USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -36:sc= 0.282 USER MOD Set 1.2: A 94 SER OG : rot 96:sc= 0.117 USER MOD Set 2.1: A 41 TYR OH : rot -8:sc= 1.32 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.12 K(o=3.7,f=-6!) USER MOD Set 2.3: A 85 SER OG : rot -74:sc= 1.29 USER MOD Set 3.1: A 34 SER OG : rot -125:sc= 1.27 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.643 USER MOD Single : A 1 THR N :NH3+ 175:sc=-0.00331 (180deg=-0.0424) USER MOD Single : A 1 THR OG1 : rot -45:sc= 0.199 USER MOD Single : A 7 THR OG1 : rot -36:sc= 0.494 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.0319 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 43 SER OG : rot 170:sc= -0.0203 USER MOD Single : A 45 SER OG : rot 79:sc= 1.23 USER MOD Single : A 46 SER OG : rot -161:sc= 0.206 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.485 K(o=-0.48,f=-1.1) USER MOD Single : A 60 SER OG : rot -26:sc= 0.155 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 68 SER OG : rot -47:sc= 1.1 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00641 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00655 USER MOD Single : A 81 ASN : amide:sc= 1.06 K(o=1.1,f=-0.073) USER MOD Single : A 84 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 86 GLN : amide:sc= 1.1 K(o=1.1,f=-0.13) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 49:sc= 0.0151 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 98 THR OG1 : rot -100:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.685 -5.762 -0.179 1.00 0.00 N ATOM 2 CA THR A 1 -16.749 -7.230 -0.274 1.00 0.00 C ATOM 3 C THR A 1 -16.292 -7.728 -1.659 1.00 0.00 C ATOM 4 O THR A 1 -16.887 -8.651 -2.232 1.00 0.00 O ATOM 5 CB THR A 1 -18.134 -7.720 0.222 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.233 -9.131 0.293 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.350 -7.186 -0.548 1.00 0.00 C ATOM 0 H1 THR A 1 -17.078 -5.456 0.734 1.00 0.00 H new ATOM 0 H2 THR A 1 -15.695 -5.452 -0.251 1.00 0.00 H new ATOM 0 H3 THR A 1 -17.237 -5.340 -0.953 1.00 0.00 H new ATOM 0 HA THR A 1 -16.028 -7.697 0.397 1.00 0.00 H new ATOM 0 HB THR A 1 -18.174 -7.289 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 1 -17.860 -9.527 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.263 -7.594 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.372 -6.098 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 1 -19.279 -7.486 -1.593 1.00 0.00 H new ATOM 16 N ALA A 2 -15.219 -7.145 -2.202 1.00 0.00 N ATOM 17 CA ALA A 2 -14.424 -7.703 -3.286 1.00 0.00 C ATOM 18 C ALA A 2 -13.048 -7.035 -3.219 1.00 0.00 C ATOM 19 O ALA A 2 -12.980 -5.835 -3.494 1.00 0.00 O ATOM 20 CB ALA A 2 -15.077 -7.424 -4.646 1.00 0.00 C ATOM 0 H ALA A 2 -14.873 -6.240 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.345 -8.785 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.463 -7.851 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.069 -7.875 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.163 -6.348 -4.794 1.00 0.00 H new ATOM 26 N PRO A 3 -11.956 -7.732 -2.864 1.00 0.00 N ATOM 27 CA PRO A 3 -10.638 -7.124 -2.910 1.00 0.00 C ATOM 28 C PRO A 3 -10.203 -6.896 -4.363 1.00 0.00 C ATOM 29 O PRO A 3 -10.887 -7.313 -5.307 1.00 0.00 O ATOM 30 CB PRO A 3 -9.718 -8.106 -2.179 1.00 0.00 C ATOM 31 CG PRO A 3 -10.366 -9.465 -2.425 1.00 0.00 C ATOM 32 CD PRO A 3 -11.859 -9.135 -2.480 1.00 0.00 C ATOM 0 HA PRO A 3 -10.613 -6.142 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.702 -8.070 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.656 -7.879 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.018 -9.914 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.139 -10.170 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.371 -9.772 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.331 -9.306 -1.512 1.00 0.00 H new ATOM 40 N ILE A 4 -9.045 -6.270 -4.562 1.00 0.00 N ATOM 41 CA ILE A 4 -8.427 -6.092 -5.864 1.00 0.00 C ATOM 42 C ILE A 4 -7.224 -7.022 -5.848 1.00 0.00 C ATOM 43 O ILE A 4 -6.325 -6.866 -5.020 1.00 0.00 O ATOM 44 CB ILE A 4 -8.017 -4.626 -6.165 