USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 33 CYS SG : rot -60:sc= -1.52 USER MOD Set 1.2: A 38 MET CE :methyl -118:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.233) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 49 THR OG1 : rot 77:sc= 0.136 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0.131 (180deg=0.0661) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 0.173 (180deg=0.0483) USER MOD Single : A 60 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.9!) USER MOD Single : A 61 TYR OH : rot -13:sc= -1.83 USER MOD Single : A 64 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.93!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.404 F(o=-2.7!,f=-0.4) USER MOD Single : A 70 HIS : +bothHN:sc= 0.161 K(o=0.16,f=-5.6!) USER MOD Single : A 83 CYS SG : rot -82:sc= 0.069 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.0596 X(o=0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.659 8.981 3.426 1.00 0.00 N ATOM 28 CA PHE A 18 -7.639 8.778 2.403 1.00 0.00 C ATOM 29 C PHE A 18 -7.600 7.323 1.950 1.00 0.00 C ATOM 30 O PHE A 18 -8.104 6.435 2.635 1.00 0.00 O ATOM 31 CB PHE A 18 -6.267 9.195 2.936 1.00 0.00 C ATOM 32 CG PHE A 18 -5.454 9.987 1.953 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.646 11.353 1.819 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.499 9.367 1.163 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.901 12.084 0.914 1.00 0.00 C ATOM 36 CE2 PHE A 18 -3.751 10.094 0.258 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.952 11.455 0.134 1.00 0.00 C ATOM 0 HA PHE A 18 -7.894 9.398 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.403 9.786 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.710 8.302 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.386 11.851 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.338 8.303 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.061 13.148 0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.010 9.599 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.367 12.026 -0.572 1.00 0.00 H new ATOM 47 N LYS A 19 -6.990 7.085 0.792 1.00 0.00 N ATOM 48 CA LYS A 19 -6.882 5.736 0.250 1.00 0.00 C ATOM 49 C LYS A 19 -5.962 5.708 -0.968 1.00 0.00 C ATOM 50 O LYS A 19 -6.214 6.384 -1.966 1.00 0.00 O ATOM 51 CB LYS A 19 -8.265 5.201 -0.126 1.00 0.00 C ATOM 52 CG LYS A 19 -8.509 3.773 0.335 1.00 0.00 C ATOM 53 CD LYS A 19 -9.265 2.970 -0.711 1.00 0.00 C ATOM 54 CE LYS A 19 -8.866 1.503 -0.685 1.00 0.00 C ATOM 55 NZ LYS A 19 -10.038 0.604 -0.869 1.00 0.00 N ATOM 0 H LYS A 19 -6.564 7.808 0.213 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.451 5.097 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.027 5.849 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.383 5.250 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.555 3.290 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.075 3.782 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.337 3.059 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.069 3.384 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.135 1.312 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.380 1.276 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.723 -0.387 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.724 0.768 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.487 0.802 -1.786 1.00 0.00 H new ATOM 69 N VAL A 20 -4.898 4.918 -0.878 1.00 0.00 N ATOM 70 CA VAL A 20 -3.943 4.797 -1.972 1.00 0.00 C ATOM 71 C VAL A 20 -3.567 3.340 -2.209 1.00 0.00 C ATOM 72 O VAL A 20 -3.433 2.560 -1.265 1.00 0.00 O ATOM 73 CB VAL A 20 -2.662 5.607 -1.694 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.954 7.099 -1.741 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.062 5.215 -0.352 1.00 0.00 C ATOM 0 H VAL A 20 -4.676 4.352 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.428 5.196 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.933 5.378 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.038 7.655 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.333 7.365 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.700 7.348 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.158 5.798 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.784 5.412 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.814 4.154 -0.361 1.00 0.00 H new ATOM 85 N THR A 21 -3.400 2.976 -3.476 1.00 0.00 N ATOM 86 CA THR A 21 -3.040 1.610 -3.838 1.00 0.00 C ATOM 87 C THR A 21 -1.618 1.547 -4.383 1.00 0.00 C ATOM 88 O THR A 21 -1.356 1.962 -5.512 1.00 0.00 O ATOM 89 CB THR A 21 -4.022 1.062 -4.876 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.354 1.148 -4.403 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.757 -0.382 -5.245 1.00 0.00 C ATOM 0 H THR A 21 -3.508 3.608 -4.269 1.00 0.00 H new ATOM 0 HA THR A 21 -3.091 0.996 -2.939 1.00 0.00 H new ATOM 0 HB THR A 21 -3.879 1.679 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.966 0.794 -5.082 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.488 -0.709 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.754 -0.473 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.838 -1.006 -4.355 1.00 0.00 H new ATOM 99 N VAL A 22 -0.704 1.022 -3.575 1.00 0.00 N ATOM 100 CA VAL A 22 0.689 0.901 -3.973 1.00 0.00 C ATOM 101 C VAL A 22 0.988 -0.504 -4.483 1.00 0.00 C ATOM 102 O VAL A 22 1.116 -1.446 -3.700 1.00 0.00 O ATOM 103 CB VAL A 22 1.642 1.224 -2.805 1.00 0.00 C ATOM 104 CG1 VAL A 22 1.834 2.727 -2.671 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.129 0.628 -1.502 1.00 0.00 C ATOM 0 H VAL A 22 -0.906 0.673 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 22 0.854 1.623 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 22 2.610 0.772 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.510 2.935 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.259 3.123 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.871 3.201 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.820 0.870 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.146 1.041 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.054 -0.455 -1.602 1.00 0.00 H new ATOM 115 N CYS A 23 1.094 -0.637 -5.800 1.00 0.00 N ATOM 116 CA CYS A 23 1.371 -1.928 -6.418 1.00 0.00 C ATOM 117 C CYS A 23 2.814 -2.356 -6.169 1.00 0.00 C ATOM 118 O CYS A 23 3.738 -1.879 -6.827 1.00 0.00 O ATOM 119 CB CYS A 23 1.099 -1.867 -7.921 1.00 0.00 C ATOM 120 SG CYS A 23 0.798 -3.479 -8.683 1.00 0.00 S ATOM 0 H CYS A 23 0.992 0.134 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 23 0.709 -2.666 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.235 -1.227 -8.097 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.950 -1.397 -8.415 1.00 0.00 H new ATOM 0 HG CYS A 23 0.576 -3.323 -9.954 1.00 0.00 H new ATOM 126 N PHE A 24 2.997 -3.266 -5.217 1.00 0.00 N ATOM 127 CA PHE A 24 4.325 -3.766 -4.883 1.00 0.00 C ATOM 128 C PHE A 24 4.777 -4.800 -5.907 1.00 0.00 C ATOM 129 O PHE A 24 4.347 -5.952 -5.870 1.00 0.00 O ATOM 130 CB PHE A 24 4.323 -4.385 -3.484 1.00 0.00 C ATOM 131 CG PHE A 24 4.712 -3.420 -2.400 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.988 -2.256 -2.201 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.800 -3.678 -1.583 1.00 0.00 C ATOM 134 CE1 PHE A 24 4.343 -1.367 -1.205 1.00 0.00 C ATOM 135 CE2 PHE A 24 6.159 -2.792 -0.585 1.00 0.00 C ATOM 136 CZ PHE A 24 5.430 -1.634 -0.396 1.00 0.00 C ATOM 0 H PHE A 24 2.242 -3.672 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 24 5.022 -2.928 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.329 -4.777 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.009 -5.232 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.137 -2.041 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.374 -4.581 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.770 -0.463 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.009 -3.005 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.709 -0.939 0.382 1.00 0.00 H new ATOM 146 N GLY A 25 5.644 -4.379 -6.824 1.00 0.00 N ATOM 147 CA GLY A 25 6.135 -5.283 -7.848 1.00 0.00 C ATOM 148 C GLY A 25 5.030 -5.758 -8.772 1.00 0.00 C ATOM 149 O GLY A 25 4.906 -5.280 -9.899 1.00 0.00 O ATOM 0 H GLY A 25 6.014 -3.430 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.905 -4.781 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.605 -6.145 -7.374 1.00 0.00 H new ATOM 153 N ARG A 26 4.225 -6.699 -8.291 1.00 0.00 N ATOM 154 CA ARG A 26 3.120 -7.236 -9.076 1.00 0.00 C ATOM 155 C ARG A 26 1.920 -7.539 -8.184 1.00 0.00 C ATOM 156 O ARG A 26 1.145 -8.456 -8.457 1.00 0.00 O ATOM 157 CB ARG A 26 3.557 -8.506 -9.810 1.00 0.00 C ATOM 158 CG ARG A 26 2.847 -8.714 -11.138 1.00 0.00 C ATOM 159 CD ARG A 26 2.960 -10.155 -11.610 1.00 0.00 C ATOM 160 NE ARG A 26 1.841 -10.540 -12.469 1.00 0.00 N ATOM 161 CZ ARG A 26 1.864 -11.584 -13.291 1.00 0.00 C ATOM 162 NH1 ARG A 26 2.941 -12.355 -13.370 1.00 0.00 N ATOM 163 NH2 ARG A 26 0.803 -11.862 -14.038 1.00 0.00 N ATOM 0 H ARG A 26 4.317 -7.106 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 26 2.827 -6.484 -9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.632 -8.463 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.372 -9.368 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.796 -8.445 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.275 -8.049 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.896 -10.286 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.998 -10.818 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 26 0.993 -9.974 -12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.759 -12.148 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.951 -13.154 -14.003 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.029 -11.275 -13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.819 -12.663 -14.669 1.00 0.00 H new ATOM 177 N THR A 27 1.774 -6.759 -7.116 1.00 0.00 N ATOM 178 CA THR A 27 0.670 -6.942 -6.181 1.00 0.00 C ATOM 179 C THR A 27 0.146 -5.597 -5.688 1.00 0.00 C ATOM 