USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=33 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 Set 1.1: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0155 (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 20:sc= 0.891 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= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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 180:sc= 0.0103 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 33 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.1) 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 :FLIP amide:sc= -0.545 F(o=-1.1,f=-0.55) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.49 K(o=0.49,f=-0.63) USER MOD Single : A 51 SER OG : rot 33:sc= 1.27 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= -0.184 K(o=-0.18,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 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 22.772 -5.600 11.505 1.00 0.00 N ATOM 2 CA GLY A 1 21.379 -5.280 11.254 1.00 0.00 C ATOM 3 C GLY A 1 21.143 -3.789 11.110 1.00 0.00 C ATOM 4 O GLY A 1 21.987 -3.069 10.577 1.00 0.00 O ATOM 0 H1 GLY A 1 23.063 -6.388 10.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.361 -4.768 11.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.891 -5.874 12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.051 -5.786 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.768 -5.664 12.071 1.00 0.00 H new ATOM 8 N SER A 2 19.992 -3.325 11.586 1.00 0.00 N ATOM 9 CA SER A 2 19.646 -1.911 11.503 1.00 0.00 C ATOM 10 C SER A 2 18.511 -1.572 12.464 1.00 0.00 C ATOM 11 O SER A 2 17.816 -2.460 12.959 1.00 0.00 O ATOM 12 CB SER A 2 19.243 -1.546 10.072 1.00 0.00 C ATOM 13 OG SER A 2 18.120 -2.299 9.650 1.00 0.00 O ATOM 0 H SER A 2 19.284 -3.907 12.033 1.00 0.00 H new ATOM 0 HA SER A 2 20.524 -1.330 11.786 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.013 -0.482 10.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.080 -1.727 9.398 1.00 0.00 H new ATOM 0 HG SER A 2 17.882 -2.046 8.734 1.00 0.00 H new ATOM 19 N SER A 3 18.329 -0.282 12.725 1.00 0.00 N ATOM 20 CA SER A 3 17.281 0.176 13.630 1.00 0.00 C ATOM 21 C SER A 3 16.291 1.079 12.902 1.00 0.00 C ATOM 22 O SER A 3 16.501 1.446 11.746 1.00 0.00 O ATOM 23 CB SER A 3 17.893 0.923 14.816 1.00 0.00 C ATOM 24 OG SER A 3 18.482 0.021 15.738 1.00 0.00 O ATOM 0 H SER A 3 18.894 0.466 12.322 1.00 0.00 H new ATOM 0 HA SER A 3 16.745 -0.699 13.998 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.646 1.625 14.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.123 1.509 15.317 1.00 0.00 H new ATOM 0 HG SER A 3 18.868 0.523 16.486 1.00 0.00 H new ATOM 30 N GLY A 4 15.208 1.435 13.588 1.00 0.00 N ATOM 31 CA GLY A 4 14.201 2.292 12.992 1.00 0.00 C ATOM 32 C GLY A 4 13.505 3.168 14.015 1.00 0.00 C ATOM 33 O GLY A 4 13.093 2.691 15.073 1.00 0.00 O ATOM 0 H GLY A 4 15.011 1.145 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.667 2.923 12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.460 1.676 12.482 1.00 0.00 H new ATOM 37 N SER A 5 13.376 4.453 13.702 1.00 0.00 N ATOM 38 CA SER A 5 12.731 5.398 14.605 1.00 0.00 C ATOM 39 C SER A 5 11.860 6.382 13.830 1.00 0.00 C ATOM 40 O SER A 5 12.365 7.227 13.091 1.00 0.00 O ATOM 41 CB SER A 5 13.781 6.160 15.416 1.00 0.00 C ATOM 42 OG SER A 5 14.532 7.031 14.589 1.00 0.00 O ATOM 0 H SER A 5 13.710 4.863 12.830 1.00 0.00 H new ATOM 0 HA SER A 5 12.095 4.834 15.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.291 6.733 16.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.450 5.453 15.906 1.00 0.00 H new ATOM 0 HG SER A 5 14.036 7.206 13.762 1.00 0.00 H new ATOM 48 N SER A 6 10.547 6.266 14.005 1.00 0.00 N ATOM 49 CA SER A 6 9.604 7.142 13.319 1.00 0.00 C ATOM 50 C SER A 6 10.159 8.558 13.210 1.00 0.00 C ATOM 51 O SER A 6 10.918 9.008 14.067 1.00 0.00 O ATOM 52 CB SER A 6 8.265 7.163 14.059 1.00 0.00 C ATOM 53 OG SER A 6 8.402 7.742 15.345 1.00 0.00 O ATOM 0 H SER A 6 10.112 5.574 14.616 1.00 0.00 H new ATOM 0 HA SER A 6 9.450 6.752 12.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.534 7.727 13.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.882 6.147 14.153 1.00 0.00 H new ATOM 0 HG SER A 6 7.532 7.745 15.797 1.00 0.00 H new ATOM 59 N GLY A 7 9.775 9.257 12.146 1.00 0.00 N ATOM 60 CA GLY A 7 10.244 10.615 11.941 1.00 0.00 C ATOM 61 C GLY A 7 9.109 11.619 11.893 1.00 0.00 C ATOM 62 O GLY A 7 7.991 11.324 12.317 1.00 0.00 O ATOM 0 H GLY A 7 9.147 8.907 11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.930 10.884 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.809 10.665 11.010 1.00 0.00 H new ATOM 66 N SER A 8 9.396 12.810 11.378 1.00 0.00 N ATOM 67 CA SER A 8 8.391 13.863 11.281 1.00 0.00 C ATOM 68 C SER A 8 7.345 13.521 10.225 1.00 0.00 C ATOM 69 O SER A 8 7.618 12.773 9.286 1.00 0.00 O ATOM 70 CB SER A 8 9.055 15.200 10.944 1.00 0.00 C ATOM 71 OG SER A 8 8.218 16.288 11.297 1.00 0.00 O ATOM 0 H SER A 8 10.316 13.070 11.022 1.00 0.00 H new ATOM 0 HA SER A 8 7.892 13.946 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.005 15.281 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.279 15.240 9.878 1.00 0.00 H new ATOM 0 HG SER A 8 8.665 17.131 11.073 1.00 0.00 H new ATOM 77 N GLN A 9 6.147 14.074 10.387 1.00 0.00 N ATOM 78 CA GLN A 9 5.059 13.827 9.448 1.00 0.00 C ATOM 79 C GLN A 9 5.532 14.001 8.009 1.00 0.00 C ATOM 80 O GLN A 9 5.461 13.073 7.204 1.00 0.00 O ATOM 81 CB GLN A 9 3.889 14.770 9.731 1.00 0.00 C ATOM 82 CG GLN A 9 2.893 14.219 10.738 1.00 0.00 C ATOM 83 CD GLN A 9 1.502 14.795 10.558 1.00 0.00 C ATOM 84 OE1 GLN A 9 1.240 15.528 9.604 1.00 0.00 O ATOM 85 NE2 GLN A 9 0.601 14.465 11.476 1.00 0.00 N ATOM 0 H GLN A 9 5.905 14.695 11.159 1.00 0.00 H new ATOM 0 HA GLN A 9 4.726 12.797 9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.279 15.719 10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.369 14.981 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.848 13.134 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.244 14.436 11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.862 13.854 12.250 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.352 14.822 11.407 1.00 0.00 H new ATOM 94 N GLY A 10 6.016 15.199 7.691 1.00 0.00 N ATOM 95 CA GLY A 10 6.493 15.473 6.348 1.00 0.00 C ATOM 96 C GLY A 10 5.374 15.478 5.325 1.00 0.00 C ATOM 97 O GLY A 10 5.046 14.440 4.749 1.00 0.00 O ATOM 0 H GLY A 10 6.086 15.983 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.997 16.439 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.233 14.723 6.069 1.00 0.00 H new ATOM 101 N ASP A 11 4.786 16.647 5.099 1.00 0.00 N ATOM 102 CA ASP A 11 3.697 16.783 4.139 1.00 0.00 C ATOM 103 C ASP A 11 4.118 17.652 2.958 1.00 0.00 C ATOM 104 O ASP A 11 4.595 18.773 3.139 1.00 0.00 O ATOM 105 CB ASP A 11 2.463 17.383 4.816 1.00 0.00 C ATOM 106 CG ASP A 11 2.631 18.858 5.121 1.00 0.00 C ATOM 107 OD1 ASP A 11 3.761 19.271 5.455 1.00 0.00 O ATOM 108 OD2 ASP A 11 1.631 19.601 5.025 1.00 0.00 O ATOM 0 H ASP A 11 5.045 17.515 5.568 1.00 0.00 H new ATOM 0 HA ASP A 11 3.450 15.789 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.595 17.245 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.262 16.844 5.742 1.00 0.00 H new ATOM 113 N CYS A 12 3.940 17.128 1.751 1.00 0.00 N ATOM 114 CA CYS A 12 4.303 17.856 0.540 1.00 0.00 C ATOM 115 C CYS A 12 3.104 17.994 -0.392 1.00 0.00 C ATOM 116 O CYS A 12 2.124 17.258 -0.273 1.00 0.00 O ATOM 117 CB CYS A 12 5.447 17.143 -0.184 1.00 0.00 C ATOM 118 SG CYS A 12 7.094 17.627 0.384 1.00 0.00 S ATOM 0 H CYS A 12 3.547 16.202 1.584 1.00 0.00 H new ATOM 0 HA CYS A 12 4.631 18.854 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.331 16.067 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.369 17.345 -1.252 1.00 0.00 H new ATOM 0 HG CYS A 12 7.994 16.970 -0.285 1.00 0.00 H new ATOM 124 N SER A 13 3.187 18.944 -1.318 1.00 0.00 N ATOM 125 CA SER A 13 2.106 19.183 -2.267 1.00 0.00 C ATOM 126 C SER A 13 1.446 17.872 -2.680 1.00 0.00 C ATOM 127 O SER A 13 0.241 17.687 -2.504 1.00 0.00 O ATOM 128 CB SER A 13 2.637 19.912 -3.503 1.00 0.00 C ATOM 129 OG SER A 13 1.656 19.962 -4.525 1.00 0.00 O ATOM 0 H SER A 13 3.992 19.561 -1.431 1.00 0.00 H new ATOM 0 HA SER A 13 1.358 19.808 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.936 20.924 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.528 19.405 -3.874 1.00 0.00 H new ATOM 0 HG SER A 13 2.019 20.434 -5.304 1.00 0.00 H new ATOM 135 N TYR A 14 2.243 16.963 -3.231 1.00 0.00 N ATOM 136 CA TYR A 14 1.737 15.669 -3.673 1.00 0.00 C ATOM 137 C TYR A 14 1.912 14.616 -2.583 1.00 0.00 C ATOM 138 O TYR A 14 2.740 14.766 -1.685 1.00 0.00 O ATOM 139 CB TYR A 14 2.456 15.225 -4.947 1.00 0.00 C ATOM 140 CG TYR A 14 3.934 15.545 -4.952 1.00 0.00 C ATOM 141 CD1 TYR A 14 4.848 14.709 -4.323 1.00 0.00 C ATOM 142 CD2 TYR A 14 4.416 16.683 -5.586 1.00 0.00 C ATOM 143 CE1 TYR A 14 6.199 14.998 -4.324 1.00 0.00 C ATOM 144 CE2 TYR A 14 5.765 16.980 -5.594 1.00 0.00 C ATOM 145 CZ TYR A 14 6.653 16.135 -4.961 1.00 0.00 C ATOM 146 OH TYR A 14 7.998 16.426 -4.966 1.00 0.00 O ATOM 0 H TYR A 14 3.243 17.099 -3.382 1.00 0.00 H new ATOM 0 HA TYR A 14 0.673 15.775 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.325 14.150 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.986 15.705 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.496 13.818 -3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.724 17.347 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.896 14.338 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.123 17.869 -6.093 1.00 0.00 H new ATOM 0 HH TYR A 14 8.150 17.260 -5.458 1.00 0.00 H new ATOM 156 N SER A 15 1.124 13.548 -2.670 1.00 0.00 N ATOM 157 CA SER A 15 1.188 12.470 -1.690 1.00 0.00 C ATOM 158 C SER A 15 2.307 11.490 -2.033 1.00 0.00 C ATOM 159 O SER A 15 2.158 10.646 -2.917 1.00 0.00 O ATOM 160 CB SER A 15 -0.150 11.731 -1.626 1.00 0.00 C ATOM 161 OG SER A 15 -1.198 12.606 -1.248 1.00 0.00 O ATOM 0 H SER A 15 0.435 13.407 -3.408 1.00 0.00 H new ATOM 0 HA SER A 15 1.399 12.910 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.373 11.290 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.082 10.910 -0.912 1.00 0.00 H new ATOM 0 HG SER A 15 -2.043 12.110 -1.216 1.00 0.00 H new ATOM 167 N ARG A 16 3.426 11.610 -1.327 1.00 0.00 N ATOM 168 CA ARG A 16 4.571 10.737 -1.556 1.00 0.00 C ATOM 169 C ARG A 16 4.997 10.048 -0.263 1.00 0.00 C ATOM 170 O ARG A 16 5.051 8.820 -0.189 1.00 0.00 O ATOM 171 CB ARG A 16 5.742 11.536 -2.130 1.00 0.00 C ATOM 172 CG ARG A 16 6.886 10.668 -2.629 1.00 0.00 C ATOM 173 CD ARG A 16 8.045 11.511 -3.135 1.00 0.00 C ATOM 174 NE ARG A 16 8.984 11.848 -2.068 1.00 0.00 N ATOM 175 CZ ARG A 16 9.929 11.022 -1.633 1.00 0.00 C ATOM 176 NH1 ARG A 16 10.061 9.818 -2.171 1.00 0.00 N ATOM 177 NH2 ARG A 16 10.745 11.401 -0.658 1.00 0.00 N ATOM 0 H ARG A 16 3.564 12.303 