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.156 -3.601 -6.009 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.551 -4.547 -7.630 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.354 -3.113 -4.575 1.00 0.00 C ATOM 0 H ILE A 4 -8.501 -5.864 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.131 -6.328 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.243 -4.374 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.951 -2.743 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.085 -4.048 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.258 -3.524 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.699 -5.211 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.366 -4.850 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.173 -2.394 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.591 -3.960 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.439 -2.636 -4.224 1.00 0.00 H new ATOM 59 N ALA A 5 -7.210 -7.999 -6.751 1.00 0.00 N ATOM 60 CA ALA A 5 -6.054 -8.856 -6.914 1.00 0.00 C ATOM 61 C ALA A 5 -5.156 -8.037 -7.825 1.00 0.00 C ATOM 62 O ALA A 5 -5.510 -7.778 -8.983 1.00 0.00 O ATOM 63 CB ALA A 5 -6.450 -10.185 -7.553 1.00 0.00 C ATOM 0 H ALA A 5 -7.987 -8.211 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.571 -9.126 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.566 -10.812 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.176 -10.692 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.891 -10.001 -8.533 1.00 0.00 H new ATOM 69 N ILE A 6 -4.042 -7.561 -7.286 1.00 0.00 N ATOM 70 CA ILE A 6 -3.149 -6.655 -7.985 1.00 0.00 C ATOM 71 C ILE A 6 -2.011 -7.492 -8.554 1.00 0.00 C ATOM 72 O ILE A 6 -1.670 -8.548 -8.031 1.00 0.00 O ATOM 73 CB ILE A 6 -2.763 -5.456 -7.079 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.441 -5.717 -5.589 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.954 -4.487 -7.069 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.103 -6.395 -5.336 1.00 0.00 C ATOM 0 H ILE A 6 -3.732 -7.796 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.618 -6.161 -8.836 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.831 -5.102 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.457 -4.766 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.232 -6.335 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.719 -3.628 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.156 -4.148 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.834 -4.996 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.964 -6.537 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.086 -7.364 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.299 -5.771 -5.727 1.00 0.00 H new ATOM 88 N THR A 7 -1.383 -7.014 -9.623 1.00 0.00 N ATOM 89 CA THR A 7 -0.378 -7.777 -10.354 1.00 0.00 C ATOM 90 C THR A 7 1.009 -7.665 -9.706 1.00 0.00 C ATOM 91 O THR A 7 2.012 -7.881 -10.385 1.00 0.00 O ATOM 92 CB THR A 7 -0.457 -7.343 -11.838 1.00 0.00 C ATOM 93 OG1 THR A 7 0.395 -8.097 -12.669 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.167 -5.862 -12.088 1.00 0.00 C ATOM 0 H THR A 7 -1.557 -6.085 -10.007 1.00 0.00 H new ATOM 0 HA THR A 7 -0.578 -8.848 -10.311 1.00 0.00 H new ATOM 0 HB THR A 7 -1.500 -7.531 -12.091 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.225 -8.299 -12.189 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.245 -5.651 -13.154 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.889 -5.253 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.840 -5.625 -11.744 1.00 0.00 H new ATOM 102 N CYS A 8 1.087 -7.306 -8.417 1.00 0.00 N ATOM 103 CA CYS A 8 2.305 -7.147 -7.616 1.00 0.00 C ATOM 104 C CYS A 8 3.387 -6.251 -8.250 1.00 0.00 C ATOM 105 O CYS A 8 4.505 -6.147 -7.759 1.00 0.00 O ATOM 106 CB CYS A 8 2.810 -8.541 -7.245 1.00 0.00 C ATOM 107 SG CYS A 8 1.678 -9.465 -6.172 1.00 0.00 S ATOM 0 H CYS A 8 0.247 -7.107 -7.873 1.00 0.00 H new ATOM 0 HA CYS A 8 2.050 -6.592 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.978 -9.112 -8.158 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.774 -8.447 -6.746 1.00 0.00 H new ATOM 112 N PHE A 9 3.029 -5.501 -9.284 1.00 0.00 N ATOM 113 CA PHE A 9 3.870 -4.509 -9.937 1.00 0.00 C ATOM 114 C PHE A 9 3.180 -3.135 -9.832 1.00 0.00 C ATOM 115 O PHE A 9 3.749 -2.093 -10.149 1.00 0.00 O ATOM 116 CB PHE A 9 4.072 -4.994 -11.376 1.00 0.00 C ATOM 117 CG PHE A 9 5.287 -4.422 -12.060 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.546 -4.969 -11.749 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.169 -3.432 -13.052 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.690 -4.537 -12.434 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.315 -3.007 -13.744 1.00 0.00 C ATOM 122 CZ PHE A 9 7.572 -3.563 -13.436 1.00 0.00 C ATOM 0 H PHE A 9 2.104 -5.571 -9.708 1.00 0.00 H new ATOM 0 HA PHE A 9 4.850 -4.392 -9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.150 -6.081 -11.373 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.188 -4.740 -11.960 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.631 -5.723 -10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.205 -3.002 -13.280 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.657 -4.952 -12.191 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.232 -2.253 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.450 -3.237 -13.974 1.00 0.00 H new ATOM 132 N THR A 10 1.939 -3.157 -9.349 1.00 0.00 N ATOM 133 CA THR A 10 1.008 -2.090 -9.084 1.00 0.00 C ATOM 134 C THR A 10 1.564 -1.125 -8.038 1.00 0.00 C ATOM 135 O THR A 10 2.084 -1.542 -7.000 1.00 0.00 O ATOM 136 CB THR A 10 -0.259 -2.806 -8.582 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.638 -3.797 -9.527 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.460 -1.902 -8.345 1.00 0.00 C ATOM 0 H THR A 10 1.518 -4.054 -9.105 1.00 0.00 H new ATOM 0 HA THR A 10 0.809 -1.479 -9.964 1.00 0.00 H new ATOM 0 HB THR A 10 0.011 -3.226 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.580 -4.032 -9.395 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.301 -2.499 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.209 -1.152 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.732 -1.406 -9.277 1.00 0.00 H new ATOM 146 N ARG A 11 1.409 0.170 -8.301 1.00 0.00 N ATOM 147 CA ARG A 11 1.742 1.263 -7.400 1.00 0.00 C ATOM 148 C ARG A 11 0.453 1.827 -6.811 1.00 0.00 C ATOM 149 O ARG A 11 -0.638 1.528 -7.305 1.00 0.00 O ATOM 150 CB ARG A 11 2.512 2.330 -8.200 1.00 0.00 C ATOM 151 CG ARG A 11 3.847 1.779 -8.725 1.00 0.00 C ATOM 152 CD ARG A 11 4.623 2.798 -9.568 1.00 0.00 C ATOM 153 NE ARG A 11 4.099 2.857 -10.945 1.00 0.00 N ATOM 154 CZ ARG A 11 4.750 2.543 -12.070 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.068 2.386 -12.086 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.060 2.382 -13.190 1.00 0.00 N ATOM 0 H ARG A 11 1.030 0.498 -9.190 1.00 0.00 H new ATOM 0 HA ARG A 11 2.370 0.922 -6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.902 2.670 -9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.698 3.198 -7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.463 1.469 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.656 0.889 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.554 3.783 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.679 2.529 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 11 3.135 3.172 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.606 2.505 -11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.543 2.146 -12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.047 2.498 -13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.542 2.142 -14.056 1.00 0.00 H new ATOM 170 N GLY A 12 0.559 2.697 -5.810 1.00 0.00 N ATOM 171 CA GLY A 12 -0.588 3.410 -5.249 1.00 0.00 C ATOM 172 C GLY A 12 -1.268 4.328 -6.274 1.00 0.00 C ATOM 173 O GLY A 12 -2.364 4.822 -6.018 1.00 0.00 O ATOM 0 H GLY A 12 1.446 2.929 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.314 2.687 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.261 4.003 -4.395 1.00 0.00 H new ATOM 177 N LEU A 13 -0.657 4.524 -7.448 1.00 0.00 N ATOM 178 CA LEU A 13 -1.212 5.272 -8.570 1.00 0.00 C ATOM 179 C LEU A 13 -2.397 4.514 -9.164 1.00 0.00 C ATOM 180 O LEU A 13 -3.310 