180 O THR A 27 0.909 -4.764 -5.199 1.00 0.00 O ATOM 181 CB THR A 27 1.115 -7.795 -4.993 1.00 0.00 C ATOM 182 OG1 THR A 27 1.667 -9.023 -5.437 1.00 0.00 O ATOM 183 CG2 THR A 27 -0.008 -8.117 -4.031 1.00 0.00 C ATOM 0 H THR A 27 2.406 -5.995 -6.878 1.00 0.00 H new ATOM 0 HA THR A 27 -0.135 -7.456 -6.706 1.00 0.00 H new ATOM 0 HB THR A 27 1.858 -7.194 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.090 -9.483 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.377 -8.725 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.422 -7.191 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.789 -8.668 -4.555 1.00 0.00 H new ATOM 191 N ARG A 28 -1.161 -5.391 -5.821 1.00 0.00 N ATOM 192 CA ARG A 28 -1.787 -4.144 -5.390 1.00 0.00 C ATOM 193 C ARG A 28 -2.006 -4.136 -3.879 1.00 0.00 C ATOM 194 O ARG A 28 -2.745 -4.961 -3.345 1.00 0.00 O ATOM 195 CB ARG A 28 -3.122 -3.944 -6.111 1.00 0.00 C ATOM 196 CG ARG A 28 -2.976 -3.728 -7.609 1.00 0.00 C ATOM 197 CD ARG A 28 -4.289 -3.965 -8.339 1.00 0.00 C ATOM 198 NE ARG A 28 -4.201 -5.081 -9.278 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.258 -5.714 -9.780 1.00 0.00 C ATOM 200 NH1 ARG A 28 -6.487 -5.345 -9.434 1.00 0.00 N ATOM 201 NH2 ARG A 28 -5.089 -6.718 -10.628 1.00 0.00 N ATOM 0 H ARG A 28 -1.807 -6.070 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.116 -3.324 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.754 -4.815 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.636 -3.086 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.632 -2.711 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.214 -4.401 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.077 -4.164 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.573 -3.060 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.274 -5.393 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.623 -4.573 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.294 -5.833 -9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.148 -7.006 -10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.900 -7.203 -11.012 1.00 0.00 H new ATOM 215 N VAL A 29 -1.361 -3.194 -3.199 1.00 0.00 N ATOM 216 CA VAL A 29 -1.488 -3.073 -1.751 1.00 0.00 C ATOM 217 C VAL A 29 -2.205 -1.782 -1.373 1.00 0.00 C ATOM 218 O VAL A 29 -1.657 -0.690 -1.516 1.00 0.00 O ATOM 219 CB VAL A 29 -0.110 -3.105 -1.061 1.00 0.00 C ATOM 220 CG1 VAL A 29 -0.270 -3.170 0.450 1.00 0.00 C ATOM 221 CG2 VAL A 29 0.717 -4.278 -1.569 1.00 0.00 C ATOM 0 H VAL A 29 -0.745 -2.503 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.074 -3.926 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 29 0.420 -2.185 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.713 -3.192 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.818 -2.293 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.821 -4.071 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.686 -4.283 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.194 -5.211 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.863 -4.181 -2.645 1.00 0.00 H new ATOM 231 N ASP A 30 -3.437 -1.915 -0.890 1.00 0.00 N ATOM 232 CA ASP A 30 -4.232 -0.759 -0.493 1.00 0.00 C ATOM 233 C ASP A 30 -3.745 -0.187 0.834 1.00 0.00 C ATOM 234 O ASP A 30 -3.327 -0.927 1.726 1.00 0.00 O ATOM 235 CB ASP A 30 -5.708 -1.144 -0.382 1.00 0.00 C ATOM 236 CG ASP A 30 -5.921 -2.372 0.483 1.00 0.00 C ATOM 237 OD1 ASP A 30 -5.018 -2.701 1.280 1.00 0.00 O ATOM 238 OD2 ASP A 30 -6.991 -3.004 0.362 1.00 0.00 O ATOM 0 H ASP A 30 -3.906 -2.812 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.117 0.007 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.269 -0.307 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.108 -1.331 -1.379 1.00 0.00 H new ATOM 243 N VAL A 31 -3.804 1.136 0.958 1.00 0.00 N ATOM 244 CA VAL A 31 -3.370 1.810 2.177 1.00 0.00 C ATOM 245 C VAL A 31 -4.284 2.989 2.503 1.00 0.00 C ATOM 246 O VAL A 31 -4.069 4.102 2.021 1.00 0.00 O ATOM 247 CB VAL A 31 -1.921 2.317 2.052 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.424 2.844 3.389 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.012 1.213 1.533 1.00 0.00 C ATOM 0 H VAL A 31 -4.148 1.762 0.230 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.421 1.078 2.983 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.902 3.137 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.399 3.198 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.060 3.667 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.457 2.045 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.008 1.590 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.033 0.370 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.358 0.888 0.552 1.00 0.00 H new ATOM 259 N PRO A 32 -5.322 2.760 3.325 1.00 0.00 N ATOM 260 CA PRO A 32 -6.271 3.802 3.711 1.00 0.00 C ATOM 261 C PRO A 32 -5.794 4.614 4.912 1.00 0.00 C ATOM 262 O PRO A 32 -5.263 4.064 5.875 1.00 0.00 O ATOM 263 CB PRO A 32 -7.514 2.996 4.073 1.00 0.00 C ATOM 264 CG PRO A 32 -6.981 1.718 4.631 1.00 0.00 C ATOM 265 CD PRO A 32 -5.661 1.462 3.940 1.00 0.00 C ATOM 0 HA PRO A 32 -6.423 4.538 2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.129 3.522 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.140 2.817 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.845 1.793 5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.677 0.898 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.895 1.143 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.749 0.676 3.190 1.00 0.00 H new ATOM 273 N CYS A 33 -5.995 5.928 4.847 1.00 0.00 N ATOM 274 CA CYS A 33 -5.593 6.817 5.930 1.00 0.00 C ATOM 275 C CYS A 33 -6.815 7.429 6.603 1.00 0.00 C ATOM 276 O CYS A 33 -7.829 7.685 5.954 1.00 0.00 O ATOM 277 CB CYS A 33 -4.675 7.920 5.403 1.00 0.00 C ATOM 278 SG CYS A 33 -3.368 8.406 6.554 1.00 0.00 S ATOM 0 H CYS A 33 -6.434 6.399 4.056 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.047 6.230 6.669 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.218 7.584 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.278 8.796 5.164 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.901 8.848 7.654 1.00 0.00 H new ATOM 284 N GLY A 34 -6.715 7.656 7.909 1.00 0.00 N ATOM 285 CA GLY A 34 -7.824 8.230 8.650 1.00 0.00 C ATOM 286 C GLY A 34 -7.865 9.744 8.574 1.00 0.00 C ATOM 287 O GLY A 34 -8.940 10.335 8.481 1.00 0.00 O ATOM 0 H GLY A 34 -5.886 7.453 8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.760 7.827 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.753 7.926 9.694 1.00 0.00 H new ATOM 291 N ASP A 35 -6.695 10.375 8.618 1.00 0.00 N ATOM 292 CA ASP A 35 -6.616 11.832 8.560 1.00 0.00 C ATOM 293 C ASP A 35 -5.766 12.288 7.379 1.00 0.00 C ATOM 294 O ASP A 35 -6.130 13.222 6.664 1.00 0.00 O ATOM 295 CB ASP A 35 -6.032 12.381 9.862 1.00 0.00 C ATOM 296 CG ASP A 35 -7.087 12.580 10.931 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.105 13.245 10.645 1.00 0.00 O ATOM 298 OD2 ASP A 35 -6.897 12.070 12.056 1.00 0.00 O ATOM 0 H ASP A 35 -5.793 9.904 8.693 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.626 12.219 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.269 11.696 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.537 13.332 9.663 1.00 0.00 H new ATOM 303 N GLY A 36 -4.631 11.628 7.183 1.00 0.00 N ATOM 304 CA GLY A 36 -3.743 11.987 6.091 1.00 0.00 C ATOM 305 C GLY A 36 -2.441 12.594 6.576 1.00 0.00 C ATOM 306 O GLY A 36 -1.666 13.130 5.783 1.00 0.00 O ATOM 0 H GLY A 36 -4.309 10.851 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.527 11.100 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.248 12.696 5.434 1.00 0.00 H new ATOM 310 N ARG A 37 -2.195 12.509 7.882 1.00 0.00 N ATOM 311 CA ARG A 37 -0.975 13.052 8.469 1.00 0.00 C ATOM 312 C ARG A 37 0.064 11.952 8.661 1.00 0.00 C ATOM 313 O ARG A 37 0.827 11.965 9.628 1.00 0.00 O ATOM 314 CB ARG A 37 -1.286 13.724 9.808 1.00 0.00 C ATOM 315 CG ARG A 37 -1.501 15.226 9.701 1.00 0.00 C ATOM 316 CD ARG A 37 -0.257 15.998 10.109 1.00 0.00 C ATOM 317 NE ARG A 37 -0.563 17.382 10.466 1.00 0.00 N ATOM 318 CZ ARG A 37 -1.130 17.743 11.614 1.00 0.00 C ATOM 319 NH1 ARG A 37 -1.454 16.828 12.520 1.00 0.00 N ATOM 320 NH2 ARG A 37 -1.374 19.024 11.859 1.00 0.00 N ATOM 0 H ARG A 37 -2.825 12.069 8.552 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.567 13.798 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.179 13.267 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.467 13.531 10.501 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.771 15.484 8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.337 15.521 10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.216 15.501 10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.462 15.986 9.290 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.328 18.114 9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.268 15.842 12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.888 17.111 13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.127 19.732 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.809 19.301 12.739 1.00 0.00 H new ATOM 334 N MET A 38 0.086 11.002 7.732 1.00 0.00 N ATOM 335 CA MET A 38 1.028 9.892 7.795 1.00 0.00 C ATOM 336 C MET A 38 2.076 10.011 6.695 1.00 0.00 C ATOM 337 O MET A 38 1.763 9.893 5.511 1.00 0.00 O ATOM 338 CB MET A 38 0.284 8.561 7.662 1.00 0.00 C ATOM 339 CG MET A 38 0.798 7.479 8.598 1.00 0.00 C ATOM 340 SD MET A 38 -0.526 6.456 9.271 1.00 0.00 S ATOM 341 CE MET A 38 -1.045 5.570 7.804 1.00 0.00 C ATOM 0 H MET A 38 -0.539 10.979 6.926 1.00 0.00 H new ATOM 0 HA MET A 38 1.532 9.926 8.761 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.776 8.726 7.858 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.367 8.209 6.634 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.504 6.845 8.062 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.346 7.944 9.418 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.084 5.813 7.581 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.416 