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 16 4.275 9.973 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.381 12.154 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.119 12.213 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.231 10.020 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.530 10.019 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.570 10.970 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.659 12.428 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 16 8.910 12.768 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.436 9.523 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.788 9.186 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.647 12.327 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.470 10.766 -0.324 1.00 0.00 H new ATOM 191 N THR A 17 5.299 10.847 0.756 1.00 0.00 N ATOM 192 CA THR A 17 5.722 10.315 2.045 1.00 0.00 C ATOM 193 C THR A 17 4.532 9.791 2.841 1.00 0.00 C ATOM 194 O THR A 17 4.693 9.257 3.937 1.00 0.00 O ATOM 195 CB THR A 17 6.453 11.383 2.881 1.00 0.00 C ATOM 196 OG1 THR A 17 7.118 12.311 2.016 1.00 0.00 O ATOM 197 CG2 THR A 17 7.465 10.739 3.816 1.00 0.00 C ATOM 0 H THR A 17 5.258 11.865 0.713 1.00 0.00 H new ATOM 0 HA THR A 17 6.408 9.493 1.838 1.00 0.00 H new ATOM 0 HB THR A 17 5.713 11.912 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.579 12.988 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.968 11.513 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.952 10.055 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.201 10.187 3.231 1.00 0.00 H new ATOM 205 N ALA A 18 3.337 9.947 2.280 1.00 0.00 N ATOM 206 CA ALA A 18 2.120 9.486 2.937 1.00 0.00 C ATOM 207 C ALA A 18 2.007 7.967 2.882 1.00 0.00 C ATOM 208 O ALA A 18 1.670 7.322 3.876 1.00 0.00 O ATOM 209 CB ALA A 18 0.899 10.131 2.297 1.00 0.00 C ATOM 0 H ALA A 18 3.186 10.389 1.373 1.00 0.00 H new ATOM 0 HA ALA A 18 2.168 9.782 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.003 9.778 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.967 11.215 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.857 9.863 1.241 1.00 0.00 H new ATOM 215 N LEU A 19 2.291 7.399 1.715 1.00 0.00 N ATOM 216 CA LEU A 19 2.221 5.954 1.530 1.00 0.00 C ATOM 217 C LEU A 19 3.048 5.229 2.587 1.00 0.00 C ATOM 218 O LEU A 19 2.897 4.024 2.789 1.00 0.00 O ATOM 219 CB LEU A 19 2.714 5.574 0.133 1.00 0.00 C ATOM 220 CG LEU A 19 2.235 6.466 -1.013 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.477 5.789 -2.354 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.761 6.805 -0.844 1.00 0.00 C ATOM 0 H LEU A 19 2.572 7.917 0.883 1.00 0.00 H new ATOM 0 HA LEU A 19 1.180 5.649 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.804 5.580 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.402 4.551 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 19 2.807 7.394 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.130 6.439 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.543 5.597 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.932 4.846 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.437 7.440 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.174 5.886 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.615 7.331 0.099 1.00 0.00 H new ATOM 234 N TYR A 20 3.920 5.972 3.261 1.00 0.00 N ATOM 235 CA TYR A 20 4.771 5.400 4.298 1.00 0.00 C ATOM 236 C TYR A 20 4.138 5.569 5.676 1.00 0.00 C ATOM 237 O TYR A 20 4.403 4.791 6.592 1.00 0.00 O ATOM 238 CB TYR A 20 6.152 6.058 4.273 1.00 0.00 C ATOM 239 CG TYR A 20 6.832 5.987 2.925 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.388 6.759 1.859 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.921 5.149 2.718 1.00 0.00 C ATOM 242 CE1 TYR A 20 7.006 6.697 0.626 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.547 5.081 1.488 1.00 0.00 C ATOM 244 CZ TYR A 20 8.085 5.857 0.445 1.00 0.00 C ATOM 245 OH TYR A 20 8.705 5.794 -0.782 1.00 0.00 O ATOM 0 H TYR A 20 4.056 6.971 3.108 1.00 0.00 H new ATOM 0 HA TYR A 20 4.880 4.334 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.053 7.103 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.788 5.578 5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.545 7.419 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.284 4.540 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.647 7.303 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.392 4.425 1.344 1.00 0.00 H new ATOM 0 HH TYR A 20 9.447 5.156 -0.741 1.00 0.00 H new ATOM 255 N ASP A 21 3.301 6.591 5.813 1.00 0.00 N ATOM 256 CA ASP A 21 2.628 6.863 7.078 1.00 0.00 C ATOM 257 C ASP A 21 1.409 5.962 7.250 1.00 0.00 C ATOM 258 O ASP A 21 1.017 5.636 8.372 1.00 0.00 O ATOM 259 CB ASP A 21 2.207 8.331 7.151 1.00 0.00 C ATOM 260 CG ASP A 21 3.293 9.217 7.730 1.00 0.00 C ATOM 261 OD1 ASP A 21 4.170 9.659 6.959 1.00 0.00 O ATOM 262 OD2 ASP A 21 3.265 9.468 8.953 1.00 0.00 O ATOM 0 H ASP A 21 3.072 7.245 5.064 1.00 0.00 H new ATOM 0 HA ASP A 21 3.329 6.654 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.950 8.682 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.308 8.418 7.761 1.00 0.00 H new ATOM 267 N LEU A 22 0.812 5.564 6.132 1.00 0.00 N ATOM 268 CA LEU A 22 -0.364 4.701 6.159 1.00 0.00 C ATOM 269 C LEU A 22 -0.020 3.329 6.729 1.00 0.00 C ATOM 270 O LEU A 22 -0.793 2.752 7.496 1.00 0.00 O ATOM 271 CB LEU A 22 -0.942 4.550 4.750 1.00 0.00 C ATOM 272 CG LEU A 22 -1.901 5.652 4.297 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.137 6.776 3.613 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.964 5.085 3.367 1.00 0.00 C ATOM 0 H LEU A 22 1.123 5.825 5.196 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.110 5.165 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.114 4.503 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.465 3.595 4.694 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.397 6.060 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.835 7.551 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.414 7.201 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.614 6.382 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.637 5.883 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.485 4.650 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.532 4.315 3.890 1.00 0.00 H new ATOM 286 N LEU A 23 1.144 2.812 6.352 1.00 0.00 N ATOM 287 CA LEU A 23 1.592 1.508 6.828 1.00 0.00 C ATOM 288 C LEU A 23 2.293 1.632 8.177 1.00 0.00 C ATOM 289 O LEU A 23 2.203 0.739 9.019 1.00 0.00 O ATOM 290 CB LEU A 23 2.535 0.868 5.807 1.00 0.00 C ATOM 291 CG LEU A 23 1.874 0.005 4.732 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.797 0.794 4.003 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.915 -0.513 3.750 1.00 0.00 C ATOM 0 H LEU A 23 1.795 3.276 5.718 1.00 0.00 H new ATOM 0 HA LEU A 23 0.715 0.873 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.096 1.661 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.257 0.254 6.345 1.00 0.00 H new ATOM 0 HG LEU A 23 1.404 -0.850 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.337 0.164 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.037 1.116 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.244 1.668 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.427 -1.125 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.414 0.329 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.651 -1.114 4.284 1.00 0.00 H new ATOM 305 N GLY A 24 2.989 2.747 8.377 1.00 0.00 N ATOM 306 CA GLY A 24 3.693 2.968 9.626 1.00 0.00 C ATOM 307 C GLY A 24 5.153 2.569 9.548 1.00 0.00 C ATOM 308 O GLY A 24 5.687 1.956 10.473 1.00 0.00 O ATOM 0 H GLY A 24 3.078 3.501 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.622 4.021 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.206 2.400 10.419 1.00 0.00 H new ATOM 312 N VAL A 25 5.801 2.914 8.440 1.00 0.00 N ATOM 313 CA VAL A 25 7.208 2.587 8.244 1.00 0.00 C ATOM 314 C VAL A 25 7.974 3.775 7.672 1.00 0.00 C ATOM 315 O VAL A 25 7.442 4.576 6.903 1.00 0.00 O ATOM 316 CB VAL A 25 7.378 1.380 7.302 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.899 0.104 7.978 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.632 1.614 5.997 1.00 0.00 C ATOM 0 H VAL A 25 5.374 3.420 7.664 1.00 0.00 H new ATOM 0 HA VAL A 25 7.613 2.334 9.224 1.00 0.00 H new ATOM 0 HB VAL A 25 8.438 1.266 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.027 -0.738 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.481 -0.069 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.845 0.204 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.763 0.752 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.571 1.754 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.027 2.504 5.507 1.00 0.00 H new ATOM 328 N PRO A 26 9.254 3.894 8.055 1.00 0.00 N ATOM 329 CA PRO A 26 10.121 4.981 7.592 1.00 0.00 C ATOM 330 C PRO A 26 10.473 4.852 6.114 1.00 0.00 C ATOM 331 O PRO A 26 10.404 3.763 5.543 1.00 0.00 O ATOM 332 CB PRO A 26 11.375 4.827 8.456 1.00 0.00 C ATOM 333 CG PRO A 26 11.393 3.389 8.845 1.00 0.00 C ATOM 334 CD PRO A 26 9.953 2.976 8.970 1.00 0.00 C ATOM 0 HA PRO A 26 9.639 5.954 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.273 5.098 7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.334 5.474 9.332 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.908 2.788 8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.923 3.246 9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.807 1.935 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.593 3.078 9.994 1.00 0.00 H new ATOM 342 N SER A 27 10.852 5.968 5.501 1.00 0.00 N ATOM 343 CA SER A 27 11.212 5.980 4.088 1.00 0.00 C ATOM 344 C SER A 27 12.469 5.151 3.840 1.00 0.00 C ATOM 345 O SER A 27 12.874 4.942 2.697 1.00 0.00 O ATOM 346 CB SER A 27 11.431 7.416 3.607 1.00 0.00 C ATOM 347 OG SER A 27 12.659 7.933 4.089 1.00 0.00 O ATOM 0 H SER A 27 10.918 6.876 5.961 1.00 0.00 H new ATOM 0 HA SER A 27 10.390 5.538 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.424 7.443 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.609 8.046 3.947 1.00 0.00 H new ATOM 0 HG SER A 27 12.777 8.851 3.767 1.00 0.00 H new ATOM 353 N THR A 28 13.082 4.682 4.922 1.00 0.00 N ATOM 354 CA THR A 28 14.294 3.877 4.825 1.00 0.00 C ATOM 355 C THR A 28 13.989 2.398 5.033 1.00 0.00 C ATOM 356 O THR A 28 14.872 1.550 4.910 1.00 0.00 O ATOM 357 CB THR A 28 15.349 4.323 5.855 1.00 0.00 C ATOM 358 OG1 THR A 28 14.759 4.400 7.157 1.00 0.00 O ATOM 359 CG2 THR A 28 15.936 5.674 5.477 1.00 0.00 C ATOM 0 H THR A 28 12.759 4.846 5.876 1.00 0.00 H new ATOM 0 HA THR A 28 14.693 4.025 3.821 1.00 0.00 H new ATOM 0 HB THR A 28 16.152 3.586 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.436 4.682 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.678 5.968 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.409 5.604 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.141 6.419 5.443 1.00 