5.150 -9.690 1.00 0.00 O ATOM 181 CB LEU A 13 -0.143 5.441 -9.660 1.00 0.00 C ATOM 182 CG LEU A 13 1.038 6.331 -9.233 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.288 5.930 -10.013 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.749 7.821 -9.432 1.00 0.00 C ATOM 0 H LEU A 13 0.271 4.150 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.538 6.249 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.236 4.458 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.607 5.869 -10.549 1.00 0.00 H new ATOM 0 HG LEU A 13 1.198 6.177 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.124 6.561 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.527 4.887 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.107 6.056 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.613 8.405 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.546 8.015 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.119 8.106 -8.837 1.00 0.00 H new ATOM 196 N ASP A 14 -2.410 3.180 -9.094 1.00 0.00 N ATOM 197 CA ASP A 14 -3.569 2.401 -9.515 1.00 0.00 C ATOM 198 C ASP A 14 -4.710 2.635 -8.536 1.00 0.00 C ATOM 199 O ASP A 14 -5.737 3.214 -8.889 1.00 0.00 O ATOM 200 CB ASP A 14 -3.322 0.883 -9.542 1.00 0.00 C ATOM 201 CG ASP A 14 -2.620 0.323 -10.769 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.389 0.493 -10.914 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.280 -0.441 -11.515 1.00 0.00 O ATOM 0 H ASP A 14 -1.630 2.621 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.796 2.732 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.733 0.619 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.284 0.381 -9.443 1.00 0.00 H new ATOM 208 N ILE A 15 -4.530 2.188 -7.293 1.00 0.00 N ATOM 209 CA ILE A 15 -5.567 2.200 -6.278 1.00 0.00 C ATOM 210 C ILE A 15 -5.493 3.509 -5.499 1.00 0.00 C ATOM 211 O ILE A 15 -4.819 3.621 -4.479 1.00 0.00 O ATOM 212 CB ILE A 15 -5.477 0.892 -5.452 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.684 -0.301 -6.422 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.523 0.815 -4.324 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.630 -1.678 -5.771 1.00 0.00 C ATOM 0 H ILE A 15 -3.644 1.803 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.572 2.193 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.498 0.864 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.650 -0.186 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.922 -0.253 -7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.407 -0.124 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.379 1.649 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.524 0.866 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.785 -2.445 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.656 -1.822 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.410 -1.753 -5.014 1.00 0.00 H new ATOM 227 N ARG A 16 -6.287 4.477 -5.961 1.00 0.00 N ATOM 228 CA ARG A 16 -6.501 5.778 -5.324 1.00 0.00 C ATOM 229 C ARG A 16 -7.887 5.790 -4.674 1.00 0.00 C ATOM 230 O ARG A 16 -8.524 6.832 -4.564 1.00 0.00 O ATOM 231 CB ARG A 16 -6.332 6.921 -6.342 1.00 0.00 C ATOM 232 CG ARG A 16 -5.026 6.832 -7.143 1.00 0.00 C ATOM 233 CD ARG A 16 -4.809 8.092 -7.984 1.00 0.00 C ATOM 234 NE ARG A 16 -3.827 7.844 -9.048 1.00 0.00 N ATOM 235 CZ ARG A 16 -3.216 8.755 -9.807 1.00 0.00 C ATOM 236 NH1 ARG A 16 -3.399 10.052 -9.590 1.00 0.00 N ATOM 237 NH2 ARG A 16 -2.433 8.355 -10.800 1.00 0.00 N ATOM 0 H ARG A 16 -6.820 4.372 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.751 5.938 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.175 6.911 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.363 7.875 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.186 6.697 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.053 5.957 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.755 8.410 -8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.464 8.906 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.586 6.869 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.012 10.361 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.926 