USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 747 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 7 THR OG1 : rot 180:sc= 0.174 USER MOD Set 1.2: A 10 ASN : amide:sc= 0.904 K(o=1.1,f=-4!) USER MOD Single : A 13 SER OG : rot -72:sc= 1.28 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -86:sc= 1.17 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -173:sc= 0 (180deg=-0.0487) USER MOD Single : A 43 TYR OH : rot 149:sc= 0.295 USER MOD Single : A 48 THR OG1 : rot -58:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 2.32 (180deg=2.3) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 150:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.55 K(o=1.5,f=-3.3!) USER MOD Single : A 65 THR OG1 : rot -39:sc= 1.22 USER MOD Single : A 66 ASN : amide:sc= 0.0925 K(o=0.092,f=-5.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -68:sc= 0.214 USER MOD Single : A 69 ASN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 145:sc= 0.115 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 140:sc= 1.29 USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 1.83 (180deg=1.76) USER MOD Single : A 91 TYR OH : rot 161:sc= 1.33 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 102 SER OG : rot 64:sc= 1.25 USER MOD Single : A 103 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -2.151 -0.886 11.737 1.00 0.00 N ATOM 15 CA ASP A 2 -1.467 -2.065 11.165 1.00 0.00 C ATOM 16 C ASP A 2 -0.645 -1.760 9.893 1.00 0.00 C ATOM 17 O ASP A 2 0.081 -2.626 9.407 1.00 0.00 O ATOM 18 CB ASP A 2 -2.518 -3.155 10.891 1.00 0.00 C ATOM 19 CG ASP A 2 -3.037 -3.794 12.189 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.275 -4.547 12.842 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.209 -3.549 12.557 1.00 0.00 O ATOM 0 HA ASP A 2 -0.736 -2.407 11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.354 -2.723 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.083 -3.927 10.256 1.00 0.00 H new ATOM 26 N VAL A 3 -0.737 -0.531 9.366 1.00 0.00 N ATOM 27 CA VAL A 3 0.018 -0.050 8.190 1.00 0.00 C ATOM 28 C VAL A 3 1.432 0.381 8.607 1.00 0.00 C ATOM 29 O VAL A 3 1.597 1.126 9.578 1.00 0.00 O ATOM 30 CB VAL A 3 -0.712 1.146 7.542 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.018 1.684 6.305 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.126 0.777 7.077 1.00 0.00 C ATOM 0 H VAL A 3 -1.356 0.181 9.755 1.00 0.00 H new ATOM 0 HA VAL A 3 0.088 -0.864 7.468 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.742 1.902 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.539 2.524 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.017 2.016 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.096 0.895 5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.601 1.649 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.069 -0.025 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.715 0.444 7.932 1.00 0.00 H new ATOM 42 N LEU A 4 2.454 -0.067 7.876 1.00 0.00 N ATOM 43 CA LEU A 4 3.846 0.364 8.056 1.00 0.00 C ATOM 44 C LEU A 4 4.037 1.823 7.611 1.00 0.00 C ATOM 45 O LEU A 4 3.625 2.205 6.519 1.00 0.00 O ATOM 46 CB LEU A 4 4.758 -0.551 7.221 1.00 0.00 C ATOM 47 CG LEU A 4 4.732 -2.045 7.596 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.583 -2.835 6.601 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.269 -2.294 9.003 1.00 0.00 C ATOM 0 H LEU A 4 2.338 -0.751 7.129 1.00 0.00 H new ATOM 0 HA LEU A 4 4.102 0.297 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.477 -0.454 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.783 -0.191 7.311 1.00 0.00 H new ATOM 0 HG LEU A 4 3.692 -2.371 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.565 -3.892 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.182 -2.706 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.610 -2.471 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.231 -3.361 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.300 -1.947 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.659 -1.752 9.726 1.00 0.00 H new ATOM 61 N GLU A 5 4.706 2.655 8.407 1.00 0.00 N ATOM 62 CA GLU A 5 4.845 4.101 8.143 1.00 0.00 C ATOM 63 C GLU A 5 6.275 4.434 7.678 1.00 0.00 C ATOM 64 O GLU A 5 7.067 5.092 8.366 1.00 0.00 O ATOM 65 CB GLU A 5 4.340 4.929 9.340 1.00 0.00 C ATOM 66 CG GLU A 5 2.903 4.547 9.735 1.00 0.00 C ATOM 67 CD GLU A 5 2.236 5.564 10.682 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.875 6.001 11.669 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.050 5.915 10.459 1.00 0.00 O ATOM 0 H GLU A 5 5.173 2.351 9.261 1.00 0.00 H new ATOM 0 HA GLU A 5 4.201 4.388 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.003 4.778 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.378 5.989 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.299 4.452 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.914 3.568 10.215 1.00 0.00 H new ATOM 76 N LEU A 6 6.618 3.871 6.514 1.00 0.00 N ATOM 77 CA LEU A 6 7.964 3.854 5.934 1.00 0.00 C ATOM 78 C LEU A 6 8.466 5.242 5.480 1.00 0.00 C ATOM 79 O LEU A 6 7.684 6.150 5.178 1.00 0.00 O ATOM 80 CB LEU A 6 7.981 2.860 4.755 1.00 0.00 C ATOM 81 CG LEU A 6 7.524 1.426 5.085 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.656 0.536 3.850 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.365 0.811 6.200 1.00 0.00 C ATOM 0 H LEU A 6 5.935 3.394 5.926 1.00 0.00 H new ATOM 0 HA LEU A 6 8.653 3.539 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.342 3.252 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.994 2.816 4.355 1.00 0.00 H new ATOM 0 HG LEU A 6 6.485 1.487 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.331 -0.475 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.035 0.933 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.697 0.514 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.014 -0.200 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.410 0.776 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.273 1.417 7.101 1.00 0.00 H new ATOM 95 N THR A 7 9.797 5.376 5.376 1.00 0.00 N ATOM 96 CA THR A 7 10.514 6.610 4.991 1.00 0.00 C ATOM 97 C THR A 7 11.794 6.276 4.224 1.00 0.00 C ATOM 98 O THR A 7 12.337 5.184 4.372 1.00 0.00 O ATOM 99 CB THR A 7 10.940 7.428 6.223 1.00 0.00 C ATOM 100 OG1 THR A 7 11.799 6.684 7.061 1.00 0.00 O ATOM 101 CG2 THR A 7 9.768 7.886 7.080 1.00 0.00 C ATOM 0 H THR A 7 10.432 4.600 5.564 1.00 0.00 H new ATOM 0 HA THR A 7 9.822 7.184 4.375 1.00 0.00 H new ATOM 0 HB THR A 7 11.446 8.302 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.054 7.229 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.140 8.457 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.105 8.513 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.218 7.016 7.439 1.00 0.00 H new ATOM 109 N ASP A 8 12.352 7.234 3.482 1.00 0.00 N ATOM 110 CA ASP A 8 13.651 7.112 2.794 1.00 0.00 C ATOM 111 C ASP A 8 14.820 6.695 3.720 1.00 0.00 C ATOM 112 O ASP A 8 15.807 6.116 3.260 1.00 0.00 O ATOM 113 CB ASP A 8 13.939 8.455 2.098 1.00 0.00 C ATOM 114 CG ASP A 8 15.275 8.472 1.339 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.418 7.719 0.346 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.171 9.273 1.707 1.00 0.00 O ATOM 0 H ASP A 8 11.907 8.140 3.335 1.00 0.00 H new ATOM 0 HA ASP A 8 13.579 6.301 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.130 8.676 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.943 9.250 2.844 1.00 0.00 H new ATOM 121 N ASP A 9 14.701 6.948 5.030 1.00 0.00 N ATOM 122 CA ASP A 9 15.668 6.528 6.049 1.00 0.00 C ATOM 123 C ASP A 9 15.709 5.001 6.283 1.00 0.00 C ATOM 124 O ASP A 9 16.759 4.480 6.673 1.00 0.00 O ATOM 125 CB ASP A 9 15.345 7.243 7.369 1.00 0.00 C ATOM 126 CG ASP A 9 16.455 7.056 8.419 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.571 7.599 8.231 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.204 6.396 9.459 1.00 0.00 O ATOM 0 H ASP A 9 13.911 7.463 5.418 1.00 0.00 H new ATOM 0 HA ASP A 9 16.655 6.804 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.203 8.307 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.404 6.862 7.766 1.00 0.00 H new ATOM 133 N ASN A 10 14.596 4.281 6.053 1.00 0.00 N ATOM 134 CA ASN A 10 14.498 2.841 6.381 1.00 0.00 C ATOM 135 C ASN A 10 13.717 1.939 5.395 1.00 0.00 C ATOM 136 O ASN A 10 13.842 0.720 5.486 1.00 0.00 O ATOM 137 CB ASN A 10 13.994 2.689 7.834 1.00 0.00 C ATOM 138 CG ASN A 10 12.482 2.665 8.011 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.898 1.648 8.359 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.789 3.765 7.810 1.00 0.00 N ATOM 0 H ASN A 10 13.749 4.671 5.641 1.00 0.00 H new ATOM 0 HA ASN A 10 15.511 2.454 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.404 1.767 8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.397 3.510 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.778 3.763 7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.263 4.620 7.520 1.00 0.00 H new ATOM 147 N PHE A 11 12.958 2.489 4.443 1.00 0.00 N ATOM 148 CA PHE A 11 12.161 1.742 3.450 1.00 0.00 C ATOM 149 C PHE A 11 12.959 0.610 2.785 1.00 0.00 C ATOM 150 O PHE A 11 12.503 -0.528 2.746 1.00 0.00 O ATOM 151 CB PHE A 11 11.623 2.743 2.405 1.00 0.00 C ATOM 152 CG PHE A 11 10.836 2.159 1.238 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.511 1.631 0.117 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.428 2.192 1.238 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.786 1.118 -0.972 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.701 1.667 0.156 1.00 0.00 C ATOM 157 CZ PHE A 11 9.382 1.128 -0.944 1.00 0.00 C ATOM 0 H PHE A 11 12.875 3.500 4.334 1.00 0.00 H new ATOM 0 HA PHE A 11 11.331 1.254 3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.985 3.462 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.468 3.299 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.591 1.621 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.903 2.624 2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.307 0.717 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.621 1.679 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.825 0.719 -1.774 1.00 0.00 H new ATOM 167 N GLU A 12 14.205 0.891 2.386 1.00 0.00 N ATOM 168 CA GLU A 12 15.125 -0.029 1.691 1.00 0.00 C ATOM 169 C GLU A 12 15.505 -1.302 2.478 1.00 0.00 C ATOM 170 O GLU A 12 16.127 -2.212 1.927 1.00 0.00 O ATOM 171 CB GLU A 12 16.408 0.744 1.316 1.00 0.00 C ATOM 172 CG GLU A 12 16.199 1.826 0.250 1.00 0.00 C ATOM 173 CD GLU A 12 16.044 1.209 -1.155 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.073 1.022 -1.853 1.00 0.00 O ATOM 175 OE2 GLU A 12 14.899 0.914 -1.575 1.00 0.00 O ATOM 0 H GLU A 12 14.623 1.808 2.544 1.00 0.00 H new ATOM 0 HA GLU A 12 14.586 -0.386 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.815 1.208 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.154 0.035 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.312 2.411 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.045 2.513 0.256 1.00 0.00 H new ATOM 182 N SER A 13 15.117 -1.381 3.755 1.00 0.00 N ATOM 183 CA SER A 13 15.324 -2.543 4.634 1.00 0.00 C ATOM 184 C SER A 13 14.050 -3.349 4.920 1.00 0.00 C ATOM 185 O SER A 13 14.132 -4.529 5.267 1.00 0.00 O ATOM 186 CB SER A 13 15.921 -2.056 5.960 1.00 0.00 C ATOM 187 OG SER A 13 14.950 -1.341 6.711 1.00 0.00 O ATOM 