0.00 H new ATOM 367 N ALA A 29 12.734 2.095 5.349 1.00 0.00 N ATOM 368 CA ALA A 29 12.313 0.718 5.572 1.00 0.00 C ATOM 369 C ALA A 29 12.633 -0.156 4.364 1.00 0.00 C ATOM 370 O ALA A 29 12.931 0.348 3.280 1.00 0.00 O ATOM 371 CB ALA A 29 10.826 0.665 5.885 1.00 0.00 C ATOM 0 H ALA A 29 11.991 2.786 5.456 1.00 0.00 H new ATOM 0 HA ALA A 29 12.867 0.329 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.525 -0.370 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.622 1.249 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.263 1.078 5.048 1.00 0.00 H new ATOM 377 N THR A 30 12.571 -1.470 4.556 1.00 0.00 N ATOM 378 CA THR A 30 12.855 -2.414 3.483 1.00 0.00 C ATOM 379 C THR A 30 11.599 -3.173 3.071 1.00 0.00 C ATOM 380 O THR A 30 10.537 -3.004 3.670 1.00 0.00 O ATOM 381 CB THR A 30 13.940 -3.426 3.899 1.00 0.00 C ATOM 382 OG1 THR A 30 14.243 -4.297 2.803 1.00 0.00 O ATOM 383 CG2 THR A 30 13.483 -4.248 5.095 1.00 0.00 C ATOM 0 H THR A 30 12.326 -1.905 5.446 1.00 0.00 H new ATOM 0 HA THR A 30 13.217 -1.831 2.636 1.00 0.00 H new ATOM 0 HB THR A 30 14.835 -2.871 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.935 -4.936 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.265 -4.955 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.281 -3.585 5.936 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.575 -4.793 4.836 1.00 0.00 H new ATOM 391 N GLN A 31 11.728 -4.010 2.047 1.00 0.00 N ATOM 392 CA GLN A 31 10.602 -4.795 1.555 1.00 0.00 C ATOM 393 C GLN A 31 9.956 -5.588 2.687 1.00 0.00 C ATOM 394 O GLN A 31 8.733 -5.612 2.821 1.00 0.00 O ATOM 395 CB GLN A 31 11.060 -5.745 0.447 1.00 0.00 C ATOM 396 CG GLN A 31 9.962 -6.669 -0.053 1.00 0.00 C ATOM 397 CD GLN A 31 8.964 -5.960 -0.947 1.00 0.00 C ATOM 398 OE1 GLN A 31 7.824 -5.715 -0.553 1.00 0.00 O ATOM 399 NE2 GLN A 31 9.389 -5.624 -2.160 1.00 0.00 N ATOM 0 H GLN A 31 12.601 -4.162 1.542 1.00 0.00 H new ATOM 0 HA GLN A 31 9.861 -4.106 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.439 -5.158 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.890 -6.347 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.411 -7.497 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.438 -7.099 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.342 -5.846 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.762 -5.144 -2.805 1.00 0.00 H new ATOM 408 N ALA A 32 10.786 -6.235 3.498 1.00 0.00 N ATOM 409 CA ALA A 32 10.296 -7.028 4.619 1.00 0.00 C ATOM 410 C ALA A 32 9.304 -6.233 5.460 1.00 0.00 C ATOM 411 O ALA A 32 8.248 -6.743 5.835 1.00 0.00 O ATOM 412 CB ALA A 32 11.459 -7.502 5.478 1.00 0.00 C ATOM 0 H ALA A 32 11.801 -6.226 3.400 1.00 0.00 H new ATOM 0 HA ALA A 32 9.777 -7.898 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.079 -8.093 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.130 -8.114 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.002 -6.639 5.863 1.00 0.00 H new ATOM 418 N GLN A 33 9.650 -4.985 5.754 1.00 0.00 N ATOM 419 CA GLN A 33 8.789 -4.121 6.553 1.00 0.00 C ATOM 420 C GLN A 33 7.571 -3.675 5.751 1.00 0.00 C ATOM 421 O GLN A 33 6.432 -3.959 6.123 1.00 0.00 O ATOM 422 CB GLN A 33 9.568 -2.899 7.042 1.00 0.00 C ATOM 423 CG GLN A 33 10.730 -3.245 7.960 1.00 0.00 C ATOM 424 CD GLN A 33 10.328 -3.282 9.421 1.00 0.00 C ATOM 425 OE1 GLN A 33 10.630 -4.238 10.136 1.00 0.00 O ATOM 426 NE2 GLN A 33 9.643 -2.238 9.873 1.00 0.00 N ATOM 0 H GLN A 33 10.521 -4.549 5.451 1.00 0.00 H new ATOM 0 HA GLN A 33 8.445 -4.692 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.948 -2.352 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.886 -2.231 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.137 -4.215 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.526 -2.513 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.414 -1.467 9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.345 -2.207 10.848 1.00 0.00 H new ATOM 435 N ILE A 34 7.818 -2.974 4.649 1.00 0.00 N ATOM 436 CA ILE A 34 6.742 -2.489 3.795 1.00 0.00 C ATOM 437 C ILE A 34 5.724 -3.590 3.515 1.00 0.00 C ATOM 438 O ILE A 34 4.564 -3.315 3.206 1.00 0.00 O ATOM 439 CB ILE A 34 7.283 -1.954 2.456 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.168 -0.728 2.692 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.134 -1.613 1.519 1.00 0.00 C ATOM 442 CD1 ILE A 34 9.148 -0.466 1.570 1.00 0.00 C ATOM 0 H ILE A 34 8.755 -2.730 4.327 1.00 0.00 H new ATOM 0 HA ILE A 34 6.256 -1.675 4.332 1.00 0.00 H new ATOM 0 HB ILE A 34 7.888 -2.731 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.533 0.149 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.720 -0.862 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.532 -1.236 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.541 -2.508 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.505 -0.850 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.742 0.417 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.807 -1.326 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.602 -0.300 0.641 1.00 0.00 H new ATOM 454 N LYS A 35 6.164 -4.838 3.628 1.00 0.00 N ATOM 455 CA LYS A 35 5.292 -5.982 3.391 1.00 0.00 C ATOM 456 C LYS A 35 4.566 -6.387 4.670 1.00 0.00 C ATOM 457 O LYS A 35 3.363 -6.645 4.656 1.00 0.00 O ATOM 458 CB LYS A 35 6.103 -7.165 2.856 1.00 0.00 C ATOM 459 CG LYS A 35 5.244 -8.325 2.380 1.00 0.00 C ATOM 460 CD LYS A 35 6.019 -9.632 2.389 1.00 0.00 C ATOM 461 CE LYS A 35 5.517 -10.584 1.315 1.00 0.00 C ATOM 462 NZ LYS A 35 6.235 -10.393 0.024 1.00 0.00 N ATOM 0 H LYS A 35 7.121 -5.083 3.883 1.00 0.00 H new ATOM 0 HA LYS A 35 4.549 -5.693 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.727 -6.823 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.775 -7.518 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.367 -8.416 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.883 -8.122 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.078 -9.429 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.927 -10.104 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.645 -11.612 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.449 -10.429 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.864 -11.060 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.092 -9.419 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.251 -10.566 0.163 1.00 0.00 H new ATOM 476 N ALA A 36 5.305 -6.439 5.773 1.00 0.00 N ATOM 477 CA ALA A 36 4.730 -6.808 7.061 1.00 0.00 C ATOM 478 C ALA A 36 3.723 -5.764 7.533 1.00 0.00 C ATOM 479 O ALA A 36 2.770 -6.083 8.243 1.00 0.00 O ATOM 480 CB ALA A 36 5.829 -6.991 8.097 1.00 0.00 C ATOM 0 H ALA A 36 6.303 -6.230 5.801 1.00 0.00 H new ATOM 0 HA ALA A 36 4.202 -7.753 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.385 -7.266 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.508 -7.779 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.383 -6.059 8.209 1.00 0.00 H new ATOM 486 N ALA A 37 3.943 -4.515 7.134 1.00 0.00 N ATOM 487 CA ALA A 37 3.054 -3.425 7.516 1.00 0.00 C ATOM 488 C ALA A 37 1.699 -3.556 6.830 1.00 0.00 C ATOM 489 O ALA A 37 0.667 -3.673 7.492 1.00 0.00 O ATOM 490 CB ALA A 37 3.690 -2.084 7.180 1.00 0.00 C ATOM 0 H ALA A 37 4.728 -4.234 6.547 1.00 0.00 H new ATOM 0 HA ALA A 37 2.894 -3.480 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.016 -1.278 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.631 -1.982 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.880 -2.030 6.108 1.00 0.00 H new ATOM 496 N TYR A 38 1.708 -3.534 5.502 1.00 0.00 N ATOM 497 CA TYR A 38 0.478 -3.647 4.727 1.00 0.00 C ATOM 498 C TYR A 38 -0.427 -4.735 5.298 1.00 0.00 C ATOM 499 O TYR A 38 -1.652 -4.617 5.270 1.00 0.00 O ATOM 500 CB TYR A 38 0.799 -3.952 3.263 1.00 0.00 C ATOM 501 CG TYR A 38 -0.413 -4.337 2.445 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.411 -3.410 2.167 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.561 -5.627 1.950 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.520 -3.758 1.421 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.666 -5.982 1.202 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.643 -5.044 0.940 1.00 0.00 C ATOM 507 OH TYR A 38 -3.746 -5.395 0.196 1.00 0.00 O ATOM 0 H TYR A 38 2.554 -3.439 4.939 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.048 -2.694 4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.268 -3.077 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.528 -4.762 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.318 -2.401 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.201 -6.364 2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.287 -3.026 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.765 -6.989 0.824 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.677 -6.337 -0.067 1.00 0.00 H new ATOM 517 N TYR A 39 0.186 -5.794 5.815 1.00 0.00 N ATOM 518 CA TYR A 39 -0.563 -6.905 6.391 1.00 0.00 C ATOM 519 C TYR A 39 -0.960 -6.604 7.834 1.00 0.00 C ATOM 520 O TYR A 39 -2.011 -7.040 8.303 1.00 0.00 O ATOM 521 CB TYR A 39 0.266 -8.189 6.336 1.00 0.00 C ATOM 522 CG TYR A 39 0.133 -8.939 5.030 1.00 0.00 C ATOM 523 CD1 TYR A 39 -1.117 -9.276 4.524 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.256 -9.312 4.302 1.00 0.00 C ATOM 525 CE1 TYR A 39 -1.243 -9.962 3.331 1.00 0.00 C ATOM 526 CE2 TYR A 39 1.139 -9.996 3.108 1.00 0.00 C ATOM 527 CZ TYR A 39 -0.112 -10.320 2.627 1.00 0.00 C ATOM 528 OH TYR A 39 -0.233 -11.003 1.438 1.00 0.00 O ATOM 0 H TYR A 39 1.199 -5.907 5.847 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.471 -7.041 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.315 -7.942 6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.037 -8.843 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.005 -8.997 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.238 -9.063 4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.222 -10.216 2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.023 -10.276 2.554 1.00 0.00 H new ATOM 0 HH TYR A 39 0.658 -11.178 1.069 1.00 0.00 H new ATOM 538 N ARG A 40 -0.111 -5.856 8.530 1.00 0.00 N ATOM 539 CA ARG A 40 -0.371 -5.497 9.919 1.00 0.00 C ATOM 540 C ARG A 40 -1.729 -4.816 10.059 1.00 0.00 C ATOM 541 O ARG A 40 -2.475 -5.087 10.999 1.00 0.00 O ATOM 542 CB ARG A 40 0.731 -4.575 10.445 1.00 0.00 C ATOM 543 CG ARG A 40 1.893 -5.317 11.084 1.00 0.00 C ATOM 544 CD ARG A 40 1.481 -5.978 12.390 1.00 0.00 C ATOM 545 NE ARG A 40 1.607 -5.070 13.527 1.00 0.00 N ATOM 546 CZ ARG A 40 0.637 -4.257 13.930 1.00 0.00 C ATOM 547 NH1 ARG A 40 -0.526 -4.240 13.293 1.00 0.00 N ATOM 548 NH2 ARG A 40 0.828 -3.460 14.974 1.00 0.00 N ATOM 0 H ARG A 40 0.763 -5.487 8.155 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.381 -6.413 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.108 -3.967 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.302 -3.891 11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.267 -6.074 