491 11.058 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.545 11.797 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.477 12.975 -11.256 1.00 0.00 H new ATOM 1226 N LEU A 83 8.499 9.992 -12.536 1.00 0.00 N ATOM 1227 CA LEU A 83 8.221 9.215 -13.739 1.00 0.00 C ATOM 1228 C LEU A 83 6.912 8.444 -13.599 1.00 0.00 C ATOM 1229 O LEU A 83 6.315 8.027 -14.593 1.00 0.00 O ATOM 1230 CB LEU A 83 9.370 8.245 -14.020 1.00 0.00 C ATOM 1231 CG LEU A 83 10.745 8.878 -14.233 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.839 7.826 -14.126 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.807 9.578 -15.583 1.00 0.00 C ATOM 0 H LEU A 83 9.103 9.523 -11.861 1.00 0.00 H new ATOM 0 HA LEU A 83 8.126 9.908 -14.575 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.440 7.545 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.119 7.663 -14.907 1.00 0.00 H new ATOM 0 HG LEU A 83 10.906 9.622 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.811 8.295 -14.280 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.809 7.370 -13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.682 7.059 -14.884 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.793 10.023 -15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.624 8.854 -16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.048 10.359 -15.623 1.00 0.00 H new ATOM 1245 N LEU A 84 6.470 8.259 -12.360 1.00 0.00 N ATOM 1246 CA LEU A 84 5.230 7.540 -12.090 1.00 0.00 C ATOM 1247 C LEU A 84 4.024 8.325 -12.595 1.00 0.00 C ATOM 1248 O LEU A 84 4.059 9.553 -12.676 1.00 0.00 O ATOM 1249 CB LEU A 84 5.088 7.275 -10.590 1.00 0.00 C ATOM 1250 CG LEU A 84 4.039 6.237 -10.188 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.591 4.830 -10.353 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.582 6.468 -8.755 1.00 0.00 C ATOM 0 H LEU A 84 6.952 8.597 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 84 5.268 6.588 -12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.055 6.952 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.846 8.216 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 84 3.176 6.346 -10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.831 4.105 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.868 4.668 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.470 4.708 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.836 5.720 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.436 6.386 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.146 7.463 -8.668 1.00 0.00 H new ATOM 1264 N SER A 85 2.957 7.608 -12.933 1.00 0.00 N ATOM 1265 CA SER A 85 1.740 8.238 -13.433 1.00 0.00 C ATOM 1266 C SER A 85 0.503 7.476 -12.965 1.00 0.00 C ATOM 1267 O SER A 85 0.590 6.315 -12.565 1.00 0.00 O ATOM 1268 CB SER A 85 1.765 8.304 -14.961 1.00 0.00 C ATOM 1269 OG SER A 85 0.984 9.386 -15.438 1.00 0.00 O ATOM 0 H SER A 85 2.910 6.591 -12.870 1.00 0.00 H new ATOM 0 HA SER A 85 1.694 9.251 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.793 8.413 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.388 7.369 -15.375 1.00 0.00 H new ATOM 0 HG SER A 85 1.018 9.407 -16.417 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.647 8.139 -13.019 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.903 7.526 -12.602 1.00 0.00 C ATOM 1277 C ASP A 86 -2.091 6.166 -13.267 1.00 0.00 C ATOM 1278 O ASP A 86 -2.690 5.260 -12.690 1.00 0.00 O ATOM 1279 CB ASP A 86 -3.080 8.441 -12.943 1.00 0.00 C ATOM 1280 CG ASP A 86 -3.281 9.534 -11.911 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -3.124 9.248 -10.705 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.594 10.675 -12.309 1.00 0.00 O ATOM 0 H ASP A 86 -0.736 9.101 -13.347 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.867 7.381 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.913 8.894 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.990 7.845 -13.019 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.575 6.033 -14.485 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.688 4.784 -15.229 1.00 0.00 C ATOM 1289 C GLU A 87 -1.337 3.590 -14.346 1.00 0.00 C ATOM 1290 O GLU A 87 -1.853 2.489 -14.538 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.774 4.810 -16.456 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.773 3.510 -17.243 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.911 3.431 -18.241 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -2.037 4.354 -19.073 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.677 2.446 -18.191 1.00 0.00 O ATOM 0 H GLU A 87 -1.075 6.774 -14.977 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.722 4.680 -15.557 