USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 609 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 13 SER OG : rot -132:sc= 0.475 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.848 K(o=-0.37,f=-4.3) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.0285 USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= 0.0734 USER MOD Set 3.1: A 1 GLY N :NH3+ -165:sc= -0.631 (180deg=0) USER MOD Set 3.2: A 59 LYS NZ :NH3+ 162:sc= -0.423 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0.034 K(o=0.034,f=-4.9!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.12) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.622 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -144:sc= 1.73 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 45 GLN : amide:sc= -0.0571 K(o=-0.057,f=-0.96) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.879 K(o=-0.88,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.0331 K(o=0.033,f=-0.79) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= -0.521 (180deg=-2.88!) USER MOD Single : A 66 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.37) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.953 0.810 0.864 1.00 0.00 N ATOM 2 CA GLY A 1 2.310 0.676 -0.536 1.00 0.00 C ATOM 3 C GLY A 1 3.067 1.881 -1.059 1.00 0.00 C ATOM 4 O GLY A 1 3.260 2.873 -0.356 1.00 0.00 O ATOM 0 H1 GLY A 1 1.672 -0.118 1.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.771 1.167 1.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.160 1.477 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.920 -0.218 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.405 0.535 -1.127 1.00 0.00 H new ATOM 8 N PRO A 2 3.510 1.804 -2.323 1.00 0.00 N ATOM 9 CA PRO A 2 4.257 2.888 -2.967 1.00 0.00 C ATOM 10 C PRO A 2 3.386 4.108 -3.244 1.00 0.00 C ATOM 11 O PRO A 2 3.885 5.162 -3.639 1.00 0.00 O ATOM 12 CB PRO A 2 4.731 2.260 -4.281 1.00 0.00 C ATOM 13 CG PRO A 2 3.745 1.179 -4.561 1.00 0.00 C ATOM 14 CD PRO A 2 3.315 0.652 -3.220 1.00 0.00 C ATOM 0 HA PRO A 2 5.067 3.255 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.752 2.995 -5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.741 1.860 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.892 1.564 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.192 0.390 -5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.276 0.323 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.917 -0.203 -2.912 1.00 0.00 H new ATOM 22 N ARG A 3 2.082 3.958 -3.035 1.00 0.00 N ATOM 23 CA ARG A 3 1.142 5.049 -3.263 1.00 0.00 C ATOM 24 C ARG A 3 0.504 5.500 -1.952 1.00 0.00 C ATOM 25 O ARG A 3 -0.144 4.714 -1.261 1.00 0.00 O ATOM 26 CB ARG A 3 0.054 4.615 -4.248 1.00 0.00 C ATOM 27 CG ARG A 3 -0.504 3.230 -3.968 1.00 0.00 C ATOM 28 CD ARG A 3 -1.966 3.126 -4.373 1.00 0.00 C ATOM 29 NE ARG A 3 -2.551 1.844 -3.989 1.00 0.00 N ATOM 30 CZ ARG A 3 -3.661 1.352 -4.527 1.00 0.00 C ATOM 31 NH1 ARG A 3 -4.304 2.031 -5.467 1.00 0.00 N ATOM 32 NH2 ARG A 3 -4.131 0.178 -4.125 1.00 0.00 N ATOM 0 H ARG A 3 1.653 3.092 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 3 1.694 5.888 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.761 5.338 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.462 4.636 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.079 2.485 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.402 3.003 -2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.529 3.935 -3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.053 3.256 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.081 1.296 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.946 2.934 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.156 1.650 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.640 -0.348 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.984 -0.199 -4.539 1.00 0.00 H new ATOM 46 N LYS A 4 0.694 6.771 -1.614 1.00 0.00 N ATOM 47 CA LYS A 4 0.138 7.329 -0.387 1.00 0.00 C ATOM 48 C LYS A 4 -1.275 7.853 -0.619 1.00 0.00 C ATOM 49 O LYS A 4 -2.090 7.895 0.301 1.00 0.00 O ATOM 50 CB LYS A 4 1.032 8.455 0.136 1.00 0.00 C ATOM 51 CG LYS A 4 0.898 8.694 1.630 1.00 0.00 C ATOM 52 CD LYS A 4 -0.346 9.503 1.956 1.00 0.00 C ATOM 53 CE LYS A 4 -0.085 10.500 3.074 1.00 0.00 C ATOM 54 NZ LYS A 4 0.448 11.790 2.554 1.00 0.00 N ATOM 0 H LYS A 4 1.230 7.435 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 4 0.094 6.534 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.071 8.219 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.789 9.376 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.857 7.737 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.781 9.219 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.680 10.034 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.153 8.830 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.010 10.683 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.625 10.073 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.613 12.442 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.344 11.619 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.240 12.210 1.897 1.00 0.00 H new ATOM 68 N ASN A 5 -1.558 8.251 -1.855 1.00 0.00 N ATOM 69 CA ASN A 5 -2.874 8.772 -2.208 1.00 0.00 C ATOM 70 C ASN A 5 -3.249 8.382 -3.634 1.00 0.00 C ATOM 71 O ASN A 5 -4.225 7.665 -3.856 1.00 0.00 O ATOM 72 CB ASN A 5 -2.899 10.295 -2.061 1.00 0.00 C ATOM 73 CG ASN A 5 -1.564 10.930 -2.399 1.00 0.00 C ATOM 74 OD1 ASN A 5 -1.218 11.087 -3.570 1.00 0.00 O ATOM 75 ND2 ASN A 5 -0.807 11.300 -1.372 1.00 0.00 N ATOM 0 H ASN A 5 -0.894 8.223 -2.629 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.604 8.336 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.670 10.708 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.173 10.554 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.101 11.734 -1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.134 11.151 -0.417 1.00 0.00 H new ATOM 82 N ARG A 6 -2.467 8.859 -4.597 1.00 0.00 N ATOM 83 CA ARG A 6 -2.717 8.560 -6.002 1.00 0.00 C ATOM 84 C ARG A 6 -1.441 8.088 -6.693 1.00 0.00 C ATOM 85 O ARG A 6 -0.432 7.823 -6.041 1.00 0.00 O ATOM 86 CB ARG A 6 -3.270 9.794 -6.717 1.00 0.00 C ATOM 87 CG ARG A 6 -4.500 10.386 -6.049 1.00 0.00 C ATOM 88 CD ARG A 6 -4.539 11.899 -6.193 1.00 0.00 C ATOM 89 NE ARG A 6 -4.876 12.311 -7.553 1.00 0.00 N ATOM 90 CZ ARG A 6 -6.098 12.222 -8.066 1.00 0.00 C ATOM 91 NH1 ARG A 6 -7.094 11.738 -7.337 1.00 0.00 N ATOM 92 NH2 ARG A 6 -6.326 12.617 -9.312 1.00 0.00 N ATOM 0 H ARG A 6 -1.655 9.454 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.454 7.759 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.491 10.555 -6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.518 9.527 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.398 9.954 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.505 10.120 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.271 12.311 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.569 12.314 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.132 12.688 -8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.923 11.433 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.031 11.671 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.563 12.989 -9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.265 12.548 -9.705 1.00 0.00 H new ATOM 106 N ARG A 7 -1.495 7.984 -8.017 1.00 0.00 N ATOM 107 CA ARG A 7 -0.345 7.541 -8.796 1.00 0.00 C ATOM 108 C ARG A 7 0.140 8.649 -9.727 1.00 0.00 C ATOM 109 O ARG A 7 -0.559 9.637 -9.947 1.00 0.00 O ATOM 110 CB ARG A 7 -0.702 6.296 -9.610 1.00 0.00 C ATOM 111 CG ARG A 7 -1.394 5.215 -8.797 1.00 0.00 C ATOM 112 CD ARG A 7 -1.143 3.833 -9.380 1.00 0.00 C ATOM 113 NE ARG A 7 -2.378 3.196 -9.829 1.00 0.00 N ATOM 114 CZ ARG A 7 -2.972 3.475 -10.984 1.00 0.00 C ATOM 115 NH1 ARG A 7 -2.445 4.376 -11.802 1.00 0.00 N ATOM 116 NH2 ARG A 7 -4.094 2.853 -11.323 1.00 0.00 N ATOM 0 H ARG A 7 -2.323 8.200 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 7 0.459 7.295 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.349 6.587 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.208 5.884 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.037 5.247 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.466 5.410 -8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.451 3.913 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.663 3.205 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.808 2.498 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.582 4.856 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.902 4.589 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.502 2.159 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.549 3.069 -12.210 1.00 0.00 H new ATOM 130 N GLU A 8 1.341 8.475 -10.270 1.00 0.00 N ATOM 131 CA GLU A 8 1.918 9.461 -11.176 1.00 0.00 C ATOM 132 C GLU A 8 2.989 8.827 -12.059 1.00 0.00 C ATOM 133 O GLU A 8 3.061 9.099 -13.258 1.00 0.00 O ATOM 134 CB GLU A 8 2.519 10.624 -10.384 1.00 0.00 C ATOM 135 CG GLU A 8 2.032 11.989 -10.843 1.00 0.00 C ATOM 136 CD GLU A 8 0.748 12.411 -10.156 1.00 0.00 C ATOM 137 OE1 GLU A 8 0.643 12.222 -8.926 1.00 