10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.712 -4.622 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.449 -6.321 12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.098 -6.860 12.560 1.00 0.00 H new ATOM 0 HE ARG A 40 2.489 -5.060 14.040 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.677 -4.852 12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.269 -3.615 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.720 -3.471 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.082 -2.836 15.282 1.00 0.00 H new ATOM 562 N GLN A 41 -2.042 -3.931 9.118 1.00 0.00 N ATOM 563 CA GLN A 41 -3.309 -3.211 9.138 1.00 0.00 C ATOM 564 C GLN A 41 -4.478 -4.160 8.898 1.00 0.00 C ATOM 565 O GLN A 41 -5.495 -4.095 9.590 1.00 0.00 O ATOM 566 CB GLN A 41 -3.309 -2.106 8.080 1.00 0.00 C ATOM 567 CG GLN A 41 -2.062 -1.236 8.110 1.00 0.00 C ATOM 568 CD GLN A 41 -1.484 -1.091 9.504 1.00 0.00 C ATOM 569 OE1 GLN A 41 -0.350 -1.739 9.745 1.00 0.00 O flip ATOM 570 NE2 GLN A 41 -2.051 -0.405 10.355 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.435 -3.696 8.332 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.426 -2.761 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.402 -2.559 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.186 -1.475 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.308 -1.666 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.303 -0.249 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.921 0.076 10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.651 -0.317 11.289 1.00 0.00 H new ATOM 579 N CYS A 42 -4.327 -5.040 7.915 1.00 0.00 N ATOM 580 CA CYS A 42 -5.372 -6.003 7.583 1.00 0.00 C ATOM 581 C CYS A 42 -6.032 -6.546 8.846 1.00 0.00 C ATOM 582 O CYS A 42 -7.256 -6.651 8.923 1.00 0.00 O ATOM 583 CB CYS A 42 -4.790 -7.154 6.761 1.00 0.00 C ATOM 584 SG CYS A 42 -6.011 -8.386 6.250 1.00 0.00 S ATOM 0 H CYS A 42 -3.492 -5.107 7.334 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.130 -5.490 6.991 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.308 -6.745 5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.014 -7.648 7.346 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.424 -9.318 5.559 1.00 0.00 H new ATOM 590 N PHE A 43 -5.213 -6.891 9.834 1.00 0.00 N ATOM 591 CA PHE A 43 -5.717 -7.426 11.093 1.00 0.00 C ATOM 592 C PHE A 43 -6.459 -6.352 11.882 1.00 0.00 C ATOM 593 O PHE A 43 -7.477 -6.626 12.520 1.00 0.00 O ATOM 594 CB PHE A 43 -4.566 -7.986 11.931 1.00 0.00 C ATOM 595 CG PHE A 43 -4.999 -8.513 13.269 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.406 -7.646 14.271 1.00 0.00 C ATOM 597 CD2 PHE A 43 -4.999 -9.875 13.526 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.806 -8.127 15.504 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.398 -10.362 14.756 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.801 -9.487 15.747 1.00 0.00 C ATOM 0 H PHE A 43 -4.197 -6.810 9.787 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.415 -8.231 10.863 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.078 -8.787 11.375 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.822 -7.203 12.081 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.411 -6.582 14.086 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.684 -10.564 12.756 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.122 -7.441 16.276 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.395 -11.426 14.943 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.111 -9.866 16.710 1.00 0.00 H new ATOM 610 N LEU A 44 -5.943 -5.129 11.836 1.00 0.00 N ATOM 611 CA LEU A 44 -6.556 -4.012 12.546 1.00 0.00 C ATOM 612 C LEU A 44 -7.898 -3.641 11.924 1.00 0.00 C ATOM 613 O LEU A 44 -8.789 -3.130 12.604 1.00 0.00 O ATOM 614 CB LEU A 44 -5.622 -2.800 12.533 1.00 0.00 C ATOM 615 CG LEU A 44 -4.370 -2.908 13.403 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.236 -2.086 12.810 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.669 -2.459 14.826 1.00 0.00 C ATOM 0 H LEU A 44 -5.101 -4.885 11.314 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.728 -4.320 13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.311 -2.618 11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.189 -1.926 12.854 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.059 -3.952 13.431 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.353 -2.175 13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.005 -2.453 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.537 -1.040 12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.766 -2.543 15.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.005 -1.422 14.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.450 -3.090 15.250 1.00 0.00 H new ATOM 629 N TYR A 45 -8.037 -3.904 10.630 1.00 0.00 N ATOM 630 CA TYR A 45 -9.271 -3.598 9.915 1.00 0.00 C ATOM 631 C TYR A 45 -9.672 -4.753 9.003 1.00 0.00 C ATOM 632 O TYR A 45 -9.056 -4.980 7.961 1.00 0.00 O ATOM 633 CB TYR A 45 -9.105 -2.318 9.094 1.00 0.00 C ATOM 634 CG TYR A 45 -8.600 -1.143 9.900 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.242 -0.971 10.137 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.480 -0.204 10.424 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.775 0.101 10.873 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.023 0.871 11.160 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.670 1.019 11.383 1.00 0.00 C ATOM 640 OH TYR A 45 -7.209 2.089 12.116 1.00 0.00 O ATOM 0 H TYR A 45 -7.310 -4.329 10.054 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.061 -3.449 10.651 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.413 -2.510 8.274 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.064 -2.056 8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.539 -1.688 9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.540 -0.317 10.253 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.716 0.220 11.048 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.721 1.592 11.559 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.967 2.641 12.401 1.00 0.00 H new ATOM 650 N HIS A 46 -10.712 -5.479 9.401 1.00 0.00 N ATOM 651 CA HIS A 46 -11.198 -6.611 8.620 1.00 0.00 C ATOM 652 C HIS A 46 -12.563 -6.303 8.010 1.00 0.00 C ATOM 653 O HIS A 46 -13.277 -5.401 8.449 1.00 0.00 O ATOM 654 CB HIS A 46 -11.288 -7.861 9.494 1.00 0.00 C ATOM 655 CG HIS A 46 -10.023 -8.663 9.524 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.483 -9.259 8.404 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.190 -8.965 10.547 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.374 -9.894 8.737 1.00 0.00 C ATOM 659 NE2 HIS A 46 -8.173 -9.731 10.032 1.00 0.00 N ATOM 0 H HIS A 46 -11.234 -5.304 10.259 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.490 -6.793 7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.545 -7.565 10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.100 -8.491 9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.304 -8.660 11.577 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.739 -10.452 8.064 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.390 -10.112 10.563 1.00 0.00 H new ATOM 667 N PRO A 47 -12.935 -7.069 6.974 1.00 0.00 N ATOM 668 CA PRO A 47 -14.216 -6.897 6.283 1.00 0.00 C ATOM 669 C PRO A 47 -15.402 -7.316 7.145 1.00 0.00 C ATOM 670 O PRO A 47 -16.530 -6.877 6.922 1.00 0.00 O ATOM 671 CB PRO A 47 -14.089 -7.816 5.065 1.00 0.00 C ATOM 672 CG PRO A 47 -13.101 -8.853 5.476 1.00 0.00 C ATOM 673 CD PRO A 47 -12.135 -8.163 6.398 1.00 0.00 C ATOM 0 HA PRO A 47 -14.404 -5.854 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.048 -8.264 4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.745 -7.267 4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.595 -9.684 5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.585 -9.266 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.763 -8.838 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.266 -7.785 5.860 1.00 0.00 H new ATOM 681 N ASP A 48 -15.139 -8.168 8.130 1.00 0.00 N ATOM 682 CA ASP A 48 -16.184 -8.645 9.028 1.00 0.00 C ATOM 683 C ASP A 48 -16.214 -7.824 10.313 1.00 0.00 C ATOM 684 O ASP A 48 -17.270 -7.355 10.737 1.00 0.00 O ATOM 685 CB ASP A 48 -15.968 -10.123 9.356 1.00 0.00 C ATOM 686 CG ASP A 48 -14.615 -10.383 9.989 1.00 0.00 C ATOM 687 OD1 ASP A 48 -13.606 -10.378 9.255 1.00 0.00 O ATOM 688 OD2 ASP A 48 -14.566 -10.594 11.220 1.00 0.00 O ATOM 0 H ASP A 48 -14.211 -8.542 8.327 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.143 -8.529 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.753 -10.461 10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.058 -10.712 8.443 1.00 0.00 H new ATOM 693 N ARG A 49 -15.048 -7.656 10.929 1.00 0.00 N ATOM 694 CA ARG A 49 -14.941 -6.894 12.167 1.00 0.00 C ATOM 695 C ARG A 49 -15.736 -5.595 12.076 1.00 0.00 C ATOM 696 O ARG A 49 -16.491 -5.253 12.986 1.00 0.00 O ATOM 697 CB ARG A 49 -13.475 -6.587 12.476 1.00 0.00 C ATOM 698 CG ARG A 49 -12.793 -7.654 13.317 1.00 0.00 C ATOM 699 CD ARG A 49 -13.000 -7.408 14.804 1.00 0.00 C ATOM 700 NE ARG A 49 -12.192 -8.306 15.624 1.00 0.00 N ATOM 701 CZ ARG A 49 -12.252 -8.343 16.951 1.00 0.00 C ATOM 702 NH1 ARG A 49 -13.079 -7.537 17.603 1.00 0.00 N ATOM 703 NH2 ARG A 49 -11.485 -9.188 17.628 1.00 0.00 N ATOM 0 H ARG A 49 -14.165 -8.037 10.591 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.356 -7.498 12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.931 -6.473 11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.415 -5.632 12.998 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.187 -8.635 13.051 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.726 -7.668 13.094 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.746 -6.375 15.039 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.053 -7.541 15.050 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.546 -8.939 15.153 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.671 -6.887 17.086 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.123 -7.567 18.622 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.848 -9.810 17.