USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 23 ASN : amide:sc= 1.09 K(o=2.3,f=-0.28) USER MOD Set 1.2: A 26 THR OG1 : rot 135:sc= 1.25 USER MOD Set 2.1: A 2 TYR OH : rot -61:sc= 1.24 USER MOD Set 2.2: A 6 SER OG : rot -117:sc= 0.868 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.11) USER MOD Single : A 12 GLN : amide:sc= 2.12 K(o=2.1,f=-7.5!) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -1.14! (180deg=-1.21!) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.0359 (180deg=-0.151) USER MOD Single : A 21 GLN : amide:sc= -0.0298 K(o=-0.03,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= 1.13 K(o=1.1,f=-0.016) USER MOD Single : A 32 SER OG : rot -79:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 1.84 (180deg=0.372) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 164:sc= -0.332 (180deg=-1.03) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -136:sc= 1.23 USER MOD Single : A 62 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= 2.34 (180deg=1.22) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 2.3 (180deg=1.63) USER MOD Single : A 67 GLN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.223 -2.129 6.475 1.00 0.00 N ATOM 11 CA TYR A 2 -14.022 -2.244 7.337 1.00 0.00 C ATOM 12 C TYR A 2 -12.753 -1.868 6.586 1.00 0.00 C ATOM 13 O TYR A 2 -12.144 -0.854 6.908 1.00 0.00 O ATOM 14 CB TYR A 2 -13.943 -3.596 8.076 1.00 0.00 C ATOM 15 CG TYR A 2 -12.701 -3.711 8.943 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.465 -2.751 9.945 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.731 -4.702 8.685 1.00 0.00 C ATOM 18 CE1 TYR A 2 -11.230 -2.712 10.610 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.500 -4.686 9.371 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.226 -3.653 10.296 1.00 0.00 C ATOM 21 OH TYR A 2 -8.961 -3.453 10.750 1.00 0.00 O ATOM 0 HA TYR A 2 -14.122 -1.507 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.830 -3.719 8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.950 -4.406 7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.237 -2.042 10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.932 -5.476 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -11.047 -1.960 11.364 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.769 -5.460 9.191 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.613 -2.611 10.390 1.00 0.00 H new ATOM 31 N PHE A 3 -12.455 -2.593 5.518 1.00 0.00 N ATOM 32 CA PHE A 3 -11.405 -2.413 4.540 1.00 0.00 C ATOM 33 C PHE A 3 -10.969 -0.968 4.306 1.00 0.00 C ATOM 34 O PHE A 3 -9.795 -0.777 4.040 1.00 0.00 O ATOM 35 CB PHE A 3 -11.906 -2.958 3.206 1.00 0.00 C ATOM 36 CG PHE A 3 -11.921 -4.446 2.955 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.725 -5.397 3.978 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.132 -4.869 1.629 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.745 -6.765 3.662 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.135 -6.234 1.314 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.937 -7.176 2.332 1.00 0.00 C ATOM 0 H PHE A 3 -13.013 -3.417 5.295 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.536 -2.938 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.925 -2.596 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.300 -2.503 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.561 -5.076 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.292 -4.138 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.613 -7.501 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.289 -6.557 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.932 -8.229 2.092 1.00 0.00 H new ATOM 51 N CYS A 4 -11.859 0.033 4.290 1.00 0.00 N ATOM 52 CA CYS A 4 -11.443 1.412 4.053 1.00 0.00 C ATOM 53 C CYS A 4 -10.455 1.872 5.138 1.00 0.00 C ATOM 54 O CYS A 4 -9.426 2.458 4.808 1.00 0.00 O ATOM 55 CB CYS A 4 -12.651 2.351 3.978 1.00 0.00 C ATOM 56 SG CYS A 4 -12.245 3.880 3.097 1.00 0.00 S ATOM 0 H CYS A 4 -12.861 -0.089 4.437 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.936 1.450 3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.475 1.847 3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.992 2.589 4.986 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.294 4.647 3.053 1.00 0.00 H new ATOM 61 N GLU A 5 -10.745 1.585 6.414 1.00 0.00 N ATOM 62 CA GLU A 5 -9.850 1.836 7.544 1.00 0.00 C ATOM 63 C GLU A 5 -8.567 1.071 7.284 1.00 0.00 C ATOM 64 O GLU A 5 -7.484 1.660 7.273 1.00 0.00 O ATOM 65 CB GLU A 5 -10.516 1.365 8.858 1.00 0.00 C ATOM 66 CG GLU A 5 -9.625 1.380 10.119 1.00 0.00 C ATOM 67 CD GLU A 5 -8.582 0.248 10.242 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.855 -0.921 9.883 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.481 0.536 10.762 1.00 0.00 O ATOM 0 H GLU A 5 -11.630 1.162 6.692 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.637 2.900 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.386 1.995 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.884 0.349 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.098 2.334 10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.273 1.343 10.995 1.00 0.00 H new ATOM 76 N SER A 6 -8.716 -0.229 7.030 1.00 0.00 N ATOM 77 CA SER A 6 -7.589 -1.134 6.889 1.00 0.00 C ATOM 78 C SER A 6 -6.629 -0.649 5.803 1.00 0.00 C ATOM 79 O SER A 6 -5.440 -0.474 6.043 1.00 0.00 O ATOM 80 CB SER A 6 -8.118 -2.537 6.590 1.00 0.00 C ATOM 81 OG SER A 6 -9.279 -2.800 7.352 1.00 0.00 O ATOM 0 H SER A 6 -9.624 -0.679 6.917 1.00 0.00 H new ATOM 0 HA SER A 6 -7.021 -1.160 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.344 -2.628 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.351 -3.278 6.817 1.00 0.00 H new ATOM 0 HG SER A 6 -9.107 -3.547 7.963 1.00 0.00 H new ATOM 87 N CYS A 7 -7.163 -0.410 4.611 1.00 0.00 N ATOM 88 CA CYS A 7 -6.500 0.071 3.418 1.00 0.00 C ATOM 89 C CYS A 7 -5.846 1.422 3.686 1.00 0.00 C ATOM 90 O CYS A 7 -4.672 1.581 3.362 1.00 0.00 O ATOM 91 CB CYS A 7 -7.545 0.117 2.298 1.00 0.00 C ATOM 92 SG CYS A 7 -7.012 0.754 0.697 1.00 0.00 S ATOM 0 H CYS A 7 -8.158 -0.563 4.447 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.691 -0.593 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.925 -0.894 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.382 0.725 2.642 1.00 0.00 H new ATOM 97 N ARG A 8 -6.547 2.376 4.314 1.00 0.00 N ATOM 98 CA ARG A 8 -5.953 3.666 4.659 1.00 0.00 C ATOM 99 C ARG A 8 -4.753 3.463 5.577 1.00 0.00 C ATOM 100 O ARG A 8 -3.703 4.033 5.307 1.00 0.00 O ATOM 101 CB ARG A 8 -7.014 4.620 5.246 1.00 0.00 C ATOM 102 CG ARG A 8 -6.467 6.031 5.555 1.00 0.00 C ATOM 103 CD ARG A 8 -6.294 6.307 7.057 1.00 0.00 C ATOM 104 NE ARG A 8 -5.476 7.519 7.297 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.700 8.528 8.154 1.00 0.00 C ATOM 106 NH1 ARG A 8 -6.778 8.544 8.939 1.00 0.00 N ATOM 107 NH2 ARG A 8 -4.827 9.526 8.217 1.00 0.00 N ATOM 0 H ARG A 8 -7.523 2.275 4.591 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.581 4.148 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.843 4.706 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.416 4.186 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.505 6.156 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.143 6.774 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.273 6.430 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.822 5.448 7.534 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.628 7.597 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.452 7.780 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.928 9.321 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.000 9.519 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.983 10.300 8.863 1.00 0.00 H new ATOM 121 N LYS A 9 -4.885 2.678 6.647 1.00 0.00 N ATOM 122 CA LYS A 9 -3.800 2.401 7.585 1.00 0.00 C ATOM 123 C LYS A 9 -2.620 1.743 6.863 1.00 0.00 C ATOM 124 O LYS A 9 -1.481 2.168 7.048 1.00 0.00 O ATOM 125 CB LYS A 9 -4.373 1.546 8.727 1.00 0.00 C ATOM 126 CG LYS A 9 -3.348 1.224 9.824 1.00 0.00 C ATOM 127 CD LYS A 9 -4.010 0.510 11.014 1.00 0.00 C ATOM 128 CE LYS A 9 -4.782 1.497 11.905 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.772 0.813 12.764 1.00 0.00 N ATOM 0 H LYS A 9 -5.760 2.212 6.888 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.401 3.321 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.219 2.069 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.757 0.613 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.558 0.595 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.877 2.145 10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.690 -0.258 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.247 0.004 11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.079 2.047 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.291 2.229 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.895 1.349 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.683 0.754 12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.436 -0.146 12.985 1.00 0.00 H new ATOM 143 N ILE A 10 -2.896 0.721 6.052 1.00 0.00 N ATOM 144 CA ILE A 10 -1.929 -0.037 5.268 1.00 0.00 C ATOM 145 C ILE A 10 -1.145 0.916 4.363 1.00 0.00 C ATOM 146 O ILE A 10 0.076 0.997 4.484 1.00 0.00 O ATOM 147 CB ILE A 10 -2.665 -1.192 4.536 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.948 -2.325 5.548 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.868 -1.757 3.352 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.002 -3.339 5.079 1.00 0.00 C ATOM 0 H ILE A 10 -3.850 0.385 5.920 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.179 -0.516 5.898 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.591 -0.783 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.017 -2.854 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.278 -1.883 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.435 -2.561 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.688 -0.966 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.914 -2.146 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.141 -4.100 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.947 -2.826 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.667 -3.812 4.156 1.00 0.00 H new ATOM 162 N ILE A 11 -1.834 1.633 3.472 1.00 0.00 N ATOM 163 CA ILE A 11 -1.215 2.567 2.542 1.00 0.00 C ATOM 164 C ILE A 11 -0.440 3.647 3.280 1.00 0.00 C ATOM 165 O ILE A 11 0.697 3.899 2.914 1.00 0.00 O ATOM 166 CB ILE A 11 -2.225 3.082 1.514 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.284 1.957 0.457 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.858 4.431 0.872 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.593 1.955 -0.272 1.00 0.00 C ATOM 0 H ILE A 11 -2.848 1.577 3.379 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.465 2.039 1.953 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.182 3.291 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.470 2.084 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.135 0.992 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.630 4.716 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.781 5.194 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.902 4.340 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.599 1.151 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.405 1.802 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.729 2.911 -0.778 1.00 0.00 H new ATOM 181 N GLN A 12 -1.013 4.280 4.302 1.00 0.00 N ATOM 182 CA GLN A 12 -0.319 5.359 4.991 1.00 0.00 C ATOM 183 C GLN A 12 0.980 4.887 5.630 1.00 0.00 C ATOM 184 O GLN A 12 1.970 5.599 5.528 1.00 0.00 O ATOM 185 CB GLN A 12 -1.238 6.045 5.999 1.00 0.00 C ATOM 186 CG GLN A 12 -2.308 6.855 5.251 1.00 0.00 C ATOM 187 CD GLN A 12 -2.170 8.347 5.503 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.930 8.884 6.310 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.256 9.025 4.832 1.00 0.00 N ATOM 0 H GLN A 12 -1.942 4.067 4.665 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.041 6.101 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.712 5.301 6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.658 6.701 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.230 6.659 4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.298 6.524 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.646 8.543 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.161 10.031 4.974 1.00 0.00 H new ATOM 198 N LYS A 13 1.031 3.700 6.253 1.00 0.00 N ATOM 199 CA LYS A 13 2.303 3.215 6.785 1.00 0.00 C ATOM 200 C LYS A 13 3.306 2.958 5.659 1.00 0.00 C ATOM 201 O LYS A 13 4.502 3.077 5.915 1.00 0.00 O ATOM 202 CB LYS A 13 2.064 1.947 7.627 1.00 0.00 C ATOM 203 CG LYS A 13 3.301 1.422 8.384 1.00 0.00 C ATOM 204 CD LYS A 13 3.698 2.272 9.608 1.00 0.00 C ATOM 205 CE LYS A 13 5.157 2.747 9.565 1.00 0.00 C ATOM 206 NZ LYS A 13 5.338 3.829 8.587 1.00 0.00 N ATOM 0 H LYS A 13 0.234 3.080 6.396 1.00 0.00 H new ATOM 0 HA LYS A 13 2.733 3.982 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.275 2.153 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.697 1.158 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.107 0.401 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.145 1.380 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.041 3.140 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.539 1.689 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.458 3.093 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.807 1.910 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.308 4.198 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.171 3.462 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.663 4.594 8.787 1.00 0.00 H new ATOM 220 N LEU A 14 2.838 2.579 4.468 1.00 0.00 N ATOM 221 CA LEU A 14 3.662 2.291 3.298 1.00 0.00 C ATOM 222 C LEU A 14 4.263 3.597 2.793 1.00 0.00 C ATOM 223 O LEU A 14 5.465 3.674 2.597 1.00 0.00 O ATOM 224 CB LEU A 14 2.774 1.646 2.219 1.00 0.00 C ATOM 225 CG LEU A 14 3.482 0.817 1.138 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.390 0.461 0.120 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.692 1.462 0.465 1.00 0.00 C ATOM 0 H LEU A 14 1.841 2.461 4.288 1.00 0.00 H new ATOM 0 HA LEU A 14 4.470 1.604 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.048 1.004 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.212 2.438 1.725 1.00 0.00 H new ATOM 0 HG LEU A 14 3.935 -0.053 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.823 -0.133 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.606 -0.113 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.965 1.376 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.103 0.778 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.386 2.387 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.452 1.682 1.215 1.00 0.00 H new ATOM 239 N GLU A 15 3.412 4.600 2.602 1.00 0.00 N ATOM 240 CA GLU A 15 3.703 5.950 2.152 1.00 0.00 C ATOM 241 C GLU A 15 4.765 6.561 3.071 1.00 0.00 C ATOM 242 O GLU A 15 5.823 6.965 2.601 1.00 0.00 O ATOM 243 CB GLU A 15 2.336 6.672 2.143 1.00 0.00 C ATOM 244 CG GLU A 15 2.272 8.112 1.624 1.00 0.00 C ATOM 245 CD GLU A 15 0.830 8.668 1.623 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.001 8.269 2.480 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.535 9.529 0.757 1.00 0.00 O ATOM 0 H GLU A 15 2.415 4.474 2.774 1.00 0.00 H new ATOM 0 HA GLU A 15 4.135 6.020 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.649 6.073 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.954 6.670 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.905 8.748 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.675 8.150 0.612 1.00 0.00 H new ATOM 254 N ASP A 16 4.516 6.538 4.382 1.00 0.00 N ATOM 255 CA ASP A 16 5.450 6.950 5.432 1.00 0.00 C ATOM 256 C ASP A 16 6.778 6.186 5.344 1.00 0.00 C ATOM 257 O ASP A 16 7.832 6.810 5.406 1.00 0.00 O ATOM 258 CB ASP A 16 4.678 6.752 6.753 1.00 0.00 C ATOM 259 CG ASP A 16 5.400 6.607 8.092 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.554 6.135 8.135 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.645 6.419 9.076 1.00 0.00 O ATOM 0 H ASP A 16 3.622 6.219 4.756 1.00 0.00 H new ATOM 0 HA ASP A 16 5.763 7.990 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.998 7.598 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.062 5.861 6.628 1.00 0.00 H new ATOM 266 N MET A 17 6.750 4.860 5.153 1.00 0.00 N ATOM 267 CA MET A 17 7.975 4.074 5.032 1.00 0.00 C ATOM 268 C MET A 17 8.786 4.411 3.786 1.00 0.00 C ATOM 269 O MET A 17 9.992 4.601 3.907 1.00 0.00 O ATOM 270 CB MET A 17 7.713 2.557 5.060 1.00 0.00 C ATOM 271 CG MET A 17 7.544 2.010 6.479 1.00 0.00 C ATOM 272 SD MET A 17 7.016 0.271 6.653 1.00 0.00 S ATOM 273 CE MET A 17 7.877 -0.522 5.261 1.00 0.00 C ATOM 0 H MET A 17 5.891 4.314 5.080 1.00 0.00 H new ATOM 0 HA MET A 17 8.559 4.351 5.910 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.816 2.337 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.540 2.041 4.573 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.494 2.127 7.000 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.817 2.636 6.997 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.745 -1.602 5.320 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.463 -0.156 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.940 -0.283 5.307 1.00 0.00 H new ATOM 283 N VAL A 18 8.201 4.254 2.594 1.00 0.00 N ATOM 284 CA VAL A 18 8.949 4.436 1.357 1.00 0.00 C ATOM 285 C VAL A 18 9.467 5.881 1.248 1.00 0.00 C ATOM 286 O VAL A 18 10.524 6.108 0.666 1.00 0.00 O ATOM 287 CB VAL A 18 8.142 3.940 0.144 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.112 4.937 -0.383 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.057 3.392 -0.952 1.00 0.00 C ATOM 0 H VAL A 18 7.221 4.004 2.465 1.00 0.00 H new ATOM 0 HA VAL A 18 9.841 3.810 1.370 1.00 0.00 H new ATOM 0 HB VAL A 18 7.539 3.110 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.591 4.504 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.393 5.167 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.617 5.852 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.453 3.051 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.735 4.177 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.636 2.557 -0.559 1.00 0.00 H new ATOM 299 N GLY A 19 8.720 6.844 1.805 1.00 0.00 N ATOM 300 CA GLY A 19 9.040 8.256 1.753 1.00 0.00 C ATOM 301 C GLY A 19 8.647 8.877 0.403 1.00 0.00 C ATOM 302 O GLY A 19 7.807 8.327 -0.318 1.00 0.00 O ATOM 0 H GLY A 19 7.858 6.646 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.522 8.777 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.108 8.394 1.920 1.00 0.00 H new ATOM 306 N PRO A 20 9.157 10.080 0.088 1.00 0.00 N ATOM 307 CA PRO A 20 8.823 10.792 -1.130 