0 H SER A 13 14.634 -0.614 4.223 1.00 0.00 H new ATOM 0 HA SER A 13 15.999 -3.218 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.281 -2.907 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.782 -1.416 5.765 1.00 0.00 H new ATOM 0 HG SER A 13 14.789 -0.470 6.292 1.00 0.00 H new ATOM 193 N ARG A 14 12.869 -2.725 4.785 1.00 0.00 N ATOM 194 CA ARG A 14 11.582 -3.298 5.223 1.00 0.00 C ATOM 195 C ARG A 14 10.884 -4.092 4.128 1.00 0.00 C ATOM 196 O ARG A 14 10.208 -5.073 4.426 1.00 0.00 O ATOM 197 CB ARG A 14 10.653 -2.172 5.702 1.00 0.00 C ATOM 198 CG ARG A 14 11.221 -1.304 6.837 1.00 0.00 C ATOM 199 CD ARG A 14 11.765 -2.087 8.035 1.00 0.00 C ATOM 200 NE ARG A 14 12.199 -1.152 9.088 1.00 0.00 N ATOM 201 CZ ARG A 14 12.819 -1.461 10.213 1.00 0.00 C ATOM 202 NH1 ARG A 14 13.116 -2.691 10.533 1.00 0.00 N ATOM 203 NH2 ARG A 14 13.150 -0.520 11.053 1.00 0.00 N ATOM 0 H ARG A 14 12.778 -1.800 4.365 1.00 0.00 H new ATOM 0 HA ARG A 14 11.802 -3.990 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.419 -1.528 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.714 -2.613 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.020 -0.682 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.439 -0.630 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.996 -2.755 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.602 -2.711 7.723 1.00 0.00 H new ATOM 0 HE ARG A 14 12.000 -0.164 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.869 -3.455 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.595 -2.888 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.930 0.453 10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.629 -0.757 11.922 1.00 0.00 H new ATOM 217 N ILE A 15 11.099 -3.733 2.864 1.00 0.00 N ATOM 218 CA ILE A 15 10.543 -4.460 1.702 1.00 0.00 C ATOM 219 C ILE A 15 11.092 -5.894 1.580 1.00 0.00 C ATOM 220 O ILE A 15 10.451 -6.780 1.014 1.00 0.00 O ATOM 221 CB ILE A 15 10.696 -3.648 0.396 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.071 -3.741 -0.308 1.00 0.00 C ATOM 223 CG2 ILE A 15 10.295 -2.186 0.638 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.256 -3.203 0.495 1.00 0.00 C ATOM 0 H ILE A 15 11.666 -2.926 2.605 1.00 0.00 H new ATOM 0 HA ILE A 15 9.473 -4.571 1.880 1.00 0.00 H new ATOM 0 HB ILE A 15 10.014 -4.121 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.264 -4.785 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.015 -3.196 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.406 -1.620 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.257 -2.143 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.937 -1.755 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.171 -3.315 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.095 -2.148 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.348 -3.762 1.426 1.00 0.00 H new ATOM 236 N SER A 16 12.260 -6.128 2.183 1.00 0.00 N ATOM 237 CA SER A 16 12.941 -7.427 2.283 1.00 0.00 C ATOM 238 C SER A 16 12.348 -8.346 3.362 1.00 0.00 C ATOM 239 O SER A 16 12.707 -9.520 3.423 1.00 0.00 O ATOM 240 CB SER A 16 14.432 -7.215 2.588 1.00 0.00 C ATOM 241 OG SER A 16 15.036 -6.337 1.642 1.00 0.00 O ATOM 0 H SER A 16 12.785 -5.381 2.638 1.00 0.00 H new ATOM 0 HA SER A 16 12.801 -7.917 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.545 -6.805 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.948 -8.175 2.576 1.00 0.00 H new ATOM 0 HG SER A 16 15.984 -6.220 1.863 1.00 0.00 H new ATOM 247 N ASP A 17 11.426 -7.848 4.198 1.00 0.00 N ATOM 248 CA ASP A 17 10.706 -8.658 5.197 1.00 0.00 C ATOM 249 C ASP A 17 9.598 -9.542 4.577 1.00 0.00 C ATOM 250 O ASP A 17 9.018 -10.400 5.246 1.00 0.00 O ATOM 251 CB ASP A 17 10.134 -7.730 6.277 1.00 0.00 C ATOM 252 CG ASP A 17 9.658 -8.490 7.527 1.00 0.00 C ATOM 253 OD1 ASP A 17 10.490 -9.167 8.176 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.467 -8.365 7.906 1.00 0.00 O ATOM 0 H ASP A 17 11.155 -6.865 4.202 1.00 0.00 H new ATOM 0 HA ASP A 17 11.420 -9.351 5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.895 -7.005 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.299 -7.167 5.860 1.00 0.00 H new ATOM 259 N THR A 18 9.321 -9.348 3.280 1.00 0.00 N ATOM 260 CA THR A 18 8.428 -10.175 2.461 1.00 0.00 C ATOM 261 C THR A 18 8.924 -11.626 2.351 1.00 0.00 C ATOM 262 O THR A 18 10.127 -11.915 2.393 1.00 0.00 O ATOM 263 CB THR A 18 8.248 -9.589 1.044 1.00 0.00 C ATOM 264 OG1 THR A 18 9.476 -9.309 0.405 1.00 0.00 O ATOM 265 CG2 THR A 18 7.451 -8.293 1.054 1.00 0.00 C ATOM 0 H THR A 18 9.731 -8.578 2.752 1.00 0.00 H new ATOM 0 HA THR A 18 7.465 -10.174 2.971 1.00 0.00 H new ATOM 0 HB THR A 18 7.713 -10.365 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.783 -8.415 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.351 -7.919 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.461 -8.478 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.969 -7.552 1.663 1.00 0.00 H new ATOM 273 N GLY A 19 7.973 -12.551 2.185 1.00 0.00 N ATOM 274 CA GLY A 19 8.248 -13.973 1.938 1.00 0.00 C ATOM 275 C GLY A 19 6.979 -14.833 1.920 1.00 0.00 C ATOM 276 O GLY A 19 6.555 -15.291 0.859 1.00 0.00 O ATOM 0 H GLY A 19 6.977 -12.332 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.765 -14.077 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.923 -14.346 2.708 1.00 0.00 H new ATOM 280 N SER A 20 6.330 -14.995 3.075 1.00 0.00 N ATOM 281 CA SER A 20 5.099 -15.798 3.231 1.00 0.00 C ATOM 282 C SER A 20 3.891 -15.193 2.498 1.00 0.00 C ATOM 283 O SER A 20 3.061 -15.922 1.952 1.00 0.00 O ATOM 284 CB SER A 20 4.744 -15.954 4.716 1.00 0.00 C ATOM 285 OG SER A 20 5.816 -16.522 5.454 1.00 0.00 O ATOM 0 H SER A 20 6.644 -14.568 3.947 1.00 0.00 H new ATOM 0 HA SER A 20 5.313 -16.769 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.490 -14.980 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.860 -16.584 4.815 1.00 0.00 H new ATOM 0 HG SER A 20 5.557 -16.606 6.395 1.00 0.00 H new ATOM 291 N ALA A 21 3.807 -13.858 2.463 1.00 0.00 N ATOM 292 CA ALA A 21 2.780 -13.107 1.735 1.00 0.00 C ATOM 293 C ALA A 21 3.054 -12.983 0.218 1.00 0.00 C ATOM 294 O ALA A 21 2.163 -12.617 -0.550 1.00 0.00 O ATOM 295 CB ALA A 21 2.715 -11.717 2.369 1.00 0.00 C ATOM 0 H ALA A 21 4.469 -13.256 2.953 1.00 0.00 H new ATOM 0 HA ALA A 21 1.836 -13.646 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.961 -11.119 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.452 -11.810 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.686 -11.230 2.279 1.00 0.00 H new ATOM 301 N GLY A 22 4.294 -13.251 -0.213 1.00 0.00 N ATOM 302 CA GLY A 22 4.773 -13.146 -1.599 1.00 0.00 C ATOM 303 C GLY A 22 5.092 -11.716 -2.064 1.00 0.00 C ATOM 304 O GLY A 22 5.908 -11.546 -2.971 1.00 0.00 O ATOM 0 H GLY A 22 5.026 -13.562 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.670 -13.756 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.019 -13.569 -2.262 1.00 0.00 H new ATOM 308 N LEU A 23 4.497 -10.684 -1.454 1.00 0.00 N ATOM 309 CA LEU A 23 4.618 -9.276 -1.856 1.00 0.00 C ATOM 310 C LEU A 23 4.359 -8.288 -0.706 1.00 0.00 C ATOM 311 O LEU A 23 3.910 -8.677 0.372 1.00 0.00 O ATOM 312 CB LEU A 23 3.663 -9.027 -3.058 1.00 0.00 C ATOM 313 CG LEU A 23 2.141 -9.061 -2.767 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.602 -7.733 -2.223 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.401 -9.360 -4.070 1.00 0.00 C ATOM 0 H LEU A 23 3.897 -10.810 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 23 5.650 -9.090 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.904 -8.054 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.878 -9.774 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 23 1.979 -9.827 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.531 -7.823 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.110 -7.489 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.781 -6.942 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.328 -9.387 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.621 -8.581 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.725 -10.325 -4.459 1.00 0.00 H new ATOM 327 N MET A 24 4.596 -7.000 -0.977 1.00 0.00 N ATOM 328 CA MET A 24 4.217 -5.856 -0.131 1.00 0.00 C ATOM 329 C MET A 24 3.406 -4.853 -0.968 1.00 0.00 C ATOM 330 O MET A 24 3.715 -4.604 -2.139 1.00 0.00 O ATOM 331 CB MET A 24 5.479 -5.214 0.470 1.00 0.00 C ATOM 332 CG MET A 24 5.171 -3.975 1.326 1.00 0.00 C ATOM 333 SD MET A 24 6.590 -3.266 2.209 1.00 0.00 S ATOM 334 CE MET A 24 6.869 -4.524 3.486 1.00 0.00 C ATOM 0 H MET A 24 5.078 -6.711 -1.828 1.00 0.00 H new ATOM 0 HA MET A 24 3.591 -6.189 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.999 -5.951 1.081 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.157 -4.933 -0.336 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.745 -3.206 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.406 -4.240 2.056 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.628 -4.172 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.939 -4.709 4.024 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.207 -5.449 3.018 1.00 0.00 H new ATOM 344 N LEU A 25 2.374 -4.276 -0.358 1.00 0.00 N ATOM 345 CA LEU A 25 1.526 -3.220 -0.918 1.00 0.00 C ATOM 346 C LEU A 25 1.893 -1.888 -0.234 1.00 0.00 C ATOM 347 O LEU A 25 2.218 -1.865 0.955 1.00 0.00 O ATOM 348 CB LEU A 25 0.052 -3.626 -0.684 1.00 0.00 C ATOM 349 CG LEU A 25 -0.943 -3.267 -1.799 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.290 -3.931 -1.509 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.219 -1.770 -1.949 1.00 0.00 C ATOM 0 H LEU A 25 2.090 -4.543 0.585 1.00 0.00 H new ATOM 0 HA LEU A 25 1.676 -3.089 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.016 -4.704 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.288 -3.159 0.240 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.477 -3.617 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.998 -3.678 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.161 -5.013 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.672 -3.576 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.931 -1.611 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.634 -1.382 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.289 -1.250 -2.177 1.00 0.00 H new ATOM 363 N VAL A 26 1.837 -0.777 -0.966 1.00 0.00 N ATOM 364 CA VAL A 26 2.144 0.563 -0.440 1.00 0.00 C ATOM 365 C VAL A 26 1.211 1.615 -1.036 1.00 0.00 C ATOM 366 O VAL A 26 0.811 1.516 -2.197 1.00 0.00 O ATOM 367 CB VAL A 26 3.631 0.913 -0.675 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.018 0.932 -2.152 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.054 2.242 -0.034 1.00 0.00 C ATOM 0 H VAL A 26 1.575 -0.776 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 26 1.973 0.557 0.637 1.00 0.00 H new ATOM 0 HB VAL A 26 4.169 0.104 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.074 1.184 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.838 -0.051 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.418 1.676 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.109 2.425 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.458 3.053 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.896 2.193 1.043 1.00 0.00 H new ATOM 379 N GLU A 27 0.876 2.635 -0.248 1.00 0.00 N ATOM 380 