5.860 6.962 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.951 4.497 7.974 1.00 0.00 H new ATOM 351 N LYS A 39 3.323 10.243 7.093 1.00 0.00 N ATOM 352 CA LYS A 39 4.414 10.376 6.134 1.00 0.00 C ATOM 353 C LYS A 39 4.481 9.161 5.214 1.00 0.00 C ATOM 354 O LYS A 39 3.995 8.081 5.557 1.00 0.00 O ATOM 355 CB LYS A 39 5.746 10.549 6.868 1.00 0.00 C ATOM 356 CG LYS A 39 5.684 11.543 8.016 1.00 0.00 C ATOM 357 CD LYS A 39 7.058 12.112 8.337 1.00 0.00 C ATOM 358 CE LYS A 39 7.621 11.517 9.618 1.00 0.00 C ATOM 359 NZ LYS A 39 7.633 10.029 9.581 1.00 0.00 N ATOM 0 H LYS A 39 3.602 10.342 8.069 1.00 0.00 H new ATOM 0 HA LYS A 39 4.224 11.260 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.067 9.581 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.504 10.876 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.004 12.355 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.276 11.054 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.739 11.910 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.990 13.195 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.635 11.884 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.026 11.854 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.308 9.670 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.682 9.669 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.917 9.708 8.634 1.00 0.00 H new ATOM 373 N VAL A 40 5.085 9.340 4.044 1.00 0.00 N ATOM 374 CA VAL A 40 5.211 8.255 3.080 1.00 0.00 C ATOM 375 C VAL A 40 5.814 7.014 3.728 1.00 0.00 C ATOM 376 O VAL A 40 5.258 5.924 3.635 1.00 0.00 O ATOM 377 CB VAL A 40 6.080 8.664 1.872 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.144 7.538 0.847 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.547 9.942 1.238 1.00 0.00 C ATOM 0 H VAL A 40 5.494 10.224 3.742 1.00 0.00 H new ATOM 0 HA VAL A 40 4.204 8.029 2.729 1.00 0.00 H new ATOM 0 HB VAL A 40 7.092 8.855 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.762 7.848 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.578 6.651 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.138 7.309 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.172 10.215 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.524 9.781 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.563 10.747 1.973 1.00 0.00 H new ATOM 389 N PHE A 41 6.952 7.189 4.391 1.00 0.00 N ATOM 390 CA PHE A 41 7.633 6.080 5.052 1.00 0.00 C ATOM 391 C PHE A 41 6.666 5.283 5.923 1.00 0.00 C ATOM 392 O PHE A 41 6.839 4.078 6.114 1.00 0.00 O ATOM 393 CB PHE A 41 8.791 6.604 5.903 1.00 0.00 C ATOM 394 CG PHE A 41 9.746 5.531 6.342 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.256 4.622 5.429 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.136 5.433 7.668 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.135 3.634 5.830 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.016 4.447 8.076 1.00 0.00 C ATOM 399 CZ PHE A 41 11.516 3.547 7.155 1.00 0.00 C ATOM 0 H PHE A 41 7.423 8.089 4.485 1.00 0.00 H new ATOM 0 HA PHE A 41 8.025 5.417 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.338 7.356 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.387 7.103 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.963 4.686 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.748 6.135 8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.524 2.931 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.312 4.381 9.113 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.204 2.776 7.470 1.00 0.00 H new ATOM 409 N SER A 42 5.648 5.958 6.444 1.00 0.00 N ATOM 410 CA SER A 42 4.657 5.305 7.287 1.00 0.00 C ATOM 411 C SER A 42 3.690 4.477 6.445 1.00 0.00 C ATOM 412 O SER A 42 3.338 3.354 6.808 1.00 0.00 O ATOM 413 CB SER A 42 3.885 6.344 8.103 1.00 0.00 C ATOM 414 OG SER A 42 4.759 7.105 8.917 1.00 0.00 O ATOM 0 H SER A 42 5.488 6.955 6.297 1.00 0.00 H new ATOM 0 HA SER A 42 5.180 4.636 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.340 7.007 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.145 5.844 8.727 1.00 0.00 H new ATOM 0 HG SER A 42 4.241 7.763 9.427 1.00 0.00 H new ATOM 420 N LEU A 43 3.266 5.035 5.314 1.00 0.00 N ATOM 421 CA LEU A 43 2.341 4.340 4.427 1.00 0.00 C ATOM 422 C LEU A 43 3.037 3.173 3.733 1.00 0.00 C ATOM 423 O LEU A 43 2.445 2.111 3.540 1.00 0.00 O ATOM 424 CB LEU A 43 1.749 5.312 3.395 1.00 0.00 C ATOM 425 CG LEU A 43 2.549 5.474 2.100 1.00 0.00 C ATOM 426 CD1 LEU A 43 2.135 4.421 1.085 1.00 0.00 C ATOM 427 CD2 LEU A 43 2.357 6.872 1.529 1.00 0.00 C ATOM 0 H LEU A 43 3.547 5.961 4.992 1.00 0.00 H new ATOM 0 HA LEU A 43 1.524 3.941 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.744 4.975 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.647 6.291 3.862 1.00 0.00 H new ATOM 0 HG LEU A 43 3.606 5.336 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.713 4.550 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.321 3.428 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.074 4.528 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.932 6.971 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.301 7.036 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.700 7.611 2.253 1.00 0.00 H new ATOM 439 N ILE A 44 4.301 3.372 3.370 1.00 0.00 N ATOM 440 CA ILE A 44 5.074 2.332 2.711 1.00 0.00 C ATOM 441 C ILE A 44 5.262 1.139 3.637 1.00 0.00 C ATOM 442 O ILE A 44 5.002 -0.002 3.257 1.00 0.00 O ATOM 443 CB ILE A 44 6.451 2.852 2.259 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.277 4.123 1.423 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.192 1.777 1.474 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.470 4.461 0.554 1.00 0.00 C ATOM 0 H ILE A 44 4.808 4.244 3.522 1.00 0.00 H new ATOM 0 HA ILE A 44 4.515 2.023 1.828 1.00 0.00 H new ATOM 0 HB ILE A 44 7.048 3.096 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.399 4.009 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.080 4.961 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.164 2.159 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.333 0.899 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.610 1.503 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.266 5.374 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.348 4.609 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.656 3.643 -0.142 1.00 0.00 H new ATOM 458 N GLN A 45 5.707 1.410 4.862 1.00 0.00 N ATOM 459 CA GLN A 45 5.919 0.355 5.846 1.00 0.00 C ATOM 460 C GLN A 45 4.631 -0.429 6.069 1.00 0.00 C ATOM 461 O GLN A 45 4.647 -1.656 6.169 1.00 0.00 O ATOM 462 CB GLN A 45 6.409 0.947 7.167 1.00 0.00 C ATOM 463 CG GLN A 45 6.889 -0.098 8.162 1.00 0.00 C ATOM 464 CD GLN A 45 6.720 0.347 9.601 1.00 0.00 C ATOM 465 OE1 GLN A 45 5.801 -0.091 10.294 1.00 0.00 O ATOM 466 NE2 GLN A 45 7.608 1.221 10.058 1.00 0.00 N ATOM 0 H GLN A 45 5.927 2.349 5.195 1.00 0.00 H new ATOM 0 HA GLN A 45 6.681 -0.324 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.222 1.644 6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.602 1.523 7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.337 -1.025 8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.940 -0.317 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.353 1.557 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.545 1.557 11.019 1.00 0.00 H new ATOM 475 N GLN A 46 3.515 0.288 6.135 1.00 0.00 N ATOM 476 CA GLN A 46 2.216 -0.342 6.335 1.00 0.00 C ATOM 477 C GLN A 46 1.863 -1.220 5.138 1.00 0.00 C ATOM 478 O GLN A 46 1.298 -2.302 5.292 1.00 0.00 O ATOM 479 CB GLN A 46 1.134 0.717 6.547 1.00 0.00 C ATOM 480 CG GLN A 46 1.048 1.222 7.977 1.00 0.00 C ATOM 481 CD GLN A 46 -0.075 0.568 8.759 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.975 1.245 9.256 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.026 -0.754 8.871 1.00 0.00 N ATOM 0 H GLN A 46 3.484 1.304 6.053 1.00 0.00 H new ATOM 0 HA GLN A 46 2.270 -0.967 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.328 1.560 5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.169 0.301 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.995 1.034 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.900 2.302 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.740 -1.274 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.754 -1.250 9.386 1.00 0.00 H new ATOM 492 N ALA A 47 2.208 -0.744 3.944 1.00 0.00 N ATOM 493 CA ALA A 47 1.937 -1.484 2.719 1.00 0.00 C ATOM 494 C ALA A 47 2.833 -2.713 2.621 1.00 0.00 C ATOM 495 O ALA A 47 2.394 -3.781 2.194 1.00 0.00 O ATOM 496 CB ALA A 47 2.128 -0.587 1.505 1.00 0.00 C ATOM 0 H ALA A 47 2.676 0.151 3.801 1.00 0.00 H new ATOM 0 HA ALA A 47 0.900 -1.820 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.922 -1.154 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.444 0.260 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.155 -0.223 1.480 1.00 0.00 H new ATOM 502 N VAL A 48 4.090 -2.553 3.023 1.00 0.00 N ATOM 503 CA VAL A 48 5.049 -3.652 2.989 1.00 0.00 C ATOM 504 C VAL A 48 4.550 -4.825 3.824 1.00 0.00 C ATOM 505 O VAL A 48 4.467 -5.954 3.342 1.00 0.00 O ATOM 506 CB VAL A 48 6.433 -3.206 3.505 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.412 -4.370 3.511 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.967 -2.058 2.663 1.00 0.00 C ATOM 0 H VAL A 48 4.468 -1.674 3.376 1.00 0.00 H new ATOM 0 HA VAL A 48 5.150 -3.965 1.950 1.00 0.00 H new ATOM 0 HB VAL A 48 6.319 -2.858 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.380 -4.029 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.034 -5.160 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.524 -4.756 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.944 -1.754 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.062 -2.381 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.279 -1.215 2.719 1.00 0.00 H new ATOM 518 N THR A 49 4.208 -4.546 5.077 1.00 0.00 N ATOM 519 CA THR A 49 3.704 -5.575 5.978 1.00 0.00 C ATOM 520 C THR A 49 2.438 -6.206 5.407 1.00 0.00 C ATOM 521 O THR A 49 