1.00 0.00 C ATOM 308 C PRO A 20 9.464 10.119 -2.346 1.00 0.00 C ATOM 309 O PRO A 20 10.392 9.325 -2.232 1.00 0.00 O ATOM 310 CB PRO A 20 9.352 12.215 -0.922 1.00 0.00 C ATOM 311 CG PRO A 20 10.582 11.992 -0.051 1.00 0.00 C ATOM 312 CD PRO A 20 10.155 10.822 0.832 1.00 0.00 C ATOM 0 HA PRO A 20 7.751 10.794 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.607 12.694 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.617 12.852 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.462 11.751 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.828 12.876 0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.008 10.188 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.746 11.180 1.777 1.00 0.00 H new ATOM 320 N GLN A 21 8.947 10.522 -3.504 1.00 0.00 N ATOM 321 CA GLN A 21 9.269 10.115 -4.877 1.00 0.00 C ATOM 322 C GLN A 21 9.992 8.751 -4.961 1.00 0.00 C ATOM 323 O GLN A 21 11.155 8.697 -5.363 1.00 0.00 O ATOM 324 CB GLN A 21 10.042 11.241 -5.597 1.00 0.00 C ATOM 325 CG GLN A 21 9.206 12.503 -5.878 1.00 0.00 C ATOM 326 CD GLN A 21 8.936 13.346 -4.633 1.00 0.00 C ATOM 327 OE1 GLN A 21 7.937 13.161 -3.944 1.00 0.00 O ATOM 328 NE2 GLN A 21 9.818 14.274 -4.299 1.00 0.00 N ATOM 0 H GLN A 21 8.206 11.223 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 21 8.325 9.958 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.905 11.518 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.426 10.856 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.724 13.115 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.255 12.208 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.646 14.422 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.670 14.841 -3.464 1.00 0.00 H new ATOM 337 N PRO A 22 9.317 7.644 -4.598 1.00 0.00 N ATOM 338 CA PRO A 22 9.910 6.316 -4.621 1.00 0.00 C ATOM 339 C PRO A 22 9.944 5.760 -6.059 1.00 0.00 C ATOM 340 O PRO A 22 9.528 6.420 -7.013 1.00 0.00 O ATOM 341 CB PRO A 22 9.021 5.509 -3.683 1.00 0.00 C ATOM 342 CG PRO A 22 7.639 6.078 -3.974 1.00 0.00 C ATOM 343 CD PRO A 22 7.936 7.567 -4.133 1.00 0.00 C ATOM 0 HA PRO A 22 10.951 6.292 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.073 4.441 -3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.304 5.643 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.203 5.650 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.939 5.886 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.255 8.028 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.811 8.095 -3.188 1.00 0.00 H new ATOM 351 N ASN A 23 10.331 4.492 -6.221 1.00 0.00 N ATOM 352 CA ASN A 23 10.440 3.804 -7.509 1.00 0.00 C ATOM 353 C ASN A 23 9.887 2.385 -7.359 1.00 0.00 C ATOM 354 O ASN A 23 9.848 1.837 -6.260 1.00 0.00 O ATOM 355 CB ASN A 23 11.896 3.768 -8.007 1.00 0.00 C ATOM 356 CG ASN A 23 12.777 2.892 -7.126 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.944 3.177 -5.951 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.338 1.806 -7.636 1.00 0.00 N ATOM 0 H ASN A 23 10.585 3.897 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 23 9.860 4.351 -8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.920 3.394 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.297 4.781 -8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.912 1.204 -7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.196 1.572 -8.618 1.00 0.00 H new ATOM 365 N GLU A 24 9.453 1.813 -8.484 1.00 0.00 N ATOM 366 CA GLU A 24 8.756 0.531 -8.636 1.00 0.00 C ATOM 367 C GLU A 24 9.294 -0.612 -7.762 1.00 0.00 C ATOM 368 O GLU A 24 8.486 -1.322 -7.156 1.00 0.00 O ATOM 369 CB GLU A 24 8.817 0.192 -10.139 1.00 0.00 C ATOM 370 CG GLU A 24 8.234 -1.161 -10.599 1.00 0.00 C ATOM 371 CD GLU A 24 6.764 -1.054 -11.012 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.891 -0.912 -10.126 1.00 0.00 O ATOM 373 OE2 GLU A 24 6.472 -1.016 -12.232 1.00 0.00 O ATOM 0 H GLU A 24 9.590 2.270 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 24 7.732 0.638 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.297 0.982 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.862 0.228 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.818 -1.538 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.330 -1.888 -9.792 1.00 0.00 H new ATOM 380 N ASP A 25 10.618 -0.760 -7.624 1.00 0.00 N ATOM 381 CA ASP A 25 11.176 -1.811 -6.769 1.00 0.00 C ATOM 382 C ASP A 25 10.962 -1.451 -5.309 1.00 0.00 C ATOM 383 O ASP A 25 10.316 -2.201 -4.583 1.00 0.00 O ATOM 384 CB ASP A 25 12.663 -2.080 -7.002 1.00 0.00 C ATOM 385 CG ASP A 25 13.107 -3.117 -5.959 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.728 -4.294 -6.129 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.724 -2.703 -4.952 1.00 0.00 O ATOM 0 H ASP A 25 11.313 -0.174 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 25 10.646 -2.726 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.833 -2.453 -8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.241 -1.161 -6.901 1.00 0.00 H new ATOM 392 N THR A 26 11.448 -0.284 -4.883 1.00 0.00 N ATOM 393 CA THR A 26 11.409 0.131 -3.492 1.00 0.00 C ATOM 394 C THR A 26 9.966 0.113 -2.986 1.00 0.00 C ATOM 395 O THR A 26 9.731 -0.313 -1.860 1.00 0.00 O ATOM 396 CB THR A 26 12.077 1.506 -3.345 1.00 0.00 C ATOM 397 OG1 THR A 26 13.321 1.482 -4.010 1.00 0.00 O ATOM 398 CG2 THR A 26 12.389 1.846 -1.886 1.00 0.00 C ATOM 0 H THR A 26 11.882 0.400 -5.503 1.00 0.00 H new ATOM 0 HA THR A 26 11.971 -0.567 -2.872 1.00 0.00 H new ATOM 0 HB THR A 26 11.385 2.240 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.424 2.299 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.860 2.827 -1.834 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.464 1.856 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.065 1.097 -1.474 1.00 0.00 H new ATOM 406 N VAL A 27 8.980 0.490 -3.807 1.00 0.00 N ATOM 407 CA VAL A 27 7.578 0.370 -3.422 1.00 0.00 C ATOM 408 C VAL A 27 7.196 -1.111 -3.291 1.00 0.00 C ATOM 409 O VAL A 27 6.560 -1.477 -2.305 1.00 0.00 O ATOM 410 CB VAL A 27 6.644 1.123 -4.391 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.206 1.087 -3.848 1.00 0.00 C ATOM 412 CG2 VAL A 27 7.015 2.604 -4.548 1.00 0.00 C ATOM 0 H VAL A 27 9.130 0.879 -4.738 1.00 0.00 H new ATOM 0 HA VAL A 27 7.450 0.845 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 27 6.740 0.625 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.545 1.619 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.877 0.052 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.175 1.565 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.323 3.081 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.956 3.099 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.031 2.686 -4.936 1.00 0.00 H new ATOM 422 N THR A 28 7.562 -1.972 -4.242 1.00 0.00 N ATOM 423 CA THR A 28 7.294 -3.407 -4.196 1.00 0.00 C ATOM 424 C THR A 28 7.851 -4.032 -2.908 1.00 0.00 C ATOM 425 O THR A 28 7.096 -4.701 -2.184 1.00 0.00 O ATOM 426 CB THR A 28 7.822 -4.061 -5.490 1.00 0.00 C ATOM 427 OG1 THR A 28 7.059 -3.559 -6.569 1.00 0.00 O ATOM 428 CG2 THR A 28 7.734 -5.592 -5.498 1.00 0.00 C ATOM 0 H THR A 28 8.063 -1.683 -5.082 1.00 0.00 H new ATOM 0 HA THR A 28 6.220 -3.591 -4.158 1.00 0.00 H new ATOM 0 HB THR A 28 8.881 -3.814 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.384 -2.667 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.125 -5.974 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.321 -5.995 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.694 -5.897 -5.386 1.00 0.00 H new ATOM 436 N GLN A 29 9.127 -3.810 -2.577 1.00 0.00 N ATOM 437 CA GLN A 29 9.723 -4.371 -1.369 1.00 0.00 C ATOM 438 C GLN A 29 9.120 -3.707 -0.126 1.00 0.00 C ATOM 439 O GLN A 29 8.637 -4.410 0.770 1.00 0.00 O ATOM 440 CB GLN A 29 11.263 -4.329 -1.396 1.00 0.00 C ATOM 441 CG GLN A 29 11.944 -2.987 -1.690 1.00 0.00 C ATOM 442 CD GLN A 29 13.418 -3.017 -1.297 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.734 -3.098 -0.113 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.332 -2.952 -2.249 1.00 0.00 N ATOM 0 H GLN A 29 9.766 -3.243 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 29 9.475 -5.432 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.623 -4.681 -0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.603 -5.046 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.853 -2.755 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.436 -2.192 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.047 -2.885 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.323 -2.969 -2.007 1.00 0.00 H new ATOM 453 N ALA A 30 9.061 -2.371 -0.080 1.00 0.00 N ATOM 454 CA ALA A 30 8.564 -1.645 1.078 1.00 0.00 C ATOM 455 C ALA A 30 7.118 -2.010 1.374 1.00 0.00 C ATOM 456 O ALA A 30 6.769 -2.031 2.544 1.00 0.00 O ATOM 457 CB ALA A 30 8.694 -0.126 0.912 1.00 0.00 C ATOM 0 H ALA A 30 9.358 -1.769 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 30 9.187 -1.943 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.310 0.372 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.743 0.136 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.122 0.195 0.041 1.00 0.00 H new ATOM 463 N ALA A 31 6.282 -2.309 0.374 1.00 0.00 N ATOM 464 CA ALA A 31 4.888 -2.708 0.534 1.00 0.00 C ATOM 465 C ALA A 31 4.745 -4.183 0.893 1.00 0.00 C ATOM 466 O ALA A 31 4.008 -4.517 1.814 1.00 0.00 O ATOM 467 CB ALA A 31 4.134 -2.465 -0.777 1.00 0.00 C ATOM 0 H ALA A 31 6.573 -2.277 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 31 4.476 -2.111 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.092 -2.763 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.182 -1.407 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.591 -3.052 -1.574 1.00 0.00 H new ATOM 473 N SER A 32 5.397 -5.106 0.185 1.00 0.00 N ATOM 474 CA SER A 32 5.299 -6.521 0.558 1.00 0.00 C ATOM 475 C SER A 32 5.743 -6.725 2.009 1.00 0.00 C ATOM 476 O SER A 32 5.154 -7.547 2.727 1.00 0.00 O ATOM 477 CB SER A 32 6.053 -7.395 -0.450 1.00 0.00 C ATOM 478 OG SER A 32 7.369 -6.938 -0.657 1.00 0.00 O ATOM 0 H SER A 32 5.983 -4.911 -0.627 1.00 0.00 H new ATOM 0 HA SER A 32 4.258 -6.841 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.078 -8.424 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.517 -7.401 -1.399 1.00 0.00 H new ATOM 0 HG SER A 32 7.357 -6.174 -1.271 1.00 0.00 H new ATOM 484 N GLN A 33 6.672 -5.886 2.469 1.00 0.00 N ATOM 485 CA GLN A 33 7.132 -5.828 3.836 1.00 0.00 C ATOM 486 C GLN A 33 6.359 -4.819 4.696 1.00 0.00 C ATOM 487 O GLN A 33 6.404 -4.973 5.914 1.00 0.00 O ATOM 488 CB GLN A 33 8.665 -5.760 3.894 1.00 0.00 C ATOM 489 CG GLN A 33 9.307 -6.989 3.203 1.00 0.00 C ATOM 490 CD GLN A 33 8.790 -8.325 3.759 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.846 -8.928 3.245 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.326 -8.779 4.880 1.00 0.00 N ATOM 0 H GLN A 33 7.136 -5.206 1.867 1.00 0.00 H new ATOM 0 HA GLN A 33 6.882 -6.767 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.010 -4.846 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.990 -5.713 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.105 -6.944 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.389 -6.944 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.107 -8.283 5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.958 -9.625 5.315 1.00 0.00 H new ATOM 501 N VAL A 34 5.622 -3.838 4.141 1.00 0.00 N ATOM 502 CA VAL A 34 4.782 -2.919 4.932 1.00 0.00 C ATOM 503 C VAL A 34 3.812 -3.825 5.684 1.00 0.00 C ATOM 504 O VAL A 34 3.619 -3.715 6.891 1.00 0.00 O ATOM 505 CB VAL A 34 3.964 -1.861 4.134 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.613 -2.211 3.477 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.714 -0.654 5.011 1.00 0.00 C ATOM 0 H VAL A 34 5.592 -3.661 3.137 1.00 0.00 H new ATOM 0 HA VAL A 34 5.444 -2.317 5.554 1.00 0.00 H new ATOM 0 HB VAL A 34 4.626 -1.722 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.214 -1.330 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.758 -3.010 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.910 -2.540 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.142 0.088 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.153 -0.957 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.667 -0.222 5.316 1.00 0.00 H new ATOM 517 N CYS A 35 3.276 -4.796 4.943 1.00 0.00 N ATOM 518 CA CYS A 35 2.303 -5.749 5.392 1.00 0.00 C ATOM 519 C CYS A 35 2.939 -6.679 6.393 1.00 0.00 C ATOM 520 O CYS A 35 2.348 -6.960 7.426 1.00 0.00 O ATOM 521 CB CYS A 35 1.891 -6.589 4.183 1.00 0.00 C ATOM 522 SG CYS A 35 1.162 -5.702 2.804 1.00 0.00 S ATOM 0 H CYS A 35 3.533 -4.932 3.965 1.00 0.00 H new ATOM 0 HA CYS A 35 1.453 -5.236 5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.771 -7.120 3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.179 -7.343 4.518 1.00 0.00 H new ATOM 527 N ASP A 36 4.095 -7.230 6.026 1.00 0.00 N ATOM 528 CA ASP A 36 4.830 -8.165 6.861 1.00 0.00 C ATOM 529 C ASP A 36 5.024 -7.558 8.271 1.00 0.00 C ATOM 530 O ASP A 36 4.717 -8.178 9.290 1.00 0.00 O ATOM 531 CB ASP A 36 6.131 -8.498 6.139 1.00 0.00 C ATOM 532 CG ASP A 36 6.687 -9.819 6.626 1.00 0.00 C ATOM 533 OD1 ASP A 36 7.335 -9.884 7.685 1.00 0.00 O ATOM 534 OD2 ASP A 36 6.332 -10.812 5.945 1.00 0.00 O ATOM 0 H ASP A 36 4.547 -7.035 5.133 1.00 0.00 H new ATOM 0 HA ASP A 36 4.290 -9.099 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.955 -8.545 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.860 -7.706 6.308 1.00 0.00 H new ATOM 539 N LYS A 37 5.424 -6.280 8.304 1.00 0.00 N ATOM 540 CA LYS A 37 5.752 -5.471 9.478 1.00 0.00 C ATOM 541 C LYS A 37 4.485 -5.076 10.250 1.00 0.00 C ATOM 542 O LYS A 37 4.513 -5.018 11.482 1.00 0.00 O ATOM 543 CB LYS A 37 6.535 -4.238 8.982 1.00 0.00 C ATOM 544 CG LYS A 37 7.256 -3.437 10.078 1.00 0.00 C ATOM 545 CD LYS A 37 7.817 -2.100 9.553 1.00 0.00 C ATOM 546 CE LYS A 37 8.833 -2.204 8.397 1.00 0.00 C ATOM 547 NZ LYS A 37 10.162 -2.719 8.812 1.00 0.00 N ATOM 0 H LYS A 37 5.534 -5.746 7.442 1.00 0.00 H new ATOM 0 HA LYS A 37 6.363 -6.039 10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.272 -4.566 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.844 -3.573 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.564 -3.241 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.071 -4.035 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.982 -1.482 9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.292 -1.577 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.426 -2.857 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.960 -1.219 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.791 -2.762 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.572 -2.085 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.055 -3.672 9.215 1.00 0.00 H new ATOM 561 N LEU A 38 3.385 -4.763 9.560 1.00 0.00 N ATOM 562 CA LEU A 38 2.126 -4.350 10.173 1.00 0.00 C ATOM 563 C LEU A 38 1.502 -5.600 10.794 1.00 0.00 C ATOM 564 O LEU A 38 0.777 -6.340 10.129 1.00 0.00 O ATOM 565 CB LEU A 38 1.161 -3.779 9.107 1.00 0.00 C ATOM 566 CG LEU A 38 1.394 -2.317 8.678 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.676 -2.060 7.348 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.849 -1.325 9.716 1.00 0.00 C ATOM 0 H LEU A 38 3.347 -4.791 8.541 1.00 0.00 H new ATOM 0 HA LEU A 38 2.306 -3.575 10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.223 -4.409 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.143 -3.864 9.488 1.00 0.00 H new ATOM 0 HG LEU A 38 2.470 -2.168 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.838 -1.027 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.071 -2.732 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.392 -2.239 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.033 -0.306 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.223 -1.479 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.350 -1.485 10.671 1.00 0.00 H new ATOM 580 N LYS A 39 1.711 -5.823 12.097 1.00 0.00 N ATOM 581 CA LYS A 39 1.222 -7.055 12.718 1.00 0.00 C ATOM 582 C LYS A 39 -0.282 -6.892 12.956 1.00 0.00 C ATOM 583 O LYS A 39 -0.801 -5.776 12.922 1.00 0.00 O ATOM 584 CB LYS A 39 2.015 -7.418 13.990 1.00 0.00 C ATOM 585 CG LYS A 39 2.037 -6.367 15.118 1.00 0.00 C ATOM 586 CD LYS A 39 2.650 -6.978 16.393 1.00 0.00 C ATOM 587 CE LYS A 39 2.750 -5.995 17.573 1.00 0.00 C ATOM 588 NZ LYS A 39 3.934 -5.103 17.498 1.00 0.00 N ATOM 0 H LYS A 39 2.201 -5.186 12.725 1.00 0.00 H new ATOM 0 HA LYS A 39 1.382 -7.905 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.603 -8.343 14.395 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.045 -7.627 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.616 -5.498 14.806 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.025 -6.018 15.322 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.050 -7.835 16.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.647 -7.353 16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.847 -5.386 17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.788 -6.560 18.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.942 -4.467 18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.801 -5.677 17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.889 -4.539 16.625 1.00 0.00 H new ATOM 602 N ILE A 40 -0.980 -8.011 13.180 1.00 0.00 N ATOM 603 CA ILE A 40 -2.440 -8.131 13.293 1.00 0.00 C ATOM 604 C ILE A 40 -2.991 -8.020 11.868 1.00 0.00 C ATOM 605 O ILE A 40 -3.439 -9.011 11.300 1.00 0.00 O ATOM 606 CB ILE A 40 -3.104 -7.151 14.304 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.507 -7.255 15.726 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.634 -7.334 14.335 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.571 -8.649 16.367 1.00 0.00 C ATOM 0 H ILE A 40 -0.514 -8.911 13.294 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.695 -9.095 13.733 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.882 -6.146 13.946 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.465 -6.939 15.688 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.030 -6.552 16.374 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.070 -6.636 15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.044 -7.141 13.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.872 -8.355 14.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.126 -8.613 17.