0.00 O ATOM 138 OE2 GLU A 8 -0.152 12.930 -10.849 1.00 0.00 O ATOM 0 H GLU A 8 1.932 7.662 -10.099 1.00 0.00 H new ATOM 0 HA GLU A 8 1.120 9.839 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.277 10.497 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.605 10.588 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.806 12.731 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.874 11.971 -11.921 1.00 0.00 H new ATOM 145 N ARG A 9 3.818 7.980 -11.458 1.00 0.00 N ATOM 146 CA ARG A 9 4.886 7.308 -12.189 1.00 0.00 C ATOM 147 C ARG A 9 4.331 6.165 -13.034 1.00 0.00 C ATOM 148 O ARG A 9 4.592 6.081 -14.234 1.00 0.00 O ATOM 149 CB ARG A 9 5.939 6.773 -11.217 1.00 0.00 C ATOM 150 CG ARG A 9 7.368 7.011 -11.677 1.00 0.00 C ATOM 151 CD ARG A 9 7.857 5.888 -12.579 1.00 0.00 C ATOM 152 NE ARG A 9 8.839 6.357 -13.553 1.00 0.00 N ATOM 153 CZ ARG A 9 9.602 5.546 -14.277 1.00 0.00 C ATOM 154 NH1 ARG A 9 9.496 4.232 -14.138 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.473 6.049 -15.143 1.00 0.00 N ATOM 0 H ARG A 9 3.771 7.743 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 9 5.351 8.036 -12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.796 7.244 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.784 5.703 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.426 7.960 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.022 7.093 -10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.299 5.100 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.008 5.448 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 9 8.945 7.363 -13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.827 3.842 -13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.083 3.611 -14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.557 7.060 -15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.058 5.425 -15.698 1.00 0.00 H new ATOM 169 N THR A 10 3.563 5.285 -12.399 1.00 0.00 N ATOM 170 CA THR A 10 2.972 4.146 -13.090 1.00 0.00 C ATOM 171 C THR A 10 2.086 3.333 -12.154 1.00 0.00 C ATOM 172 O THR A 10 1.889 3.699 -10.994 1.00 0.00 O ATOM 173 CB THR A 10 4.056 3.224 -13.682 1.00 0.00 C ATOM 174 OG1 THR A 10 3.467 2.313 -14.616 1.00 0.00 O ATOM 175 CG2 THR A 10 4.762 2.445 -12.582 1.00 0.00 C ATOM 0 H THR A 10 3.336 5.340 -11.406 1.00 0.00 H new ATOM 0 HA THR A 10 2.365 4.549 -13.901 1.00 0.00 H new ATOM 0 HB THR A 10 4.790 3.845 -14.195 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.162 1.732 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.523 1.801 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.234 3.141 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.036 1.834 -12.045 1.00 0.00 H new ATOM 183 N THR A 11 1.552 2.227 -12.663 1.00 0.00 N ATOM 184 CA THR A 11 0.685 1.363 -11.872 1.00 0.00 C ATOM 185 C THR A 11 1.320 1.031 -10.527 1.00 0.00 C ATOM 186 O THR A 11 0.715 1.242 -9.475 1.00 0.00 O ATOM 187 CB THR A 11 0.370 0.051 -12.616 1.00 0.00 C ATOM 188 OG1 THR A 11 0.355 0.281 -14.030 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.972 -0.512 -12.175 1.00 0.00 C ATOM 0 H THR A 11 1.705 1.909 -13.620 1.00 0.00 H new ATOM 0 HA THR A 11 -0.243 1.911 -11.708 1.00 0.00 H new ATOM 0 HB THR A 11 1.147 -0.674 -12.374 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.156 -0.558 -14.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.173 -1.438 -12.714 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.948 -0.713 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.759 0.211 -12.391 1.00 0.00 H new ATOM 197 N TYR A 12 2.541 0.510 -10.567 1.00 0.00 N ATOM 198 CA TYR A 12 3.257 0.147 -9.349 1.00 0.00 C ATOM 199 C TYR A 12 4.750 -0.013 -9.623 1.00 0.00 C ATOM 200 O TYR A 12 5.175 -0.978 -10.258 1.00 0.00 O ATOM 201 CB TYR A 12 2.692 -1.149 -8.767 1.00 0.00 C ATOM 202 CG TYR A 12 2.292 -2.161 -9.818 1.00 0.00 C ATOM 203 CD1 TYR A 12 3.215 -3.071 -10.319 1.00 0.00 C ATOM 204 CD2 TYR A 12 0.994 -2.206 -10.309 1.00 0.00 C ATOM 205 CE1 TYR A 12 2.855 -3.997 -11.280 1.00 0.00 C ATOM 206 CE2 TYR A 12 0.624 -3.130 -11.268 1.00 0.00 C ATOM 207 CZ TYR A 12 1.558 -4.023 -11.750 1.00 0.00 C ATOM 208 OH TYR A 12 1.195 -4.943 -12.706 1.00 0.00 O ATOM 0 H TYR A 12 3.056 0.329 -11.429 1.00 0.00 H new ATOM 0 HA TYR A 12 3.122 0.951 -8.625 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.436 -1.597 -8.108 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.823 -0.913 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.230 -3.054 -9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.261 -1.507 -9.935 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.585 -4.696 -11.661 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.390 -3.153 -11.638 1.00 0.00 H new ATOM 0 HH TYR A 12 0.247 -4.828 -12.927 1.00 0.00 H new ATOM 218 N SER A 13 5.539 0.939 -9.137 1.00 0.00 N ATOM 219 CA SER A 13 6.984 0.906 -9.331 1.00 0.00 C ATOM 220 C SER A 13 7.713 1.286 -8.046 1.00 0.00 C ATOM 221 O SER A 13 7.093 1.705 -7.068 1.00 0.00 O ATOM 222 CB SER A 13 7.390 1.855 -10.460 1.00 0.00 C ATOM 223 OG SER A 13 8.787 1.799 -10.696 1.00 0.00 O ATOM 0 H SER A 13 5.203 1.742 -8.606 1.00 0.00 H new ATOM 0 HA SER A 13 7.266 -0.111 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.853 1.592 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.102 2.874 -10.204 1.00 0.00 H new ATOM 0 HG SER A 13 9.148 2.709 -10.742 1.00 0.00 H new ATOM 229 N ARG A 14 9.034 1.137 -8.056 1.00 0.00 N ATOM 230 CA ARG A 14 9.849 1.463 -6.891 1.00 0.00 C ATOM 231 C ARG A 14 10.110 2.965 -6.814 1.00 0.00 C ATOM 232 O ARG A 14 10.469 3.488 -5.759 1.00 0.00 O ATOM 233 CB ARG A 14 11.177 0.706 -6.943 1.00 0.00 C ATOM 234 CG ARG A 14 11.982 0.975 -8.204 1.00 0.00 C ATOM 235 CD ARG A 14 11.853 -0.165 -9.202 1.00 0.00 C ATOM 236 NE ARG A 14 13.056 -0.319 -10.016 1.00 0.00 N ATOM 237 CZ ARG A 14 13.089 -0.999 -11.156 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.991 -1.583 -11.616 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.222 -1.094 -11.841 1.00 0.00 N ATOM 0 H ARG A 14 9.563 0.793 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 14 9.301 1.160 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.776 0.980 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.979 -0.363 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.641 1.903 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.031 1.115 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.656 -1.094 -8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.997 0.017 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 14 13.918 0.120 -9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.118 -1.511 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.020 -2.105 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.068 -0.644 -11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.246 -1.617 -12.717 1.00 0.00 H new ATOM 253 N GLN A 15 9.926 3.651 -7.937 1.00 0.00 N ATOM 254 CA GLN A 15 10.143 5.092 -7.996 1.00 0.00 C ATOM 255 C GLN A 15 9.428 5.797 -6.848 1.00 0.00 C ATOM 256 O GLN A 15 10.039 6.562 -6.102 1.00 0.00 O ATOM 257 CB GLN A 15 9.656 5.648 -9.335 1.00 0.00 C ATOM 258 CG GLN A 15 10.672 5.511 -10.457 1.00 0.00 C ATOM 259 CD GLN A 15 11.376 4.168 -10.447 1.00 0.00 C ATOM 260 OE1 GLN A 15 10.927 3.214 -11.084 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.485 4.086 -9.721 1.00 0.00 N ATOM 0 H GLN A 15 9.627 3.233 -8.818 1.00 0.00 H new ATOM 0 HA GLN A 15 11.213 5.277 -7.902 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.739 5.132 -9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.404 6.701 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.170 5.647 -11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.413 6.306 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.821 4.902 -9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.001 3.207 -9.675 1.00 0.00 H new ATOM 270 N GLN A 16 8.133 5.534 -6.714 1.00 0.00 N ATOM 271 CA GLN A 16 7.335 6.145 -5.657 1.00 0.00 C ATOM 272 C GLN A 16 7.943 5.867 -4.286 1.00 0.00 C ATOM 273 O GLN A 16 7.806 6.668 -3.361 1.00 0.00 O ATOM 274 CB GLN A 16 5.898 5.623 -5.707 1.00 0.00 C ATOM 275 CG GLN A 16 5.303 5.612 -7.105 1.00 0.00 C ATOM 276 CD GLN A 16 3.814 5.323 -7.104 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.340 4.448 -7.829 1.00 0.00 O ATOM 278 NE2 GLN A 16 3.069 6.057 -6.286 1.00 0.00 N ATOM 0 H GLN A 16 7.613 4.902 -7.323 1.00 0.00 H new ATOM 0 HA GLN A 16 7.328 7.223 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.874 4.611 -5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.274 6.240 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.482 6.577 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.814 4.861 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.504 6.772 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.061 5.906 -6.241 1.00 0.00 H new ATOM 287 N LEU A 17 8.614 4.728 -4.163 1.00 0.00 N ATOM 288 CA LEU A 17 9.244 4.343 -2.904 1.00 0.00 C ATOM 289 C LEU A 17 10.680 4.852 -2.836 1.00 0.00 C ATOM 290 O LEU A 17 11.314 4.809 -1.782 1.00 0.00 O ATOM 291 CB LEU A 17 9.221 2.822 -2.744 1.00 0.00 C ATOM 292 CG LEU A 17 7.847 2.192 -2.515 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.809 