CA GLU A 27 0.116 3.815 -0.653 1.00 0.00 C ATOM 381 C GLU A 27 0.997 5.067 -0.546 1.00 0.00 C ATOM 382 O GLU A 27 1.427 5.462 0.539 1.00 0.00 O ATOM 383 CB GLU A 27 -1.138 3.952 0.226 1.00 0.00 C ATOM 384 CG GLU A 27 -1.993 5.155 -0.184 1.00 0.00 C ATOM 385 CD GLU A 27 -3.164 5.345 0.800 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.240 4.742 0.582 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.019 6.120 1.777 1.00 0.00 O ATOM 0 H GLU A 27 1.140 2.662 0.737 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.199 3.705 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.733 3.042 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.841 4.056 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.379 6.055 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.378 5.008 -1.193 1.00 0.00 H new ATOM 394 N PHE A 28 1.250 5.709 -1.684 1.00 0.00 N ATOM 395 CA PHE A 28 1.888 7.017 -1.737 1.00 0.00 C ATOM 396 C PHE A 28 0.825 8.116 -1.621 1.00 0.00 C ATOM 397 O PHE A 28 -0.203 8.071 -2.306 1.00 0.00 O ATOM 398 CB PHE A 28 2.712 7.127 -3.023 1.00 0.00 C ATOM 399 CG PHE A 28 3.824 6.099 -3.094 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.009 6.312 -2.366 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.660 4.914 -3.837 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.023 5.340 -2.371 1.00 0.00 C ATOM 403 CE2 PHE A 28 4.680 3.949 -3.847 1.00 0.00 C ATOM 404 CZ PHE A 28 5.853 4.151 -3.102 1.00 0.00 C ATOM 0 H PHE A 28 1.015 5.331 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 28 2.572 7.143 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.054 7.004 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.142 8.126 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.139 7.224 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.752 4.748 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.933 5.506 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.562 3.048 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.623 3.394 -3.091 1.00 0.00 H new ATOM 414 N PHE A 29 1.066 9.090 -0.741 1.00 0.00 N ATOM 415 CA PHE A 29 0.112 10.146 -0.375 1.00 0.00 C ATOM 416 C PHE A 29 0.807 11.468 0.008 1.00 0.00 C ATOM 417 O PHE A 29 2.025 11.575 -0.100 1.00 0.00 O ATOM 418 CB PHE A 29 -0.820 9.623 0.740 1.00 0.00 C ATOM 419 CG PHE A 29 -0.249 9.614 2.148 1.00 0.00 C ATOM 420 CD1 PHE A 29 0.773 8.710 2.502 1.00 0.00 C ATOM 421 CD2 PHE A 29 -0.745 10.510 3.117 1.00 0.00 C ATOM 422 CE1 PHE A 29 1.316 8.723 3.801 1.00 0.00 C ATOM 423 CE2 PHE A 29 -0.219 10.505 4.420 1.00 0.00 C ATOM 424 CZ PHE A 29 0.812 9.613 4.766 1.00 0.00 C ATOM 0 H PHE A 29 1.955 9.171 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.491 10.389 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.725 10.231 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.119 8.606 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.142 8.004 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.532 11.203 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.120 8.049 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.608 11.189 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.215 9.612 5.768 1.00 0.00 H new ATOM 434 N ALA A 30 0.058 12.487 0.437 1.00 0.00 N ATOM 435 CA ALA A 30 0.591 13.771 0.914 1.00 0.00 C ATOM 436 C ALA A 30 -0.230 14.282 2.134 1.00 0.00 C ATOM 437 O ALA A 30 -1.381 13.864 2.304 1.00 0.00 O ATOM 438 CB ALA A 30 0.503 14.754 -0.264 1.00 0.00 C ATOM 0 H ALA A 30 -0.961 12.444 0.464 1.00 0.00 H new ATOM 0 HA ALA A 30 1.623 13.668 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.889 15.726 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.094 14.376 -1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.537 14.858 -0.574 1.00 0.00 H new ATOM 444 N PRO A 31 0.314 15.196 2.967 1.00 0.00 N ATOM 445 CA PRO A 31 -0.369 15.737 4.148 1.00 0.00 C ATOM 446 C PRO A 31 -1.474 16.763 3.834 1.00 0.00 C ATOM 447 O PRO A 31 -2.259 17.098 4.726 1.00 0.00 O ATOM 448 CB PRO A 31 0.742 16.376 4.989 1.00 0.00 C ATOM 449 CG PRO A 31 1.773 16.816 3.951 1.00 0.00 C ATOM 450 CD PRO A 31 1.675 15.715 2.896 1.00 0.00 C ATOM 0 HA PRO A 31 -0.899 14.936 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.370 17.222 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.166 15.666 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.538 17.796 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.774 16.881 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.889 16.109 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.402 14.926 3.089 1.00 0.00 H new ATOM 550 N ARG A 38 -9.702 10.655 3.205 1.00 0.00 N ATOM 551 CA ARG A 38 -10.921 9.822 3.141 1.00 0.00 C ATOM 552 C ARG A 38 -10.587 8.326 3.022 1.00 0.00 C ATOM 553 O ARG A 38 -11.299 7.490 3.582 1.00 0.00 O ATOM 554 CB ARG A 38 -11.810 10.269 1.962 1.00 0.00 C ATOM 555 CG ARG A 38 -12.596 11.570 2.210 1.00 0.00 C ATOM 556 CD ARG A 38 -11.730 12.827 2.394 1.00 0.00 C ATOM 557 NE ARG A 38 -12.558 14.049 2.493 1.00 0.00 N ATOM 558 CZ ARG A 38 -12.904 14.874 1.522 1.00 0.00 C ATOM 559 NH1 ARG A 38 -12.584 14.670 0.274 1.00 0.00 N ATOM 560 NH2 ARG A 38 -13.593 15.947 1.786 1.00 0.00 N ATOM 0 HA ARG A 38 -11.466 9.962 4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.183 10.401 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.516 9.471 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.273 11.733 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.214 11.440 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.124 12.723 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.041 12.921 1.555 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.903 14.282 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.044 13.845 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.874 15.336 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.868 16.153 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.858 16.581 1.032 1.00 0.00 H new ATOM 574 N LEU A 39 -9.496 7.993 2.325 1.00 0.00 N ATOM 575 CA LEU A 39 -9.012 6.626 2.108 1.00 0.00 C ATOM 576 C LEU A 39 -8.137 6.081 3.251 1.00 0.00 C ATOM 577 O LEU A 39 -8.131 4.871 3.479 1.00 0.00 O ATOM 578 CB LEU A 39 -8.249 6.599 0.775 1.00 0.00 C ATOM 579 CG LEU A 39 -7.816 5.195 0.319 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.998 4.252 0.121 1.00 0.00 C ATOM 581 CD2 LEU A 39 -7.107 5.315 -1.027 1.00 0.00 C ATOM 0 H LEU A 39 -8.904 8.694 1.880 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.878 5.965 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.877 7.041 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.363 7.228 0.864 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.171 4.789 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.635 3.276 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.540 4.146 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.665 4.659 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.794 4.326 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.788 5.748 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.232 5.956 -0.921 1.00 0.00 H new ATOM 593 N ALA A 40 -7.441 6.930 4.014 1.00 0.00 N ATOM 594 CA ALA A 40 -6.587 6.502 5.127 1.00 0.00 C ATOM 595 C ALA A 40 -7.276 5.541 6.130 1.00 0.00 C ATOM 596 O ALA A 40 -6.730 4.459 6.357 1.00 0.00 O ATOM 597 CB ALA A 40 -5.985 7.730 5.820 1.00 0.00 C ATOM 0 H ALA A 40 -7.454 7.941 3.876 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.784 5.903 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.351 7.407 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.388 8.296 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.787 8.361 6.203 1.00 0.00 H new ATOM 603 N PRO A 41 -8.482 5.826 6.675 1.00 0.00 N ATOM 604 CA PRO A 41 -9.147 4.924 7.624 1.00 0.00 C ATOM 605 C PRO A 41 -9.625 3.610 6.983 1.00 0.00 C ATOM 606 O PRO A 41 -9.785 2.611 7.685 1.00 0.00 O ATOM 607 CB PRO A 41 -10.315 5.726 8.203 1.00 0.00 C ATOM 608 CG PRO A 41 -10.641 6.731 7.097 1.00 0.00 C ATOM 609 CD PRO A 41 -9.269 7.039 6.510 1.00 0.00 C ATOM 0 HA PRO A 41 -8.447 4.604 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.168 5.086 8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.038 6.226 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.315 6.309 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.123 7.626 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.347 7.314 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.804 7.879 7.025 1.00 0.00 H new ATOM 617 N GLU A 42 -9.808 3.578 5.662 1.00 0.00 N ATOM 618 CA GLU A 42 -10.091 2.340 4.921 1.00 0.00 C ATOM 619 C GLU A 42 -8.814 1.511 4.696 1.00 0.00 C ATOM 620 O GLU A 42 -8.816 0.294 4.865 1.00 0.00 O ATOM 621 CB GLU A 42 -10.724 2.694 3.566 1.00 0.00 C ATOM 622 CG GLU A 42 -12.186 3.133 3.644 1.00 0.00 C ATOM 623 CD GLU A 42 -13.117 1.941 3.902 1.00 0.00 C ATOM 624 OE1 GLU A 42 -13.277 1.104 2.980 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.694 1.840 5.012 1.00 0.00 O ATOM 0 H GLU A 42 -9.765 4.409 5.072 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.780 1.737 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.142 3.492 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.653 1.827 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.305 3.868 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.470 3.623 2.713 1.00 0.00 H new ATOM 632 N TYR A 43 -7.694 2.154 4.360 1.00 0.00 N ATOM 633 CA TYR A 43 -6.424 1.463 4.142 1.00 0.00 C ATOM 634 C TYR A 43 -5.839 0.889 5.451 1.00 0.00 C ATOM 635 O TYR A 43 -5.280 -0.209 5.477 1.00 0.00 O ATOM 636 CB TYR A 43 -5.457 2.441 3.464 1.00 0.00 C ATOM 637 CG TYR A 43 -4.205 1.790 2.912 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.279 1.013 1.741 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.970 1.958 3.569 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.117 0.419 1.213 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.806 1.370 3.046 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.874 0.615 1.858 1.00 0.00 C ATOM 643 OH TYR A 43 -0.740 0.074 1.335 1.00 0.00 O ATOM 0 H TYR A 43 -7.643 3.165 4.232 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.588 0.601 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.979 2.947 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.168 3.207 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.229 0.872 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.918 2.540 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.175 -0.184 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.861 1.496 3.553 1.00 0.00 H new ATOM 0 HH TYR A 43 0.025 0.647 1.551 1.00 0.00 H new ATOM 653 N GLU A 44 -6.044 1.580 6.577 1.00 0.00 N ATOM 654 CA GLU A 44 -5.765 1.077 7.935 1.00 0.00 C ATOM 655 C GLU A 44 -6.538 -0.215 8.222 1.00 0.00 C ATOM 656 O GLU A 44 -5.968 -1.210 8.668 1.00 0.00 O ATOM 657 CB GLU A 44 -6.180 2.126 8.982 1.00 0.00 C ATOM 658 CG GLU A 44 -5.327 3.393 8.969 1.00 0.00 C ATOM 659 CD GLU A 44 -4.091 3.317 9.880 1.00 0.00 C ATOM 660 OE1 GLU A 44 -4.237 3.051 11.099 1.00 0.00 O ATOM 661 OE2 GLU A 44 -2.963 3.570 9.393 1.00 0.00 O ATOM 0 H GLU A 44 -6.418 2.529 6.574 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.695 0.877 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.221 2.400 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.126 