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.611 -8.966 16.446 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.021 -9.359 15.749 1.00 0.00 H new ATOM 621 N LEU A 41 -2.832 -6.865 11.219 1.00 0.00 N ATOM 622 CA LEU A 41 -3.413 -6.576 9.908 1.00 0.00 C ATOM 623 C LEU A 41 -2.540 -7.127 8.757 1.00 0.00 C ATOM 624 O LEU A 41 -2.792 -6.860 7.579 1.00 0.00 O ATOM 625 CB LEU A 41 -3.631 -5.053 9.832 1.00 0.00 C ATOM 626 CG LEU A 41 -4.662 -4.591 8.786 1.00 0.00 C ATOM 627 CD1 LEU A 41 -6.070 -5.139 9.059 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.712 -3.058 8.787 1.00 0.00 C ATOM 0 H LEU A 41 -2.286 -6.091 11.597 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.370 -7.083 9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.948 -4.698 10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.676 -4.576 9.613 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.346 -4.978 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.755 -4.781 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.046 -6.229 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.410 -4.797 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.439 -2.717 8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.004 -2.704 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.728 -2.662 8.536 1.00 0.00 H new ATOM 640 N ARG A 42 -1.568 -7.983 9.094 1.00 0.00 N ATOM 641 CA ARG A 42 -0.544 -8.546 8.217 1.00 0.00 C ATOM 642 C ARG A 42 -1.211 -9.297 7.078 1.00 0.00 C ATOM 643 O ARG A 42 -0.917 -9.026 5.916 1.00 0.00 O ATOM 644 CB ARG A 42 0.361 -9.464 9.074 1.00 0.00 C ATOM 645 CG ARG A 42 1.456 -10.242 8.321 1.00 0.00 C ATOM 646 CD ARG A 42 2.305 -11.052 9.322 1.00 0.00 C ATOM 647 NE ARG A 42 3.238 -11.984 8.655 1.00 0.00 N ATOM 648 CZ ARG A 42 4.567 -11.839 8.518 1.00 0.00 C ATOM 649 NH1 ARG A 42 5.217 -10.831 9.078 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.256 -12.699 7.779 1.00 0.00 N ATOM 0 H ARG A 42 -1.473 -8.321 10.052 1.00 0.00 H new ATOM 0 HA ARG A 42 0.072 -7.767 7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.841 -8.853 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.274 -10.183 9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.002 -10.911 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.091 -9.550 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.872 -10.365 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.644 -11.615 9.980 1.00 0.00 H new ATOM 0 HE ARG A 42 2.829 -12.829 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.709 -10.140 9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.226 -10.745 8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.777 -13.471 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.265 -12.589 7.675 1.00 0.00 H new ATOM 664 N GLY A 43 -2.122 -10.219 7.396 1.00 0.00 N ATOM 665 CA GLY A 43 -2.787 -11.042 6.397 1.00 0.00 C ATOM 666 C GLY A 43 -3.584 -10.208 5.395 1.00 0.00 C ATOM 667 O GLY A 43 -3.565 -10.514 4.203 1.00 0.00 O ATOM 0 H GLY A 43 -2.416 -10.412 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.043 -11.634 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.456 -11.744 6.895 1.00 0.00 H new ATOM 671 N LEU A 44 -4.270 -9.157 5.862 1.00 0.00 N ATOM 672 CA LEU A 44 -5.146 -8.340 5.030 1.00 0.00 C ATOM 673 C LEU A 44 -4.275 -7.632 3.995 1.00 0.00 C ATOM 674 O LEU A 44 -4.479 -7.798 2.794 1.00 0.00 O ATOM 675 CB LEU A 44 -5.964 -7.391 5.935 1.00 0.00 C ATOM 676 CG LEU A 44 -7.241 -6.765 5.340 1.00 0.00 C ATOM 677 CD1 LEU A 44 -6.961 -5.761 4.224 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.234 -7.822 4.845 1.00 0.00 C ATOM 0 H LEU A 44 -4.229 -8.852 6.835 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.880 -8.932 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.246 -7.942 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.308 -6.580 6.252 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.693 -6.221 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.903 -5.360 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.348 -4.947 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.432 -6.258 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.116 -7.329 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.764 -8.428 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.529 -8.462 5.677 1.00 0.00 H new ATOM 690 N CYS A 45 -3.253 -6.911 4.461 1.00 0.00 N ATOM 691 CA CYS A 45 -2.252 -6.275 3.639 1.00 0.00 C ATOM 692 C CYS A 45 -1.590 -7.258 2.665 1.00 0.00 C ATOM 693 O CYS A 45 -1.639 -7.008 1.463 1.00 0.00 O ATOM 694 CB CYS A 45 -1.265 -5.597 4.583 1.00 0.00 C ATOM 695 SG CYS A 45 -0.103 -4.482 3.783 1.00 0.00 S ATOM 0 H CYS A 45 -3.105 -6.756 5.458 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.705 -5.527 2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.826 -5.039 5.333 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.703 -6.366 5.113 1.00 0.00 H new ATOM 700 N LYS A 46 -0.982 -8.367 3.127 1.00 0.00 N ATOM 701 CA LYS A 46 -0.290 -9.295 2.213 1.00 0.00 C ATOM 702 C LYS A 46 -1.268 -9.760 1.119 1.00 0.00 C ATOM 703 O LYS A 46 -0.854 -9.865 -0.035 1.00 0.00 O ATOM 704 CB LYS A 46 0.386 -10.505 2.912 1.00 0.00 C ATOM 705 CG LYS A 46 1.516 -10.256 3.945 1.00 0.00 C ATOM 706 CD LYS A 46 2.908 -9.759 3.486 1.00 0.00 C ATOM 707 CE LYS A 46 3.943 -10.833 3.079 1.00 0.00 C ATOM 708 NZ LYS A 46 5.353 -10.403 3.316 1.00 0.00 N ATOM 0 H LYS A 46 -0.955 -8.639 4.110 1.00 0.00 H new ATOM 0 HA LYS A 46 0.535 -8.737 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.398 -11.071 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.793 -11.148 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.138 -9.531 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.670 -11.191 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.765 -9.089 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.337 -9.165 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.749 -11.748 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.814 -11.072 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.988 -10.934 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.443 -9.386 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.611 -10.589 4.306 1.00 0.00 H new ATOM 722 N LYS A 47 -2.549 -10.017 1.435 1.00 0.00 N ATOM 723 CA LYS A 47 -3.544 -10.372 0.419 1.00 0.00 C ATOM 724 C LYS A 47 -3.774 -9.225 -0.570 1.00 0.00 C ATOM 725 O LYS A 47 -3.773 -9.501 -1.769 1.00 0.00 O ATOM 726 CB LYS A 47 -4.858 -10.863 1.058 1.00 0.00 C ATOM 727 CG LYS A 47 -5.806 -11.446 -0.010 1.00 0.00 C ATOM 728 CD LYS A 47 -7.051 -12.126 0.584 1.00 0.00 C ATOM 729 CE LYS A 47 -7.920 -12.691 -0.556 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.121 -13.417 -0.074 1.00 0.00 N ATOM 0 H LYS A 47 -2.915 -9.984 2.386 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.142 -11.207 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.640 -11.622 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.348 -10.036 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.123 -10.646 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.259 -12.170 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.753 -12.927 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.624 -11.409 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.234 -11.873 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.316 -13.365 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.662 -13.772 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.827 -14.217 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.717 -12.771 0.483 1.00 0.00 H new ATOM 744 N ILE A 48 -3.979 -7.980 -0.113 1.00 0.00 N ATOM 745 CA ILE A 48 -4.150 -6.823 -1.002 1.00 0.00 C ATOM 746 C ILE A 48 -2.951 -6.760 -1.944 1.00 0.00 C ATOM 747 O ILE A 48 -3.139 -6.748 -3.156 1.00 0.00 O ATOM 748 CB ILE A 48 -4.367 -5.498 -0.217 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.778 -5.495 0.413 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.208 -4.252 -1.120 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.071 -4.282 1.310 1.00 0.00 C ATOM 0 H ILE A 48 -4.031 -7.749 0.879 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.059 -6.949 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.603 -5.447 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.519 -5.528 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.902 -6.404 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.368 -3.351 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.203 -4.235 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.940 -4.291 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.082 -4.361 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.356 -4.257 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.983 -3.367 0.725 1.00 0.00 H new ATOM 763 N MET A 49 -1.732 -6.766 -1.409 1.00 0.00 N ATOM 764 CA MET A 49 -0.512 -6.683 -2.195 1.00 0.00 C ATOM 765 C MET A 49 -0.433 -7.842 -3.186 1.00 0.00 C ATOM 766 O MET A 49 -0.156 -7.589 -4.348 1.00 0.00 O ATOM 767 CB MET A 49 0.699 -6.594 -1.254 1.00 0.00 C ATOM 768 CG MET A 49 0.918 -5.162 -0.739 1.00 0.00 C ATOM 769 SD MET A 49 -0.505 -4.277 -0.028 1.00 0.00 S ATOM 770 CE MET A 49 0.304 -2.727 0.426 1.00 0.00 C ATOM 0 H MET A 49 -1.566 -6.830 -0.405 1.00 0.00 H new ATOM 0 HA MET A 49 -0.513 -5.775 -2.799 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.552 -7.266 -0.408 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.593 -6.932 -1.779 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.701 -5.197 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.301 -4.565 -1.567 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.451 -1.963 0.612 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.898 -2.877 1.328 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.954 -2.404 -0.387 1.00 0.00 H new ATOM 780 N ARG A 50 -0.745 -9.091 -2.818 1.00 0.00 N ATOM 781 CA ARG A 50 -0.749 -10.178 -3.806 1.00 0.00 C ATOM 782 C ARG A 50 -1.740 -9.905 -4.934 1.00 0.00 C ATOM 783 O ARG A 50 -1.442 -10.213 -6.087 1.00 0.00 O ATOM 784 CB ARG A 50 -1.053 -11.528 -3.131 1.00 0.00 C ATOM 785 CG ARG A 50 -0.662 -12.741 -4.003 1.00 0.00 C ATOM 786 CD ARG A 50 -1.764 -13.229 -4.965 1.00 0.00 C ATOM 787 NE ARG A 50 -1.230 -14.129 -6.007 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.774 -13.778 -7.222 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.724 -12.501 -7.605 1.00 0.00 N ATOM 790 NH2 ARG A 50 -0.360 -14.724 -8.063 1.00 0.00 N ATOM 0 H ARG A 50 -0.992 -9.370 -1.869 1.00 0.00 H new ATOM 0 HA ARG A 50 0.247 -10.228 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.518 -11.582 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.117 -11.581 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.221 -12.481 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.380 -13.565 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.536 -13.749 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.240 -12.369 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.204 -15.123 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.036 -11.766 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.374 -12.260 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.391 -15.704 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.012 -14.468 -8.987 1.00 0.00 H new ATOM 804 N SER A 51 -2.928 -9.417 -4.592 1.00 0.00 N ATOM 805 CA SER A 51 -4.030 -9.221 -5.523 1.00 0.00 C ATOM 806 C SER A 51 -3.896 -7.954 -6.381 1.00 0.00 C ATOM 807 O SER A 51 -4.465 -7.916 -7.468 1.00 0.00 O ATOM 808 CB SER A 51 -5.324 -9.177 -4.697 1.00 0.00 C ATOM 809 OG SER A 51 -6.465 -9.457 -5.479 1.00 0.00 O ATOM 0 H SER A 51 -3.155 -9.141 -3.637 1.00 0.00 H new ATOM 0 HA SER A 51 -4.032 -10.047 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.258 -9.898 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.430 -8.192 -4.243 1.00 0.00 H new ATOM 0 HG SER A 51 -7.265 -9.420 -4.915 1.00 0.00 H new ATOM 815 N PHE A 52 -3.155 -6.936 -5.940 1.00 0.00 N ATOM 816 CA PHE A 52 -3.067 -5.635 -6.600 1.00 0.00 C ATOM 817 C PHE A 52 -1.651 -5.060 -6.480 1.00 0.00 C ATOM 818 O PHE A 52 -1.510 -3.841 -6.420 1.00 0.00 O ATOM 819 CB PHE A 52 -4.067 -4.679 -5.906 1.00 0.00 C ATOM 820 CG PHE A 52 -5.525 -5.094 -5.860 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.342 -4.936 -6.995 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.089 -5.553 -4.653 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.716 -5.225 -6.919 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.461 -5.848 -4.580 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.277 -5.677 -5.712 1.00 0.00 C ATOM 0 H PHE A 52 -2.587 -6.996 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.302 -5.746 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.729 -4.527 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.009 -3.713 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.913 -4.593 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.465 -5.679 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.342 -5.099 -7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.888 -6.206 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.334 -5.893 -5.654 1.00 0.00 H new ATOM 835 N LEU A 53 -0.586 -5.859 -6.604 1.00 0.00 N ATOM 836 CA LEU A 53 0.773 -5.379 -6.341 1.00 0.00 C ATOM 837 C LEU A 53 1.155 -4.190 -7.220 1.00 0.00 C ATOM 838 O LEU A 53 1.359 -3.091 -6.701 1.00 0.00 O ATOM 839 CB LEU A 53 1.793 -6.529 -6.537 1.00 0.00 C ATOM 840 CG LEU A 53 3.155 -6.349 -5.822 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.769 -4.950 -5.904 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.030 -6.709 -4.337 1.00 0.00 C ATOM 0 H LEU A 53 -0.639 -6.838 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 53 0.796 -5.037 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.339 -7.456 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.977 -6.648 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 53 3.822 -7.021 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.719 -4.938 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.936 -4.687 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.090 -4.227 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.995 -6.577 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.293 -6.059 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.713 -7.747 -4.240 1.00 0.00 H new ATOM 854 N ARG A 54 1.185 -4.353 -8.546 1.00 0.00 N ATOM 855 CA ARG A 54 1.690 -3.266 -9.383 1.00 0.00 C ATOM 856 C ARG A 54 0.702 -2.083 -9.358 1.00 0.00 C ATOM 857 O ARG A 54 1.087 -0.966 -9.713 1.00 0.00 O ATOM 858 CB ARG A 54 2.070 -3.824 -10.770 1.00 0.00 C ATOM 859 CG ARG A 54 3.084 -2.948 -11.532 1.00 0.00 C ATOM 860 CD ARG A 54 2.585 -1.819 -12.433 1.00 0.00 C ATOM 861 NE ARG A 54 3.666 -0.833 -12.610 1.00 0.00 N ATOM 862 CZ ARG A 54 3.771 0.372 -12.042 1.00 0.00 C ATOM 863 NH1 ARG A 54 2.808 0.824 -11.249 1.00 0.00 N ATOM 864 NH2 ARG A 54 4.842 1.118 -12.268 1.00 0.00 N ATOM 0 H ARG A 54 0.880 -5.189 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 54 2.616 -2.843 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.486 -4.824 -10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.167 -3.926 -11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.750 -2.504 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.690 -3.613 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.277 -2.217 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.710 -1.343 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 54 4.422 -1.102 -13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.983 0.251 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.893 1.744 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.585 0.772 -12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.923 2.038 -11.835 1.00 0.00 H new ATOM 878 N ARG A 55 -0.566 -2.278 -8.936 1.00 0.00 N ATOM 879 CA ARG A 55 -1.492 -1.178 -8.753 1.00 0.00 C ATOM 880 C ARG A 55 -0.988 -0.410 -7.518 1.00 0.00 C ATOM 881 O ARG A 55 -0.762 0.788 -7.626 1.00 0.00 O ATOM 882 CB ARG A 55 -2.957 -1.630 -8.549 1.00 0.00 C ATOM 883 CG ARG A 55 -3.836 -2.006 -9.766 1.00 0.00 C ATOM 884 CD ARG A 55 -4.221 -0.916 -10.795 1.00 0.00 C ATOM 885 NE ARG A 55 -5.494 -0.197 -10.512 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.122 0.657 -11.351 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.707 0.773 -12.613 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.159 1.400 -10.963 1.00 0.00 N ATOM 0 H ARG A 55 -0.957 -3.195 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.513 -0.563 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.938 -2.495 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.470 -0.830 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.321 -2.799 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.762 -2.433 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.414 -0.186 -10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.295 -1.378 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.931 -0.364 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.917 0.218 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.179 1.417 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.503 1.335 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.608 2.034 -11.624 1.00 0.00 H new ATOM 902 N ILE A 56 -0.766 -1.052 -6.364 1.00 0.00 N ATOM 903 CA ILE A 56 -0.304 -0.324 -5.175 1.00 0.00 C ATOM 904 C ILE A 56 1.020 0.399 -5.474 1.00 0.00 C ATOM 905 O ILE A 56 1.235 1.487 -4.943 1.00 0.00 O ATOM 906 CB ILE A 56 -0.255 -1.196 -3.900 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.565 -1.972 -3.629 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.032 -0.306 -2.674 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.863 -1.206 -3.919 1.00 0.00 C ATOM 0 H ILE A 56 -0.896 -2.055 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.050 0.437 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 56 0.536 -1.927 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.559 -2.881 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.573 -2.282 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.066 -0.923 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.990 0.196 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.757 0.439 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.719 -1.843 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.904 -0.311 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.889 -0.920 -4.970 1.00 0.00 H new ATOM 921 N SER A 57 1.815 -0.096 -6.428 1.00 0.00 N ATOM 922 CA SER A 57 3.015 0.601 -6.846 1.00 0.00 C ATOM 923 C SER A 57 2.606 1.892 -7.565 1.00 0.00 C ATOM 924 O SER A 57 2.955 2.964 -7.088 1.00 0.00 O ATOM 925 CB SER A 57 3.880 -0.319 -7.714 1.00 0.00 C ATOM 926 OG SER A 57 5.047 0.352 -8.108 1.00 0.00 O ATOM 0 H SER A 57 1.642 -0.974 -6.918 1.00 0.00 H new ATOM 0 HA SER A 57 3.625 0.877 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.139 -1.220 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.319 -0.637 -8.593 1.00 0.00 H new ATOM 0 HG SER A 57 5.217 0.182 -9.058 1.00 0.00 H new ATOM 932 N TRP A 58 1.793 1.844 -8.632 1.00 0.00 N ATOM 933 CA TRP A 58 1.282 3.041 -9.322 1.00 0.00 C ATOM 934 C TRP A 58 0.699 4.045 -8.329 1.00 0.00 C ATOM 935 O TRP A 58 0.989 5.234 -8.421 1.00 0.00 O ATOM 936 CB TRP A 58 0.283 2.682 -10.443 1.00 0.00 C ATOM 937 CG TRP A 58 -0.959 3.524 -10.541 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.053 4.787 -11.017 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.293 3.200 -10.062 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.355 5.241 -10.889 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.167 4.297 -10.295 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.841 2.079 -9.423 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.522 4.249 -9.919 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.158 2.038 -8.984 1.00 0.00 C ATOM 945 CH2 TRP A 58 -4.998 3.116 -9.230 1.00 0.00 C ATOM 0 H TRP A 58 1.469 0.969 -9.043 1.00 0.00 H new ATOM 0 HA TRP A 58 2.129 3.523 -9.810 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.808 2.739 -11.397 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.020 1.644 -10.308 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.235 5.356 -11.434 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.674 6.160 -11.196 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.215 1.213 -9.