0.777 -3.072 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.499 2.194 -1.034 1.00 0.00 C ATOM 0 H LEU A 17 8.736 4.054 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 17 8.679 4.796 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.659 2.376 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.865 2.555 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 17 7.103 2.788 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.823 0.345 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.012 0.802 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.564 0.169 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.518 1.742 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.246 1.622 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.483 3.220 -0.665 1.00 0.00 H new ATOM 306 N GLU A 18 11.186 5.335 -3.966 1.00 0.00 N ATOM 307 CA GLU A 18 12.547 5.853 -4.033 1.00 0.00 C ATOM 308 C GLU A 18 12.652 7.200 -3.323 1.00 0.00 C ATOM 309 O GLU A 18 13.627 7.468 -2.620 1.00 0.00 O ATOM 310 CB GLU A 18 12.991 5.996 -5.491 1.00 0.00 C ATOM 311 CG GLU A 18 13.287 4.670 -6.170 1.00 0.00 C ATOM 312 CD GLU A 18 14.757 4.304 -6.120 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.523 4.805 -6.970 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.142 3.516 -5.231 1.00 0.00 O ATOM 0 H GLU A 18 10.674 5.378 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 18 13.204 5.144 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.212 6.515 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.883 6.622 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.704 3.883 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.964 4.719 -7.210 1.00 0.00 H new ATOM 321 N ILE A 19 11.643 8.042 -3.514 1.00 0.00 N ATOM 322 CA ILE A 19 11.621 9.360 -2.892 1.00 0.00 C ATOM 323 C ILE A 19 12.050 9.286 -1.430 1.00 0.00 C ATOM 324 O ILE A 19 12.759 10.163 -0.934 1.00 0.00 O ATOM 325 CB ILE A 19 10.222 9.998 -2.972 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.705 9.965 -4.412 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.260 11.426 -2.450 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.516 9.051 -4.606 1.00 0.00 C ATOM 0 H ILE A 19 10.830 7.835 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 19 12.327 9.980 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 19 9.540 9.422 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.429 10.975 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.511 9.644 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.264 11.863 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.591 11.425 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.953 12.015 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.203 9.077 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.793 8.032 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.694 9.384 -3.972 1.00 0.00 H new ATOM 340 N LEU A 20 11.618 8.232 -0.746 1.00 0.00 N ATOM 341 CA LEU A 20 11.958 8.041 0.660 1.00 0.00 C ATOM 342 C LEU A 20 13.196 7.162 0.805 1.00 0.00 C ATOM 343 O LEU A 20 14.222 7.599 1.326 1.00 0.00 O ATOM 344 CB LEU A 20 10.782 7.413 1.409 1.00 0.00 C ATOM 345 CG LEU A 20 9.402 7.618 0.784 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.196 9.078 0.411 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.231 6.725 -0.437 1.00 0.00 C ATOM 0 H LEU A 20 11.032 7.497 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 20 12.175 9.018 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.963 6.342 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.764 7.817 2.421 1.00 0.00 H new ATOM 0 HG LEU A 20 8.647 7.342 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.208 9.204 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.274 9.696 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.958 9.381 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.243 6.884 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.994 6.969 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.334 5.681 -0.141 1.00 0.00 H new ATOM 359 N GLU A 21 13.093 5.921 0.339 1.00 0.00 N ATOM 360 CA GLU A 21 14.205 4.981 0.417 1.00 0.00 C ATOM 361 C GLU A 21 15.516 5.657 0.025 1.00 0.00 C ATOM 362 O GLU A 21 16.589 5.279 0.499 1.00 0.00 O ATOM 363 CB GLU A 21 13.948 3.776 -0.491 1.00 0.00 C ATOM 364 CG GLU A 21 14.364 2.451 0.125 1.00 0.00 C ATOM 365 CD GLU A 21 15.841 2.404 0.466 1.00 0.00 C ATOM 366 OE1 GLU A 21 16.667 2.413 -0.471 1.00 0.00 O ATOM 367 OE2 GLU A 21 16.171 2.360 1.669 1.00 0.00 O ATOM 0 H GLU A 21 12.251 5.544 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 21 14.287 4.638 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.887 3.736 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.486 3.916 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.781 2.276 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.129 1.643 -0.568 1.00 0.00 H new ATOM 374 N THR A 22 15.423 6.658 -0.844 1.00 0.00 N ATOM 375 CA THR A 22 16.600 7.386 -1.301 1.00 0.00 C ATOM 376 C THR A 22 16.872 8.601 -0.422 1.00 0.00 C ATOM 377 O THR A 22 17.973 8.765 0.104 1.00 0.00 O ATOM 378 CB THR A 22 16.441 7.849 -2.762 1.00 0.00 C ATOM 379 OG1 THR A 22 16.071 6.741 -3.590 1.00 0.00 O ATOM 380 CG2 THR A 22 17.734 8.463 -3.278 1.00 0.00 C ATOM 0 H THR A 22 14.544 6.983 -1.246 1.00 0.00 H new ATOM 0 HA THR A 22 17.443 6.698 -1.234 1.00 0.00 H new ATOM 0 HB THR A 22 15.657 8.606 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.115 6.556 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.598 8.783 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.999 9.324 -2.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.533 7.723 -3.229 1.00 0.00 H new ATOM 388 N LEU A 23 15.862 9.449 -0.265 1.00 0.00 N ATOM 389 CA LEU A 23 15.992 10.650 0.553 1.00 0.00 C ATOM 390 C LEU A 23 16.070 10.295 2.034 1.00 0.00 C ATOM 391 O LEU A 23 17.093 10.516 2.683 1.00 0.00 O ATOM 392 CB LEU A 23 14.811 11.591 0.304 1.00 0.00 C ATOM 393 CG LEU A 23 14.960 13.013 0.846 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.959 13.945 0.182 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.784 13.028 2.358 1.00 0.00 C ATOM 0 H LEU A 23 14.944 9.328 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 23 16.916 11.154 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.639 11.649 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.919 11.147 0.746 1.00 0.00 H new ATOM 0 HG LEU A 23 15.964 13.367 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.080 14.952 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.132 13.957 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.947 13.595 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.893 14.048 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.792 12.654 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.540 12.393 2.819 1.00 0.00 H new ATOM 407 N PHE A 24 14.984 9.740 2.563 1.00 0.00 N ATOM 408 CA PHE A 24 14.930 9.352 3.967 1.00 0.00 C ATOM 409 C PHE A 24 16.213 8.638 4.384 1.00 0.00 C ATOM 410 O PHE A 24 16.693 8.804 5.504 1.00 0.00 O ATOM 411 CB PHE A 24 13.723 8.447 4.222 1.00 0.00 C ATOM 412 CG PHE A 24 13.684 7.877 5.611 1.00 0.00 C ATOM 413 CD1 PHE A 24 14.314 6.677 5.900 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.019 8.542 6.629 1.00 0.00 C ATOM 415 CE1 PHE A 24 14.279 6.150 7.177 1.00 0.00 C ATOM 416 CE2 PHE A 24 12.981 8.020 7.908 1.00 0.00 C ATOM 417 CZ PHE A 24 13.613 6.823 8.183 1.00 0.00 C ATOM 0 H PHE A 24 14.129 9.549 2.040 1.00 0.00 H new ATOM 0 HA PHE A 24 14.829 10.258 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.809 9.015 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.734 7.629 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 24 14.838 6.148 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 24 12.525 9.479 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.772 5.213 7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.458 8.547 8.692 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.587 6.414 9.182 1.00 0.00 H new ATOM 427 N ASN A 25 16.762 7.841 3.472 1.00 0.00 N ATOM 428 CA ASN A 25 17.988 7.100 3.745 1.00 0.00 C ATOM 429 C ASN A 25 19.209 8.007 3.629 1.00 0.00 C ATOM 430 O ASN A 25 20.106 7.966 4.471 1.00 0.00 O ATOM 431 CB ASN A 25 18.121 5.921 2.778 1.00 0.00 C ATOM 432 CG ASN A 25 19.277 5.007 3.137 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.357 5.096 2.552 1.00 0.00 O ATOM 434 ND2 ASN A 25 19.054 4.123 4.102 1.00 0.00 N ATOM 0 H ASN A 25 16.378 7.692 2.539 1.00 0.00 H new ATOM 0 HA ASN A 25 17.935 6.721 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.194 5.348 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.261 6.299 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.794 3.481 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.143 4.086 4.559 1.00 0.00 H new ATOM 441 N GLU A 26 19.235 8.825 2.582 1.00 0.00 N ATOM 442 CA GLU A 26 20.347 9.742 2.357 1.00 0.00 C ATOM 443 C GLU A 26 20.605 10.597 3.594 1.00 0.00 C ATOM 444 O GLU A 26 21.744 10.734 4.042 1.00 0.00 O ATOM 445 CB GLU A 26 20.059 10.641 1.153 1.00 0.00 C ATOM 446 CG GLU A 26 21.195 11.594 0.819 1.00 0.00 C ATOM 447 CD