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.085 5.622 -17.113 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.244 5.031 -16.135 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.175 3.410 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.843 2.671 -16.551 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.457 3.817 -13.377 1.00 0.00 N ATOM 1303 CA ASP A 88 -0.036 2.762 -12.463 1.00 0.00 C ATOM 1304 C ASP A 88 -1.188 2.337 -11.557 1.00 0.00 C ATOM 1305 O ASP A 88 -1.340 1.156 -11.240 1.00 0.00 O ATOM 1306 CB ASP A 88 1.147 3.232 -11.617 1.00 0.00 C ATOM 1307 CG ASP A 88 0.709 3.894 -10.325 1.00 0.00 C ATOM 1308 OD1 ASP A 88 0.169 3.186 -9.450 1.00 0.00 O ATOM 1309 OD2 ASP A 88 0.905 5.120 -10.189 1.00 0.00 O ATOM 0 H ASP A 88 -0.021 4.723 -13.204 1.00 0.00 H new ATOM 0 HA ASP A 88 0.272 1.902 -13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.786 2.380 -11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.748 3.934 -12.196 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.996 3.306 -11.143 1.00 0.00 N ATOM 1315 CA LEU A 89 -3.135 3.033 -10.272 1.00 0.00 C ATOM 1316 C LEU A 89 -4.383 2.717 -11.090 1.00 0.00 C ATOM 1317 O LEU A 89 -4.891 1.596 -11.057 1.00 0.00 O ATOM 1318 CB LEU A 89 -3.401 4.230 -9.357 1.00 0.00 C ATOM 1319 CG LEU A 89 -2.167 4.892 -8.742 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -2.414 6.375 -8.517 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.790 4.207 -7.436 1.00 0.00 C ATOM 0 H LEU A 89 -1.884 4.288 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.893 2.163 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.947 4.983 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.056 3.905 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.335 4.785 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.525 6.829 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.635 6.856 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.259 6.505 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.910 4.691 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.620 4.282 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.570 3.157 -7.626 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.869 3.711 -11.826 1.00 0.00 N ATOM 1334 CA ARG A 90 -6.057 3.538 -12.654 1.00 0.00 C ATOM 1335 C ARG A 90 -6.030 2.191 -13.369 1.00 0.00 C ATOM 1336 O ARG A 90 -7.060 1.534 -13.516 1.00 0.00 O ATOM 1337 CB ARG A 90 -6.159 4.670 -13.678 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.979 4.734 -14.634 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.222 3.892 -15.877 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.151 4.537 -16.801 1.00 0.00 N ATOM 1341 CZ ARG A 90 -5.789 5.469 -17.676 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -4.525 5.862 -17.746 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -6.693 6.008 -18.485 1.00 0.00 N ATOM 0 H ARG A 90 -4.459 4.644 -11.866 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.931 3.566 -12.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.076 4.546 -14.254 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.240 5.620 -13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.800 5.769 -14.924 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.079 4.385 -14.127 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.274 3.711 -16.383 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.618 2.919 -15.585 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.131 4.257 -16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.827 5.449 -17.127 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.250 6.578 -18.419 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.666 5.707 -18.435 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.414 6.723 -19.156 1.00 0.00 H new ATOM 1357 N GLY A 91 -4.844 1.785 -13.812 1.00 0.00 N ATOM 1358 CA GLY A 91 -4.705 0.519 -14.507 1.00 0.00 C ATOM 1359 C GLY A 91 -5.556 0.448 -15.759 1.00 0.00 C ATOM 1360 O GLY A 91 -6.652 1.006 -15.823 1.00 0.00 O ATOM 0 H GLY A 91 -3.977 2.311 -13.702 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.659 0.367 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.984 -0.293 -13.835 1.00 0.00 H new ATOM 1364 N PRO A 92 -5.049 -0.251 -16.785 1.00 0.00 N ATOM 1365 CA PRO A 92 -5.754 -0.408 -18.061 1.00 0.00 C ATOM 1366 C PRO A 92 -6.986 -1.297 -17.937 1.00 0.00 C ATOM 1367 O PRO A 92 -6.886 -2.464 -17.558 1.00 0.00 O ATOM 1368 CB PRO A 92 -4.708 -1.066 -18.965 1.00 0.00 C ATOM 1369 CG PRO A 92 -3.792 -1.776 -18.030 1.00 0.00 C ATOM 1370 CD PRO A 92 -3.749 -0.942 -16.779 1.00 0.00 C ATOM 0 HA PRO A 92 -6.128 0.543 -18.440 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.171 -1.759 -19.667 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.172 -0.323 -19.556 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.155 -2.781 -17.816 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.797 -1.881 -18.463 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.626 -1.559 -15.889 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.919 -0.236 -16.795 1.00 0.00 H new ATOM 1378 N GLY A 93 -8.149 -0.739 -18.259 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.384 -1.496 -18.177 1.00 0.00 C ATOM 1380 C GLY A 93 -9.539 -2.478 -19.321 1.00 0.00 C ATOM 1381 O GLY A 93 -9.609 -2.081 -20.484 1.00 0.00 O ATOM 0 H GLY A 93 -8.258 0.225 -18.575 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.413 -2.037 -17.231 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.229 -0.808 -18.176 1.00 0.00 H new ATOM 1385 N SER A 94 -9.591 -3.765 -18.992 1.00 0.00 N ATOM 1386 CA SER A 94 -9.733 -4.807 -20.001 1.00 0.00 C ATOM 1387 C SER A 94 -10.880 -5.750 -19.651 1.00 0.00 C ATOM 1388 O SER A 94 -11.462 -5.664 -18.571 1.00 0.00 O ATOM 1389 CB SER A 94 -8.430 -5.599 -20.134 1.00 0.00 C ATOM 1390 OG SER A 94 -8.215 -6.421 -19.000 1.00 0.00 O ATOM 0 H SER A 94 -9.537 -4.111 -18.034 1.00 0.00 H new ATOM 0 HA SER A 94 -9.958 -4.327 -20.954 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.465 -6.215 -21.032 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.593 -4.911 -20.252 1.00 0.00 H new ATOM 0 HG SER A 94 -7.377 -6.918 -19.110 1.00 0.00 H new ATOM 1396 N GLY A 95 -11.201 -6.650 -20.576 1.00 0.00 N ATOM 1397 CA GLY A 95 -12.278 -7.596 -20.348 1.00 0.00 C ATOM 1398 C GLY A 95 -11.847 -8.770 -19.491 1.00 0.00 C ATOM 1399 O GLY A 95 -10.659 -8.987 -19.250 1.00 0.00 O ATOM 0 H GLY A 95 -10.735 -6.741 -21.479 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.111 -7.084 -19.866 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.643 -7.965 -21.307 1.00 0.00 H new ATOM 1403 N PRO A 96 -12.827 -9.551 -19.013 1.00 0.00 N ATOM 1404 CA PRO A 96 -12.567 -10.721 -18.170 1.00 0.00 C ATOM 1405 C PRO A 96 -11.905 -11.857 -18.943 1.00 0.00 C ATOM 1406 O PRO A 96 -12.374 -12.249 -20.012 1.00 0.00 O ATOM 1407 CB PRO A 96 -13.963 -11.137 -17.699 1.00 0.00 C ATOM 1408 CG PRO A 96 -14.885 -10.623 -18.750 1.00 0.00 C ATOM 1409 CD PRO A 96 -14.265 -9.351 -19.260 1.00 0.00 C ATOM 0 HA PRO A 96 -11.879 -10.492 -17.356 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.041 -12.220 -17.599 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.196 -10.709 -16.724 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -15.003 -11.349 -19.554 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.878 -10.436 -18.341 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.474 -9.198 -20.319 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -14.646 -8.478 -18.731 1.00 0.00 H new ATOM 1417 N SER A 97 -10.814 -12.383 -18.395 1.00 0.00 N ATOM 1418 CA SER A 97 -10.086 -13.472 -19.036 1.00 0.00 C ATOM 1419 C SER A 97 -11.033 -14.604 -19.422 1.00 0.00 C ATOM 1420 O SER A 97 -12.016 -14.870 -18.730 1.00 0.00 O ATOM 1421 CB SER A 97 -8.994 -14.000 -18.104 1.00 0.00 C ATOM 1422 OG SER A 97 -8.032 -12.998 -17.826 1.00 0.00 O ATOM 0 H SER A 97 -10.415 -12.073 -17.509 1.00 0.00 H new ATOM 0 HA SER A 97 -9.623 -13.084 -19.943 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.442 -14.346 -17.173 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.506 -14.860 -18.562 1.00 0.00 H new ATOM 0 HG SER A 97 -7.346 -13.360 -17.227 1.00 0.00 H new ATOM 1428 N SER A 98 -10.728 -15.269 -20.532 1.00 0.00 N ATOM 1429 CA SER A 98 -11.553 -16.371 -21.014 1.00 0.00 C ATOM 1430 C SER A 98 -11.434 -17.581 -20.093 1.00 0.00 C ATOM 1431 O SER A 98 -10.423 -18.282 -20.097 1.00 0.00 O ATOM 1432 CB SER A 98 -11.145 -16.756 -22.437 1.00 0.00 C ATOM 1433 OG SER A 98 -11.317 -15.669 -23.329 1.00 0.00 O ATOM 0 H SER A 98 -9.916 -15.064 -21.114 1.00 0.00 H new ATOM 0 HA SER A 98 -12.592 -16.041 -21.019 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.103 -17.076 -22.446 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.742 -17.604 -22.773 1.00 0.00 H new ATOM 0 HG SER A 98 -11.048 -15.940 -24.231 1.00 0.00 H new ATOM 1439 N GLY A 99 -12.477 -17.821 -19.303 1.00 0.00 N ATOM 1440 CA GLY A 99 -12.471 -18.946 -18.387 1.00 0.00 C ATOM 1441 C GLY A 99 -13.593 -19.926 -18.666 1.00 0.00 C ATOM 1442 O GLY A 99 -13.358 -21.016 -19.188 1.00 0.00 O ATOM 0 H GLY A 99 -13.326 -17.256 -19.282 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.514 -19.464 -18.458 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.559 -18.579 -17.365 1.00 0.00 H new TER 1446 GLY A 99