2.253 -7.423 5.464 1.00 0.00 O ATOM 522 CB THR A 49 3.418 -4.980 7.358 1.00 0.00 C ATOM 523 OG1 THR A 49 4.566 -4.325 7.869 1.00 0.00 O ATOM 524 CG2 THR A 49 2.988 -6.013 8.377 1.00 0.00 C ATOM 0 H THR A 49 4.271 -3.616 5.491 1.00 0.00 H new ATOM 0 HA THR A 49 4.466 -6.348 6.081 1.00 0.00 H new ATOM 0 HB THR A 49 2.597 -4.279 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.672 -3.457 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.801 -5.525 9.333 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.076 -6.503 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.776 -6.756 8.497 1.00 0.00 H new ATOM 532 N ARG A 50 1.570 -5.367 4.850 1.00 0.00 N ATOM 533 CA ARG A 50 0.325 -5.840 4.258 1.00 0.00 C ATOM 534 C ARG A 50 0.600 -6.615 2.973 1.00 0.00 C ATOM 535 O ARG A 50 -0.175 -7.489 2.586 1.00 0.00 O ATOM 536 CB ARG A 50 -0.607 -4.660 3.971 1.00 0.00 C ATOM 537 CG ARG A 50 -1.651 -4.434 5.054 1.00 0.00 C ATOM 538 CD ARG A 50 -3.014 -4.957 4.634 1.00 0.00 C ATOM 539 NE ARG A 50 -2.932 -6.293 4.047 1.00 0.00 N ATOM 540 CZ ARG A 50 -2.816 -7.411 4.761 1.00 0.00 C ATOM 541 NH1 ARG A 50 -2.771 -7.358 6.087 1.00 0.00 N ATOM 542 NH2 ARG A 50 -2.747 -8.584 4.148 1.00 0.00 N ATOM 0 H ARG A 50 1.706 -4.358 4.797 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.160 -6.509 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.010 -3.755 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.112 -4.829 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.337 -4.931 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.722 -3.369 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.675 -4.982 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.459 -4.271 3.913 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.966 -6.374 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.825 -6.458 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.682 -8.217 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.783 -8.630 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.658 -9.441 4.695 1.00 0.00 H new ATOM 556 N TYR A 51 1.709 -6.288 2.314 1.00 0.00 N ATOM 557 CA TYR A 51 2.087 -6.954 1.074 1.00 0.00 C ATOM 558 C TYR A 51 2.473 -8.408 1.337 1.00 0.00 C ATOM 559 O TYR A 51 1.878 -9.327 0.776 1.00 0.00 O ATOM 560 CB TYR A 51 3.247 -6.204 0.407 1.00 0.00 C ATOM 561 CG TYR A 51 4.000 -7.019 -0.623 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.477 -7.225 -1.893 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.233 -7.584 -0.320 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.162 -7.971 -2.833 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.924 -8.331 -1.255 1.00 0.00 C ATOM 566 CZ TYR A 51 5.385 -8.521 -2.509 1.00 0.00 C ATOM 567 OH TYR A 51 6.070 -9.264 -3.443 1.00 0.00 O ATOM 0 H TYR A 51 2.361 -5.565 2.620 1.00 0.00 H new ATOM 0 HA TYR A 51 1.230 -6.947 0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.857 -5.305 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.945 -5.878 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.520 -6.795 -2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.658 -7.437 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.742 -8.123 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.881 -8.764 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 51 6.914 -9.578 -3.056 1.00 0.00 H new ATOM 577 N ARG A 52 3.469 -8.609 2.195 1.00 0.00 N ATOM 578 CA ARG A 52 3.927 -9.952 2.528 1.00 0.00 C ATOM 579 C ARG A 52 2.790 -10.780 3.118 1.00 0.00 C ATOM 580 O ARG A 52 2.681 -11.977 2.858 1.00 0.00 O ATOM 581 CB ARG A 52 5.099 -9.896 3.512 1.00 0.00 C ATOM 582 CG ARG A 52 4.911 -8.884 4.631 1.00 0.00 C ATOM 583 CD ARG A 52 5.450 -9.406 5.953 1.00 0.00 C ATOM 584 NE ARG A 52 4.597 -9.031 7.078 1.00 0.00 N ATOM 585 CZ ARG A 52 4.921 -9.233 8.353 1.00 0.00 C ATOM 586 NH1 ARG A 52 6.074 -9.809 8.670 1.00 0.00 N ATOM 587 NH2 ARG A 52 4.088 -8.859 9.315 1.00 0.00 N ATOM 0 H ARG A 52 3.973 -7.860 2.671 1.00 0.00 H new ATOM 0 HA ARG A 52 4.265 -10.429 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.243 -10.884 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.010 -9.654 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.419 -7.955 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.852 -8.649 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.533 -10.492 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.455 -9.016 6.114 1.00 0.00 H new ATOM 0 HE ARG A 52 3.701 -8.589 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.718 -10.100 7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.316 -9.961 9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.200 -8.417 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.335 -9.013 10.292 1.00 0.00 H new ATOM 601 N LYS A 53 1.939 -10.130 3.906 1.00 0.00 N ATOM 602 CA LYS A 53 0.806 -10.807 4.525 1.00 0.00 C ATOM 603 C LYS A 53 -0.265 -11.134 3.486 1.00 0.00 C ATOM 604 O LYS A 53 -1.043 -12.072 3.658 1.00 0.00 O ATOM 605 CB LYS A 53 0.208 -9.937 5.633 1.00 0.00 C ATOM 606 CG LYS A 53 1.082 -9.850 6.874 1.00 0.00 C ATOM 607 CD LYS A 53 0.965 -11.102 7.729 1.00 0.00 C ATOM 608 CE LYS A 53 2.327 -11.718 8.009 1.00 0.00 C ATOM 609 NZ LYS A 53 2.255 -13.202 8.119 1.00 0.00 N ATOM 0 H LYS A 53 2.013 -9.138 4.130 1.00 0.00 H new ATOM 0 HA LYS A 53 1.165 -11.740 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.041 -8.932 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.767 -10.337 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.121 -9.706 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.794 -8.979 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.476 -10.855 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.332 -11.831 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.019 -11.446 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.729 -11.305 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.209 -13.604 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.863 -13.463 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.643 -13.577 7.366 1.00 0.00 H new ATOM 623 N ALA A 54 -0.300 -10.351 2.411 1.00 0.00 N ATOM 624 CA ALA A 54 -1.278 -10.556 1.348 1.00 0.00 C ATOM 625 C ALA A 54 -0.808 -11.613 0.354 1.00 0.00 C ATOM 626 O ALA A 54 -1.619 -12.329 -0.233 1.00 0.00 O ATOM 627 CB ALA A 54 -1.554 -9.243 0.630 1.00 0.00 C ATOM 0 H ALA A 54 0.337 -9.570 2.254 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.200 -10.915 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.285 -9.408 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.946 -8.515 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.629 -8.864 0.196 1.00 0.00 H new ATOM 633 N VAL A 55 0.505 -11.706 0.165 1.00 0.00 N ATOM 634 CA VAL A 55 1.072 -12.678 -0.766 1.00 0.00 C ATOM 635 C VAL A 55 1.465 -13.974 -0.058 1.00 0.00 C ATOM 636 O VAL A 55 2.232 -14.773 -0.594 1.00 0.00 O ATOM 637 CB VAL A 55 2.305 -12.108 -1.492 1.00 0.00 C ATOM 638 CG1 VAL A 55 1.914 -10.912 -2.346 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.387 -11.728 -0.495 1.00 0.00 C ATOM 0 H VAL A 55 1.194 -11.124 0.641 1.00 0.00 H new ATOM 0 HA VAL A 55 0.294 -12.896 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 55 2.706 -12.881 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.797 -10.522 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.177 -11.220 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.487 -10.136 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.249 -11.328 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.002 -10.973 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.688 -12.611 0.070 1.00 0.00 H new ATOM 649 N ALA A 56 0.931 -14.180 1.142 1.00 0.00 N ATOM 650 CA ALA A 56 1.224 -15.383 1.911 1.00 0.00 C ATOM 651 C ALA A 56 2.720 -15.527 2.179 1.00 0.00 C ATOM 652 O ALA A 56 3.239 -16.639 2.267 1.00 0.00 O ATOM 653 CB ALA A 56 0.698 -16.612 1.185 1.00 0.00 C ATOM 0 H ALA A 56 0.294 -13.530 1.602 1.00 0.00 H new ATOM 0 HA ALA A 56 0.721 -15.294 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.923 -17.504 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.381 -16.525 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.174 -16.689 0.208 1.00 0.00 H new ATOM 659 N LYS A 57 3.407 -14.396 2.312 1.00 0.00 N ATOM 660 CA LYS A 57 4.842 -14.405 2.576 1.00 0.00 C ATOM 661 C LYS A 57 5.120 -14.214 4.062 1.00 0.00 C ATOM 662 O LYS A 57 4.196 -14.131 4.871 1.00 0.00 O ATOM 663 CB LYS A 57 5.542 -13.310 1.769 1.00 0.00 C ATOM 664 CG LYS A 57 5.772 -13.678 0.314 1.00 0.00 C ATOM 665 CD LYS A 57 6.639 -12.647 -0.390 1.00 0.00 C ATOM 666 CE LYS A 57 6.504 -12.745 -1.902 1.00 0.00 C ATOM 667 NZ LYS A 57 7.694 -13.387 -2.527 1.00 0.00 N ATOM 0 H LYS A 57 2.995 -13.465 2.242 1.00 0.00 H new ATOM 0 HA LYS A 57 5.235 -15.375 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.945 -12.399 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.502 -13.085 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.249 -14.657 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.813 -13.759 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.356 -11.647 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.681 -12.792 -0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.611 -13.318 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.369 -11.747 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.391 -13.970 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.350 -12.652 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.173 -13.987 -1.826 1.00 0.00 H new ATOM 681 N ASP A 58 6.399 -14.147 4.417 1.00 0.00 N ATOM 682 CA ASP A 58 6.796 -13.967 5.808 1.00 0.00 C ATOM 683 C ASP A 58 8.099 -13.175 5.904 1.00 0.00 C ATOM 684 O ASP A 58 8.714 -12.849 4.890 1.00 0.00 O ATOM 685 CB ASP A 58 6.953 -15.326 6.492 1.00 0.00 C ATOM 686 CG ASP A 58 5.763 -15.675 7.364 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.091 -14.743 7.853 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.502 -16.882 7.558 1.00 0.00 O ATOM 0 H ASP A 58 7.177 -14.215 3.761 1.00 0.00 