GLU A 26 21.063 12.929 1.527 1.00 0.00 C ATOM 448 OE1 GLU A 26 20.086 13.654 1.249 1.00 0.00 O ATOM 449 OE2 GLU A 26 21.939 13.248 2.358 1.00 0.00 O ATOM 0 H GLU A 26 18.500 8.872 1.877 1.00 0.00 H new ATOM 0 HA GLU A 26 21.239 9.149 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.853 10.016 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.157 11.220 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.144 11.133 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.221 11.759 -0.258 1.00 0.00 H new ATOM 456 N THR A 27 19.539 11.172 4.142 1.00 0.00 N ATOM 457 CA THR A 27 19.649 12.016 5.326 1.00 0.00 C ATOM 458 C THR A 27 18.277 12.482 5.798 1.00 0.00 C ATOM 459 O THR A 27 17.278 12.304 5.102 1.00 0.00 O ATOM 460 CB THR A 27 20.533 13.248 5.057 1.00 0.00 C ATOM 461 OG1 THR A 27 20.833 13.914 6.289 1.00 0.00 O ATOM 462 CG2 THR A 27 19.841 14.214 4.107 1.00 0.00 C ATOM 0 H THR A 27 18.589 11.069 3.785 1.00 0.00 H new ATOM 0 HA THR A 27 20.111 11.410 6.105 1.00 0.00 H new ATOM 0 HB THR A 27 21.459 12.909 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.856 14.882 6.140 1.00 0.00 H new ATOM 0 HG21 THR A 27 20.485 15.076 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 27 19.641 13.713 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 27 18.901 14.546 4.547 1.00 0.00 H new ATOM 470 N GLN A 28 18.237 13.079 6.985 1.00 0.00 N ATOM 471 CA GLN A 28 16.985 13.571 7.550 1.00 0.00 C ATOM 472 C GLN A 28 16.863 15.080 7.369 1.00 0.00 C ATOM 473 O GLN A 28 16.464 15.795 8.289 1.00 0.00 O ATOM 474 CB GLN A 28 16.896 13.214 9.034 1.00 0.00 C ATOM 475 CG GLN A 28 16.555 11.755 9.290 1.00 0.00 C ATOM 476 CD GLN A 28 16.332 11.456 10.759 1.00 0.00 C ATOM 477 OE1 GLN A 28 15.212 11.554 11.261 1.00 0.00 O ATOM 478 NE2 GLN A 28 17.399 11.089 11.458 1.00 0.00 N ATOM 0 H GLN A 28 19.056 13.234 7.574 1.00 0.00 H new ATOM 0 HA GLN A 28 16.162 13.092 7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.848 13.445 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.141 13.843 9.506 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.658 11.492 8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.362 11.126 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.309 11.021 11.002 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.309 10.875 12.451 1.00 0.00 H new ATOM 487 N TYR A 29 17.208 15.559 6.179 1.00 0.00 N ATOM 488 CA TYR A 29 17.139 16.984 5.879 1.00 0.00 C ATOM 489 C TYR A 29 16.046 17.273 4.855 1.00 0.00 C ATOM 490 O TYR A 29 16.306 17.461 3.667 1.00 0.00 O ATOM 491 CB TYR A 29 18.487 17.482 5.356 1.00 0.00 C ATOM 492 CG TYR A 29 19.640 17.208 6.295 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.475 17.293 7.672 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.894 16.864 5.806 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.525 17.044 8.535 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.950 16.612 6.661 1.00 0.00 C ATOM 497 CZ TYR A 29 21.760 16.704 8.024 1.00 0.00 C ATOM 498 OH TYR A 29 22.810 16.455 8.879 1.00 0.00 O ATOM 0 H TYR A 29 17.538 14.981 5.406 1.00 0.00 H new ATOM 0 HA TYR A 29 16.897 17.512 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.692 17.009 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.423 18.555 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.509 17.558 8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 29 21.046 16.792 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.379 17.115 9.603 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.918 16.345 6.264 1.00 0.00 H new ATOM 0 HH TYR A 29 23.609 16.228 8.359 1.00 0.00 H new ATOM 508 N PRO A 30 14.790 17.309 5.327 1.00 0.00 N ATOM 509 CA PRO A 30 13.631 17.576 4.470 1.00 0.00 C ATOM 510 C PRO A 30 13.593 19.019 3.979 1.00 0.00 C ATOM 511 O PRO A 30 12.836 19.841 4.496 1.00 0.00 O ATOM 512 CB PRO A 30 12.439 17.292 5.388 1.00 0.00 C ATOM 513 CG PRO A 30 12.962 17.511 6.766 1.00 0.00 C ATOM 514 CD PRO A 30 14.406 17.094 6.732 1.00 0.00 C ATOM 0 HA PRO A 30 13.644 16.969 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.604 17.958 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.075 16.273 5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.865 18.556 7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.403 16.923 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.013 17.693 7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.531 16.052 7.028 1.00 0.00 H new ATOM 522 N ASP A 31 14.412 19.320 2.978 1.00 0.00 N ATOM 523 CA ASP A 31 14.471 20.664 2.415 1.00 0.00 C ATOM 524 C ASP A 31 14.308 20.626 0.899 1.00 0.00 C ATOM 525 O ASP A 31 14.245 19.554 0.297 1.00 0.00 O ATOM 526 CB ASP A 31 15.795 21.336 2.781 1.00 0.00 C ATOM 527 CG ASP A 31 15.884 21.675 4.256 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.852 22.074 4.836 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.985 21.542 4.831 1.00 0.00 O ATOM 0 H ASP A 31 15.045 18.651 2.539 1.00 0.00 H new ATOM 0 HA ASP A 31 13.650 21.244 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.620 20.677 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.911 22.247 2.194 1.00 0.00 H new ATOM 534 N VAL A 32 14.238 21.804 0.286 1.00 0.00 N ATOM 535 CA VAL A 32 14.082 21.905 -1.160 1.00 0.00 C ATOM 536 C VAL A 32 15.150 21.094 -1.886 1.00 0.00 C ATOM 537 O VAL A 32 14.872 20.444 -2.894 1.00 0.00 O ATOM 538 CB VAL A 32 14.157 23.370 -1.631 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.811 24.057 -1.455 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.248 24.116 -0.878 1.00 0.00 C ATOM 0 H VAL A 32 14.287 22.701 0.769 1.00 0.00 H new ATOM 0 HA VAL A 32 13.098 21.503 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 32 14.407 23.380 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.883 25.091 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.056 23.535 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.528 24.038 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.287 25.149 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.030 24.098 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.209 23.636 -1.060 1.00 0.00 H new ATOM 550 N PHE A 33 16.372 21.137 -1.367 1.00 0.00 N ATOM 551 CA PHE A 33 17.483 20.406 -1.966 1.00 0.00 C ATOM 552 C PHE A 33 17.181 18.912 -2.027 1.00 0.00 C ATOM 553 O PHE A 33 17.743 18.187 -2.848 1.00 0.00 O ATOM 554 CB PHE A 33 18.768 20.646 -1.171 1.00 0.00 C ATOM 555 CG PHE A 33 19.897 21.182 -2.003 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.923 22.513 -2.387 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.934 20.353 -2.402 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.961 23.007 -3.154 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.975 20.843 -3.169 1.00 0.00 C ATOM 560 CZ PHE A 33 21.989 22.172 -3.544 1.00 0.00 C ATOM 0 H PHE A 33 16.619 21.670 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 33 17.620 20.773 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.560 21.346 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.080 19.709 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.123 23.172 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.929 19.313 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.968 24.046 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.777 20.187 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.802 22.557 -4.141 1.00 0.00 H new ATOM 570 N ALA A 34 16.290 18.458 -1.151 1.00 0.00 N ATOM 571 CA ALA A 34 15.912 17.051 -1.105 1.00 0.00 C ATOM 572 C ALA A 34 14.769 16.758 -2.071 1.00 0.00 C ATOM 573 O ALA A 34 14.933 16.006 -3.032 1.00 0.00 O ATOM 574 CB ALA A 34 15.524 16.655 0.311 1.00 0.00 C ATOM 0 H ALA A 34 15.817 19.045 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 34 16.774 16.458 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.244 15.602 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.370 16.818 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.680 17.261 0.640 1.00 0.00 H new ATOM 580 N ARG A 35 13.611 17.356 -1.809 1.00 0.00 N ATOM 581 CA ARG A 35 12.440 17.158 -2.654 1.00 0.00 C ATOM 582 C ARG A 35 12.765 17.463 -4.113 1.00 0.00 C ATOM 583 O ARG A 35 12.395 16.708 -5.012 1.00 0.00 O ATOM 584 CB ARG A 35 11.287 18.045 -2.181 1.00 0.00 C ATOM 585 CG ARG A 35 11.650 19.518 -2.089 1.00 0.00 C ATOM 586 CD ARG A 35 10.507 20.338 -1.512 1.00 0.00 C ATOM 587 NE ARG A 35 10.891 21.020 -0.279 1.00 0.00 N ATOM 588 CZ ARG A 35 10.261 22.089 0.197 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.222 22.594 -0.454 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.670 22.654 1.325 1.00 0.00 N ATOM 0 H ARG A 35 13.459 17.982 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 35 12.140 16.113 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.446 17.929 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.952 17.700 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.536 19.637 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.905 19.894 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.182 21.074 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.656 19.686 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 35 11.686 20.656 