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.532 -9.215 18.647 1.00 0.00 H new ATOM 717 N ASN A 50 -15.560 -4.875 10.973 1.00 0.00 N ATOM 718 CA ASN A 50 -16.260 -3.613 10.764 1.00 0.00 C ATOM 719 C ASN A 50 -17.721 -3.855 10.398 1.00 0.00 C ATOM 720 O ASN A 50 -18.568 -2.979 10.568 1.00 0.00 O ATOM 721 CB ASN A 50 -15.575 -2.802 9.662 1.00 0.00 C ATOM 722 CG ASN A 50 -14.271 -2.181 10.127 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.231 -1.014 10.516 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.198 -2.962 10.088 1.00 0.00 N ATOM 0 H ASN A 50 -14.939 -5.144 10.210 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.226 -3.049 11.696 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.382 -3.448 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.248 -2.015 9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.293 -2.600 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.279 -3.924 9.758 1.00 0.00 H new ATOM 731 N SER A 51 -18.009 -5.052 9.895 1.00 0.00 N ATOM 732 CA SER A 51 -19.367 -5.409 9.502 1.00 0.00 C ATOM 733 C SER A 51 -20.106 -4.199 8.940 1.00 0.00 C ATOM 734 O SER A 51 -21.223 -3.892 9.354 1.00 0.00 O ATOM 735 CB SER A 51 -20.133 -5.979 10.698 1.00 0.00 C ATOM 736 OG SER A 51 -19.849 -7.355 10.877 1.00 0.00 O ATOM 0 H SER A 51 -17.320 -5.790 9.750 1.00 0.00 H new ATOM 0 HA SER A 51 -19.306 -6.169 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.866 -5.429 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.204 -5.842 10.547 1.00 0.00 H new ATOM 0 HG SER A 51 -18.924 -7.536 10.609 1.00 0.00 H new ATOM 742 N GLY A 52 -19.473 -3.514 7.992 1.00 0.00 N ATOM 743 CA GLY A 52 -20.084 -2.345 7.387 1.00 0.00 C ATOM 744 C GLY A 52 -19.700 -1.060 8.093 1.00 0.00 C ATOM 745 O GLY A 52 -20.223 -0.752 9.164 1.00 0.00 O ATOM 0 H GLY A 52 -18.548 -3.748 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -19.786 -2.284 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.168 -2.455 7.404 1.00 0.00 H new ATOM 749 N SER A 53 -18.783 -0.308 7.493 1.00 0.00 N ATOM 750 CA SER A 53 -18.325 0.949 8.074 1.00 0.00 C ATOM 751 C SER A 53 -17.917 1.935 6.984 1.00 0.00 C ATOM 752 O SER A 53 -17.427 1.539 5.926 1.00 0.00 O ATOM 753 CB SER A 53 -17.148 0.699 9.019 1.00 0.00 C ATOM 754 OG SER A 53 -16.866 1.850 9.796 1.00 0.00 O ATOM 0 H SER A 53 -18.342 -0.547 6.605 1.00 0.00 H new ATOM 0 HA SER A 53 -19.150 1.382 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 53 -17.377 -0.140 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.266 0.421 8.442 1.00 0.00 H new ATOM 0 HG SER A 53 -16.111 1.665 10.393 1.00 0.00 H new ATOM 760 N ALA A 54 -18.124 3.220 7.250 1.00 0.00 N ATOM 761 CA ALA A 54 -17.776 4.264 6.293 1.00 0.00 C ATOM 762 C ALA A 54 -16.332 4.717 6.476 1.00 0.00 C ATOM 763 O ALA A 54 -15.606 4.913 5.502 1.00 0.00 O ATOM 764 CB ALA A 54 -18.724 5.445 6.434 1.00 0.00 C ATOM 0 H ALA A 54 -18.531 3.564 8.120 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.875 3.851 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.453 6.217 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.746 5.116 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.653 5.850 7.444 1.00 0.00 H new ATOM 770 N GLU A 55 -15.922 4.882 7.730 1.00 0.00 N ATOM 771 CA GLU A 55 -14.564 5.314 8.039 1.00 0.00 C ATOM 772 C GLU A 55 -13.542 4.306 7.521 1.00 0.00 C ATOM 773 O GLU A 55 -12.538 4.681 6.914 1.00 0.00 O ATOM 774 CB GLU A 55 -14.395 5.498 9.548 1.00 0.00 C ATOM 775 CG GLU A 55 -15.015 6.780 10.078 1.00 0.00 C ATOM 776 CD GLU A 55 -15.113 6.799 11.591 1.00 0.00 C ATOM 777 OE1 GLU A 55 -14.056 6.865 12.254 1.00 0.00 O ATOM 778 OE2 GLU A 55 -16.246 6.747 12.113 1.00 0.00 O ATOM 0 H GLU A 55 -16.511 4.723 8.548 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.392 6.269 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.844 4.648 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.332 5.491 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.421 7.631 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.011 6.901 9.652 1.00 0.00 H new ATOM 785 N ALA A 56 -13.805 3.027 7.764 1.00 0.00 N ATOM 786 CA ALA A 56 -12.909 1.965 7.322 1.00 0.00 C ATOM 787 C ALA A 56 -12.873 1.876 5.800 1.00 0.00 C ATOM 788 O ALA A 56 -11.801 1.834 5.196 1.00 0.00 O ATOM 789 CB ALA A 56 -13.334 0.632 7.920 1.00 0.00 C ATOM 0 H ALA A 56 -14.631 2.700 8.265 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.904 2.203 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.656 -0.151 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.302 0.694 9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.349 0.397 7.600 1.00 0.00 H new ATOM 795 N ALA A 57 -14.051 1.848 5.185 1.00 0.00 N ATOM 796 CA ALA A 57 -14.154 1.766 3.733 1.00 0.00 C ATOM 797 C ALA A 57 -13.085 2.619 3.059 1.00 0.00 C ATOM 798 O ALA A 57 -12.176 2.095 2.415 1.00 0.00 O ATOM 799 CB ALA A 57 -15.540 2.195 3.277 1.00 0.00 C ATOM 0 H ALA A 57 -14.948 1.881 5.670 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.993 0.729 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.602 2.129 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.289 1.541 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.724 3.223 3.589 1.00 0.00 H new ATOM 805 N GLU A 58 -13.200 3.934 3.210 1.00 0.00 N ATOM 806 CA GLU A 58 -12.244 4.858 2.613 1.00 0.00 C ATOM 807 C GLU A 58 -10.811 4.414 2.892 1.00 0.00 C ATOM 808 O GLU A 58 -10.065 4.074 1.974 1.00 0.00 O ATOM 809 CB GLU A 58 -12.464 6.274 3.151 1.00 0.00 C ATOM 810 CG GLU A 58 -13.840 6.837 2.836 1.00 0.00 C ATOM 811 CD GLU A 58 -14.230 6.647 1.383 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.462 7.083 0.500 1.00 0.00 O ATOM 813 OE2 GLU A 58 -15.303 6.062 1.129 1.00 0.00 O ATOM 0 H GLU A 58 -13.946 4.384 3.741 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.403 4.858 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.321 6.269 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.705 6.935 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.581 6.354 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.857 7.900 3.077 1.00 0.00 H new ATOM 820 N ARG A 59 -10.433 4.421 4.166 1.00 0.00 N ATOM 821 CA ARG A 59 -9.090 4.020 4.567 1.00 0.00 C ATOM 822 C ARG A 59 -8.626 2.803 3.773 1.00 0.00 C ATOM 823 O ARG A 59 -7.629 2.862 3.053 1.00 0.00 O ATOM 824 CB ARG A 59 -9.053 3.710 6.065 1.00 0.00 C ATOM 825 CG ARG A 59 -7.647 3.659 6.641 1.00 0.00 C ATOM 826 CD ARG A 59 -7.664 3.753 8.159 1.00 0.00 C ATOM 827 NE ARG A 59 -6.317 3.756 8.722 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.541 4.833 8.765 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.976 5.988 8.281 1.00 0.00 N ATOM 830 NH2 ARG A 59 -4.326 4.757 9.294 1.00 0.00 N ATOM 0 H ARG A 59 -11.038 4.700 4.938 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.413 4.848 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.628 4.467 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.544 2.753 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.162 2.731 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.055 4.477 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.185 4.662 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.226 2.913 8.568 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.952 2.883 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.909 6.051 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.378 6.813 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.987 3.871 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.731 5.585 9.326 1.00 0.00 H new ATOM 844 N PHE A 60 -9.355 1.700 3.910 1.00 0.00 N ATOM 845 CA PHE A 60 -9.017 0.468 3.206 1.00 0.00 C ATOM 846 C PHE A 60 -8.524 0.766 1.793 1.00 0.00 C ATOM 847 O PHE A 60 -7.467 0.290 1.378 1.00 0.00 O ATOM 848 CB PHE A 60 -10.231 -0.461 3.150 1.00 0.00 C ATOM 849 CG PHE A 60 -9.870 -1.918 3.112 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.031 -2.462 4.071 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.369 -2.743 2.117 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.697 -3.803 4.039 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.038 -4.085 2.080 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.200 -4.615 3.042 1.00 0.00 C ATOM 0 H PHE A 60 -10.183 1.634 4.502 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.215 -0.026 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.862 -0.274 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.823 -0.219 2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.633 -1.831 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.024 -2.333 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.043 -4.215 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.434 -4.718 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.939 -5.663 3.014 1.00 0.00 H new ATOM 864 N THR A 61 -9.298 1.558 1.057 1.00 0.00 N ATOM 865 CA THR A 61 -8.943 1.919 -0.309 1.00 0.00 C ATOM 866 C THR A 61 -7.536 2.504 -0.375 1.00 0.00 C ATOM 867 O THR A 61 -6.707 2.063 -1.171 1.00 0.00 O ATOM 868 CB THR A 61 -9.938 2.937 -0.898 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.260 2.386 -0.897 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.544 3.320 -2.317 1.00 0.00 C ATOM 0 H THR A 61 -10.175 1.962 1.385 1.00 0.00 H new ATOM 0 HA THR A 61 -8.981 1.003 -0.898 1.00 0.00 H new ATOM 0 HB THR A 61 -9.917 3.833 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.887 3.040 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.261 4.040 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.549 3.765 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.539 2.430 -2.946 1.00 0.00 H new ATOM 878 N ARG A 62 -7.274 3.499 0.466 1.00 0.00 N ATOM 879 CA ARG A 62 -5.967 4.144 0.502 1.00 0.00 C ATOM 880 C ARG A 62 -4.879 3.147 0.891 1.00 0.00 C ATOM 881 O ARG A 62 -3.854 3.038 0.218 1.00 0.00 O ATOM 882 CB ARG A 62 -5.979 5.313 1.489 1.00 0.00 C ATOM 883 CG ARG A 62 -6.453 6.621 0.878 1.00 0.00 C ATOM 884 CD ARG A 62 -6.170 7.800 1.796 1.00 0.00 C ATOM 885 NE ARG A 62 -6.769 9.036 1.300 1.00 0.00 N ATOM 886 CZ ARG A 62 -6.985 10.105 2.059 1.00 0.00 C ATOM 887 NH1 ARG A 62 -6.652 10.088 3.343 1.00 0.00 N ATOM 888 NH2 ARG A 62 -7.534 11.193 1.535 1.00 0.00 N ATOM 0 H ARG A 62 -7.949 3.876 1.131 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.749 4.522 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.624 5.060 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.974 5.451 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.957 6.777 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.523 6.563 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.556 7.584 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.093 7.933 1.894 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.036 9.081 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.229 9.253 3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.819 10.910 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.791 11.210 0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.699 12.013 2.119 1.00 0.00 H new ATOM 902 N ILE A 63 -5.109 2.423 1.982 1.00 0.00 N ATOM 903 CA ILE A 63 -4.149 1.436 2.459 1.00 0.00 C ATOM 904 C ILE A 63 -3.598 0.604 1.307 1.00 0.00 C ATOM 905 O ILE A 63 -2.384 0.484 1.139 1.00 0.00 O ATOM 906 CB ILE A 63 -4.781 0.495 3.501 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.207 1.283 4.742 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.805 -0.610 3.878 1.00 0.00 C ATOM 909 CD1 ILE A 63 -6.085 0.494 5.687 1.00 0.00 C ATOM 0 H ILE A 63 -5.952 2.502 2.551 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.334 1.988 2.927 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.668 0.037 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.316 1.613 