H new ATOM 0 HA ASP A 58 6.014 -13.402 6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.083 -16.098 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.857 -15.321 7.101 1.00 0.00 H new ATOM 693 N PRO A 59 8.535 -12.850 7.135 1.00 0.00 N ATOM 694 CA PRO A 59 9.770 -12.089 7.366 1.00 0.00 C ATOM 695 C PRO A 59 11.022 -12.844 6.925 1.00 0.00 C ATOM 696 O PRO A 59 12.114 -12.277 6.884 1.00 0.00 O ATOM 697 CB PRO A 59 9.790 -11.871 8.886 1.00 0.00 C ATOM 698 CG PRO A 59 8.402 -12.164 9.347 1.00 0.00 C ATOM 699 CD PRO A 59 7.861 -13.191 8.396 1.00 0.00 C ATOM 0 HA PRO A 59 9.778 -11.165 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.511 -12.531 9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.078 -10.849 9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.401 -12.540 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.789 -11.263 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.095 -14.205 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.777 -13.128 8.306 1.00 0.00 H new ATOM 707 N ASN A 60 10.864 -14.127 6.599 1.00 0.00 N ATOM 708 CA ASN A 60 11.988 -14.953 6.167 1.00 0.00 C ATOM 709 C ASN A 60 12.822 -14.242 5.106 1.00 0.00 C ATOM 710 O ASN A 60 13.997 -13.947 5.319 1.00 0.00 O ATOM 711 CB ASN A 60 11.484 -16.290 5.622 1.00 0.00 C ATOM 712 CG ASN A 60 10.506 -16.967 6.562 1.00 0.00 C ATOM 713 OD1 ASN A 60 10.290 -16.511 7.685 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.907 -18.060 6.107 1.00 0.00 N ATOM 0 H ASN A 60 9.969 -14.615 6.626 1.00 0.00 H new ATOM 0 HA ASN A 60 12.622 -15.134 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.003 -16.128 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.333 -16.951 5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.238 -18.557 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.116 -18.403 5.169 1.00 0.00 H new ATOM 721 N TYR A 61 12.204 -13.971 3.965 1.00 0.00 N ATOM 722 CA TYR A 61 12.887 -13.295 2.868 1.00 0.00 C ATOM 723 C TYR A 61 13.034 -11.804 3.157 1.00 0.00 C ATOM 724 O TYR A 61 12.162 -11.195 3.780 1.00 0.00 O ATOM 725 CB TYR A 61 12.131 -13.519 1.552 1.00 0.00 C ATOM 726 CG TYR A 61 10.955 -12.588 1.338 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.855 -12.615 2.187 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.946 -11.685 0.282 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.781 -11.768 1.989 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.876 -10.835 0.079 1.00 0.00 C ATOM 731 CZ TYR A 61 8.798 -10.878 0.934 1.00 0.00 C ATOM 732 OH TYR A 61 7.730 -10.034 0.733 1.00 0.00 O ATOM 0 H TYR A 61 11.231 -14.208 3.774 1.00 0.00 H new ATOM 0 HA TYR A 61 13.886 -13.720 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.828 -13.400 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.773 -14.548 1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.839 -13.309 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.790 -11.647 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.933 -11.802 2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.885 -10.140 -0.747 1.00 0.00 H new ATOM 0 HH TYR A 61 6.973 -10.329 1.280 1.00 0.00 H new ATOM 742 N TRP A 62 14.140 -11.218 2.704 1.00 0.00 N ATOM 743 CA TRP A 62 14.388 -9.798 2.920 1.00 0.00 C ATOM 744 C TRP A 62 13.549 -8.955 1.969 1.00 0.00 C ATOM 745 O TRP A 62 13.182 -9.409 0.882 1.00 0.00 O ATOM 746 CB TRP A 62 15.878 -9.475 2.737 1.00 0.00 C ATOM 747 CG TRP A 62 16.229 -9.007 1.354 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.980 -9.660 0.184 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.878 -7.781 0.997 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.446 -8.926 -0.879 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.001 -7.767 -0.406 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.371 -6.695 1.725 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.595 -6.713 -1.093 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.959 -5.648 1.041 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.067 -5.663 -0.355 1.00 0.00 C ATOM 0 H TRP A 62 14.874 -11.703 2.188 1.00 0.00 H new ATOM 0 HA TRP A 62 14.102 -9.557 3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.165 -8.706 3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.465 -10.364 2.970 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.487 -10.618 0.104 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.388 -9.199 -1.860 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.294 -6.674 2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.680 -6.724 -2.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.342 -4.803 1.593 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.532 -4.829 -0.859 1.00 0.00 H new ATOM 766 N ILE A 63 13.262 -7.723 2.381 1.00 0.00 N ATOM 767 CA ILE A 63 12.478 -6.806 1.567 1.00 0.00 C ATOM 768 C ILE A 63 13.020 -5.384 1.675 1.00 0.00 C ATOM 769 O ILE A 63 12.909 -4.742 2.720 1.00 0.00 O ATOM 770 CB ILE A 63 10.992 -6.813 1.984 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.434 -8.234 1.933 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.176 -5.886 1.091 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.082 -8.374 2.600 1.00 0.00 C ATOM 0 H ILE A 63 13.563 -7.338 3.277 1.00 0.00 H new ATOM 0 HA ILE A 63 12.557 -7.147 0.535 1.00 0.00 H new ATOM 0 HB ILE A 63 10.921 -6.447 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.351 -8.547 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.140 -8.911 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.132 -5.907 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.560 -4.869 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.252 -6.218 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.746 -9.408 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.163 -8.092 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.362 -7.722 2.104 1.00 0.00 H new ATOM 785 N GLN A 64 13.596 -4.893 0.583 1.00 0.00 N ATOM 786 CA GLN A 64 14.146 -3.542 0.549 1.00 0.00 C ATOM 787 C GLN A 64 13.230 -2.610 -0.236 1.00 0.00 C ATOM 788 O GLN A 64 13.186 -2.656 -1.465 1.00 0.00 O ATOM 789 CB GLN A 64 15.542 -3.550 -0.075 1.00 0.00 C ATOM 790 CG GLN A 64 16.540 -2.667 0.654 1.00 0.00 C ATOM 791 CD GLN A 64 17.544 -2.024 -0.283 1.00 0.00 C ATOM 792 OE1 GLN A 64 18.045 -2.665 -1.207 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.843 -0.752 -0.048 1.00 0.00 N ATOM 0 H GLN A 64 13.694 -5.410 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 64 14.220 -3.178 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.918 -4.573 -0.090 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.469 -3.222 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.003 -1.888 1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.071 -3.262 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.403 -0.260 0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.513 -0.267 -0.645 1.00 0.00 H new ATOM 802 N VAL A 65 12.495 -1.769 0.482 1.00 0.00 N ATOM 803 CA VAL A 65 11.573 -0.831 -0.149 1.00 0.00 C ATOM 804 C VAL A 65 12.302 0.420 -0.630 1.00 0.00 C ATOM 805 O VAL A 65 12.574 1.330 0.152 1.00 0.00 O ATOM 806 CB VAL A 65 10.437 -0.415 0.807 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.276 0.180 0.026 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.967 -1.598 1.646 1.00 0.00 C ATOM 0 H VAL A 65 12.519 -1.717 1.500 1.00 0.00 H new ATOM 0 HA VAL A 65 11.140 -1.349 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 65 10.826 0.345 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.483 0.468 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.618 1.059 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.894 -0.560 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.166 -1.277 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.599 -2.386 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.800 -1.978 2.238 1.00 0.00 H new ATOM 818 N HIS A 66 12.614 0.458 -1.922 1.00 0.00 N ATOM 819 CA HIS A 66 13.310 1.597 -2.507 1.00 0.00 C ATOM 820 C HIS A 66 12.484 2.872 -2.373 1.00 0.00 C ATOM 821 O HIS A 66 12.846 3.785 -1.631 1.00 0.00 O ATOM 822 CB HIS A 66 13.621 1.331 -3.981 1.00 0.00 C ATOM 823 CG HIS A 66 14.356 0.048 -4.217 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.002 -1.062 -4.906 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.617 -0.202 -3.712 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.043 -1.952 -4.807 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.005 -1.409 -4.082 1.00 0.00 N flip ATOM 0 H HIS A 66 12.395 -0.287 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 66 14.245 1.734 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.687 1.314 -4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.214 2.157 -4.373 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.195 0.482 -3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.071 -2.937 -5.250 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.896 -1.847 -3.848 1.00 0.00 H new ATOM 836 N ARG A 67 11.372 2.924 -3.095 1.00 0.00 N ATOM 837 CA ARG A 67 10.487 4.083 -3.062 1.00 0.00 C ATOM 838 C ARG A 67 9.229 3.824 -3.883 1.00 0.00 C ATOM 839 O ARG A 67 9.040 2.731 -4.415 1.00 0.00 O ATOM 840 CB ARG A 67 11.214 5.320 -3.595 1.00 0.00 C ATOM 841 CG ARG A 67 11.896 5.097 -4.934 1.00 0.00 C ATOM 842 CD ARG A 67 12.778 6.276 -5.313 1.00 0.00 C ATOM 843 NE ARG A 67 13.434 6.078 -6.605 1.00 0.00 N ATOM 844 CZ ARG A 67 14.467 5.261 -6.793 1.00 0.00 C ATOM 845 NH1 ARG A 67 14.964 4.563 -5.779 1.00 0.00 N ATOM 846 NH2 ARG A 67 15.003 5.140 -7.999 1.00 0.00 N ATOM 0 H ARG A 67 11.060 2.175 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 67 10.195 4.261 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.499 6.137 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.960 5.635 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.499 4.190 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.142 4.942 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.175 7.183 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.534 