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.905 22.162 -1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.740 23.414 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.469 22.268 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.186 23.474 1.689 1.00 0.00 H new ATOM 604 N GLU A 36 13.458 18.574 -4.340 1.00 0.00 N ATOM 605 CA GLU A 36 13.831 18.979 -5.691 1.00 0.00 C ATOM 606 C GLU A 36 14.759 17.951 -6.330 1.00 0.00 C ATOM 607 O GLU A 36 14.816 17.826 -7.553 1.00 0.00 O ATOM 608 CB GLU A 36 14.509 20.350 -5.667 1.00 0.00 C ATOM 609 CG GLU A 36 14.855 20.882 -7.048 1.00 0.00 C ATOM 610 CD GLU A 36 14.949 22.395 -7.083 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.814 23.023 -6.012 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.157 22.951 -8.182 1.00 0.00 O ATOM 0 H GLU A 36 13.773 19.210 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 36 12.921 19.042 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.853 21.062 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.421 20.285 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.805 20.455 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.099 20.552 -7.760 1.00 0.00 H new ATOM 619 N ARG A 37 15.485 17.217 -5.493 1.00 0.00 N ATOM 620 CA ARG A 37 16.413 16.201 -5.976 1.00 0.00 C ATOM 621 C ARG A 37 15.664 14.943 -6.407 1.00 0.00 C ATOM 622 O ARG A 37 15.689 14.565 -7.579 1.00 0.00 O ATOM 623 CB ARG A 37 17.432 15.853 -4.889 1.00 0.00 C ATOM 624 CG ARG A 37 18.462 14.825 -5.328 1.00 0.00 C ATOM 625 CD ARG A 37 18.945 13.985 -4.155 1.00 0.00 C ATOM 626 NE ARG A 37 20.236 13.359 -4.425 1.00 0.00 N ATOM 627 CZ ARG A 37 21.398 13.994 -4.313 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.429 15.266 -3.939 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.532 13.357 -4.576 1.00 0.00 N ATOM 0 H ARG A 37 15.449 17.307 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 37 16.938 16.606 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.947 16.763 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.903 15.475 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.028 14.175 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.310 15.332 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.025 14.613 -3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.207 13.214 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 37 20.247 12.381 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.560 15.759 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.322 15.751 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.512 12.379 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.423 13.846 -4.490 1.00 0.00 H new ATOM 643 N VAL A 38 15.000 14.299 -5.453 1.00 0.00 N ATOM 644 CA VAL A 38 14.244 13.084 -5.734 1.00 0.00 C ATOM 645 C VAL A 38 13.231 13.313 -6.850 1.00 0.00 C ATOM 646 O VAL A 38 12.822 12.375 -7.532 1.00 0.00 O ATOM 647 CB VAL A 38 13.506 12.580 -4.480 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.472 11.884 -3.534 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.798 13.731 -3.780 1.00 0.00 C ATOM 0 H VAL A 38 14.970 14.598 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 38 14.964 12.329 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 38 12.754 11.855 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.932 11.535 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.928 11.034 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.250 12.584 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.282 13.357 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.530 14.481 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.074 14.180 -4.460 1.00 0.00 H new ATOM 659 N ALA A 39 12.831 14.568 -7.030 1.00 0.00 N ATOM 660 CA ALA A 39 11.867 14.921 -8.065 1.00 0.00 C ATOM 661 C ALA A 39 12.347 14.468 -9.439 1.00 0.00 C ATOM 662 O ALA A 39 11.542 14.156 -10.317 1.00 0.00 O ATOM 663 CB ALA A 39 11.614 16.421 -8.060 1.00 0.00 C ATOM 0 H ALA A 39 13.160 15.357 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 39 10.932 14.405 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.892 16.671 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.219 16.720 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.549 16.948 -8.250 1.00 0.00 H new ATOM 669 N ASP A 40 13.663 14.435 -9.620 1.00 0.00 N ATOM 670 CA ASP A 40 14.250 14.020 -10.889 1.00 0.00 C ATOM 671 C ASP A 40 14.386 12.502 -10.954 1.00 0.00 C ATOM 672 O ASP A 40 14.577 11.933 -12.028 1.00 0.00 O ATOM 673 CB ASP A 40 15.619 14.676 -11.080 1.00 0.00 C ATOM 674 CG ASP A 40 16.039 14.725 -12.536 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.535 15.602 -13.270 1.00 0.00 O ATOM 676 OD2 ASP A 40 16.871 13.888 -12.942 1.00 0.00 O ATOM 0 H ASP A 40 14.343 14.691 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 40 13.586 14.342 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.593 15.689 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.366 14.125 -10.508 1.00 0.00 H new ATOM 681 N GLN A 41 14.288 11.854 -9.798 1.00 0.00 N ATOM 682 CA GLN A 41 14.402 10.402 -9.724 1.00 0.00 C ATOM 683 C GLN A 41 13.119 9.731 -10.203 1.00 0.00 C ATOM 684 O GLN A 41 13.151 8.855 -11.069 1.00 0.00 O ATOM 685 CB GLN A 41 14.716 9.966 -8.292 1.00 0.00 C ATOM 686 CG GLN A 41 16.047 10.488 -7.775 1.00 0.00 C ATOM 687 CD GLN A 41 17.233 9.819 -8.440 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.447 8.616 -8.288 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.013 10.597 -9.181 1.00 0.00 N ATOM 0 H GLN A 41 14.130 12.311 -8.900 1.00 0.00 H new ATOM 0 HA GLN A 41 15.218 10.093 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.919 10.311 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.719 8.877 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.101 11.564 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.102 10.329 -6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.798 11.589 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.827 10.202 -9.652 1.00 0.00 H new ATOM 698 N ILE A 42 11.992 10.146 -9.635 1.00 0.00 N ATOM 699 CA ILE A 42 10.699 9.585 -10.005 1.00 0.00 C ATOM 700 C ILE A 42 10.042 10.400 -11.114 1.00 0.00 C ATOM 701 O ILE A 42 8.987 10.030 -11.629 1.00 0.00 O ATOM 702 CB ILE A 42 9.746 9.522 -8.797 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.141 10.900 -8.524 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.481 9.008 -7.568 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.065 10.889 -7.461 1.00 0.00 C ATOM 0 H ILE A 42 11.948 10.869 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 42 10.886 8.573 -10.364 1.00 0.00 H new ATOM 0 HB ILE A 42 8.936 8.830 -9.028 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.935 11.582 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.721 11.293 -9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.794 8.969 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.868 8.009 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.308 9.677 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.682 11.900 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.252 10.233 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.484 10.526 -6.523 1.00 0.00 H new ATOM 717 N ARG A 43 10.675 11.511 -11.478 1.00 0.00 N ATOM 718 CA ARG A 43 10.153 12.379 -12.526 1.00 0.00 C ATOM 719 C ARG A 43 8.858 13.051 -12.081 1.00 0.00 C ATOM 720 O ARG A 43 7.819 12.911 -12.727 1.00 0.00 O ATOM 721 CB ARG A 43 9.910 11.578 -13.807 1.00 0.00 C ATOM 722 CG ARG A 43 9.790 12.442 -15.052 1.00 0.00 C ATOM 723 CD ARG A 43 11.068 13.225 -15.312 1.00 0.00 C ATOM 724 NE ARG A 43 11.047 13.890 -16.612 1.00 0.00 N ATOM 725 CZ ARG A 43 11.280 13.265 -17.761 1.00 0.00 C ATOM 726 NH1 ARG A 43 11.549 11.967 -17.771 1.00 0.00 N ATOM 727 NH2 ARG A 43 11.243 13.939 -18.903 1.00 0.00 N ATOM 0 H ARG A 43 11.550 11.831 -11.062 1.00 0.00 H new ATOM 0 HA ARG A 43 10.894 13.153 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.728 10.870 -13.944 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.998 10.993 -13.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.566 11.812 -15.913 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.955 13.133 -14.