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.186 5.067 -10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.527 1.172 -8.454 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.023 3.086 -8.891 1.00 0.00 H new ATOM 956 N ASP A 59 -0.154 3.578 -7.422 1.00 0.00 N ATOM 957 CA ASP A 59 -0.810 4.397 -6.418 1.00 0.00 C ATOM 958 C ASP A 59 0.192 5.256 -5.647 1.00 0.00 C ATOM 959 O ASP A 59 0.044 6.476 -5.599 1.00 0.00 O ATOM 960 CB ASP A 59 -1.604 3.504 -5.458 1.00 0.00 C ATOM 961 CG ASP A 59 -2.920 3.028 -6.053 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.724 3.863 -6.521 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.297 1.727 -6.034 1.00 0.00 O ATOM 0 H ASP A 59 -0.412 2.593 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.494 5.075 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.998 2.639 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.803 4.054 -4.538 1.00 0.00 H new ATOM 969 N ILE A 60 1.164 4.618 -4.996 1.00 0.00 N ATOM 970 CA ILE A 60 2.252 5.282 -4.289 1.00 0.00 C ATOM 971 C ILE A 60 3.118 6.132 -5.234 1.00 0.00 C ATOM 972 O ILE A 60 3.438 7.262 -4.882 1.00 0.00 O ATOM 973 CB ILE A 60 3.006 4.240 -3.432 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.312 3.938 -2.080 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.446 4.640 -3.105 1.00 0.00 C ATOM 976 CD1 ILE A 60 0.837 3.529 -2.125 1.00 0.00 C ATOM 0 H ILE A 60 1.215 3.601 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 60 1.862 6.022 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 60 2.999 3.355 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.868 3.142 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.398 4.824 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.912 3.861 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.008 4.766 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.446 5.578 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.479 3.348 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.252 4.328 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.730 2.619 -2.716 1.00 0.00 H new ATOM 988 N LEU A 61 3.482 5.635 -6.423 1.00 0.00 N ATOM 989 CA LEU A 61 4.324 6.357 -7.389 1.00 0.00 C ATOM 990 C LEU A 61 3.662 7.670 -7.824 1.00 0.00 C ATOM 991 O LEU A 61 4.349 8.659 -8.044 1.00 0.00 O ATOM 992 CB LEU A 61 4.603 5.502 -8.643 1.00 0.00 C ATOM 993 CG LEU A 61 5.523 4.276 -8.451 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.389 3.340 -9.662 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.999 4.635 -8.302 1.00 0.00 C ATOM 0 H LEU A 61 3.198 4.710 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 61 5.267 6.573 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.649 5.154 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.046 6.146 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 61 5.200 3.799 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.038 2.475 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.355 3.007 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.679 3.873 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.584 3.724 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.338 5.158 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.131 5.279 -7.433 1.00 0.00 H new ATOM 1007 N THR A 62 2.332 7.696 -7.946 1.00 0.00 N ATOM 1008 CA THR A 62 1.561 8.899 -8.263 1.00 0.00 C ATOM 1009 C THR A 62 1.234 9.722 -7.004 1.00 0.00 C ATOM 1010 O THR A 62 0.440 10.659 -7.076 1.00 0.00 O ATOM 1011 CB THR A 62 0.305 8.532 -9.088 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.472 7.486 -8.521 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.693 8.092 -10.504 1.00 0.00 C ATOM 0 H THR A 62 1.751 6.866 -7.825 1.00 0.00 H new ATOM 0 HA THR A 62 2.178 9.549 -8.884 1.00 0.00 H new ATOM 0 HB THR A 62 -0.295 9.442 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.085 6.620 -8.768 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.206 7.839 -11.066 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.218 8.904 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.344 7.219 -10.448 1.00 0.00 H new ATOM 1021 N GLY A 63 1.812 9.365 -5.850 1.00 0.00 N ATOM 1022 CA GLY A 63 1.559 9.920 -4.528 1.00 0.00 C ATOM 1023 C GLY A 63 0.076 10.183 -4.303 1.00 0.00 C ATOM 1024 O GLY A 63 -0.293 11.201 -3.706 1.00 0.00 O ATOM 0 H GLY A 63 2.517 8.629 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.926 9.231 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.116 10.850 -4.411 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.782 9.205 -4.606 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.218 9.422 -4.555 1.00 0.00 C ATOM 1030 C LYS A 64 -2.633 9.114 -3.127 1.00 0.00 C ATOM 1031 O LYS A 64 -2.055 8.269 -2.450 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.857 8.516 -5.626 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.373 8.701 -5.827 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.804 8.422 -7.282 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.421 7.027 -7.807 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.367 5.966 -7.401 1.00 0.00 N ATOM 0 H LYS A 64 -0.504 8.265 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.543 10.437 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.356 8.697 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.667 7.476 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.912 8.032 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.653 9.719 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.885 8.539 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.357 9.175 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.368 7.059 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.424 6.772 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.849 5.205 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.079 6.364 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.840 5.582 -8.244 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.594 9.877 -2.615 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.970 9.756 -1.208 1.00 0.00 C ATOM 1052 C LYS A 65 -4.719 8.447 -0.941 1.00 0.00 C ATOM 1053 O LYS A 65 -5.396 7.942 -1.833 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.703 11.040 -0.768 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.810 12.254 -0.392 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.406 12.420 -1.022 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.326 11.660 -0.227 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.019 11.571 -0.909 1.00 0.00 N ATOM 0 H LYS A 65 -4.120 10.575 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.084 9.680 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.371 11.345 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.329 10.798 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.377 13.155 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.677 12.233 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.424 12.056 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.149 13.479 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.187 12.151 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.685 10.651 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.491 10.730 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.167 11.499 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.541 12.422 -0.699 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.748 7.965 0.313 1.00 0.00 N ATOM 1073 CA PRO A 66 -5.306 6.672 0.690 1.00 0.00 C ATOM 1074 C PRO A 66 -6.798 6.570 0.417 1.00 0.00 C ATOM 1075 O PRO A 66 -7.219 5.587 -0.180 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.995 6.486 2.178 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.744 7.910 2.662 1.00 0.00 C ATOM 1078 CD PRO A 66 -4.059 8.528 1.452 1.00 0.00 C ATOM 0 HA PRO A 66 -4.859 5.882 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.826 6.021 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.124 5.849 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.670 8.426 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.111 7.936 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.138 