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.740 2.180 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.266 -1.267 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.547 -1.186 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.902 -0.169 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.348 1.115 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.993 0.187 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.547 -0.389 6.031 1.00 0.00 H new ATOM 921 N SER A 64 -4.498 0.031 0.513 1.00 0.00 N ATOM 922 CA SER A 64 -4.101 -0.792 -0.623 1.00 0.00 C ATOM 923 C SER A 64 -3.128 -0.040 -1.525 1.00 0.00 C ATOM 924 O SER A 64 -2.123 -0.594 -1.969 1.00 0.00 O ATOM 925 CB SER A 64 -5.332 -1.218 -1.425 1.00 0.00 C ATOM 926 OG SER A 64 -4.999 -1.462 -2.780 1.00 0.00 O ATOM 0 H SER A 64 -5.506 0.122 0.636 1.00 0.00 H new ATOM 0 HA SER A 64 -3.600 -1.681 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.763 -2.118 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.093 -0.440 -1.369 1.00 0.00 H new ATOM 0 HG SER A 64 -5.803 -1.734 -3.270 1.00 0.00 H new ATOM 932 N GLN A 65 -3.435 1.226 -1.792 1.00 0.00 N ATOM 933 CA GLN A 65 -2.588 2.054 -2.642 1.00 0.00 C ATOM 934 C GLN A 65 -1.137 2.007 -2.175 1.00 0.00 C ATOM 935 O GLN A 65 -0.226 1.781 -2.971 1.00 0.00 O ATOM 936 CB GLN A 65 -3.089 3.499 -2.643 1.00 0.00 C ATOM 937 CG GLN A 65 -4.534 3.642 -3.093 1.00 0.00 C ATOM 938 CD GLN A 65 -4.807 4.972 -3.767 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.892 5.762 -4.002 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.071 5.227 -4.084 1.00 0.00 N ATOM 0 H GLN A 65 -4.263 1.700 -1.432 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.637 1.659 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.988 3.911 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.453 4.095 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.778 2.833 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.191 3.535 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.798 4.544 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.315 6.106 -4.541 1.00 0.00 H new ATOM 949 N ALA A 66 -0.929 2.222 -0.880 1.00 0.00 N ATOM 950 CA ALA A 66 0.411 2.203 -0.308 1.00 0.00 C ATOM 951 C ALA A 66 1.144 0.915 -0.670 1.00 0.00 C ATOM 952 O ALA A 66 2.363 0.911 -0.839 1.00 0.00 O ATOM 953 CB ALA A 66 0.342 2.366 1.203 1.00 0.00 C ATOM 0 H ALA A 66 -1.672 2.411 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 66 0.970 3.039 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.350 2.350 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.135 3.316 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.239 1.549 1.631 1.00 0.00 H new ATOM 959 N TYR A 67 0.393 -0.174 -0.786 1.00 0.00 N ATOM 960 CA TYR A 67 0.972 -1.469 -1.125 1.00 0.00 C ATOM 961 C TYR A 67 1.104 -1.628 -2.637 1.00 0.00 C ATOM 962 O TYR A 67 1.224 -2.741 -3.147 1.00 0.00 O ATOM 963 CB TYR A 67 0.115 -2.600 -0.555 1.00 0.00 C ATOM 964 CG TYR A 67 0.842 -3.922 -0.459 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.115 -3.998 0.093 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.257 -5.094 -0.921 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.783 -5.204 0.182 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.917 -6.304 -0.835 1.00 0.00 C ATOM 969 CZ TYR A 67 2.180 -6.354 -0.283 1.00 0.00 C ATOM 970 OH TYR A 67 2.842 -7.558 -0.197 1.00 0.00 O ATOM 0 H TYR A 67 -0.618 -0.186 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 67 1.968 -1.519 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.235 -2.315 0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.769 -2.726 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.590 -3.100 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.731 -5.058 -1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.772 -5.246 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.447 -7.206 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 67 2.278 -8.269 -0.568 1.00 0.00 H new ATOM 980 N VAL A 68 1.081 -0.505 -3.347 1.00 0.00 N ATOM 981 CA VAL A 68 1.200 -0.517 -4.801 1.00 0.00 C ATOM 982 C VAL A 68 2.445 0.234 -5.257 1.00 0.00 C ATOM 983 O VAL A 68 3.375 -0.358 -5.805 1.00 0.00 O ATOM 984 CB VAL A 68 -0.038 0.108 -5.470 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.161 0.207 -6.975 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.286 -0.697 -5.141 1.00 0.00 C ATOM 0 H VAL A 68 0.981 0.425 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 68 1.279 -1.561 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.171 1.116 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.724 0.651 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.030 0.830 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.320 -0.789 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.151 -0.240 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.166 -1.718 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.436 -0.710 -4.062 1.00 0.00 H new ATOM 996 N VAL A 69 2.458 1.543 -5.026 1.00 0.00 N ATOM 997 CA VAL A 69 3.590 2.377 -5.412 1.00 0.00 C ATOM 998 C VAL A 69 4.876 1.900 -4.747 1.00 0.00 C ATOM 999 O VAL A 69 5.952 1.951 -5.343 1.00 0.00 O ATOM 1000 CB VAL A 69 3.351 3.853 -5.043 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.514 4.715 -5.510 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.040 4.345 -5.636 1.00 0.00 C ATOM 0 H VAL A 69 1.697 2.049 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 69 3.691 2.292 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 69 3.284 3.932 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.328 5.755 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.433 4.376 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.616 4.633 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.888 5.390 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.074 4.253 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.217 3.745 -5.247 1.00 0.00 H new ATOM 1012 N LEU A 70 4.757 1.434 -3.508 1.00 0.00 N ATOM 1013 CA LEU A 70 5.910 0.946 -2.760 1.00 0.00 C ATOM 1014 C LEU A 70 6.040 -0.569 -2.887 1.00 0.00 C ATOM 1015 O LEU A 70 7.126 -1.124 -2.730 1.00 0.00 O ATOM 1016 CB LEU A 70 5.791 1.338 -1.287 1.00 0.00 C ATOM 1017 CG LEU A 70 5.367 2.781 -1.008 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.915 2.935 0.436 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.506 3.741 -1.318 1.00 0.00 C ATOM 0 H LEU A 70 3.874 1.384 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 70 6.805 1.405 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.072 0.671 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.754 1.164 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 70 4.526 3.025 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.617 3.968 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.068 2.275 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.735 2.672 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.186 4.763 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.366 3.498 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.782 3.650 -2.368 1.00 0.00 H new ATOM 1031 N GLY A 71 4.923 -1.231 -3.173 1.00 0.00 N ATOM 1032 CA GLY A 71 4.933 -2.675 -3.318 1.00 0.00 C ATOM 1033 C GLY A 71 6.072 -3.162 -4.191 1.00 0.00 C ATOM 1034 O GLY A 71 6.509 -4.307 -4.072 1.00 0.00 O ATOM 0 H GLY A 71 4.012 -0.793 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.012 -3.135 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.985 -3.001 -3.747 1.00 0.00 H new ATOM 1038 N SER A 72 6.554 -2.292 -5.073 1.00 0.00 N ATOM 1039 CA SER A 72 7.645 -2.641 -5.974 1.00 0.00 C ATOM 1040 C SER A 72 8.703 -1.542 -5.999 1.00 0.00 C ATOM 1041 O SER A 72 8.383 -0.360 -6.127 1.00 0.00 O ATOM 1042 CB SER A 72 7.111 -2.882 -7.387 1.00 0.00 C ATOM 1043 OG SER A 72 6.321 -4.058 -7.441 1.00 0.00 O ATOM 0 H SER A 72 6.205 -1.340 -5.182 1.00 0.00 H new ATOM 0 HA SER A 72 8.107 -3.557 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.516 -2.026 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.944 -2.968 -8.084 1.00 0.00 H new ATOM 0 HG SER A 72 5.991 -4.188 -8.354 1.00 0.00 H new ATOM 1049 N ALA A 73 9.965 -1.940 -5.874 1.00 0.00 N ATOM 1050 CA ALA A 73 11.070 -0.990 -5.884 1.00 0.00 C ATOM 1051 C ALA A 73 11.007 -0.087 -7.111 1.00 0.00 C ATOM 1052 O ALA A 73 10.868 1.131 -6.993 1.00 0.00 O ATOM 1053 CB ALA A 73 12.400 -1.728 -5.837 1.00 0.00 C ATOM 0 H ALA A 73 10.247 -2.914 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 73 10.984 -0.361 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.217 -1.006 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.453 -2.326 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.484 -2.381 -6.705 1.00 0.00 H new ATOM 1059 N THR A 74 11.111 -0.691 -8.291 1.00 0.00 N ATOM 1060 CA THR A 74 11.067 0.059 -9.540 1.00 0.00 C ATOM 1061 C THR A 74 10.125 1.252 -9.432 1.00 0.00 C ATOM 1062 O THR A 74 10.518 2.392 -9.686 1.00 0.00 O ATOM 1063 CB THR A 74 10.619 -0.831 -10.714 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.562 -1.890 -10.915 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.485 -0.015 -11.991 1.00 0.00 C ATOM 0 H THR A 74 11.226 -1.698 -8.408 1.00 0.00 H new ATOM 0 HA THR A 74 12.079 0.416 -9.730 1.00 0.00 H new ATOM 0 HB THR A 74 9.645 -1.255 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.268 -2.452 -11.662 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.168 -0.665 -12.806 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.744 0.771 -11.