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.204 13.968 -14.527 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.923 12.550 -15.264 1.00 0.00 H new ATOM 0 HE ARG A 43 10.842 14.889 -16.639 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.578 11.445 -16.895 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.727 11.490 -18.655 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.036 14.938 -18.899 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.422 13.459 -19.785 1.00 0.00 H new ATOM 741 N LEU A 44 8.927 13.781 -10.973 1.00 0.00 N ATOM 742 CA LEU A 44 7.760 14.476 -10.440 1.00 0.00 C ATOM 743 C LEU A 44 8.134 15.871 -9.949 1.00 0.00 C ATOM 744 O LEU A 44 9.308 16.168 -9.731 1.00 0.00 O ATOM 745 CB LEU A 44 7.140 13.669 -9.297 1.00 0.00 C ATOM 746 CG LEU A 44 5.802 14.182 -8.763 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.772 14.247 -9.879 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.307 13.297 -7.628 1.00 0.00 C ATOM 0 H LEU A 44 9.779 13.907 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 44 7.030 14.578 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.004 12.642 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.851 13.640 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 44 5.949 15.189 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.826 14.614 -9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.123 14.922 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.627 13.252 -10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.354 13.677 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.176 12.278 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.037 13.302 -6.818 1.00 0.00 H new ATOM 760 N GLN A 45 7.127 16.721 -9.775 1.00 0.00 N ATOM 761 CA GLN A 45 7.351 18.084 -9.308 1.00 0.00 C ATOM 762 C GLN A 45 8.092 18.088 -7.975 1.00 0.00 C ATOM 763 O GLN A 45 7.921 17.184 -7.157 1.00 0.00 O ATOM 764 CB GLN A 45 6.018 18.822 -9.167 1.00 0.00 C ATOM 765 CG GLN A 45 5.859 19.981 -10.137 1.00 0.00 C ATOM 766 CD GLN A 45 4.409 20.372 -10.346 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.526 19.516 -10.406 1.00 0.00 O ATOM 768 NE2 GLN A 45 4.156 21.671 -10.458 1.00 0.00 N ATOM 0 H GLN A 45 6.149 16.490 -9.950 1.00 0.00 H new ATOM 0 HA GLN A 45 7.967 18.598 -10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.203 18.115 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.926 19.197 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.413 20.842 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.300 19.710 -11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.919 22.346 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.199 21.994 -10.600 1.00 0.00 H new ATOM 777 N GLU A 46 8.915 19.110 -7.764 1.00 0.00 N ATOM 778 CA GLU A 46 9.683 19.230 -6.531 1.00 0.00 C ATOM 779 C GLU A 46 8.760 19.440 -5.334 1.00 0.00 C ATOM 780 O GLU A 46 8.910 18.791 -4.299 1.00 0.00 O ATOM 781 CB GLU A 46 10.677 20.389 -6.633 1.00 0.00 C ATOM 782 CG GLU A 46 10.032 21.712 -7.007 1.00 0.00 C ATOM 783 CD GLU A 46 10.923 22.567 -7.887 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.852 23.204 -7.349 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.691 22.600 -9.114 1.00 0.00 O ATOM 0 H GLU A 46 9.067 19.867 -8.431 1.00 0.00 H new ATOM 0 HA GLU A 46 10.234 18.301 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.190 20.502 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.436 20.142 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.092 21.520 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.788 22.263 -6.099 1.00 0.00 H new ATOM 792 N SER A 47 7.806 20.354 -5.483 1.00 0.00 N ATOM 793 CA SER A 47 6.861 20.654 -4.414 1.00 0.00 C ATOM 794 C SER A 47 5.793 19.569 -4.312 1.00 0.00 C ATOM 795 O SER A 47 5.149 19.413 -3.274 1.00 0.00 O ATOM 796 CB SER A 47 6.202 22.014 -4.654 1.00 0.00 C ATOM 797 OG SER A 47 5.134 22.230 -3.748 1.00 0.00 O ATOM 0 H SER A 47 7.667 20.899 -6.334 1.00 0.00 H new ATOM 0 HA SER A 47 7.412 20.686 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.943 22.805 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.831 22.066 -5.678 1.00 0.00 H new ATOM 0 HG SER A 47 4.731 23.106 -3.921 1.00 0.00 H new ATOM 803 N ARG A 48 5.612 18.822 -5.396 1.00 0.00 N ATOM 804 CA ARG A 48 4.622 17.753 -5.430 1.00 0.00 C ATOM 805 C ARG A 48 5.167 16.486 -4.775 1.00 0.00 C ATOM 806 O ARG A 48 4.477 15.836 -3.989 1.00 0.00 O ATOM 807 CB ARG A 48 4.209 17.457 -6.873 1.00 0.00 C ATOM 808 CG ARG A 48 3.160 16.364 -6.994 1.00 0.00 C ATOM 809 CD ARG A 48 1.902 16.710 -6.213 1.00 0.00 C ATOM 810 NE ARG A 48 0.691 16.483 -6.996 1.00 0.00 N ATOM 811 CZ ARG A 48 0.343 17.224 -8.043 1.00 0.00 C ATOM 812 NH1 ARG A 48 1.110 18.233 -8.429 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.775 16.954 -8.706 1.00 0.00 N ATOM 0 H ARG A 48 6.138 18.938 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 48 3.747 18.084 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.824 18.370 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.092 17.166 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.908 16.215 -8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.570 15.423 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.863 16.110 -5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.943 17.754 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 48 0.079 15.714 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.970 18.443 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.840 18.800 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.367 16.178 -8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.042 17.523 -9.509 1.00 0.00 H new ATOM 827 N ILE A 49 6.407 16.143 -5.106 1.00 0.00 N ATOM 828 CA ILE A 49 7.044 14.955 -4.550 1.00 0.00 C ATOM 829 C ILE A 49 7.017 14.980 -3.025 1.00 0.00 C ATOM 830 O ILE A 49 7.111 13.938 -2.377 1.00 0.00 O ATOM 831 CB ILE A 49 8.504 14.825 -5.024 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.880 13.351 -5.187 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.442 15.512 -4.043 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.269 13.141 -5.748 1.00 0.00 C ATOM 0 H ILE A 49 6.990 16.670 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 49 6.477 14.096 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 49 8.602 15.315 -5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.810 12.857 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.155 12.870 -5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.470 15.412 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.184 16.569 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.345 15.049 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.468 12.073 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.338 13.606 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.003 13.593 -5.081 1.00 0.00 H new ATOM 846 N GLN A 50 6.886 16.176 -2.460 1.00 0.00 N ATOM 847 CA GLN A 50 6.845 16.335 -1.012 1.00 0.00 C ATOM 848 C GLN A 50 5.701 15.527 -0.407 1.00 0.00 C ATOM 849 O GLN A 50 5.866 14.872 0.622 1.00 0.00 O ATOM 850 CB GLN A 50 6.691 17.812 -0.644 1.00 0.00 C ATOM 851 CG GLN A 50 7.705 18.292 0.382 1.00 0.00 C ATOM 852 CD GLN A 50 7.266 19.561 1.086 1.00 0.00 C ATOM 853 OE1 GLN A 50 8.011 20.540 1.148 1.00 0.00 O ATOM 854 NE2 GLN A 50 6.052 19.551 1.623 1.00 0.00 N ATOM 0 H GLN A 50 6.807 17.048 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 50 7.785 15.962 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.787 18.415 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.686 17.978 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.867 17.508 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.661 18.467 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.468 18.718 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.703 20.376 2.111 1.00 0.00 H new ATOM 863 N VAL A 51 4.541 15.578 -1.053 1.00 0.00 N ATOM 864 CA VAL A 51 3.369 14.850 -0.580 1.00 0.00 C ATOM 865 C VAL A 51 3.616 13.346 -0.590 1.00 0.00 C ATOM 866 O VAL A 51 3.089 12.614 0.248 1.00 0.00 O ATOM 867 CB VAL A 51 2.130 15.162 -1.439 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.000 16.660 -1.666 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.200 14.418 -2.764 1.00 0.00 C ATOM 0 H VAL A 51 4.387 16.116 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 51 3.184 15.178 0.443 1.00 0.00 H new ATOM 0 HB VAL A 51 1.244 14.822 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.119 16.861 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.900 17.166 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.888 17.028 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.316 14.650 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.094 14.725 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.240 13.345 -2.577 1.00 0.00 H new ATOM 879 N TRP A 52 4.420 12.890 -1.544 1.00 0.00 N ATOM 880 CA TRP A 52 4.738 11.472 -1.663 1.00 0.00 C ATOM 881 C TRP A 52 5.897 11.094 -0.748 1.00 0.00 C ATOM 882 O TRP A 52 6.092 9.922 -0.428 1.00 0.00 O ATOM 883 CB TRP A 52 5.082 11.125 -3.112 1.00 0.00 C ATOM 884 CG TRP A 52 3.890 10.717 -3.924 1.00 0.00 C ATOM 885 CD1 TRP A 52 2.576 10.902 -3.602 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.904 10.052 -5.193 1.00 0.00 C ATOM 887 NE1 TRP A 52 1.772 10.393 -4.593 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.563 9.867 -5.581 1.00 0.00 C ATOM 889 CE3 TRP A 52 4.919 9.598 -6.039 1.00 0.00 C ATOM 890 CZ2 TRP A 52 2.213 9.246 -6.777 1.00 0.00 C ATOM 891 CZ3 TRP A 52 4.570 8.982 -7.226 1.00 0.00 C ATOM 892 CH2 TRP A 52 3.227 8.811 -7.586 1.00 0.00 C ATOM 0 H TRP A 52 4.864 13.482 -2.246 1.00 0.00 H new ATOM 0 HA TRP A 52 3.860 10.902 -1.359 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.555 11.987 -3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.813 10.316 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.221 11.379 -2.700 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.752 10.405 -4.593 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.957 9.726 -5.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.178 9.112 -7.