1.675 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.002 3.591 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.943 4.238 9.277 1.00 0.00 H new ATOM 668 N ALA A 45 -7.838 -0.203 7.915 1.00 0.00 N ATOM 669 CA ALA A 45 -8.732 -1.349 8.094 1.00 0.00 C ATOM 670 C ALA A 45 -8.338 -2.549 7.209 1.00 0.00 C ATOM 671 O ALA A 45 -8.348 -3.688 7.680 1.00 0.00 O ATOM 672 CB ALA A 45 -10.184 -0.915 7.849 1.00 0.00 C ATOM 0 H ALA A 45 -8.306 0.617 7.529 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.636 -1.694 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.847 -1.770 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.454 -0.132 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.283 -0.535 6.832 1.00 0.00 H new ATOM 678 N ALA A 46 -7.908 -2.310 5.964 1.00 0.00 N ATOM 679 CA ALA A 46 -7.351 -3.344 5.091 1.00 0.00 C ATOM 680 C ALA A 46 -6.101 -4.003 5.693 1.00 0.00 C ATOM 681 O ALA A 46 -5.965 -5.223 5.636 1.00 0.00 O ATOM 682 CB ALA A 46 -7.037 -2.725 3.730 1.00 0.00 C ATOM 0 H ALA A 46 -7.938 -1.386 5.533 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.092 -4.136 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.621 -3.487 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.952 -2.326 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.314 -1.919 3.855 1.00 0.00 H new ATOM 688 N ALA A 47 -5.199 -3.224 6.298 1.00 0.00 N ATOM 689 CA ALA A 47 -3.991 -3.753 6.922 1.00 0.00 C ATOM 690 C ALA A 47 -4.303 -4.621 8.154 1.00 0.00 C ATOM 691 O ALA A 47 -3.634 -5.627 8.363 1.00 0.00 O ATOM 692 CB ALA A 47 -3.056 -2.591 7.258 1.00 0.00 C ATOM 0 H ALA A 47 -5.289 -2.210 6.367 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.492 -4.418 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.150 -2.977 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.795 -2.058 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.556 -1.909 7.945 1.00 0.00 H new ATOM 698 N THR A 48 -5.351 -4.296 8.924 1.00 0.00 N ATOM 699 CA THR A 48 -5.885 -5.161 9.996 1.00 0.00 C ATOM 700 C THR A 48 -6.475 -6.460 9.429 1.00 0.00 C ATOM 701 O THR A 48 -6.183 -7.544 9.943 1.00 0.00 O ATOM 702 CB THR A 48 -6.966 -4.423 10.813 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.497 -3.175 11.276 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.398 -5.200 12.059 1.00 0.00 C ATOM 0 H THR A 48 -5.860 -3.418 8.823 1.00 0.00 H new ATOM 0 HA THR A 48 -5.049 -5.412 10.649 1.00 0.00 H new ATOM 0 HB THR A 48 -7.806 -4.309 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.694 -3.309 11.821 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.160 -4.634 12.595 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.806 -6.166 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.536 -5.354 12.709 1.00 0.00 H new ATOM 712 N ARG A 49 -7.270 -6.372 8.350 1.00 0.00 N ATOM 713 CA ARG A 49 -7.928 -7.519 7.690 1.00 0.00 C ATOM 714 C ARG A 49 -6.959 -8.479 6.976 1.00 0.00 C ATOM 715 O ARG A 49 -7.291 -9.650 6.791 1.00 0.00 O ATOM 716 CB ARG A 49 -8.984 -6.991 6.702 1.00 0.00 C ATOM 717 CG ARG A 49 -10.187 -6.386 7.438 1.00 0.00 C ATOM 718 CD ARG A 49 -11.086 -5.606 6.475 1.00 0.00 C ATOM 719 NE ARG A 49 -12.285 -5.085 7.159 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.427 -5.719 7.379 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.634 -6.945 6.990 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.401 -5.117 8.002 1.00 0.00 N ATOM 0 H ARG A 49 -7.480 -5.481 7.899 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.393 -8.112 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.535 -6.237 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.321 -7.804 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.762 -7.179 7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.837 -5.725 8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.525 -4.779 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.388 -6.253 5.652 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.228 -4.126 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.901 -7.454 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.529 -7.396 7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.285 -4.155 8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.279 -5.608 8.170 1.00 0.00 H new ATOM 736 N LEU A 50 -5.768 -7.997 6.612 1.00 0.00 N ATOM 737 CA LEU A 50 -4.747 -8.716 5.831 1.00 0.00 C ATOM 738 C LEU A 50 -3.406 -8.842 6.583 1.00 0.00 C ATOM 739 O LEU A 50 -2.386 -9.136 5.966 1.00 0.00 O ATOM 740 CB LEU A 50 -4.564 -8.003 4.467 1.00 0.00 C ATOM 741 CG LEU A 50 -5.821 -7.869 3.588 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.516 -7.027 2.347 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.340 -9.226 3.125 1.00 0.00 C ATOM 0 H LEU A 50 -5.472 -7.054 6.863 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.094 -9.737 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.171 -7.004 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.806 -8.543 3.899 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.583 -7.388 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.414 -6.941 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.189 -6.033 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.727 -7.506 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.227 -9.085 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.569 -9.731 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.595 -9.834 3.993 1.00 0.00 H new ATOM 755 N LYS A 51 -3.367 -8.653 7.909 1.00 0.00 N ATOM 756 CA LYS A 51 -2.130 -8.545 8.715 1.00 0.00 C ATOM 757 C LYS A 51 -1.156 -9.728 8.605 1.00 0.00 C ATOM 758 O LYS A 51 0.057 -9.536 8.686 1.00 0.00 O ATOM 759 CB LYS A 51 -2.539 -8.260 10.173 1.00 0.00 C ATOM 760 CG LYS A 51 -1.378 -7.962 11.142 1.00 0.00 C ATOM 761 CD LYS A 51 -0.482 -6.798 10.688 1.00 0.00 C ATOM 762 CE LYS A 51 0.487 -6.334 11.786 1.00 0.00 C ATOM 763 NZ LYS A 51 1.530 -7.349 12.091 1.00 0.00 N ATOM 0 H LYS A 51 -4.214 -8.568 8.471 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.546 -7.722 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.223 -7.411 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.093 -9.119 10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.787 -7.733 12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.768 -8.858 11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.088 -7.104 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.109 -5.960 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.967 -5.407 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.076 -6.112 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.158 -6.988 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.076 -8.227 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.087 -7.543 11.234 1.00 0.00 H new ATOM 777 N GLY A 52 -1.677 -10.932 8.366 1.00 0.00 N ATOM 778 CA GLY A 52 -0.908 -12.164 8.123 1.00 0.00 C ATOM 779 C GLY A 52 -1.047 -12.698 6.692 1.00 0.00 C ATOM 780 O GLY A 52 -0.826 -13.888 6.461 1.00 0.00 O ATOM 0 H GLY A 52 -2.685 -11.087 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.145 -11.973 8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.237 -12.932 8.823 1.00 0.00 H new ATOM 784 N ILE A 53 -1.445 -11.832 5.747 1.00 0.00 N ATOM 785 CA ILE A 53 -1.835 -12.193 4.372 1.00 0.00 C ATOM 786 C ILE A 53 -1.168 -11.280 3.328 1.00 0.00 C ATOM 787 O ILE A 53 -0.625 -11.780 2.345 1.00 0.00 O ATOM 788 CB ILE A 53 -3.381 -12.159 4.230 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.122 -12.852 5.405 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.807 -12.803 2.898 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.652 -12.884 5.298 1.00 0.00 C ATOM 0 H ILE A 53 -1.507 -10.829 5.923 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.484 -13.207 4.180 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.667 -11.108 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.760 -13.877 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.851 -12.345 6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.893 -12.773 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.361 -12.254 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.469 -13.839 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.067 -13.390 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.035 -11.864 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.942 -13.420 4.395 1.00 0.00 H new ATOM 803 N VAL A 54 -1.174 -9.956 3.545 1.00 0.00 N ATOM 804 CA VAL A 54 -0.587 -8.921 2.667 1.00 0.00 C ATOM 805 C VAL A 54 -0.087 -7.726 3.515 1.00 0.00 C ATOM 806 O VAL A 54 -0.906 -6.962 4.033 1.00 0.00 O ATOM 807 CB VAL A 54 -1.591 -8.393 1.609 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.854 -7.534 0.573 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.323 -9.492 0.832 1.00 0.00 C ATOM 0 H VAL A 54 -1.608 -9.554 4.376 1.00 0.00 H new ATOM 0 HA VAL A 54 0.241 -9.394 2.140 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.329 -7.827 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.565 -7.167 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.380 -6.689 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.093 -8.136 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.005 -9.037 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.597 -10.109 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.889 -10.113 1.526 1.00 0.00 H new ATOM 819 N PRO A 55 1.236 -7.558 3.712 1.00 0.00 N ATOM 820 CA PRO A 55 1.814 -6.346 4.298 1.00 0.00 C ATOM 821 C PRO A 55 1.405 -5.079 3.528 1.00 0.00 C ATOM 822 O PRO A 55 1.538 -5.029 2.301 1.00 0.00 O ATOM 823 CB PRO A 55 3.332 -6.551 4.260 1.00 0.00 C ATOM 824 CG PRO A 55 3.491 -8.066 4.246 1.00 0.00 C ATOM 825 CD PRO A 55 2.270 -8.542 3.461 1.00 0.00 C ATOM 0 HA PRO A 55 1.451 -6.195 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.776 -6.094 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.818 -6.105 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.421 -8.368 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.506 -8.478 5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.492 -8.614 2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.956 -9.533 3.788 1.00 0.00 H new ATOM 833 N LEU A 56 0.964 -4.044 4.251 1.00 0.00 N ATOM 834 CA LEU A 56 0.538 -2.738 3.726 1.00 0.00 C ATOM 835 C LEU A 56 1.394 -1.619 4.355 1.00 0.00 C ATOM 836 O LEU A 56 1.774 -1.712 5.529 1.00 0.00 O ATOM 837 CB LEU A 56 -0.961 -2.520 4.021 1.00 0.00 C ATOM 838 CG LEU A 56 -1.927 -2.824 2.859 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.004 -4.296 2.467 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.338 -2.388 3.245 1.00 0.00 C ATOM 0 H LEU A 56 0.890 -4.095 5.267 1.00 0.00 H new ATOM 0 HA LEU A 56 0.681 -2.714 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.239 -3.143 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.105 -1.483 4.325 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.530 -2.275 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.707 -4.417 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.018 -4.642 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.342 -4.883 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.022 -2.602 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.656 -2.932 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.344 -1.318 3.453 1.00 0.00 H new ATOM 852 N ALA A 57 1.656 -0.547 3.603 1.00 0.00 N ATOM 853 CA ALA A 57 2.521 0.563 4.011 1.00 0.00 C ATOM 854 C ALA A 57 2.064 1.928 3.461 1.00 0.00 C ATOM 855 O ALA A 57 1.368 1.994 2.452 1.00 0.00 O ATOM 856 CB ALA A 57 3.950 0.264 3.553 1.00 0.00 C ATOM 0 H ALA A 57 1.263 -0.424 2.670 1.00 0.00 H new ATOM 0 HA ALA A 57 2.466 0.641 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.606 1.082 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.294 -0.662 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.970 0.158 2.468 1.00 0.00 H new ATOM 862 N LYS A 58 2.519 3.029 4.067 1.00 0.00 N ATOM 863 CA LYS A 58 2.242 4.409 3.622 1.00 0.00 C ATOM 864 C LYS A 58 3.534 5.235 3.536 1.00 0.00 C ATOM 865 O LYS A 58 4.428 5.061 4.365 1.00 0.00 O ATOM 866 CB LYS A 58 1.176 5.053 4.528 1.00 0.00 C ATOM 867 CG LYS A 58 1.697 5.430 5.928 1.00 0.00 C ATOM 868 CD LYS A 58 0.642 6.031 6.861 1.00 0.00 C ATOM 869 CE LYS A 58 -0.320 4.963 7.396 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.043 5.434 8.604 1.00 0.00 N ATOM 0 H LYS A 58 3.105 2.990 4.901 1.00 0.00 H new ATOM 0 HA LYS A 58 1.834 4.383 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.791 5.948 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.339 4.363 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.113 4.539 6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.514 6.143 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.136 6.527 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.077 6.794 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.039 4.699 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.237 4.057 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.733 4.714 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.363 5.597 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.540 6.321 8.387 1.00 0.00 H new ATOM 884 N VAL A 59 3.616 6.131 2.547 1.00 0.00 N ATOM 885 CA VAL A 59 4.784 6.993 2.283 1.00 0.00 C ATOM 886 C VAL A 59 4.338 8.378 1.787 1.00 0.00 C ATOM 887 O VAL A 59 3.635 8.491 0.782 1.00 0.00 O ATOM 888 CB VAL A 59 5.725 6.348 1.237 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.938 7.240 0.931 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.282 4.993 1.684 1.00 0.00 C ATOM 0 H VAL A 59 2.853 6.285 1.887 1.00 0.00 H new ATOM 0 HA VAL A 59 5.327 7.108 3.221 1.00 0.00 H new ATOM 0 HB VAL A 59 5.099 6.219 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.573 6.750 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.596 8.197 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.507 7.406 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.934 4.593 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.850 5.119 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.458 4.301 1.858 1.00 0.00 H new ATOM 900 N ASP A 60 4.762 9.439 2.477 1.00 0.00 N ATOM 901 CA ASP A 60 4.523 10.836 2.078 1.00 0.00 C ATOM 902 C ASP A 60 5.362 11.233 0.844 1.00 0.00 C ATOM 903 O ASP A 60 6.577 11.411 0.953 1.00 0.00 O ATOM 904 CB ASP A 60 4.855 11.781 3.244 1.00 0.00 C ATOM 905 CG ASP A 60 3.848 11.690 4.399 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.831 12.427 4.370 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.105 10.929 5.364 1.00 0.00 O ATOM 0 H ASP A 60 5.291 9.354 3.345 1.00 0.00 H new ATOM 0 HA ASP A 60 3.469 10.924 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.851 11.549 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.884 12.806 2.876 1.00 0.00 H new ATOM 912 N CYS A 61 4.745 11.433 -0.321 1.00 0.00 N ATOM 913 CA CYS A 61 5.372 11.966 -1.539 1.00 0.00 C ATOM 914 C CYS A 61 5.990 13.373 -1.375 1.00 0.00 C ATOM 915 O CYS A 61 7.000 13.684 -2.012 1.00 0.00 O ATOM 916 CB CYS A 61 4.312 11.942 -2.655 1.00 0.00 C ATOM 917 SG CYS A 61 4.884 12.456 -4.296 1.00 0.00 S ATOM 0 H CYS A 61 3.756 11.221 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 61 6.223 11.333 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.914 10.930 -2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.486 12.589 -2.360 1.00 0.00 H new ATOM 0 HG CYS A 61 3.898 12.388 -5.140 1.00 0.00 H new ATOM 923 N THR A 62 5.447 14.214 -0.487 1.00 0.00 N ATOM 924 CA THR A 62 6.036 15.525 -0.140 1.00 0.00 C ATOM 925 C THR A 62 7.320 15.423 0.691 1.00 0.00 C ATOM 926 O THR A 62 8.138 16.346 0.652 1.00 0.00 O ATOM 927 CB THR A 62 5.052 16.395 0.649 1.00 0.00 C ATOM 928 OG1 THR A 62 4.616 15.687 1.787 1.00 0.00 O ATOM 929 CG2 THR A 62 3.817 16.768 -0.169 1.00 0.00 C ATOM 0 H THR A 62 4.584 14.009 0.016 1.00 0.00 H new ATOM 0 HA THR A 62 6.274 15.976 -1.103 1.00 0.00 H new ATOM 0 HB THR A 62 5.579 17.310 0.918 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.409 16.319 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.152 17.384 0.436 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.122 17.325 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.294 15.861 -0.473 1.00 0.00 H new ATOM 937 N ALA A 63 7.515 14.309 1.412 1.00 0.00 N ATOM 938 CA ALA A 63 8.698 14.064 2.255 1.00 0.00 C ATOM 939 C ALA A 63 9.685 13.015 1.689 1.00 0.00 C ATOM 940 O ALA A 63 10.809 12.902 2.183 1.00 0.00 O ATOM 941 CB ALA A 63 8.221 13.685 3.662 1.00 0.00 C ATOM 0 H ALA A 63 6.845 13.540 1.427 1.00 0.00 H new ATOM 0 HA ALA A 63 9.277 14.987 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.084 13.500 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.630 14.501 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.609 12.785 3.608 1.00 0.00 H new ATOM 947 N ASN A 64 9.295 12.273 0.642 1.00 0.00 N ATOM 948 CA ASN A 64 10.069 11.193 0.009 1.00 0.00 C ATOM 949 C ASN A 64 9.990 11.251 -1.530 1.00 0.00 C ATOM 950 O ASN A 64 9.813 10.275 -2.255 1.00 0.00 O ATOM 951 CB ASN A 64 9.600 9.840 0.504 1.00 0.00 C ATOM 952 CG ASN A 64 9.558 9.687 2.017 1.00 0.00 C ATOM 953 OD1 ASN A 64 10.509 9.257 2.656 1.00 0.00 O ATOM 954 ND2 ASN A 64 8.451 10.026 2.635 1.00 0.00 N ATOM 0 H ASN A 64 8.391 12.415 0.193 1.00 0.00 H new ATOM 0 HA ASN A 64 11.112 11.336 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.603 9.651 0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.257 9.073 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.383 9.931 3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.659 10.384 2.102 1.00 0.00 H new ATOM 961 N THR A 65 10.079 12.477 -1.995 1.00 0.00 N ATOM 962 CA THR A 65 9.823 12.940 -3.374 1.00 0.00 C ATOM 963 C THR A 65 10.752 12.253 -4.367 1.00 0.00 C ATOM 964 O THR A 65 10.335 11.883 -5.465 1.00 0.00 O ATOM 965 CB THR A 65 9.973 14.473 -3.462 1.00 0.00 C ATOM 966 OG1 THR A 65 9.297 15.094 -2.388 1.00 0.00 O ATOM 967 CG2 THR A 65 9.410 15.071 -4.747 1.00 0.00 C ATOM 0 H THR A 65 10.352 13.248 -1.386 1.00 0.00 H new ATOM 0 HA THR A 65 8.799 12.673 -3.636 1.00 0.00 H new ATOM 0 HB THR A 65 11.047 14.657 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.457 14.621 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.551 16.152 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.930 14.645 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.346 14.845 -4.818 1.00 0.00 H new ATOM 975 N ASN A 66 11.988 12.007 -3.937 1.00 0.00 N ATOM 976 CA ASN A 66 13.035 11.301 -4.672 1.00 0.00 C ATOM 977 C ASN A 66 12.686 9.849 -5.025 1.00 0.00 C ATOM 978 O ASN A 66 12.946 9.397 -6.144 1.00 0.00 O ATOM 979 CB ASN A 66 14.311 11.437 -3.816 1.00 0.00 C ATOM 980 CG ASN A 66 14.280 10.847 -2.401 1.00 0.00 C ATOM 981 OD1 ASN A 66 13.304 10.296 -1.909 1.00 0.00 O ATOM 982 ND2 ASN A 66 15.360 10.998 -1.675 1.00 0.00 N ATOM 0 H ASN A 66 12.303 12.312 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 66 13.174 11.747 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.132 10.967 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.549 12.497 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.380 10.658 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.181 11.455 -2.071 1.00 0.00 H new ATOM 989 N THR A 67 12.032 9.139 -4.103 1.00 0.00 N ATOM 990 CA THR A 67 11.479 7.803 -4.339 1.00 0.00 C ATOM 991 C THR A 67 10.252 7.905 -5.248 1.00 0.00 C ATOM 992 O THR A 67 10.141 7.183 -6.234 1.00 0.00 O ATOM 993 CB THR A 67 11.103 7.128 -3.004 1.00 0.00 C ATOM 994 OG1 THR A 67 12.233 7.069 -2.154 1.00 0.00 O ATOM 995 CG2 THR A 67 10.604 5.693 -3.177 1.00 0.00 C ATOM 0 H THR A 67 11.869 9.482 -3.156 1.00 0.00 H new ATOM 0 HA THR A 67 12.236 7.190 -4.829 1.00 0.00 H new ATOM 0 HB THR A 67 10.302 7.735 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.984 6.641 -1.308 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.356 5.274 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.716 5.690 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.384 5.090 -3.643 1.00 0.00 H new ATOM 1003 N CYS A 68 9.351 8.849 -4.970 1.00 0.00 N ATOM 1004 CA CYS A 68 8.044 8.930 -5.623 1.00 0.00 C ATOM 1005 C CYS A 68 8.102 9.400 -7.088 1.00 0.00 C ATOM 1006 O CYS A 68 7.276 8.970 -7.893 1.00 0.00 O ATOM 1007 CB CYS A 68 7.143 9.815 -4.765 1.00 0.00 C ATOM 1008 SG CYS A 68 6.820 9.095 -3.134 1.00 0.00 S ATOM 0 H CYS A 68 9.509 9.584 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 68 7.631 7.924 -5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.609 10.793 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.197 9.976 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 68 6.083 8.032 -3.267 1.00 0.00 H new ATOM 1014 N ASN A 69 9.088 10.224 -7.468 1.00 0.00 N ATOM 1015 CA ASN A 69 9.279 10.642 -8.868 1.00 0.00 C ATOM 1016 C ASN A 69 9.985 9.555 -9.693 1.00 0.00 C ATOM 1017 O ASN A 69 9.634 9.336 -10.855 1.00 0.00 O ATOM 1018 CB ASN A 69 10.042 11.978 -8.920 1.00 0.00 C ATOM 1019 CG ASN A 69 9.132 13.154 -8.618 1.00 0.00 C ATOM 1020 OD1 ASN A 69 8.863 14.004 -9.455 1.00 0.00 O ATOM 1021 ND2 ASN A 69 8.594 13.215 -7.423 1.00 0.00 N ATOM 0 H ASN A 69 9.772 10.618 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 69 8.298 10.789 -9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.861 11.958 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.487 12.105 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.951 13.972 -7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.819 12.506 -6.726 1.00 0.00 H new ATOM 1028 N LYS A 70 10.910 8.807 -9.071 1.00 0.00 N ATOM 1029 CA LYS A 70 11.505 7.589 -9.654 1.00 0.00 C ATOM 1030 C LYS A 70 10.455 6.480 -9.846 1.00 0.00 C ATOM 1031 O LYS A 70 10.556 5.684 -10.778 1.00 0.00 O ATOM 1032 CB LYS A 70 12.683 7.138 -8.767 1.00 0.00 C ATOM 1033 CG LYS A 70 13.479 5.959 -9.354 1.00 0.00 C ATOM 1034 CD LYS A 70 14.788 5.686 -8.599 1.00 0.00 C ATOM 1035 CE LYS A 70 14.550 5.304 -7.130 1.00 0.00 C ATOM 1036 NZ LYS A 70 15.831 4.978 -6.444 1.00 0.00 N ATOM 0 H LYS A 70 11.270 9.030 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 70 11.884 7.810 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.357 7.981 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.301 6.855 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.859 5.062 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.705 6.165 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.330 4.882 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.421 6.572 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.057 6.127 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.878 4.447 