6.426 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 67 13.079 6.596 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.554 4.651 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.756 3.938 -5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.624 5.673 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.795 4.514 -8.145 1.00 0.00 H new ATOM 860 N LEU A 68 8.368 4.834 -3.983 1.00 0.00 N ATOM 861 CA LEU A 68 7.129 4.702 -4.742 1.00 0.00 C ATOM 862 C LEU A 68 7.051 5.747 -5.850 1.00 0.00 C ATOM 863 O LEU A 68 7.755 6.757 -5.816 1.00 0.00 O ATOM 864 CB LEU A 68 5.918 4.833 -3.818 1.00 0.00 C ATOM 865 CG LEU A 68 6.070 4.169 -2.449 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.835 4.414 -1.597 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.325 2.678 -2.608 1.00 0.00 C ATOM 0 H LEU A 68 8.505 5.747 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 68 7.122 3.713 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.707 5.892 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.051 4.403 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 68 6.927 4.612 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.961 3.934 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.697 5.486 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.960 3.998 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.431 2.220 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.487 2.220 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.240 2.524 -3.180 1.00 0.00 H new ATOM 879 N GLU A 69 6.193 5.496 -6.835 1.00 0.00 N ATOM 880 CA GLU A 69 6.022 6.413 -7.955 1.00 0.00 C ATOM 881 C GLU A 69 4.555 6.504 -8.363 1.00 0.00 C ATOM 882 O GLU A 69 3.861 5.491 -8.450 1.00 0.00 O ATOM 883 CB GLU A 69 6.870 5.958 -9.145 1.00 0.00 C ATOM 884 CG GLU A 69 7.529 7.102 -9.896 1.00 0.00 C ATOM 885 CD GLU A 69 8.920 6.751 -10.387 1.00 0.00 C ATOM 886 OE1 GLU A 69 9.715 6.217 -9.586 1.00 0.00 O ATOM 887 OE2 GLU A 69 9.215 7.011 -11.573 1.00 0.00 O ATOM 0 H GLU A 69 5.605 4.664 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 69 6.353 7.402 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.642 5.275 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.240 5.396 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.907 7.380 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.587 7.974 -9.245 1.00 0.00 H new ATOM 894 N HIS A 70 4.090 7.724 -8.614 1.00 0.00 N ATOM 895 CA HIS A 70 2.705 7.946 -9.015 1.00 0.00 C ATOM 896 C HIS A 70 2.387 7.204 -10.309 1.00 0.00 C ATOM 897 O HIS A 70 1.409 6.462 -10.386 1.00 0.00 O ATOM 898 CB HIS A 70 2.438 9.443 -9.191 1.00 0.00 C ATOM 899 CG HIS A 70 1.815 10.084 -7.990 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.496 9.900 -7.637 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.341 10.913 -7.056 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.234 10.589 -6.540 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.337 11.210 -6.167 1.00 0.00 N ATOM 0 H HIS A 70 4.651 8.573 -8.547 1.00 0.00 H new ATOM 0 HA HIS A 70 2.058 7.558 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.378 9.948 -9.416 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.784 9.589 -10.051 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.174 9.322 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.359 11.273 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.720 10.636 -6.035 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.429 11.814 -5.350 1.00 0.00 H new ATOM 912 N GLY A 71 3.221 7.411 -11.323 1.00 0.00 N ATOM 913 CA GLY A 71 3.011 6.756 -12.601 1.00 0.00 C ATOM 914 C GLY A 71 3.550 7.564 -13.764 1.00 0.00 C ATOM 915 O GLY A 71 3.994 7.003 -14.767 1.00 0.00 O ATOM 0 H GLY A 71 4.038 8.020 -11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.493 5.778 -12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.945 6.584 -12.746 1.00 0.00 H new ATOM 919 N ASP A 72 3.512 8.886 -13.631 1.00 0.00 N ATOM 920 CA ASP A 72 4.000 9.773 -14.682 1.00 0.00 C ATOM 921 C ASP A 72 4.496 11.091 -14.093 1.00 0.00 C ATOM 922 O ASP A 72 3.825 12.119 -14.195 1.00 0.00 O ATOM 923 CB ASP A 72 2.896 10.039 -15.706 1.00 0.00 C ATOM 924 CG ASP A 72 3.398 10.815 -16.910 1.00 0.00 C ATOM 925 OD1 ASP A 72 4.399 10.382 -17.518 1.00 0.00 O ATOM 926 OD2 ASP A 72 2.789 11.852 -17.242 1.00 0.00 O ATOM 0 H ASP A 72 3.149 9.366 -12.808 1.00 0.00 H new ATOM 0 HA ASP A 72 4.836 9.282 -15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.476 9.090 -16.038 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.089 10.595 -15.230 1.00 0.00 H new ATOM 931 N GLY A 73 5.673 11.053 -13.479 1.00 0.00 N ATOM 932 CA GLY A 73 6.237 12.252 -12.885 1.00 0.00 C ATOM 933 C GLY A 73 5.648 12.557 -11.523 1.00 0.00 C ATOM 934 O GLY A 73 4.810 13.448 -11.386 1.00 0.00 O ATOM 0 H GLY A 73 6.246 10.215 -13.382 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.317 12.134 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.065 13.099 -13.550 1.00 0.00 H new ATOM 938 N GLY A 74 6.088 11.817 -10.511 1.00 0.00 N ATOM 939 CA GLY A 74 5.589 12.028 -9.165 1.00 0.00 C ATOM 940 C GLY A 74 6.109 10.996 -8.184 1.00 0.00 C ATOM 941 O GLY A 74 5.329 10.317 -7.515 1.00 0.00 O ATOM 0 H GLY A 74 6.782 11.074 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.876 13.023 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.499 11.997 -9.176 1.00 0.00 H new ATOM 945 N ILE A 75 7.430 10.876 -8.098 1.00 0.00 N ATOM 946 CA ILE A 75 8.053 9.919 -7.193 1.00 0.00 C ATOM 947 C ILE A 75 7.755 10.263 -5.739 1.00 0.00 C ATOM 948 O ILE A 75 7.514 11.421 -5.400 1.00 0.00 O ATOM 949 CB ILE A 75 9.580 9.862 -7.390 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.923 9.781 -8.879 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.164 8.675 -6.638 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.397 9.573 -9.157 1.00 0.00 C ATOM 0 H ILE A 75 8.089 11.430 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 75 7.629 8.943 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 75 10.019 10.775 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.359 8.963 -9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.597 10.699 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.244 8.646 -6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.946 8.775 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.722 7.753 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.561 9.526 -10.234 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.967 10.403 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.726 8.640 -8.699 1.00 0.00 H new ATOM 964 N LEU A 76 7.780 9.248 -4.885 1.00 0.00 N ATOM 965 CA LEU A 76 7.516 9.435 -3.463 1.00 0.00 C ATOM 966 C LEU A 76 8.670 8.899 -2.622 1.00 0.00 C ATOM 967 O LEU A 76 9.018 7.720 -2.705 1.00 0.00 O ATOM 968 CB LEU A 76 6.214 8.738 -3.068 1.00 0.00 C ATOM 969 CG LEU A 76 4.975 9.202 -3.834 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.697 8.279 -5.009 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.769 9.268 -2.907 1.00 0.00 C ATOM 0 H LEU A 76 7.981 8.284 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 76 7.418 10.504 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.334 7.665 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.044 8.895 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 76 5.165 10.203 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.812 8.625 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.552 8.283 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.528 7.266 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.896 9.600 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.577 8.280 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.969 9.971 -2.099 1.00 0.00 H new ATOM 983 N ASP A 77 9.258 9.775 -1.812 1.00 0.00 N ATOM 984 CA ASP A 77 10.373 9.398 -0.953 1.00 0.00 C ATOM 985 C ASP A 77 9.884 9.065 0.455 1.00 0.00 C ATOM 986 O ASP A 77 8.696 8.825 0.669 1.00 0.00 O ATOM 987 CB ASP A 77 11.405 10.528 -0.903 1.00 0.00 C ATOM 988 CG ASP A 77 12.794 10.060 -1.296 1.00 0.00 C ATOM 989 OD1 ASP A 77 13.142 8.903 -0.980 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.532 10.852 -1.918 1.00 0.00 O ATOM 0 H ASP A 77 8.979 10.753 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 77 10.843 8.508 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.093 11.331 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.436 10.944 0.104 1.00 0.00 H new ATOM 995 N LEU A 78 10.807 9.047 1.412 1.00 0.00 N ATOM 996 CA LEU A 78 10.470 8.741 2.797 1.00 0.00 C ATOM 997 C LEU A 78 10.569 9.986 3.674 1.00 0.00 C ATOM 998 O LEU A 78 11.081 9.930 4.792 1.00 0.00 O ATOM 999 CB LEU A 78 11.396 7.647 3.333 1.00 0.00 C ATOM 1000 CG LEU A 78 11.701 6.518 2.348 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.769 5.592 2.910 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.433 5.740 2.022 1.00 0.00 C ATOM 0 H LEU A 78 11.796 9.241 1.253 1.00 0.00 H new ATOM 0 HA LEU A 78 9.440 8.386 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.336 8.106 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.945 7.217 4.227 1.00 0.00 H new ATOM 0 HG LEU A 78 12.081 6.958 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.972 4.795 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.682 6.158 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.418 5.158 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.667 4.940 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.024 5.311 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.699 6.411 1.576 1.00 0.00 H new ATOM 1014 N ASP A 79 10.074 11.109 3.160 1.00 0.00 N ATOM 1015 CA ASP A 79 10.107 12.367 3.898 1.00 0.00 C ATOM 1016 C ASP A 79 9.033 13.327 3.394 1.00 0.00 C ATOM 1017 O ASP A 79 9.220 14.543 3.405 1.00 0.00 O ATOM 1018 CB ASP A 79 11.484 13.018 3.774 1.00 0.00 C ATOM 1019 CG ASP A 79 12.578 12.192 4.422 1.00 0.00 C ATOM 1020 OD1 ASP A 79 12.561 12.055 5.663 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.452 11.684 3.689 1.00 