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.346 8.626 -7.887 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.987 8.326 -8.521 1.00 0.00 H new ATOM 903 N PHE A 53 6.665 12.095 -0.330 1.00 0.00 N ATOM 904 CA PHE A 53 7.807 11.867 0.549 1.00 0.00 C ATOM 905 C PHE A 53 7.372 11.178 1.838 1.00 0.00 C ATOM 906 O PHE A 53 8.186 10.578 2.541 1.00 0.00 O ATOM 907 CB PHE A 53 8.499 13.192 0.874 1.00 0.00 C ATOM 908 CG PHE A 53 9.664 13.046 1.811 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.665 12.122 1.554 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.759 13.832 2.948 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.737 11.985 2.415 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.830 13.699 3.812 1.00 0.00 C ATOM 913 CZ PHE A 53 11.820 12.775 3.544 1.00 0.00 C ATOM 0 H PHE A 53 6.518 13.071 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 53 8.510 11.216 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.844 13.650 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.772 13.874 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.606 11.503 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.988 14.557 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.510 11.260 2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.892 14.317 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.658 12.670 4.217 1.00 0.00 H new ATOM 923 N LYS A 54 6.082 11.269 2.145 1.00 0.00 N ATOM 924 CA LYS A 54 5.536 10.654 3.349 1.00 0.00 C ATOM 925 C LYS A 54 5.107 9.216 3.079 1.00 0.00 C ATOM 926 O LYS A 54 4.914 8.431 4.007 1.00 0.00 O ATOM 927 CB LYS A 54 4.345 11.465 3.865 1.00 0.00 C ATOM 928 CG LYS A 54 4.304 11.590 5.378 1.00 0.00 C ATOM 929 CD LYS A 54 2.906 11.349 5.920 1.00 0.00 C ATOM 930 CE LYS A 54 2.148 12.654 6.108 1.00 0.00 C ATOM 931 NZ LYS A 54 2.371 13.235 7.461 1.00 0.00 N ATOM 0 H LYS A 54 5.395 11.763 1.576 1.00 0.00 H new ATOM 0 HA LYS A 54 6.318 10.644 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.379 12.463 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.422 10.997 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.996 10.874 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.642 12.584 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.356 10.703 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.970 10.824 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.463 13.370 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.082 12.480 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.838 14.123 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.047 12.563 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.385 13.425 7.594 1.00 0.00 H new ATOM 945 N ASN A 55 4.960 8.877 1.802 1.00 0.00 N ATOM 946 CA ASN A 55 4.554 7.532 1.410 1.00 0.00 C ATOM 947 C ASN A 55 5.232 6.482 2.286 1.00 0.00 C ATOM 948 O ASN A 55 4.585 5.834 3.109 1.00 0.00 O ATOM 949 CB ASN A 55 4.894 7.282 -0.060 1.00 0.00 C ATOM 950 CG ASN A 55 4.630 5.849 -0.479 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.504 5.488 -0.824 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.669 5.023 -0.451 1.00 0.00 N ATOM 0 H ASN A 55 5.116 9.515 1.021 1.00 0.00 H new ATOM 0 HA ASN A 55 3.475 7.451 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.307 7.954 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.943 7.521 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.552 4.047 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.584 5.365 -0.158 1.00 0.00 H new ATOM 959 N ARG A 56 6.538 6.322 2.104 1.00 0.00 N ATOM 960 CA ARG A 56 7.304 5.351 2.876 1.00 0.00 C ATOM 961 C ARG A 56 7.764 5.952 4.201 1.00 0.00 C ATOM 962 O ARG A 56 7.733 5.289 5.238 1.00 0.00 O ATOM 963 CB ARG A 56 8.515 4.870 2.074 1.00 0.00 C ATOM 964 CG ARG A 56 8.949 3.454 2.416 1.00 0.00 C ATOM 965 CD ARG A 56 10.366 3.423 2.967 1.00 0.00 C ATOM 966 NE ARG A 56 10.576 2.298 3.875 1.00 0.00 N ATOM 967 CZ ARG A 56 10.656 1.035 3.472 1.00 0.00 C ATOM 968 NH1 ARG A 56 10.545 0.737 2.185 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.849 0.066 4.359 1.00 0.00 N ATOM 0 H ARG A 56 7.088 6.852 1.429 1.00 0.00 H new ATOM 0 HA ARG A 56 6.656 4.500 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.280 4.922 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.349 5.549 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.263 3.029 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.890 2.829 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.075 3.359 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.571 4.356 3.492 1.00 0.00 H new ATOM 0 HE ARG A 56 10.666 2.493 4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.398 1.479 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.607 -0.234 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.936 0.292 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.910 -0.904 4.049 1.00 0.00 H new ATOM 983 N ARG A 57 8.189 7.210 4.159 1.00 0.00 N ATOM 984 CA ARG A 57 8.657 7.899 5.355 1.00 0.00 C ATOM 985 C ARG A 57 7.662 7.737 6.500 1.00 0.00 C ATOM 986 O ARG A 57 8.044 7.719 7.670 1.00 0.00 O ATOM 987 CB ARG A 57 8.875 9.385 5.061 1.00 0.00 C ATOM 988 CG ARG A 57 9.238 10.202 6.291 1.00 0.00 C ATOM 989 CD ARG A 57 8.012 10.866 6.899 1.00 0.00 C ATOM 990 NE ARG A 57 8.367 12.018 7.724 1.00 0.00 N ATOM 991 CZ ARG A 57 7.530 12.597 8.577 1.00 0.00 C ATOM 992 NH1 ARG A 57 6.296 12.133 8.718 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.927 13.641 9.293 1.00 0.00 N ATOM 0 H ARG A 57 8.219 7.773 3.309 1.00 0.00 H new ATOM 0 HA ARG A 57 9.605 7.452 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.668 9.488 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.968 9.796 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.709 9.556 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.970 10.964 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.339 11.184 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.469 10.140 7.504 1.00 0.00 H new ATOM 0 HE ARG A 57 9.310 12.399 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.988 11.329 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.655 12.580 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.876 14.000 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.283 14.085 9.948 1.00 0.00 H new ATOM 1007 N ALA A 58 6.384 7.619 6.154 1.00 0.00 N ATOM 1008 CA ALA A 58 5.334 7.457 7.153 1.00 0.00 C ATOM 1009 C ALA A 58 5.116 5.985 7.486 1.00 0.00 C ATOM 1010 O ALA A 58 4.783 5.637 8.619 1.00 0.00 O ATOM 1011 CB ALA A 58 4.039 8.087 6.663 1.00 0.00 C ATOM 0 H ALA A 58 6.051 7.633 5.190 1.00 0.00 H new ATOM 0 HA ALA A 58 5.651 7.965 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.264 7.959 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.197 9.150 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.727 7.604 5.737 1.00 0.00 H new ATOM 1017 N LYS A 59 5.306 5.124 6.492 1.00 0.00 N ATOM 1018 CA LYS A 59 5.130 3.689 6.679 1.00 0.00 C ATOM 1019 C LYS A 59 6.036 3.170 7.791 1.00 0.00 C ATOM 1020 O LYS A 59 5.782 2.113 8.369 1.00 0.00 O ATOM 1021 CB LYS A 59 5.428 2.944 5.375 1.00 0.00 C ATOM 1022 CG LYS A 59 4.192 2.369 4.707 1.00 0.00 C ATOM 1023 CD LYS A 59 3.129 3.433 4.489 1.00 0.00 C ATOM 1024 CE LYS A 59 2.513 3.330 3.102 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.232 2.571 3.120 1.00 0.00 N ATOM 0 H LYS A 59 5.582 5.395 5.548 1.00 0.00 H new ATOM 0 HA LYS A 59 4.094 3.509 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.922 3.625 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.129 2.135 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.467 1.927 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.784 1.567 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.349 3.329 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.570 4.421 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.337 4.331 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.216 2.841 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.696 2.774 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.433 1.552 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.671 2.856 3.948 1.00 0.00 H new ATOM 1039 N TYR A 60 7.091 3.921 8.087 1.00 0.00 N ATOM 1040 CA TYR A 60 8.034 3.537 9.131 1.00 0.00 C ATOM 1041 C TYR A 60 7.306 3.214 10.432 1.00 0.00 C ATOM 1042 O TYR A 60 7.776 2.409 11.236 1.00 0.00 O ATOM 1043 CB TYR A 60 9.050 4.655 9.366 1.00 0.00 C ATOM 1044 CG TYR A 60 8.626 5.645 10.427 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.549 6.498 10.219 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.302 5.728 11.638 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.158 7.405 11.185 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.917 6.631 12.611 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.845 7.467 12.379 1.00 0.00 C ATOM 1050 OH TYR A 60 7.460 8.368 13.345 1.00 0.00 O ATOM 0 H TYR A 60 7.315 4.799 7.619 1.00 0.00 H new ATOM 0 HA TYR A 60 8.559 2.642 8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.004 4.213 9.654 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.215 5.187 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.008 6.451 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.143 