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.640 4.724 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.288 4.177 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.461 5.805 -6.474 1.00 0.00 H new ATOM 1050 N TYR A 71 9.429 6.459 -8.984 1.00 0.00 N ATOM 1051 CA TYR A 71 8.344 5.455 -8.982 1.00 0.00 C ATOM 1052 C TYR A 71 7.133 5.875 -9.839 1.00 0.00 C ATOM 1053 O TYR A 71 6.207 5.087 -10.046 1.00 0.00 O ATOM 1054 CB TYR A 71 7.913 5.175 -7.533 1.00 0.00 C ATOM 1055 CG TYR A 71 8.815 4.250 -6.719 1.00 0.00 C ATOM 1056 CD1 TYR A 71 10.186 4.092 -7.008 1.00 0.00 C ATOM 1057 CD2 TYR A 71 8.253 3.544 -5.640 1.00 0.00 C ATOM 1058 CE1 TYR A 71 10.982 3.221 -6.239 1.00 0.00 C ATOM 1059 CE2 TYR A 71 9.044 2.668 -4.867 1.00 0.00 C ATOM 1060 CZ TYR A 71 10.411 2.500 -5.164 1.00 0.00 C ATOM 1061 OH TYR A 71 11.175 1.651 -4.423 1.00 0.00 O ATOM 0 H TYR A 71 9.324 7.156 -8.247 1.00 0.00 H new ATOM 0 HA TYR A 71 8.736 4.546 -9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.840 6.128 -7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.912 4.744 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.629 4.643 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.208 3.674 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.030 3.103 -6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.601 2.125 -4.046 1.00 0.00 H new ATOM 0 HH TYR A 71 10.878 1.674 -3.489 1.00 0.00 H new ATOM 1071 N GLY A 72 7.147 7.113 -10.340 1.00 0.00 N ATOM 1072 CA GLY A 72 6.122 7.683 -11.222 1.00 0.00 C ATOM 1073 C GLY A 72 4.769 7.935 -10.539 1.00 0.00 C ATOM 1074 O GLY A 72 3.724 7.802 -11.181 1.00 0.00 O ATOM 0 H GLY A 72 7.899 7.771 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.492 8.625 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.970 7.010 -12.066 1.00 0.00 H new ATOM 1078 N VAL A 73 4.769 8.253 -9.237 1.00 0.00 N ATOM 1079 CA VAL A 73 3.554 8.481 -8.420 1.00 0.00 C ATOM 1080 C VAL A 73 2.707 9.631 -8.984 1.00 0.00 C ATOM 1081 O VAL A 73 1.525 9.432 -9.269 1.00 0.00 O ATOM 1082 CB VAL A 73 3.933 8.712 -6.939 1.00 0.00 C ATOM 1083 CG1 VAL A 73 2.757 9.130 -6.054 1.00 0.00 C ATOM 1084 CG2 VAL A 73 4.530 7.433 -6.342 1.00 0.00 C ATOM 0 H VAL A 73 5.631 8.363 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 73 2.936 7.585 -8.467 1.00 0.00 H new ATOM 0 HB VAL A 73 4.652 9.531 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.104 9.273 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.335 10.063 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.993 8.353 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.793 7.607 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.798 6.627 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.424 7.154 -6.900 1.00 0.00 H new ATOM 1094 N SER A 74 3.320 10.803 -9.196 1.00 0.00 N ATOM 1095 CA SER A 74 2.784 11.985 -9.914 1.00 0.00 C ATOM 1096 C SER A 74 1.404 12.533 -9.470 1.00 0.00 C ATOM 1097 O SER A 74 0.827 13.384 -10.154 1.00 0.00 O ATOM 1098 CB SER A 74 2.816 11.727 -11.426 1.00 0.00 C ATOM 1099 OG SER A 74 4.131 11.373 -11.852 1.00 0.00 O ATOM 0 H SER A 74 4.265 10.970 -8.851 1.00 0.00 H new ATOM 0 HA SER A 74 3.457 12.794 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.120 10.927 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.484 12.618 -11.959 1.00 0.00 H new ATOM 0 HG SER A 74 4.129 11.211 -12.819 1.00 0.00 H new ATOM 1105 N GLY A 75 0.862 12.077 -8.339 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.458 12.376 -7.800 1.00 0.00 C ATOM 1107 C GLY A 75 -0.805 11.338 -6.728 1.00 0.00 C ATOM 1108 O GLY A 75 -0.107 10.338 -6.566 1.00 0.00 O ATOM 0 H GLY A 75 1.378 11.440 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.472 13.378 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.203 12.359 -8.596 1.00 0.00 H new ATOM 1112 N TYR A 76 -1.873 11.575 -5.970 1.00 0.00 N ATOM 1113 CA TYR A 76 -2.230 10.761 -4.795 1.00 0.00 C ATOM 1114 C TYR A 76 -3.741 10.785 -4.454 1.00 0.00 C ATOM 1115 O TYR A 76 -4.443 11.727 -4.850 1.00 0.00 O ATOM 1116 CB TYR A 76 -1.370 11.175 -3.579 1.00 0.00 C ATOM 1117 CG TYR A 76 -0.695 12.534 -3.631 1.00 0.00 C ATOM 1118 CD1 TYR A 76 -1.410 13.693 -3.273 1.00 0.00 C ATOM 1119 CD2 TYR A 76 0.638 12.639 -4.080 1.00 0.00 C ATOM 1120 CE1 TYR A 76 -0.813 14.963 -3.404 1.00 0.00 C ATOM 1121 CE2 TYR A 76 1.241 13.903 -4.198 1.00 0.00 C ATOM 1122 CZ TYR A 76 0.520 15.070 -3.872 1.00 0.00 C ATOM 1123 OH TYR A 76 1.100 16.290 -4.004 1.00 0.00 O ATOM 0 H TYR A 76 -2.523 12.340 -6.149 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.011 9.725 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.004 11.148 -2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.596 10.420 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.419 13.609 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.195 11.749 -4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.370 15.852 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.262 13.981 -4.540 1.00 0.00 H new ATOM 0 HH TYR A 76 2.016 16.183 -4.335 1.00 0.00 H new ATOM 1133 N PRO A 77 -4.251 9.779 -3.697 1.00 0.00 N ATOM 1134 CA PRO A 77 -3.542 8.581 -3.224 1.00 0.00 C ATOM 1135 C PRO A 77 -3.241 7.590 -4.363 1.00 0.00 C ATOM 1136 O PRO A 77 -4.079 7.359 -5.241 1.00 0.00 O ATOM 1137 CB PRO A 77 -4.460 7.941 -2.173 1.00 0.00 C ATOM 1138 CG PRO A 77 -5.856 8.390 -2.594 1.00 0.00 C ATOM 1139 CD PRO A 77 -5.628 9.767 -3.224 1.00 0.00 C ATOM 0 HA PRO A 77 -2.570 8.851 -2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.372 6.855 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.216 8.282 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.301 7.694 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.531 8.449 -1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.323 9.938 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.795 10.560 -2.495 1.00 0.00 H new ATOM 1147 N THR A 78 -2.053 6.984 -4.325 1.00 0.00 N ATOM 1148 CA THR A 78 -1.493 6.145 -5.399 1.00 0.00 C ATOM 1149 C THR A 78 -0.949 4.839 -4.816 1.00 0.00 C ATOM 1150 O THR A 78 0.062 4.837 -4.115 1.00 0.00 O ATOM 1151 CB THR A 78 -0.420 6.914 -6.180 1.00 0.00 C ATOM 1152 OG1 THR A 78 -1.075 7.889 -6.961 1.00 0.00 O ATOM 1153 CG2 THR A 78 0.378 6.051 -7.162 1.00 0.00 C ATOM 0 H THR A 78 -1.430 7.063 -3.522 1.00 0.00 H new ATOM 0 HA THR A 78 -2.285 5.890 -6.104 1.00 0.00 H new ATOM 0 HB THR A 78 0.273 7.317 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.553 8.718 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.115 6.669 -7.674 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.887 5.256 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.299 5.613 -7.895 1.00 0.00 H new ATOM 1161 N LEU A 79 -1.642 3.728 -5.084 1.00 0.00 N ATOM 1162 CA LEU A 79 -1.320 2.410 -4.524 1.00 0.00 C ATOM 1163 C LEU A 79 -0.494 1.540 -5.495 1.00 0.00 C ATOM 1164 O LEU A 79 -0.833 1.425 -6.679 1.00 0.00 O ATOM 1165 CB LEU A 79 -2.621 1.693 -4.112 1.00 0.00 C ATOM 1166 CG LEU A 79 -3.329 2.285 -2.874 1.00 0.00 C ATOM 1167 CD1 LEU A 79 -4.312 3.411 -3.216 1.00 0.00 C ATOM 1168 CD2 LEU A 79 -4.145 1.200 -2.173 1.00 0.00 C ATOM 0 H LEU A 79 -2.452 3.718 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.695 2.565 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.313 1.717 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.394 0.645 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.533 2.684 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.774 3.781 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.777 4.224 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.085 3.029 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.642 1.625 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.893 0.806 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.483 0.394 -1.857 1.00 0.00 H new ATOM 1180 N LYS A 80 0.569 0.891 -4.999 1.00 0.00 N ATOM 1181 CA LYS A 80 1.514 0.055 -5.774 1.00 0.00 C ATOM 1182 C LYS A 80 1.886 -1.259 -5.066 1.00 0.00 C ATOM 1183 O LYS A 80 1.657 -1.427 -3.870 1.00 0.00 O ATOM 1184 CB LYS A 80 2.778 0.865 -6.135 1.00 0.00 C ATOM 1185 CG LYS A 80 2.499 2.043 -7.088 1.00 0.00 C ATOM 1186 CD LYS A 80 3.784 2.695 -7.630 1.00 0.00 C ATOM 1187 CE LYS A 80 4.521 1.767 -8.611 1.00 0.00 C ATOM 1188 NZ LYS A 80 5.796 2.362 -9.090 1.00 0.00 N ATOM 0 H LYS A 80 0.809 0.932 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 80 0.998 -0.232 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.229 1.247 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.508 0.199 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.896 1.691 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.909 2.795 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.534 3.630 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.444 2.945 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.726 0.814 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.876 1.556 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.201 1.761 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.614 3.312 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.467 2.430 -8.298 1.00 0.00 H new ATOM 1202 N ILE A 81 2.438 -2.199 -5.839 1.00 0.00 N ATOM 1203 CA ILE A 81 2.693 -3.600 -5.466 1.00 0.00 C ATOM 1204 C ILE A 81 4.142 -3.984 -5.777 1.00 0.00 C ATOM 1205 O ILE A 81 4.642 -3.729 -6.876 1.00 0.00 O ATOM 1206 CB ILE A 81 1.714 -4.539 -6.213 1.00 0.00 C ATOM 1207 CG1 ILE A 81 0.272 -4.251 -5.760 1.00 0.00 C ATOM 1208 CG2 ILE A 81 2.034 -6.024 -5.963 1.00 0.00 C ATOM 1209 CD1 ILE A 81 -0.787 -5.026 -6.553 1.00 0.00 C ATOM 0 H ILE A 81 2.736 -1.996 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 81 2.532 -3.708 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 81 1.824 -4.345 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.176 -4.499 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.076 -3.183 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.322 -6.646 -6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.044 -6.242 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.962 -6.237 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.779 -4.773 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.718 -4.760 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.617 -6.096 -6.437 1.00 0.00 H new ATOM 1221 N PHE A 82 4.773 -4.669 -4.823 1.00 0.00 N ATOM 1222 CA PHE A 82 6.185 -5.069 -4.858 1.00 0.00 C ATOM 1223 C PHE A 82 6.362 -6.543 -4.454 1.00 0.00 C ATOM 1224 O PHE A 82 6.477 -6.872 -3.274 1.00 0.00 O ATOM 1225 CB PHE A 82 7.032 -4.136 -3.981 1.00 0.00 C ATOM 1226 CG PHE A 82 7.065 -2.699 -4.460 1.00 0.00 C ATOM 1227 CD1 PHE A 82 6.003 -1.823 -4.162 1.00 0.00 C ATOM 1228 CD2 PHE A 82 8.137 -2.248 -5.247 1.00 0.00 C ATOM 1229 CE1 PHE A 82 6.001 -0.517 -4.681 1.00 0.00 C ATOM 1230 CE2 PHE A 82 8.134 -0.943 -5.770 1.00 0.00 C ATOM 1231 CZ PHE A 82 7.056 -0.083 -5.500 1.00 0.00 C ATOM 0 H PHE A 82 4.300 -4.973 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 82 6.538 -4.976 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.643 -4.160 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.052 -4.518 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.190 -2.155 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.968 -2.907 -5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.187 0.154 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.959 -0.602 -6.378 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.039 0.911 -5.922 1.00 0.00 H new ATOM 1241 N ARG A 83 6.340 -7.440 -5.444 1.00 0.00 N ATOM 1242 CA ARG A 83 6.568 -8.889 -5.285 1.00 0.00 C ATOM 1243 C ARG A 83 8.003 -9.163 -4.818 1.00 0.00 C ATOM 1244 O ARG A 83 8.962 -8.700 -5.436 1.00 0.00 O ATOM 1245 CB ARG A 83 6.230 -9.618 -6.602 1.00 0.00 C ATOM 1246 CG ARG A 83 6.248 -11.143 -6.419 1.00 0.00 C ATOM 1247 CD ARG A 83 5.845 -11.860 -7.714 1.00 0.00 C ATOM 1248 NE ARG A 83 5.829 -13.326 -7.522 1.00 0.00 N ATOM 1249 CZ ARG A 83 5.408 -14.233 -8.386 1.00 0.00 C ATOM 1250 NH1 ARG A 83 4.943 -13.922 -9.565 1.00 0.00 N ATOM 1251 NH2 ARG A 83 5.453 -15.499 -8.076 1.00 0.00 N ATOM 0 H ARG A 83 6.158 -7.174 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 83 5.906 -9.279 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.247 -9.304 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.948 -9.334 -7.372 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.245 -11.464 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.566 -11.424 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.859 -11.520 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.543 -11.601 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 83 6.180 -13.674 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.894 -12.944 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.629 -14.656 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.813 -15.789 -7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.128 -16.199 -8.743 1.00 0.00 H new ATOM 1265 N ASP A 84 8.147 -9.897 -3.718 1.00 0.00 N ATOM 1266 CA ASP A 84 9.422 -10.163 -3.027 1.00 0.00 C ATOM 1267 C ASP A 84 10.280 -8.892 -2.767 1.00 0.00 C ATOM 1268 O ASP A 84 11.513 -8.947 -2.733 1.00 0.00 O ATOM 1269 CB ASP A 84 10.159 -11.283 -3.787 1.00 0.00 C ATOM 1270 CG ASP A 84 11.318 -11.914 -2.989 1.00 0.00 C ATOM 1271 OD1 ASP A 84 11.100 -12.341 -1.831 1.00 0.00 O ATOM 1272 OD2 ASP A 84 12.436 -12.055 -3.546 1.00 0.00 O ATOM 0 H ASP A 84 7.353 -10.344 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 84 9.212 -10.508 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.444 -12.063 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.550 -10.880 -4.721 1.00 0.00 H new ATOM 1277 N GLY A 85 9.634 -7.726 -2.623 1.00 0.00 N ATOM 1278 CA GLY A 85 10.288 -6.431 -2.400 1.00 0.00 C ATOM 1279 C GLY A 85 10.795 -5.721 -3.672 1.00 0.00 C ATOM 1280 O GLY A 85 11.661 -4.848 -3.578 1.00 0.00 O ATOM 0 H GLY A 85 8.617 -7.657 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.586 -5.771 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.132 -6.580 -1.726 1.00 0.00 H new ATOM 1284 N GLU A 86 10.269 -6.065 -4.851 1.00 0.00 N ATOM 1285 CA GLU A 86 10.625 -5.486 -6.155 1.00 0.00 C ATOM 1286 C GLU A 86 9.358 -5.267 -7.005 1.00 0.00 C ATOM 1287 O GLU A 86 8.415 -6.055 -6.934 1.00 0.00 O ATOM 1288 CB GLU A 86 11.604 -6.401 -6.913 1.00 0.00 C ATOM 1289 CG GLU A 86 12.971 -6.540 -6.231 1.00 0.00 C ATOM 1290 CD GLU A 86 13.946 -7.344 -7.110 1.00 0.00 C ATOM 1291 OE1 GLU A 86 13.949 -8.599 -7.047 1.00 0.00 O ATOM 1292 OE2 GLU A 86 14.729 -6.727 -7.876 1.00 0.00 O ATOM 0 H GLU A 86 9.552 -6.786 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 86 11.111 -4.527 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.157 -7.390 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.748 -6.009 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.385 -5.551 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.852 -7.035 -5.267 1.00 0.00 H new ATOM 1299 N GLU A 87 9.311 -4.183 -7.787 1.00 0.00 N ATOM 1300 CA GLU A 87 8.094 -3.721 -8.481 1.00 0.00 C ATOM 1301 C GLU A 87 7.406 -4.818 -9.320 1.00 0.00 C ATOM 1302 O GLU A 87 8.010 -5.383 -10.240 1.00 0.00 O ATOM 1303 CB GLU A 87 8.420 -2.489 -9.341 1.00 0.00 C ATOM 1304 CG GLU A 87 7.164 -1.868 -9.969 1.00 0.00 C ATOM 1305 CD GLU A 87 7.534 -0.670 -10.865 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.037 -0.890 -11.995 1.00 0.00 O ATOM 1307 OE2 GLU A 87 7.320 0.497 -10.452 1.00 0.00 O ATOM 0 H GLU A 87 10.124 -3.592 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 87 7.373 -3.449 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.923 -1.743 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.116 -2.773 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.637 -2.619 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.482 -1.543 -9.183 1.00 0.00 H new ATOM 1314 N ALA A 88 6.121 -5.071 -9.042 1.00 0.00 N ATOM 1315 CA ALA A 88 5.258 -5.913 -9.872 1.00 0.00 C ATOM 1316 C ALA A 88 4.404 -5.051 -10.818 1.00 0.00 C ATOM 1317 O ALA A 88 4.197 -5.415 -11.978 1.00 0.00 O ATOM 1318 CB ALA A 88 4.387 -6.763 -8.945 1.00 0.00 C ATOM 0 H ALA A 88 5.647 -4.690 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 88 5.861 -6.567 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.734 -7.400 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.024 -7.385 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.781 -6.111 -8.316 1.00 0.00 H new ATOM 1324 N GLY A 89 3.951 -3.887 -10.334 1.00 0.00 N ATOM 1325 CA GLY A 89 3.328 -2.849 -11.159 1.00 0.00 C ATOM 1326 C GLY A 89 2.543 -1.843 -10.322 1.00 0.00 C ATOM 1327 O GLY A 89 3.105 -0.877 -9.807 1.00 0.00 O ATOM 0 H GLY A 89 4.009 -3.639 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.099 -2.326 -11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.661 -3.315 -11.884 1.00 0.00 H new ATOM 1331 N ALA A 90 1.245 -2.096 -10.167 1.00 0.00 N ATOM 1332 CA ALA A 90 0.288 -1.199 -9.508 1.00 0.00 C ATOM 1333 C ALA A 90 -0.959 -1.953 -8.997 1.00 0.00 C ATOM 1334 O ALA A 90 -1.311 -3.016 -9.516 1.00 0.00 O ATOM 1335 CB ALA A 90 -0.120 -0.109 -10.510 1.00 0.00 C ATOM 0 H ALA A 90 0.814 -2.956 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 90 0.766 -0.757 -8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.832 0.569 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.763 0.450 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.581 -0.571 -11.383 1.00 0.00 H new ATOM 1341 N TYR A 91 -1.641 -1.376 -8.001 1.00 0.00 N ATOM 1342 CA TYR A 91 -2.953 -1.844 -7.546 1.00 0.00 C ATOM 1343 C TYR A 91 -4.040 -1.660 -8.631 1.00 0.00 C ATOM 1344 O TYR A 91 -3.967 -0.737 -9.450 1.00 0.00 O ATOM 1345 CB TYR A 91 -3.314 -1.100 -6.254 1.00 0.00 C ATOM 1346 CG TYR A 91 -4.706 -1.368 -5.706 1.00 0.00 C ATOM 1347 CD1 TYR A 91 -5.084 -2.677 -5.332 1.00 0.00 C ATOM 1348 CD2 TYR A 91 -5.626 -0.308 -5.593 1.00 0.00 C ATOM 1349 CE1 TYR A 91 -6.393 -2.922 -4.875 1.00 0.00 C ATOM 1350 CE2 TYR A 91 -6.923 -0.546 -5.105 1.00 0.00 C ATOM 1351 CZ TYR A 91 -7.315 -1.859 -4.764 1.00 0.00 C ATOM 1352 OH TYR A 91 -8.575 -2.092 -4.322 1.00 0.00 O ATOM 0 H TYR A 91 -1.295 -0.567 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.903 -2.915 -7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.585 -1.365 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.214 -0.029 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.372 -3.486 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.334 0.691 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.692 -3.925 -4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.618 0.273 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.975 -1.251 -4.016 1.00 0.00 H new ATOM 1362 N ASP A 92 -5.056 -2.532 -8.638 1.00 0.00 N ATOM 1363 CA ASP A 92 -6.113 -2.577 -9.658 1.00 0.00 C ATOM 1364 C ASP A 92 -7.472 -2.982 -9.052 1.00 0.00 C ATOM 1365 O ASP A 92 -7.941 -4.115 -9.195 1.00 0.00 O ATOM 1366 CB ASP A 92 -5.681 -3.493 -10.826 1.00 0.00 C ATOM 1367 CG ASP A 92 -6.704 -3.513 -11.975 1.00 0.00 C ATOM 1368 OD1 ASP A 92 -7.346 -2.470 -12.252 1.00 0.00 O ATOM 1369 OD2 ASP A 92 -6.857 -4.568 -12.637 1.00 0.00 O ATOM 0 H ASP A 92 -5.169 -3.244 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.256 -1.574 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.717 -3.157 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.539 -4.508 -10.453 1.00 0.00 H new ATOM 1374 N GLY A 93 -8.092 -2.045 -8.327 1.00 0.00 N ATOM 1375 CA GLY A 93 -9.414 -2.206 -7.707 1.00 0.00 C ATOM 1376 C GLY A 93 -9.973 -0.903 -7.100 1.00 0.00 C ATOM 1377 O GLY A 93 -9.351 0.157 -7.224 1.00 0.00 O ATOM 0 H GLY A 93 -7.679 -1.130 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.114 -2.578 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.350 -2.963 -6.925 1.00 0.00 H new ATOM 1381 N PRO A 94 -11.156 -0.955 -6.456 1.00 0.00 N ATOM 1382 CA PRO A 94 -11.749 0.184 -5.746 1.00 0.00 C ATOM 1383 C PRO A 94 -10.825 0.795 -4.672 1.00 0.00 C ATOM 1384 O PRO A 94 -10.090 0.077 -3.984 1.00 0.00 O ATOM 1385 CB PRO A 94 -13.026 -0.364 -5.093 1.00 0.00 C ATOM 1386 CG PRO A 94 -13.393 -1.568 -5.959 1.00 0.00 C ATOM 1387 CD PRO A 94 -12.036 -2.113 -6.389 1.00 0.00 C ATOM 0 HA PRO A 94 -11.938 0.996 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.852 -0.655 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.822 0.380 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.965 -2.308 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.000 -1.278 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.664 -2.848 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.102 -2.612 -7.356 1.00 0.00 H new ATOM 1395 N ARG A 95 -10.909 2.117 -4.480 1.00 0.00 N ATOM 1396 CA ARG A 95 -10.273 2.838 -3.356 1.00 0.00 C ATOM 1397 C ARG A 95 -11.104 2.680 -2.072 1.00 0.00 C ATOM 1398 O ARG A 95 -11.752 3.620 -1.608 1.00 0.00 O ATOM 1399 CB ARG A 95 -10.001 4.308 -3.733 1.00 0.00 C ATOM 1400 CG ARG A 95 -8.796 4.464 -4.672 1.00 0.00 C ATOM 1401 CD ARG A 95 -8.517 5.950 -4.949 1.00 0.00 C ATOM 1402 NE ARG A 95 -7.219 6.161 -5.626 1.00 0.00 N ATOM 1403 CZ ARG A 95 -6.972 6.174 -6.924 1.00 0.00 C ATOM 1404 NH1 ARG A 95 -7.881 5.882 -7.814 1.00 0.00 N ATOM 1405 NH2 ARG A 95 -5.790 6.504 -7.357 1.00 0.00 N ATOM 0 H ARG A 95 -11.428 2.731 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.300 2.393 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.886 4.726 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.827 4.886 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.917 4.000 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.989 3.943 -5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.317 6.359 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.527 6.501 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.416 6.315 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.824 5.632 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.648 5.904 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.055 6.752 -6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.598 6.514 -8.359 1.00 0.00 H new ATOM 1419 N THR A 96 -11.101 1.461 -1.535 1.00 0.00 N ATOM 1420 CA THR A 96 -11.768 1.029 -0.293 1.00 0.00 C ATOM 1421 C THR A 96 -11.021 -0.160 0.323 1.00 0.00 C ATOM 1422 O THR A 96 -10.335 -0.892 -0.395 1.00 0.00 O ATOM 1423 CB THR A 96 -13.219 0.564 -0.543 1.00 0.00 C ATOM 1424 OG1 THR A 96 -13.268 -0.539 -1.417 1.00 0.00 O ATOM 1425 CG2 THR A 96 -14.143 1.639 -1.118 1.00 0.00 C ATOM 0 H THR A 96 -10.601 0.692 -1.981 1.00 0.00 H new ATOM 0 HA THR A 96 -11.768 1.893 0.371 1.00 0.00 H new ATOM 0 HB THR A 96 -13.578 0.301 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.201 -0.808 