9.615 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.997 8.286 1.432 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.592 7.558 0.847 1.00 0.00 N ATOM 1087 CA GLN A 67 -9.030 7.579 0.590 1.00 0.00 C ATOM 1088 C GLN A 67 -9.288 7.388 -0.905 1.00 0.00 C ATOM 1089 O GLN A 67 -10.135 6.575 -1.269 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.635 8.873 1.171 1.00 0.00 C ATOM 1091 CG GLN A 67 -11.093 9.168 0.757 1.00 0.00 C ATOM 1092 CD GLN A 67 -11.224 9.788 -0.640 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -10.278 10.358 -1.169 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -12.380 9.679 -1.275 1.00 0.00 N ATOM 0 H GLN A 67 -7.254 8.360 1.380 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.531 6.751 1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.588 8.819 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.012 9.714 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.665 8.241 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.539 9.843 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.164 9.203 -0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.487 10.071 -2.211 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.481 8.024 -1.758 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.709 7.978 -3.186 1.00 0.00 C ATOM 1105 C ALA A 68 -8.211 6.640 -3.721 1.00 0.00 C ATOM 1106 O ALA A 68 -8.874 6.069 -4.574 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.984 9.142 -3.871 1.00 0.00 C ATOM 0 H ALA A 68 -7.669 8.573 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.774 8.074 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.161 9.099 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.360 10.087 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.914 9.069 -3.677 1.00 0.00 H new ATOM 1113 N ILE A 69 -7.098 6.094 -3.217 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.622 4.776 -3.637 1.00 0.00 C ATOM 1115 C ILE A 69 -7.660 3.691 -3.323 1.00 0.00 C ATOM 1116 O ILE A 69 -8.004 2.897 -4.194 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.253 4.461 -2.983 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.147 5.414 -3.478 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.866 3.001 -3.295 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.909 5.407 -2.574 1.00 0.00 C ATOM 0 H ILE A 69 -6.511 6.547 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.482 4.787 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.350 4.603 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.855 5.130 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.545 6.427 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.903 2.774 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.626 2.330 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.795 2.866 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.164 6.096 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.191 5.718 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.490 4.401 -2.538 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.103 3.605 -2.072 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.057 2.614 -1.598 1.00 0.00 C ATOM 1134 C CYS A 70 -10.390 2.733 -2.330 1.00 0.00 C ATOM 1135 O CYS A 70 -11.055 1.710 -2.486 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.203 2.737 -0.077 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.622 2.686 0.821 1.00 0.00 S ATOM 0 H CYS A 70 -7.797 4.245 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.684 1.614 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.711 3.673 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.841 1.930 0.284 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.871 3.941 -2.639 1.00 0.00 N ATOM 1143 CA VAL A 71 -12.071 4.070 -3.460 1.00 0.00 C ATOM 1144 C VAL A 71 -11.736 3.563 -4.871 1.00 0.00 C ATOM 1145 O VAL A 71 -12.386 2.626 -5.304 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.593 5.524 -3.415 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.671 5.816 -4.468 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.202 5.813 -2.030 1.00 0.00 C ATOM 0 H VAL A 71 -10.457 4.824 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.890 3.461 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.733 6.161 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.993 6.854 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.262 5.645 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.524 5.157 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.569 6.839 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.028 5.126 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.440 5.679 -1.262 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.658 4.041 -5.505 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.273 3.752 -6.896 1.00 0.00 C ATOM 1160 C ASP A 72 -10.234 2.257 -7.198 1.00 0.00 C ATOM 1161 O ASP A 72 -10.927 1.776 -8.093 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.907 4.412 -7.149 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.232 4.158 -8.496 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.263 3.027 -9.033 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.450 5.066 -8.869 1.00 0.00 O ATOM 0 H ASP A 72 -9.999 4.668 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.026 4.161 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.029 5.489 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.225 4.082 -6.365 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.424 1.504 -6.449 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.255 0.075 -6.714 1.00 0.00 C ATOM 1172 C ILE A 73 -10.398 -0.758 -6.094 1.00 0.00 C ATOM 1173 O ILE A 73 -10.375 -1.985 -6.167 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.838 -0.379 -6.330 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.696 -0.384 -4.795 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.772 0.440 -7.088 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.262 -0.337 -4.289 1.00 0.00 C ATOM 0 H ILE A 73 -8.880 1.857 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.340 -0.107 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.664 -1.407 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.238 0.471 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.176 -1.280 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.778 0.099 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.904 0.304 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.880 1.496 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.260 -0.344 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.717 -1.206 -4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.780 0.573 -4.647 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.374 -0.089 -5.471 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.624 -0.565 -4.916 1.00 0.00 C ATOM 1191 C LYS A 74 -12.424 -1.497 -3.729 1.00 0.00 C ATOM 1192 O LYS A 74 -12.658 -2.703 -3.765 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.522 -1.068 -6.053 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.959 -1.195 -5.548 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.888 -1.869 -6.572 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.808 -0.924 -7.360 1.00 0.00 C ATOM 1197 NZ LYS A 74 -16.092 0.036 -8.226 1.00 0.00 N ATOM 0 H LYS A 74 -11.285 0.918 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.173 0.255 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.481 -0.378 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.165 -2.033 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.965 -1.771 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.345 -0.204 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.274 -2.424 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.508 -2.597 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.481 -1.520 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.428 -0.369 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.781 0.636 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.470 0.632 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.521 -0.484 -8.922 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.037 -0.878 -2.620 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.780 -1.491 -1.324 1.00 0.00 C ATOM 1213 C ILE A 75 -12.506 -0.717 -0.211 1.00 0.00 C ATOM 1214 O ILE A 75 -12.791 -1.294 0.838 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.242 -1.525 -1.115 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.584 -2.510 -2.108 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.817 -1.886 0.318 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.061 -2.552 -1.969 1.00 0.00 C ATOM 0 H ILE A 75 -11.885 0.130 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.166 -2.510 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.897 -0.508 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.988 -3.509 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.845 -2.223 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.729 -1.889 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.221 -1.150 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.199 -2.874 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.649 -3.259 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.651 -1.560 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.796 -2.867 -0.960 1.00 0.00 H new