5.076 11.822 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.319 8.062 11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.453 6.682 13.548 1.00 0.00 H new ATOM 0 HH TYR A 60 8.047 8.282 14.125 1.00 0.00 H new ATOM 1060 N ARG A 61 6.154 3.847 10.630 1.00 0.00 N ATOM 1061 CA ARG A 61 5.360 3.629 11.833 1.00 0.00 C ATOM 1062 C ARG A 61 4.582 2.319 11.741 1.00 0.00 C ATOM 1063 O ARG A 61 4.389 1.627 12.741 1.00 0.00 O ATOM 1064 CB ARG A 61 4.393 4.794 12.050 1.00 0.00 C ATOM 1065 CG ARG A 61 3.270 4.853 11.027 1.00 0.00 C ATOM 1066 CD ARG A 61 2.883 6.288 10.707 1.00 0.00 C ATOM 1067 NE ARG A 61 2.064 6.882 11.761 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.793 6.558 11.974 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.199 5.651 11.211 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.114 7.142 12.953 1.00 0.00 N ATOM 0 H ARG A 61 5.750 4.515 9.973 1.00 0.00 H new ATOM 0 HA ARG A 61 6.042 3.569 12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.961 4.715 13.047 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.952 5.729 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.582 4.347 10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.401 4.317 11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.785 6.885 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.336 6.314 9.765 1.00 0.00 H new ATOM 0 HE ARG A 61 2.491 7.583 12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.718 5.199 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.777 5.405 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.568 7.840 13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.862 6.893 13.116 1.00 0.00 H new ATOM 1084 N LEU A 62 4.137 1.985 10.534 1.00 0.00 N ATOM 1085 CA LEU A 62 3.380 0.759 10.311 1.00 0.00 C ATOM 1086 C LEU A 62 4.258 -0.470 10.523 1.00 0.00 C ATOM 1087 O LEU A 62 3.929 -1.349 11.319 1.00 0.00 O ATOM 1088 CB LEU A 62 2.798 0.746 8.896 1.00 0.00 C ATOM 1089 CG LEU A 62 1.810 -0.379 8.586 1.00 0.00 C ATOM 1090 CD1 LEU A 62 0.759 0.092 7.593 1.00 0.00 C ATOM 1091 CD2 LEU A 62 2.543 -1.600 8.051 1.00 0.00 C ATOM 0 H LEU A 62 4.288 2.546 9.696 1.00 0.00 H new ATOM 0 HA LEU A 62 2.564 0.729 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.299 1.699 8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.623 0.684 8.186 1.00 0.00 H new ATOM 0 HG LEU A 62 1.306 -0.659 9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.065 -0.722 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.213 0.936 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.245 0.400 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.824 -2.391 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.074 -1.334 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.257 -1.951 8.796 1.00 0.00 H new ATOM 1103 N GLN A 63 5.376 -0.523 9.806 1.00 0.00 N ATOM 1104 CA GLN A 63 6.302 -1.644 9.918 1.00 0.00 C ATOM 1105 C GLN A 63 6.840 -1.766 11.339 1.00 0.00 C ATOM 1106 O GLN A 63 7.326 -2.823 11.740 1.00 0.00 O ATOM 1107 CB GLN A 63 7.461 -1.475 8.934 1.00 0.00 C ATOM 1108 CG GLN A 63 8.158 -0.128 9.040 1.00 0.00 C ATOM 1109 CD GLN A 63 9.591 -0.173 8.548 1.00 0.00 C ATOM 1110 OE1 GLN A 63 9.859 0.033 7.364 1.00 0.00 O ATOM 1111 NE2 GLN A 63 10.521 -0.442 9.456 1.00 0.00 N ATOM 0 H GLN A 63 5.662 0.196 9.142 1.00 0.00 H new ATOM 0 HA GLN A 63 5.759 -2.557 9.676 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.190 -2.267 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.086 -1.602 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.602 0.611 8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.144 0.203 10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.254 -0.606 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.503 -0.484 9.183 1.00 0.00 H new ATOM 1120 N GLU A 64 6.749 -0.678 12.097 1.00 0.00 N ATOM 1121 CA GLU A 64 7.228 -0.664 13.474 1.00 0.00 C ATOM 1122 C GLU A 64 6.648 -1.834 14.264 1.00 0.00 C ATOM 1123 O GLU A 64 7.280 -2.351 15.185 1.00 0.00 O ATOM 1124 CB GLU A 64 6.859 0.657 14.153 1.00 0.00 C ATOM 1125 CG GLU A 64 7.852 1.092 15.218 1.00 0.00 C ATOM 1126 CD GLU A 64 7.699 0.314 16.511 1.00 0.00 C ATOM 1127 OE1 GLU A 64 6.615 0.392 17.126 1.00 0.00 O ATOM 1128 OE2 GLU A 64 8.663 -0.373 16.907 1.00 0.00 O ATOM 0 H GLU A 64 6.348 0.205 11.781 1.00 0.00 H new ATOM 0 HA GLU A 64 8.313 -0.763 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.786 1.437 13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.872 0.560 14.606 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.866 0.963 14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.720 2.155 15.420 1.00 0.00 H new ATOM 1135 N LYS A 65 5.439 -2.246 13.897 1.00 0.00 N ATOM 1136 CA LYS A 65 4.772 -3.355 14.568 1.00 0.00 C ATOM 1137 C LYS A 65 4.514 -4.503 13.598 1.00 0.00 C ATOM 1138 O LYS A 65 4.492 -5.668 13.994 1.00 0.00 O ATOM 1139 CB LYS A 65 3.451 -2.885 15.182 1.00 0.00 C ATOM 1140 CG LYS A 65 2.555 -2.144 14.204 1.00 0.00 C ATOM 1141 CD LYS A 65 2.835 -0.651 14.213 1.00 0.00 C ATOM 1142 CE LYS A 65 1.586 0.152 13.881 1.00 0.00 C ATOM 1143 NZ LYS A 65 0.950 -0.310 12.616 1.00 0.00 N ATOM 0 H LYS A 65 4.901 -1.828 13.138 1.00 0.00 H new ATOM 0 HA LYS A 65 5.428 -3.714 15.361 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.913 -3.749 15.571 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.665 -2.235 16.030 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.708 -2.538 13.199 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.510 -2.321 14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.209 -0.356 15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.619 -0.422 13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.871 0.067 14.699 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.845 1.207 13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.647 0.514 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.635 -0.867 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.123 -0.900 12.839 1.00 0.00 H new ATOM 1157 N GLN A 66 4.321 -4.165 12.327 1.00 0.00 N ATOM 1158 CA GLN A 66 4.065 -5.169 11.301 1.00 0.00 C ATOM 1159 C GLN A 66 5.314 -6.003 11.033 1.00 0.00 C ATOM 1160 O GLN A 66 5.296 -7.228 11.163 1.00 0.00 O ATOM 1161 CB GLN A 66 3.597 -4.500 10.008 1.00 0.00 C ATOM 1162 CG GLN A 66 2.087 -4.364 9.905 1.00 0.00 C ATOM 1163 CD GLN A 66 1.371 -5.693 10.044 1.00 0.00 C ATOM 1164 OE1 GLN A 66 1.651 -6.643 9.312 1.00 0.00 O ATOM 1165 NE2 GLN A 66 0.439 -5.768 10.988 1.00 0.00 N ATOM 0 H GLN A 66 4.337 -3.205 11.983 1.00 0.00 H new ATOM 0 HA GLN A 66 3.279 -5.831 11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.048 -3.510 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.960 -5.078 9.158 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.734 -3.683 10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.831 -3.916 8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.239 -4.956 11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.076 -6.637 11.128 1.00 0.00 H new ATOM 1174 N LYS A 67 6.398 -5.333 10.657 1.00 0.00 N ATOM 1175 CA LYS A 67 7.656 -6.011 10.371 1.00 0.00 C ATOM 1176 C LYS A 67 8.317 -6.497 11.657 1.00 0.00 C ATOM 1177 O LYS A 67 8.034 -6.009 12.751 1.00 0.00 O ATOM 1178 CB LYS A 67 8.605 -5.073 9.620 1.00 0.00 C ATOM 1179 CG LYS A 67 8.346 -5.016 8.125 1.00 0.00 C ATOM 1180 CD LYS A 67 8.662 -6.341 7.452 1.00 0.00 C ATOM 1181 CE LYS A 67 8.486 -6.257 5.944 1.00 0.00 C ATOM 1182 NZ LYS A 67 8.554 -7.599 5.302 1.00 0.00 N ATOM 0 H LYS A 67 6.430 -4.320 10.543 1.00 0.00 H new ATOM 0 HA LYS A 67 7.439 -6.877 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.514 -4.069 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.632 -5.396 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.303 -4.756 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.953 -4.227 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.686 -6.633 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.011 -7.118 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.526 -5.793 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.259 -5.614 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.430 -7.499 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.479 -8.031 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.801 -8.205 5.684 1.00 0.00 H new ATOM 1196 N PRO A 68 9.221 -7.479 11.524 1.00 0.00 N ATOM 1197 CA PRO A 68 9.942 -8.051 12.665 1.00 0.00 C ATOM 1198 C PRO A 68 10.948 -7.074 13.264 1.00 0.00 C ATOM 1199 O PRO A 68 10.569 -6.088 13.897 1.00 0.00 O ATOM 1200 CB PRO A 68 10.663 -9.258 12.060 1.00 0.00 C ATOM 1201 CG PRO A 68 10.817 -8.923 10.617 1.00 0.00 C ATOM 1202 CD PRO A 68 9.608 -8.108 10.250 1.00 0.00 C ATOM 0 HA PRO A 68 9.271 -8.306 13.485 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.631 -9.420 12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.085 -10.173 12.195 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.734 -8.361 10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.877 -9.827 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.841 -7.363 9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.809 -8.732 9.851 1.00 0.00 H new TER 1210 PRO A 68