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.140 1.223 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.196 2.481 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.752 1.980 -2.076 1.00 0.00 H new ATOM 1433 N ALA A 97 -11.196 -0.400 1.629 1.00 0.00 N ATOM 1434 CA ALA A 97 -10.686 -1.593 2.313 1.00 0.00 C ATOM 1435 C ALA A 97 -11.139 -2.898 1.642 1.00 0.00 C ATOM 1436 O ALA A 97 -10.353 -3.822 1.441 1.00 0.00 O ATOM 1437 CB ALA A 97 -11.183 -1.563 3.767 1.00 0.00 C ATOM 0 H ALA A 97 -11.701 0.236 2.246 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.597 -1.574 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.815 -2.442 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.814 -0.663 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.273 -1.562 3.779 1.00 0.00 H new ATOM 1443 N ASP A 98 -12.418 -2.947 1.254 1.00 0.00 N ATOM 1444 CA ASP A 98 -13.046 -4.088 0.583 1.00 0.00 C ATOM 1445 C ASP A 98 -12.383 -4.413 -0.755 1.00 0.00 C ATOM 1446 O ASP A 98 -12.243 -5.578 -1.112 1.00 0.00 O ATOM 1447 CB ASP A 98 -14.515 -3.755 0.325 1.00 0.00 C ATOM 1448 CG ASP A 98 -15.345 -5.012 0.010 1.00 0.00 C ATOM 1449 OD1 ASP A 98 -15.460 -5.897 0.890 1.00 0.00 O ATOM 1450 OD2 ASP A 98 -15.916 -5.100 -1.103 1.00 0.00 O ATOM 0 H ASP A 98 -13.063 -2.171 1.403 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.937 -4.956 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.932 -3.255 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.587 -3.055 -0.507 1.00 0.00 H new ATOM 1455 N GLY A 99 -11.947 -3.376 -1.468 1.00 0.00 N ATOM 1456 CA GLY A 99 -11.190 -3.481 -2.710 1.00 0.00 C ATOM 1457 C GLY A 99 -9.856 -4.207 -2.512 1.00 0.00 C ATOM 1458 O GLY A 99 -9.558 -5.150 -3.250 1.00 0.00 O ATOM 0 H GLY A 99 -12.117 -2.410 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.785 -4.013 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.004 -2.483 -3.106 1.00 0.00 H new ATOM 1462 N ILE A 100 -9.090 -3.840 -1.472 1.00 0.00 N ATOM 1463 CA ILE A 100 -7.792 -4.473 -1.166 1.00 0.00 C ATOM 1464 C ILE A 100 -7.967 -5.962 -0.822 1.00 0.00 C ATOM 1465 O ILE A 100 -7.273 -6.823 -1.367 1.00 0.00 O ATOM 1466 CB ILE A 100 -7.058 -3.787 0.013 1.00 0.00 C ATOM 1467 CG1 ILE A 100 -7.162 -2.248 0.074 1.00 0.00 C ATOM 1468 CG2 ILE A 100 -5.583 -4.216 -0.004 1.00 0.00 C ATOM 1469 CD1 ILE A 100 -6.636 -1.486 -1.143 1.00 0.00 C ATOM 0 H ILE A 100 -9.350 -3.099 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.190 -4.361 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.572 -4.124 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.209 -1.981 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.620 -1.903 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.056 -3.739 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.518 -5.299 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.127 -3.915 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.762 -0.415 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.578 -1.710 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.192 -1.789 -2.030 1.00 0.00 H new ATOM 1481 N VAL A 101 -8.929 -6.268 0.059 1.00 0.00 N ATOM 1482 CA VAL A 101 -9.261 -7.642 0.467 1.00 0.00 C ATOM 1483 C VAL A 101 -9.785 -8.452 -0.722 1.00 0.00 C ATOM 1484 O VAL A 101 -9.333 -9.572 -0.940 1.00 0.00 O ATOM 1485 CB VAL A 101 -10.263 -7.634 1.637 1.00 0.00 C ATOM 1486 CG1 VAL A 101 -10.611 -9.053 2.116 1.00 0.00 C ATOM 1487 CG2 VAL A 101 -9.697 -6.885 2.853 1.00 0.00 C ATOM 0 H VAL A 101 -9.506 -5.561 0.514 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.350 -8.129 0.816 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.154 -7.139 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.320 -8.995 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.055 -9.615 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.704 -9.556 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.429 -6.898 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.780 -7.372 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.480 -5.853 2.576 1.00 0.00 H new ATOM 1497 N SER A 102 -10.679 -7.887 -1.540 1.00 0.00 N ATOM 1498 CA SER A 102 -11.203 -8.556 -2.748 1.00 0.00 C ATOM 1499 C SER A 102 -10.105 -8.889 -3.766 1.00 0.00 C ATOM 1500 O SER A 102 -10.071 -10.003 -4.294 1.00 0.00 O ATOM 1501 CB SER A 102 -12.286 -7.720 -3.443 1.00 0.00 C ATOM 1502 OG SER A 102 -13.370 -7.500 -2.567 1.00 0.00 O ATOM 0 H SER A 102 -11.063 -6.954 -1.389 1.00 0.00 H new ATOM 0 HA SER A 102 -11.639 -9.489 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.869 -6.765 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.632 -8.234 -4.340 1.00 0.00 H new ATOM 0 HG SER A 102 -13.068 -6.970 -1.800 1.00 0.00 H new ATOM 1508 N HIS A 103 -9.170 -7.963 -4.007 1.00 0.00 N ATOM 1509 CA HIS A 103 -8.022 -8.160 -4.888 1.00 0.00 C ATOM 1510 C HIS A 103 -7.119 -9.316 -4.416 1.00 0.00 C ATOM 1511 O HIS A 103 -6.533 -10.016 -5.247 1.00 0.00 O ATOM 1512 CB HIS A 103 -7.276 -6.819 -4.973 1.00 0.00 C ATOM 1513 CG HIS A 103 -5.960 -6.870 -5.699 1.00 0.00 C ATOM 1514 ND1 HIS A 103 -5.721 -6.631 -7.036 1.00 0.00 N ATOM 1515 CD2 HIS A 103 -4.761 -7.159 -5.118 1.00 0.00 C ATOM 1516 CE1 HIS A 103 -4.401 -6.785 -7.253 1.00 0.00 C ATOM 1517 NE2 HIS A 103 -3.769 -7.108 -6.108 1.00 0.00 N ATOM 0 H HIS A 103 -9.195 -7.036 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.354 -8.459 -5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.920 -6.093 -5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.102 -6.452 -3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.602 -7.388 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.917 -6.666 -8.211 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.771 -7.281 -5.986 1.00 0.00 H new ATOM 1525 N LEU A 104 -7.032 -9.564 -3.101 1.00 0.00 N ATOM 1526 CA LEU A 104 -6.393 -10.753 -2.531 1.00 0.00 C ATOM 1527 C LEU A 104 -7.264 -12.015 -2.713 1.00 0.00 C ATOM 1528 O LEU A 104 -6.786 -13.010 -3.253 1.00 0.00 O ATOM 1529 CB LEU A 104 -6.040 -10.463 -1.052 1.00 0.00 C ATOM 1530 CG LEU A 104 -5.311 -11.567 -0.260 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -6.247 -12.669 0.239 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -4.146 -12.177 -1.045 1.00 0.00 C ATOM 0 H LEU A 104 -7.410 -8.933 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.469 -10.970 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.421 -9.566 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.965 -10.228 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.905 -11.062 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.671 -13.414 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.001 -12.236 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.737 -13.143 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.666 -12.949 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.521 -12.618 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.420 -11.399 -1.283 1.00 0.00 H new ATOM 1544 N LYS A 105 -8.540 -12.003 -2.293 1.00 0.00 N ATOM 1545 CA LYS A 105 -9.417 -13.200 -2.328 1.00 0.00 C ATOM 1546 C LYS A 105 -9.528 -13.832 -3.719 1.00 0.00 C ATOM 1547 O LYS A 105 -9.509 -15.053 -3.849 1.00 0.00 O ATOM 1548 CB LYS A 105 -10.829 -12.864 -1.818 1.00 0.00 C ATOM 1549 CG LYS A 105 -10.842 -12.601 -0.311 1.00 0.00 C ATOM 1550 CD LYS A 105 -12.260 -12.421 0.258 1.00 0.00 C ATOM 1551 CE LYS A 105 -13.032 -11.255 -0.384 1.00 0.00 C ATOM 1552 NZ LYS A 105 -14.364 -11.066 0.251 1.00 0.00 N ATOM 0 H LYS A 105 -8.997 -11.171 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.942 -13.928 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.206 -11.986 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.504 -13.688 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.354 -13.431 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.256 -11.707 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.822 -13.343 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.194 -12.255 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.450 -10.338 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.160 -11.445 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.857 -10.272 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.927 -11.933 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.240 -10.860 1.263 1.00 0.00 H new ATOM 1566 N LYS A 106 -9.580 -12.983 -4.752 1.00 0.00 N ATOM 1567 CA LYS A 106 -9.655 -13.341 -6.183 1.00 0.00 C ATOM 1568 C LYS A 106 -8.502 -14.217 -6.701 1.00 0.00 C ATOM 1569 O LYS A 106 -8.652 -14.854 -7.746 1.00 0.00 O ATOM 1570 CB LYS A 106 -9.773 -12.058 -7.026 1.00 0.00 C ATOM 1571 CG LYS A 106 -11.197 -11.481 -6.971 1.00 0.00 C ATOM 1572 CD LYS A 106 -11.250 -10.110 -7.657 1.00 0.00 C ATOM 1573 CE LYS A 106 -12.658 -9.493 -7.593 1.00 0.00 C ATOM 1574 NZ LYS A 106 -13.631 -10.197 -8.478 1.00 0.00 N ATOM 0 H LYS A 106 -9.571 -11.973 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.544 -13.963 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.063 -11.315 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.506 -12.274 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.892 -12.165 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.518 -11.387 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.537 -9.437 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.945 -10.213 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.018 -9.524 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.604 -8.443 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.564 -9.743 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.304 -10.146 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.705 -11.193 -8.189 1.00 0.00 H new ATOM 1588 N GLN A 107 -7.377 -14.273 -5.987 1.00 0.00 N ATOM 1589 CA GLN A 107 -6.187 -15.058 -6.337 1.00 0.00 C ATOM 1590 C GLN A 107 -5.789 -16.074 -5.254 1.00 0.00 C ATOM 1591 O GLN A 107 -5.314 -17.167 -5.574 1.00 0.00 O ATOM 1592 CB GLN A 107 -5.035 -14.095 -6.655 1.00 0.00 C ATOM 1593 CG GLN A 107 -4.693 -13.054 -5.577 1.00 0.00 C ATOM 1594 CD GLN A 107 -3.583 -12.096 -6.002 1.00 0.00 C ATOM 1595 OE1 GLN A 107 -2.468 -12.488 -6.323 1.00 0.00 O ATOM 1596 NE2 GLN A 107 -3.846 -10.803 -6.009 1.00 0.00 N ATOM 0 H GLN A 107 -7.263 -13.754 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.425 -15.657 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.141 -14.686 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.278 -13.565 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.588 -12.480 -5.337 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.391 -13.569 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.772 -10.470 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.123 -10.137 -6.281 1.00 0.00 H new ATOM 1605 N ALA A 108 -6.027 -15.743 -3.985 1.00 0.00 N ATOM 1606 CA ALA A 108 -5.770 -16.624 -2.839 1.00 0.00 C ATOM 1607 C ALA A 108 -6.717 -17.844 -2.759 1.00 0.00 C ATOM 1608 O ALA A 108 -6.283 -18.931 -2.351 1.00 0.00 O ATOM 1609 CB ALA A 108 -5.865 -15.785 -1.564 1.00 0.00 C ATOM 0 H ALA A 108 -6.412 -14.837 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.773 -17.046 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.678 -16.418 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.123 -14.987 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.862 -15.351 -1.488 1.00 0.00 H new