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.447 0.434 -12.238 1.00 0.00 H new ATOM 1073 N LEU A 75 8.880 0.984 -9.055 1.00 0.00 N ATOM 1074 CA LEU A 75 7.880 2.037 -8.912 1.00 0.00 C ATOM 1075 C LEU A 75 8.432 3.206 -8.102 1.00 0.00 C ATOM 1076 O LEU A 75 8.573 4.317 -8.614 1.00 0.00 O ATOM 1077 CB LEU A 75 6.622 1.486 -8.241 1.00 0.00 C ATOM 1078 CG LEU A 75 5.981 0.270 -8.911 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.820 -0.250 -8.077 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.516 0.620 -10.317 1.00 0.00 C ATOM 0 H LEU A 75 8.538 0.047 -8.843 1.00 0.00 H new ATOM 0 HA LEU A 75 7.624 2.398 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.869 1.221 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.880 2.283 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 75 6.730 -0.518 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.377 -1.115 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.182 -0.540 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.068 0.532 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.062 -0.257 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.782 1.425 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.370 0.943 -10.913 1.00 0.00 H new ATOM 1092 N ARG A 76 8.744 2.947 -6.837 1.00 0.00 N ATOM 1093 CA ARG A 76 9.282 3.978 -5.956 1.00 0.00 C ATOM 1094 C ARG A 76 10.175 4.943 -6.731 1.00 0.00 C ATOM 1095 O ARG A 76 10.010 6.160 -6.647 1.00 0.00 O ATOM 1096 CB ARG A 76 10.073 3.340 -4.813 1.00 0.00 C ATOM 1097 CG ARG A 76 9.247 2.399 -3.951 1.00 0.00 C ATOM 1098 CD ARG A 76 9.754 2.367 -2.518 1.00 0.00 C ATOM 1099 NE ARG A 76 9.465 1.094 -1.864 1.00 0.00 N ATOM 1100 CZ ARG A 76 10.227 0.013 -1.990 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.319 0.052 -2.742 1.00 0.00 N ATOM 1102 NH2 ARG A 76 9.899 -1.109 -1.363 1.00 0.00 N ATOM 0 H ARG A 76 8.634 2.033 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 76 8.445 4.539 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.917 2.791 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.485 4.128 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.204 2.715 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.280 1.394 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.830 2.543 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.294 3.178 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 76 8.632 1.031 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.575 0.913 -3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.903 -0.779 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.061 -1.143 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.485 -1.938 -1.461 1.00 0.00 H new ATOM 1116 N ARG A 77 11.122 4.391 -7.483 1.00 0.00 N ATOM 1117 CA ARG A 77 12.042 5.202 -8.270 1.00 0.00 C ATOM 1118 C ARG A 77 11.290 6.005 -9.328 1.00 0.00 C ATOM 1119 O ARG A 77 11.461 7.219 -9.440 1.00 0.00 O ATOM 1120 CB ARG A 77 13.093 4.315 -8.940 1.00 0.00 C ATOM 1121 CG ARG A 77 13.888 3.468 -7.960 1.00 0.00 C ATOM 1122 CD ARG A 77 14.418 2.204 -8.618 1.00 0.00 C ATOM 1123 NE ARG A 77 15.718 2.418 -9.248 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.415 1.455 -9.841 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.938 0.219 -9.887 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.591 1.728 -10.392 1.00 0.00 N ATOM 0 H ARG A 77 11.272 3.385 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 77 12.541 5.898 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.599 3.659 -9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.781 4.944 -9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.721 4.051 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.256 3.201 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.503 1.415 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.705 1.859 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 77 16.112 3.358 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.034 0.005 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.475 -0.518 -10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.961 2.678 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.125 0.988 -10.847 1.00 0.00 H new ATOM 1140 N LYS A 78 10.458 5.318 -10.104 1.00 0.00 N ATOM 1141 CA LYS A 78 9.679 5.966 -11.152 1.00 0.00 C ATOM 1142 C LYS A 78 9.097 7.287 -10.661 1.00 0.00 C ATOM 1143 O LYS A 78 9.255 8.324 -11.306 1.00 0.00 O ATOM 1144 CB LYS A 78 8.551 5.043 -11.622 1.00 0.00 C ATOM 1145 CG LYS A 78 9.045 3.762 -12.271 1.00 0.00 C ATOM 1146 CD LYS A 78 7.896 2.948 -12.842 1.00 0.00 C ATOM 1147 CE LYS A 78 7.529 3.407 -14.245 1.00 0.00 C ATOM 1148 NZ LYS A 78 6.161 2.966 -14.633 1.00 0.00 N ATOM 0 H LYS A 78 10.306 4.312 -10.027 1.00 0.00 H new ATOM 0 HA LYS A 78 10.345 6.172 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.921 4.789 -10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.924 5.582 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.751 4.004 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.585 3.165 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.172 1.894 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.027 3.037 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.589 4.494 -14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.253 3.012 -14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.981 3.225 -15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.085 1.934 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.460 3.431 -14.021 1.00 0.00 H new ATOM 1162 N TYR A 79 8.425 7.243 -9.516 1.00 0.00 N ATOM 1163 CA TYR A 79 7.819 8.437 -8.939 1.00 0.00 C ATOM 1164 C TYR A 79 8.868 9.520 -8.701 1.00 0.00 C ATOM 1165 O TYR A 79 8.643 10.693 -8.997 1.00 0.00 O ATOM 1166 CB TYR A 79 7.118 8.094 -7.623 1.00 0.00 C ATOM 1167 CG TYR A 79 6.048 9.087 -7.230 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.941 9.303 -8.042 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.145 9.811 -6.048 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.962 10.211 -7.687 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.169 10.719 -5.685 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.080 10.916 -6.507 1.00 0.00 C ATOM 1173 OH TYR A 79 3.107 11.820 -6.150 1.00 0.00 O ATOM 0 H TYR A 79 8.286 6.393 -8.969 1.00 0.00 H new ATOM 0 HA TYR A 79 7.083 8.818 -9.647 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.670 7.104 -7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.862 8.041 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.844 8.752 -8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.998 9.661 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.109 10.368 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.259 11.272 -4.762 1.00 0.00 H new ATOM 0 HH TYR A 79 3.341 12.230 -5.291 1.00 0.00 H new ATOM 1183 N ASP A 80 10.015 9.116 -8.166 1.00 0.00 N ATOM 1184 CA ASP A 80 11.100 10.050 -7.890 1.00 0.00 C ATOM 1185 C ASP A 80 11.624 10.671 -9.181 1.00 0.00 C ATOM 1186 O ASP A 80 12.208 11.755 -9.167 1.00 0.00 O ATOM 1187 CB ASP A 80 12.237 9.340 -7.152 1.00 0.00 C ATOM 1188 CG ASP A 80 13.030 10.282 -6.268 1.00 0.00 C ATOM 1189 OD1 ASP A 80 13.740 11.152 -6.815 1.00 0.00 O ATOM 1190 OD2 ASP A 80 12.941 10.150 -5.030 1.00 0.00 O ATOM 0 H ASP A 80 10.217 8.148 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 80 10.709 10.847 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.825 8.536 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.906 8.879 -7.879 1.00 0.00 H new ATOM 1195 N ARG A 81 11.413 9.976 -10.294 1.00 0.00 N ATOM 1196 CA ARG A 81 11.866 10.459 -11.593 1.00 0.00 C ATOM 1197 C ARG A 81 10.702 11.030 -12.397 1.00 0.00 C ATOM 1198 O ARG A 81 10.867 11.428 -13.549 1.00 0.00 O ATOM 1199 CB ARG A 81 12.534 9.327 -12.376 1.00 0.00 C ATOM 1200 CG ARG A 81 13.610 8.595 -11.590 1.00 0.00 C ATOM 1201 CD ARG A 81 14.711 9.541 -11.139 1.00 0.00 C ATOM 1202 NE ARG A 81 15.954 8.833 -10.845 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.801 8.415 -11.779 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.540 8.633 -13.060 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.912 7.777 -11.432 1.00 0.00 N ATOM 0 H ARG A 81 10.932 9.077 -10.322 1.00 0.00 H new ATOM 0 HA ARG A 81 12.593 11.254 -11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.772 8.612 -12.685 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.975 9.736 -13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.163 8.114 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.038 7.804 -12.206 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.892 10.284 -11.916 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.383 10.082 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 81 16.185 8.649 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.687 9.123 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.192 8.311 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.116 7.607 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.562 7.457 -12.150 1.00 0.00 H new ATOM 1219 N GLY A 82 9.524 11.065 -11.781 1.00 0.00 N ATOM 1220 CA GLY A 82 8.350 11.588 -12.454 1.00 0.00 C ATOM 1221 C GLY A 82 7.838 10.657 -13.535 1.00 0.00 C ATOM 1222 O GLY A 82 6.898 10.989 -14.258 1.00 0.00 O ATOM 0 H GLY A 82 9.362 10.740 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.561 11.758 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.589 12.556 -12.895 1.00 0.00 H new ATOM 1226 N LEU A 83 8.458 9.487 -13.648 1.00 0.00 N ATOM 1227 CA LEU A 83 8.061 8.504 -14.650 1.00 0.00 C ATOM 1228 C LEU A 83 6.776 7.794 -14.237 1.00 0.00 C ATOM 1229 O LEU A 83 6.058 7.248 -15.076 1.00 0.00 O ATOM 1230 CB LEU A 83 9.179 7.481 -14.860 1.00 0.00 C ATOM 1231 CG LEU A 83 10.576 8.053 -15.103 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.641 7.095 -14.593 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.782 8.344 -16.583 1.00 0.00 C ATOM 0 H LEU A 83 9.238 9.196 -13.058 1.00 0.00 H new ATOM 0 HA LEU A 83 7.878 9.030 -15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.221 6.834 -13.984 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.913 6.852 -15.709 1.00 0.00 H new ATOM 0 HG LEU A 83 10.666 8.989 -14.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.629 7.519 -14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.505 6.936 -13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.554 6.142 -15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.781 8.751 -16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.673 7.422 -17.154 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.040 9.068 -16.918 1.00 0.00 H new ATOM 1245 N LEU A 84 6.491 7.806 -12.939 1.00 0.00 N ATOM 1246 CA LEU A 84 5.290 7.165 -12.414 1.00 0.00 C ATOM 1247 C LEU A 84 4.108 8.128 -12.428 1.00 0.00 C ATOM 1248 O LEU A 84 4.161 9.201 -11.827 1.00 0.00 O ATOM 1249 CB LEU A 84 5.538 6.664 -10.990 1.00 0.00 C ATOM 1250 CG LEU A 84 4.460 5.751 -10.403 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.692 4.310 -10.828 1.00 0.00 C ATOM 1252 CD2 LEU A 84 4.435 5.864 -8.885 1.00 0.00 C ATOM 0 H LEU A 84 7.075 8.252 -12.231 1.00 0.00 H new ATOM 0 HA LEU A 84 5.050 6.317 -13.055 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.487 6.129 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.649 7.529 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 84 3.491 6.070 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.916 3.675 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.659 4.242 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.668 3.978 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.662 5.208 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.405 5.571 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.220 6.894 -8.600 1.00 0.00 H new ATOM 1264 N SER A 85 3.040 7.736 -13.116 1.00 0.00 N ATOM 1265 CA SER A 85 1.844 8.565 -13.210 1.00 0.00 C ATOM 1266 C SER A 85 0.593 7.752 -12.893 1.00 0.00 C ATOM 1267 O SER A 85 0.677 6.575 -12.541 1.00 0.00 O ATOM 1268 CB SER A 85 1.729 9.175 -14.608 1.00 0.00 C ATOM 1269 OG SER A 85 2.764 10.116 -14.841 1.00 0.00 O ATOM 0 H SER A 85 2.979 6.849 -13.616 1.00 0.00 H new ATOM 0 HA SER A 85 1.930 9.367 -12.477 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.776 8.385 -15.358 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.760 9.661 -14.717 1.00 0.00 H new ATOM 