0.00 O ATOM 0 H ASP A 79 9.646 11.173 2.236 1.00 0.00 H new ATOM 0 HA ASP A 79 9.907 12.147 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.720 13.164 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.458 14.006 4.234 1.00 0.00 H new ATOM 1026 N ASP A 80 7.909 12.772 2.949 1.00 0.00 N ATOM 1027 CA ASP A 80 6.808 13.584 2.439 1.00 0.00 C ATOM 1028 C ASP A 80 5.471 13.115 3.006 1.00 0.00 C ATOM 1029 O ASP A 80 5.185 11.919 3.039 1.00 0.00 O ATOM 1030 CB ASP A 80 6.773 13.525 0.909 1.00 0.00 C ATOM 1031 CG ASP A 80 6.364 14.845 0.286 1.00 0.00 C ATOM 1032 OD1 ASP A 80 6.225 15.838 1.031 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.183 14.885 -0.950 1.00 0.00 O ATOM 0 H ASP A 80 7.737 11.767 2.931 1.00 0.00 H new ATOM 0 HA ASP A 80 6.973 14.614 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.757 13.241 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.077 12.747 0.594 1.00 0.00 H new ATOM 1038 N ILE A 81 4.657 14.064 3.456 1.00 0.00 N ATOM 1039 CA ILE A 81 3.354 13.748 4.022 1.00 0.00 C ATOM 1040 C ILE A 81 2.451 13.070 2.996 1.00 0.00 C ATOM 1041 O ILE A 81 2.666 13.186 1.789 1.00 0.00 O ATOM 1042 CB ILE A 81 2.675 15.019 4.563 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.457 15.526 5.767 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.225 14.751 4.943 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.432 14.563 6.932 1.00 0.00 C ATOM 0 H ILE A 81 4.879 15.059 3.439 1.00 0.00 H new ATOM 0 HA ILE A 81 3.514 13.053 4.846 1.00 0.00 H new ATOM 0 HB ILE A 81 2.672 15.778 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.491 15.706 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.045 16.484 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.773 15.668 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.676 14.411 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.187 13.982 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.006 14.979 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.402 14.402 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.870 13.613 6.628 1.00 0.00 H new ATOM 1057 N LEU A 82 1.448 12.353 3.491 1.00 0.00 N ATOM 1058 CA LEU A 82 0.518 11.642 2.627 1.00 0.00 C ATOM 1059 C LEU A 82 -0.312 12.607 1.782 1.00 0.00 C ATOM 1060 O LEU A 82 -0.360 12.490 0.558 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.407 10.753 3.460 1.00 0.00 C ATOM 1062 CG LEU A 82 -1.501 10.031 2.670 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.887 9.146 1.598 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -2.377 9.210 3.605 1.00 0.00 C ATOM 0 H LEU A 82 1.260 12.250 4.488 1.00 0.00 H new ATOM 0 HA LEU A 82 1.105 11.020 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.199 10.008 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.880 11.366 4.228 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.126 10.779 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.679 8.640 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.301 9.758 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.240 8.404 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.150 8.703 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.765 8.470 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.844 9.868 4.337 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.972 13.550 2.444 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.810 14.526 1.753 1.00 0.00 C ATOM 1078 C CYS A 83 -0.976 15.549 0.979 1.00 0.00 C ATOM 1079 O CYS A 83 -1.523 16.380 0.255 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.711 15.249 2.754 1.00 0.00 C ATOM 1081 SG CYS A 83 -1.819 16.032 4.120 1.00 0.00 S ATOM 0 H CYS A 83 -0.944 13.661 3.458 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.421 13.980 1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.285 16.010 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.427 14.536 3.163 1.00 0.00 H new ATOM 0 HG CYS A 83 -1.564 15.146 5.037 1.00 0.00 H new ATOM 1087 N ASP A 84 0.346 15.493 1.134 1.00 0.00 N ATOM 1088 CA ASP A 84 1.229 16.428 0.445 1.00 0.00 C ATOM 1089 C ASP A 84 1.873 15.788 -0.784 1.00 0.00 C ATOM 1090 O ASP A 84 2.270 16.487 -1.718 1.00 0.00 O ATOM 1091 CB ASP A 84 2.315 16.930 1.398 1.00 0.00 C ATOM 1092 CG ASP A 84 2.805 18.318 1.034 1.00 0.00 C ATOM 1093 OD1 ASP A 84 3.561 18.442 0.046 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.434 19.283 1.736 1.00 0.00 O ATOM 0 H ASP A 84 0.825 14.815 1.726 1.00 0.00 H new ATOM 0 HA ASP A 84 0.623 17.270 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.925 16.940 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.155 16.236 1.385 1.00 0.00 H new ATOM 1099 N VAL A 85 1.982 14.462 -0.780 1.00 0.00 N ATOM 1100 CA VAL A 85 2.588 13.748 -1.900 1.00 0.00 C ATOM 1101 C VAL A 85 1.563 12.892 -2.640 1.00 0.00 C ATOM 1102 O VAL A 85 1.643 12.725 -3.857 1.00 0.00 O ATOM 1103 CB VAL A 85 3.751 12.850 -1.432 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.249 11.757 -0.500 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.478 12.253 -2.627 1.00 0.00 C ATOM 0 H VAL A 85 1.661 13.864 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 85 2.974 14.507 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 85 4.458 13.466 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.087 11.136 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.782 12.210 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.518 11.140 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.295 11.622 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.782 11.653 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.878 13.055 -3.247 1.00 0.00 H new ATOM 1115 N ALA A 86 0.605 12.345 -1.899 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.427 11.502 -2.487 1.00 0.00 C ATOM 1117 C ALA A 86 -1.788 12.188 -2.452 1.00 0.00 C ATOM 1118 O ALA A 86 -1.939 13.264 -1.875 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.494 10.167 -1.763 1.00 0.00 C ATOM 0 H ALA A 86 0.523 12.471 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.163 11.328 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.270 9.547 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.468 9.660 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.728 10.335 -0.712 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.778 11.551 -3.073 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.130 12.093 -3.112 1.00 0.00 C ATOM 1127 C ASP A 87 -5.159 11.001 -2.835 1.00 0.00 C ATOM 1128 O ASP A 87 -4.893 9.817 -3.042 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.405 12.737 -4.473 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.034 11.826 -5.628 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -2.826 11.589 -5.832 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.953 11.350 -6.327 1.00 0.00 O ATOM 0 H ASP A 87 -2.667 10.659 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.214 12.853 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.461 12.996 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.843 13.667 -4.552 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.334 11.408 -2.365 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.407 10.466 -2.056 1.00 0.00 C ATOM 1139 C ASP A 88 -7.693 9.552 -3.245 1.00 0.00 C ATOM 1140 O ASP A 88 -7.924 10.019 -4.360 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.678 11.220 -1.663 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.565 10.413 -0.735 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -10.361 9.593 -1.239 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.465 10.602 0.495 1.00 0.00 O ATOM 0 H ASP A 88 -6.569 12.385 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.082 9.850 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.406 12.157 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.237 11.478 -2.562 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.675 8.246 -2.997 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.930 7.264 -4.046 1.00 0.00 C ATOM 1151 C LYS A 89 -6.928 7.415 -5.187 1.00 0.00 C ATOM 1152 O LYS A 89 -7.278 7.859 -6.281 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.358 7.416 -4.577 1.00 0.00 C ATOM 1154 CG LYS A 89 -9.917 6.139 -5.187 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.101 6.270 -6.690 1.00 0.00 C ATOM 1156 CE LYS A 89 -10.911 5.113 -7.255 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.344 5.474 -7.433 1.00 0.00 N ATOM 0 H LYS A 89 -7.487 7.843 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.814 6.269 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.008 7.735 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.376 8.206 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.244 5.308 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.874 5.902 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.603 7.211 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.126 6.304 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.491 4.810 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.833 4.255 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.862 4.659 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.752 5.739 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.421 6.277 -8.090 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.680 7.043 -4.924 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.626 7.138 -5.930 1.00 0.00 C ATOM 1173 C ASP A 90 -3.862 5.824 -6.048 1.00 0.00 C ATOM 1174 O ASP A 90 -3.494 5.216 -5.043 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.661 8.272 -5.579 1.00 0.00 C ATOM 1176 CG ASP A 90 -2.859 8.740 -6.778 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.444 9.401 -7.661 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.647 8.445 -6.834 1.00 0.00 O ATOM 0 H ASP A 90 -5.373 6.673 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.095 7.350 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.224 9.112 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.979 7.936 -4.798 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.623 5.394 -7.283 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.899 4.153 -7.534 1.00 0.00 C ATOM 1185 C ARG A 91 -1.438 4.436 -7.864 1.00 0.00 C ATOM 1186 O ARG A 91 -1.126 5.027 -8.898 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.554 3.381 -8.682 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.892 2.762 -8.314 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.771 2.566 -9.539 1.00 0.00 C ATOM 1190 NE ARG A 91 -6.018 3.823 -10.242 1.00 0.00 N ATOM 1191 CZ ARG A 91 -6.643 3.907 -11.415 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -7.085 2.809 -12.018 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -6.828 5.088 -11.985 1.00 0.00 N ATOM 0 H ARG A 91 -3.920 5.887 -8.125 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.938 3.547 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.695 4.054 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.877 2.593 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.728 1.802 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.405 3.402 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.295 1.859 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.722 2.127 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.693 4.687 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.946 1.897 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.563 2.878 -12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.492 5.934 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.307 5.151 -12.883 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.542 4.013 -6.977 1.00 0.00 N ATOM 1208 CA LEU A 92 0.888 4.224 -7.172 1.00 0.00 C ATOM 1209 C LEU A 92 1.627 2.895 -7.295 1.00 0.00 C ATOM 1210 O LEU A 92 1.076 1.836 -6.992 1.00 0.00 O ATOM 1211 CB LEU A 92 1.468 5.034 -6.012 1.00 0.00 C ATOM 1212 CG LEU A 92 0.574 6.170 -5.503 1.00 0.00 C ATOM 1213 CD1 LEU A 92 -0.061 5.795 -4.173 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.374 7.459 -5.368 1.00 0.00 C ATOM 0 H LEU A 92 -0.782 3.522 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 92 1.021 4.780 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.675 4.356 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.423 5.456 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.222 6.333 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.692 6.614 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.667 4.898 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.721 5.604 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.723 8.255 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.191 7.308 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.781 7.738 -6.340 1.00 0.00 H new ATOM 1226 N VAL A 93 2.879 2.961 -7.736 1.00 0.00 N ATOM 1227 CA VAL A 93 3.700 1.767 -7.897 1.00 0.00 C ATOM 1228 C VAL A 93 4.773 1.699 -6.814 1.00 0.00 C ATOM 1229 O VAL A 93 5.344 2.720 -6.429 1.00 0.00 O ATOM 1230 CB VAL A 93 4.378 1.723 -9.280 1.00 0.00 C ATOM 1231 CG1 VAL A 93 3.486 1.019 -10.291 1.00 0.00 C ATOM 1232 CG2 VAL A 93 4.738 3.122 -9.759 1.00 0.00 C ATOM 0 H VAL A 93 3.348 3.831 -7.989 1.00 0.00 H new ATOM 0 HA VAL A 93 3.033 0.909 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 93 5.303 1.155 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.982 0.998 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.295 -0.001 -9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.541 1.555 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.215 3.060 -10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.833 3.725 -9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.424 3.584 -9.049 1.00 0.00 H new ATOM 1242 N ALA A 94 5.041 0.492 -6.324 1.00 0.00 N ATOM 1243 CA ALA A 94 6.043 0.298 -5.282 1.00 0.00 C ATOM 1244 C ALA A 94 7.240 -0.492 -5.799 1.00 0.00 C ATOM 1245 O ALA A 94 7.104 -1.636 -6.234 1.00 0.00 O ATOM 1246 CB ALA A 94 5.424 -0.406 -4.084 1.00 0.00 C ATOM 0 H ALA A 94 4.579 -0.364 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 94 6.401 1.280 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.181 -0.545 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.609 0.199 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.037 -1.377 -4.393 1.00 0.00 H new ATOM 1252 N VAL A 95 8.416 0.128 -5.740 1.00 0.00 N ATOM 1253 CA VAL A 95 9.646 -0.512 -6.190 1.00 0.00 C ATOM 1254 C VAL A 95 10.493 -0.944 -4.997 1.00 0.00 C ATOM 1255 O VAL A 95 10.973 -0.109 -4.228 1.00 0.00 O ATOM 1256 CB VAL A 95 10.477 0.426 -7.087 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.678 -0.310 -7.664 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.615 1.008 -8.198 1.00 0.00 C ATOM 0 H VAL A 95 8.542 1.075 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 95 9.359 -1.387 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 95 10.845 1.250 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.252 0.369 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.308 -0.671 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.335 -1.156 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.220 1.667 -8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.214 0.199 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.793 1.575 -7.761 1.00 0.00 H new ATOM 1268 N PHE A 96 10.665 -2.251 -4.840 1.00 0.00 N ATOM 1269 CA PHE A 96 11.441 -2.785 -3.728 1.00 0.00 C ATOM 1270 C PHE A 96 12.214 -4.034 -4.135 1.00 0.00 C ATOM 1271 O PHE A 96 12.170 -4.460 -5.290 1.00 0.00 O ATOM 1272 CB PHE A 96 10.514 -3.114 -2.557 1.00 0.00 C ATOM 1273 CG PHE A 96 9.562 -4.236 -2.850 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.610 -4.109 -3.849 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.619 -5.418 -2.132 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.735 -5.141 -4.126 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.746 -6.454 -2.402 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.802 -6.315 -3.401 1.00 0.00 C ATOM 0 H PHE A 96 10.279 -2.958 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 96 12.161 -2.024 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.117 -3.376 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.944 -2.223 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.552 -3.193 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.356 -5.532 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.999 -5.030 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.801 -7.371 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.118 -7.123 -3.615 1.00 0.00 H new ATOM 1288 N ASP A 97 12.906 -4.623 -3.167 1.00 0.00 N ATOM 1289 CA ASP A 97 13.681 -5.834 -3.396 1.00 0.00 C ATOM 1290 C ASP A 97 13.108 -6.977 -2.569 1.00 0.00 C ATOM 1291 O ASP A 97 12.438 -6.746 -1.563 1.00 0.00 O ATOM 1292 CB ASP A 97 15.148 -5.604 -3.032 1.00 0.00 C ATOM 1293 CG ASP A 97 16.040 -5.521 -4.256 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.973 -6.437 -5.103 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.805 -4.541 -4.367 1.00 0.00 O ATOM 0 H ASP A 97 12.945 -4.277 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 97 13.624 -6.095 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.237 -4.682 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.492 -6.414 -2.389 1.00 0.00 H new ATOM 1300 N GLU A 98 13.368 -8.210 -2.990 1.00 0.00 N ATOM 1301 CA GLU A 98 12.864 -9.373 -2.272 1.00 0.00 C ATOM 1302 C GLU A 98 13.695 -10.616 -2.572 1.00 0.00 C ATOM 1303 O GLU A 98 13.998 -10.906 -3.729 1.00 0.00 O ATOM 1304 CB GLU A 98 11.402 -9.630 -2.642 1.00 0.00 C ATOM 1305 CG GLU A 98 11.145 -9.637 -4.141 1.00 0.00 C ATOM 1306 CD GLU A 98 10.505 -10.927 -4.617 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.362 -11.213 -4.200 1.00 0.00 O ATOM 1308 OE2 GLU A 98 11.144 -11.651 -5.409 1.00 0.00 O ATOM 0 H GLU A 98 13.921 -8.428 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 98 12.938 -9.161 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.093 -10.588 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.779 -8.865 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.498 -8.798 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.087 -9.487 -4.668 1.00 0.00 H new ATOM 1315 N GLN A 99 14.055 -11.353 -1.523 1.00 0.00 N ATOM 1316 CA GLN A 99 14.845 -12.571 -1.691 1.00 0.00 C ATOM 1317 C GLN A 99 13.957 -13.810 -1.591 1.00 0.00 C ATOM 1318 O GLN A 99 14.068 -14.592 -0.647 1.00 0.00 O ATOM 1319 CB GLN A 99 15.969 -12.645 -0.655 1.00 0.00 C ATOM 1320 CG GLN A 99 16.787 -13.926 -0.722 1.00 0.00 C ATOM 1321 CD GLN A 99 17.139 -14.467 0.649 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.101 -14.022 1.276 1.00 0.00 O ATOM 1323 NE2 GLN A 99 16.360 -15.431 1.124 1.00 0.00 N ATOM 0 H GLN A 99 13.815 -11.131 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 99 15.294 -12.541 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.635 -11.793 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.538 -12.553 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.227 -14.681 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.704 -13.738 -1.280 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.573 -15.770 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.548 -15.833 2.042 1.00 0.00 H new ATOM 1332 N ASP A 100 13.077 -13.981 -2.571 1.00 0.00 N ATOM 1333 CA ASP A 100 12.171 -15.124 -2.593 1.00 0.00 C ATOM 1334 C ASP A 100 12.778 -16.284 -3.374 1.00 0.00 C ATOM 1335 O ASP A 100 12.590 -17.444 -2.950 1.00 0.00 O ATOM 1336 CB ASP A 100 10.828 -14.726 -3.210 1.00 0.00 C ATOM 1337 CG ASP A 100 9.774 -15.803 -3.041 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.272 -15.970 -1.910 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.450 -16.479 -4.040 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.437 -16.024 -4.403 1.00 0.00 O ATOM 0 H ASP A 100 12.971 -13.343 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 100 12.009 -15.447 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.478 -13.803 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.966 -14.519 -4.271 1.00 0.00 H new