0 HG SER A 85 2.669 10.490 -15.742 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.566 8.388 -13.020 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.836 7.725 -12.748 1.00 0.00 C ATOM 1277 C ASP A 86 -1.953 6.428 -13.543 1.00 0.00 C ATOM 1278 O ASP A 86 -2.395 5.407 -13.020 1.00 0.00 O ATOM 1279 CB ASP A 86 -3.003 8.653 -13.088 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.969 9.122 -14.529 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.096 9.951 -14.863 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -3.816 8.661 -15.323 1.00 0.00 O ATOM 0 H ASP A 86 -0.653 9.362 -13.310 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.872 7.483 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.943 8.134 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.979 9.519 -12.426 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.555 6.479 -14.811 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.617 5.309 -15.678 1.00 0.00 C ATOM 1289 C GLU A 87 -1.152 4.058 -14.938 1.00 0.00 C ATOM 1290 O GLU A 87 -1.738 2.985 -15.081 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.759 5.525 -16.926 1.00 0.00 C ATOM 1292 CG GLU A 87 -1.497 6.217 -18.060 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.729 7.691 -17.790 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -0.743 8.407 -17.514 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.896 8.129 -17.857 1.00 0.00 O ATOM 0 H GLU A 87 -1.187 7.318 -15.260 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.655 5.167 -15.980 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.115 6.118 -16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.394 4.560 -17.277 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.926 6.106 -18.982 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.457 5.725 -18.218 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.095 4.205 -14.146 1.00 0.00 N ATOM 1303 CA ASP A 88 0.450 3.088 -13.383 1.00 0.00 C ATOM 1304 C ASP A 88 -0.434 2.769 -12.181 1.00 0.00 C ATOM 1305 O ASP A 88 -0.857 1.627 -11.994 1.00 0.00 O ATOM 1306 CB ASP A 88 1.871 3.407 -12.916 1.00 0.00 C ATOM 1307 CG ASP A 88 2.880 3.339 -14.045 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.677 2.531 -14.976 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.873 4.095 -13.999 1.00 0.00 O ATOM 0 H ASP A 88 0.401 5.087 -14.016 1.00 0.00 H new ATOM 0 HA ASP A 88 0.477 2.214 -14.034 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.890 4.404 -12.475 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.159 2.706 -12.133 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.709 3.784 -11.369 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.542 3.612 -10.184 1.00 0.00 C ATOM 1316 C LEU A 89 -2.763 2.754 -10.497 1.00 0.00 C ATOM 1317 O LEU A 89 -3.112 1.852 -9.736 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.985 4.974 -9.646 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.049 5.631 -8.631 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.292 7.131 -8.574 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.231 5.007 -7.255 1.00 0.00 C ATOM 0 H LEU A 89 -0.367 4.735 -11.510 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.949 3.103 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.108 5.653 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.966 4.859 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.021 5.462 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.617 7.582 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.110 7.567 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.324 7.321 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.557 5.487 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.261 5.145 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.006 3.942 -7.306 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.409 3.041 -11.623 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.591 2.295 -12.037 1.00 0.00 C ATOM 1335 C ARG A 90 -4.406 0.801 -11.789 1.00 0.00 C ATOM 1336 O ARG A 90 -5.283 0.140 -11.235 1.00 0.00 O ATOM 1337 CB ARG A 90 -4.885 2.545 -13.518 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.168 4.001 -13.845 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.068 4.134 -15.064 1.00 0.00 C ATOM 1340 NE ARG A 90 -5.826 5.377 -15.791 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.557 5.778 -16.825 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.571 5.037 -17.251 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -6.275 6.922 -17.435 1.00 0.00 N ATOM 0 H ARG A 90 -3.133 3.785 -12.264 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.436 2.642 -11.442 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.035 2.207 -14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.742 1.941 -13.817 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.640 4.482 -12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.229 4.523 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.904 3.287 -15.730 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.111 4.095 -14.750 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.053 5.970 -15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.791 4.157 -16.784 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.131 5.347 -18.045 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.496 7.495 -17.110 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.837 7.229 -18.229 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.257 0.275 -12.204 1.00 0.00 N ATOM 1358 CA GLY A 91 -2.978 -1.137 -12.018 1.00 0.00 C ATOM 1359 C GLY A 91 -2.896 -1.889 -13.332 1.00 0.00 C ATOM 1360 O GLY A 91 -3.595 -1.576 -14.295 1.00 0.00 O ATOM 0 H GLY A 91 -2.515 0.801 -12.665 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.038 -1.251 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.757 -1.580 -11.397 1.00 0.00 H new ATOM 1364 N PRO A 92 -2.022 -2.905 -13.382 1.00 0.00 N ATOM 1365 CA PRO A 92 -1.829 -3.725 -14.582 1.00 0.00 C ATOM 1366 C PRO A 92 -3.032 -4.615 -14.876 1.00 0.00 C ATOM 1367 O PRO A 92 -3.395 -4.822 -16.033 1.00 0.00 O ATOM 1368 CB PRO A 92 -0.605 -4.576 -14.238 1.00 0.00 C ATOM 1369 CG PRO A 92 -0.599 -4.646 -12.749 1.00 0.00 C ATOM 1370 CD PRO A 92 -1.156 -3.334 -12.271 1.00 0.00 C ATOM 0 HA PRO A 92 -1.702 -3.115 -15.476 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.676 -5.569 -14.681 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.311 -4.123 -14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.205 -5.480 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.411 -4.803 -12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.719 -3.450 -11.345 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.366 -2.610 -12.075 1.00 0.00 H new ATOM 1378 N GLY A 93 -3.647 -5.138 -13.820 1.00 0.00 N ATOM 1379 CA GLY A 93 -4.803 -6.000 -13.987 1.00 0.00 C ATOM 1380 C GLY A 93 -5.578 -6.186 -12.698 1.00 0.00 C ATOM 1381 O GLY A 93 -5.059 -5.932 -11.611 1.00 0.00 O ATOM 0 H GLY A 93 -3.366 -4.980 -12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.462 -5.577 -14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.477 -6.973 -14.355 1.00 0.00 H new ATOM 1385 N SER A 94 -6.826 -6.628 -12.818 1.00 0.00 N ATOM 1386 CA SER A 94 -7.677 -6.842 -11.653 1.00 0.00 C ATOM 1387 C SER A 94 -7.720 -8.320 -11.277 1.00 0.00 C ATOM 1388 O SER A 94 -7.458 -8.688 -10.133 1.00 0.00 O ATOM 1389 CB SER A 94 -9.093 -6.332 -11.929 1.00 0.00 C ATOM 1390 OG SER A 94 -9.875 -6.336 -10.747 1.00 0.00 O ATOM 0 H SER A 94 -7.270 -6.845 -13.710 1.00 0.00 H new ATOM 0 HA SER A 94 -7.255 -6.284 -10.817 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.046 -5.321 -12.335 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.567 -6.958 -12.685 1.00 0.00 H new ATOM 0 HG SER A 94 -10.775 -6.004 -10.949 1.00 0.00 H new ATOM 1396 N GLY A 95 -8.055 -9.162 -12.249 1.00 0.00 N ATOM 1397 CA GLY A 95 -8.128 -10.590 -12.002 1.00 0.00 C ATOM 1398 C GLY A 95 -9.452 -11.187 -12.434 1.00 0.00 C ATOM 1399 O GLY A 95 -10.297 -11.539 -11.611 1.00 0.00 O ATOM 0 H GLY A 95 -8.277 -8.881 -13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.318 -11.089 -12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.977 -10.780 -10.939 1.00 0.00 H new ATOM 1403 N PRO A 96 -9.649 -11.306 -13.755 1.00 0.00 N ATOM 1404 CA PRO A 96 -10.879 -11.863 -14.326 1.00 0.00 C ATOM 1405 C PRO A 96 -11.009 -13.361 -14.072 1.00 0.00 C ATOM 1406 O PRO A 96 -10.015 -14.087 -14.059 1.00 0.00 O ATOM 1407 CB PRO A 96 -10.733 -11.585 -15.824 1.00 0.00 C ATOM 1408 CG PRO A 96 -9.263 -11.496 -16.051 1.00 0.00 C ATOM 1409 CD PRO A 96 -8.685 -10.907 -14.795 1.00 0.00 C ATOM 0 HA PRO A 96 -11.771 -11.421 -13.882 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.178 -12.382 -16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.234 -10.659 -16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.839 -12.480 -16.252 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.039 -10.870 -16.915 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.688 -11.298 -14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.595 -9.823 -14.864 1.00 0.00 H new ATOM 1417 N SER A 97 -12.241 -13.818 -13.871 1.00 0.00 N ATOM 1418 CA SER A 97 -12.500 -15.230 -13.614 1.00 0.00 C ATOM 1419 C SER A 97 -13.595 -15.758 -14.537 1.00 0.00 C ATOM 1420 O SER A 97 -14.494 -15.019 -14.937 1.00 0.00 O ATOM 1421 CB SER A 97 -12.904 -15.439 -12.154 1.00 0.00 C ATOM 1422 OG SER A 97 -12.938 -16.817 -11.826 1.00 0.00 O ATOM 0 H SER A 97 -13.075 -13.231 -13.881 1.00 0.00 H new ATOM 0 HA SER A 97 -11.583 -15.784 -13.812 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.199 -14.924 -11.501 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.884 -14.996 -11.978 1.00 0.00 H new ATOM 0 HG SER A 97 -13.197 -16.923 -10.887 1.00 0.00 H new ATOM 1428 N SER A 98 -13.510 -17.042 -14.871 1.00 0.00 N ATOM 1429 CA SER A 98 -14.491 -17.669 -15.749 1.00 0.00 C ATOM 1430 C SER A 98 -14.602 -19.163 -15.460 1.00 0.00 C ATOM 1431 O SER A 98 -13.602 -19.834 -15.209 1.00 0.00 O ATOM 1432 CB SER A 98 -14.109 -17.449 -17.214 1.00 0.00 C ATOM 1433 OG SER A 98 -14.906 -18.244 -18.074 1.00 0.00 O ATOM 0 H SER A 98 -12.773 -17.668 -14.547 1.00 0.00 H new ATOM 0 HA SER A 98 -15.460 -17.207 -15.560 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.230 -16.397 -17.471 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.057 -17.693 -17.359 1.00 0.00 H new ATOM 0 HG SER A 98 -14.643 -18.084 -19.004 1.00 0.00 H new ATOM 1439 N GLY A 99 -15.828 -19.677 -15.497 1.00 0.00 N ATOM 1440 CA GLY A 99 -16.049 -21.088 -15.237 1.00 0.00 C ATOM 1441 C GLY A 99 -16.270 -21.378 -13.766 1.00 0.00 C ATOM 1442 O GLY A 99 -15.408 -21.094 -12.934 1.00 0.00 O ATOM 0 H GLY A 99 -16.672 -19.142 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.915 -21.428 -15.805 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.191 -21.659 -15.592 1.00 0.00 H new TER 1446 GLY A 99