10.739 -10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.303 7.359 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.961 9.043 -11.386 1.00 0.00 H new ATOM 251 N LYS A 17 -8.399 4.614 -4.313 1.00 0.00 N ATOM 252 CA LYS A 17 -9.708 4.423 -3.695 1.00 0.00 C ATOM 253 C LYS A 17 -9.594 4.907 -2.250 1.00 0.00 C ATOM 254 O LYS A 17 -8.482 4.866 -1.726 1.00 0.00 O ATOM 255 CB LYS A 17 -10.051 2.924 -3.753 1.00 0.00 C ATOM 256 CG LYS A 17 -10.029 2.387 -5.200 1.00 0.00 C ATOM 257 CD LYS A 17 -10.512 0.937 -5.329 1.00 0.00 C ATOM 258 CE LYS A 17 -10.110 0.366 -6.702 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.131 -0.532 -7.282 1.00 0.00 N ATOM 0 H LYS A 17 -7.895 3.738 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.496 4.977 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.339 2.364 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.037 2.760 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.654 3.025 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.013 2.458 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.081 0.330 -4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.595 0.894 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.927 1.190 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.172 -0.179 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.801 -0.883 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.290 -1.336 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.021 -0.010 -7.408 1.00 0.00 H new ATOM 273 N GLU A 18 -10.704 5.290 -1.594 1.00 0.00 N ATOM 274 CA GLU A 18 -10.687 5.795 -0.208 1.00 0.00 C ATOM 275 C GLU A 18 -9.811 4.870 0.634 1.00 0.00 C ATOM 276 O GLU A 18 -8.819 5.293 1.222 1.00 0.00 O ATOM 277 CB GLU A 18 -12.100 5.911 0.388 1.00 0.00 C ATOM 278 CG GLU A 18 -12.061 6.520 1.804 1.00 0.00 C ATOM 279 CD GLU A 18 -13.373 6.325 2.562 1.00 0.00 C ATOM 280 OE1 GLU A 18 -14.367 7.024 2.258 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.432 5.478 3.486 1.00 0.00 O ATOM 0 H GLU A 18 -11.636 5.259 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.275 6.804 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.721 6.530 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.563 4.925 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.248 6.065 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.842 7.585 1.732 1.00 0.00 H new ATOM 288 N LYS A 19 -10.168 3.592 0.636 1.00 0.00 N ATOM 289 CA LYS A 19 -9.435 2.497 1.234 1.00 0.00 C ATOM 290 C LYS A 19 -9.922 1.261 0.505 1.00 0.00 C ATOM 291 O LYS A 19 -11.075 1.235 0.059 1.00 0.00 O ATOM 292 CB LYS A 19 -9.531 2.471 2.771 1.00 0.00 C ATOM 293 CG LYS A 19 -10.916 2.573 3.422 1.00 0.00 C ATOM 294 CD LYS A 19 -11.644 1.234 3.541 1.00 0.00 C ATOM 295 CE LYS A 19 -13.065 1.524 4.031 1.00 0.00 C ATOM 296 NZ LYS A 19 -14.001 0.442 3.684 1.00 0.00 N ATOM 0 H LYS A 19 -11.031 3.279 0.191 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.356 2.589 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.071 1.545 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.924 3.291 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.808 3.007 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.531 3.259 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.667 0.724 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.125 0.576 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.054 1.661 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.415 2.460 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.951 0.679 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.032 0.328 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.682 -0.446 4.121 1.00 0.00 H new ATOM 310 N ALA A 20 -9.055 0.277 0.313 1.00 0.00 N ATOM 311 CA ALA A 20 -9.361 -0.888 -0.483 1.00 0.00 C ATOM 312 C ALA A 20 -8.513 -2.069 -0.056 1.00 0.00 C ATOM 313 O ALA A 20 -7.345 -1.918 0.303 1.00 0.00 O ATOM 314 CB ALA A 20 -9.127 -0.575 -1.957 1.00 0.00 C ATOM 0 H ALA A 20 -8.116 0.271 0.710 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.408 -1.151 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.358 -1.455 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.771 0.250 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.084 -0.296 -2.109 1.00 0.00 H new ATOM 320 N ASP A 21 -9.102 -3.250 -0.159 1.00 0.00 N ATOM 321 CA ASP A 21 -8.560 -4.518 0.297 1.00 0.00 C ATOM 322 C ASP A 21 -7.848 -5.094 -0.924 1.00 0.00 C ATOM 323 O ASP A 21 -8.449 -5.157 -1.999 1.00 0.00 O ATOM 324 CB ASP A 21 -9.715 -5.460 0.716 1.00 0.00 C ATOM 325 CG ASP A 21 -10.845 -4.798 1.510 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.699 -4.102 0.902 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.884 -4.917 2.754 1.00 0.00 O ATOM 0 H ASP A 21 -10.022 -3.354 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.897 -4.403 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.139 -5.909 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.301 -6.272 1.314 1.00 0.00 H new ATOM 332 N VAL A 22 -6.563 -5.440 -0.819 1.00 0.00 N ATOM 333 CA VAL A 22 -5.782 -5.883 -1.974 1.00 0.00 C ATOM 334 C VAL A 22 -5.034 -7.181 -1.664 1.00 0.00 C ATOM 335 O VAL A 22 -4.519 -7.370 -0.560 1.00 0.00 O ATOM 336 CB VAL A 22 -4.868 -4.741 -2.484 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.662 -3.460 -2.779 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.750 -4.338 -1.512 1.00 0.00 C ATOM 0 H VAL A 22 -6.041 -5.421 0.057 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.458 -6.120 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.424 -5.162 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.983 -2.685 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.411 -3.664 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.156 -3.120 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.160 -3.533 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.189 -3.998 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.107 -5.197 -1.321 1.00 0.00 H new ATOM 348 N LEU A 23 -4.922 -8.064 -2.657 1.00 0.00 N ATOM 349 CA LEU A 23 -4.225 -9.350 -2.585 1.00 0.00 C ATOM 350 C LEU A 23 -3.105 -9.350 -3.614 1.00 0.00 C ATOM 351 O LEU A 23 -3.308 -8.883 -4.738 1.00 0.00 O ATOM 352 CB LEU A 23 -5.175 -10.539 -2.845 1.00 0.00 C ATOM 353 CG LEU A 23 -6.048 -11.055 -1.681 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.219 -11.964 -0.768 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.725 -9.975 -0.836 1.00 0.00 C ATOM 0 H LEU A 23 -5.333 -7.895 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.825 -9.472 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.842 -10.258 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.571 -11.374 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.859 -11.601 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.842 -12.324 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.847 -12.813 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.377 -11.403 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.313 -10.445 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.966 -9.333 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.380 -9.376 -1.468 1.00 0.00 H new ATOM 367 N CYS A 24 -1.954 -9.907 -3.234 1.00 0.00 N ATOM 368 CA CYS A 24 -0.744 -9.927 -4.046 1.00 0.00 C ATOM 369 C CYS A 24 -0.318 -11.390 -4.260 1.00 0.00 C ATOM 370 O CYS A 24 0.266 -11.964 -3.336 1.00 0.00 O ATOM 371 CB CYS A 24 0.354 -9.101 -3.356 1.00 0.00 C ATOM 372 SG CYS A 24 1.720 -8.489 -4.382 1.00 0.00 S ATOM 0 H CYS A 24 -1.838 -10.367 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.925 -9.477 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.121 -8.242 -2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.780 -9.710 -2.558 1.00 0.00 H new ATOM 377 N PRO A 25 -0.627 -12.012 -5.415 1.00 0.00 N ATOM 378 CA PRO A 25 -0.211 -13.371 -5.761 1.00 0.00 C ATOM 379 C PRO A 25 1.296 -13.439 -6.079 1.00 0.00 C ATOM 380 O PRO A 25 2.037 -12.479 -5.874 1.00 0.00 O ATOM 381 CB PRO A 25 -1.094 -13.741 -6.965 1.00 0.00 C ATOM 382 CG PRO A 25 -1.255 -12.403 -7.683 1.00 0.00 C ATOM 383 CD PRO A 25 -1.367 -11.423 -6.521 1.00 0.00 C ATOM 0 HA PRO A 25 -0.341 -14.075 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.620 -14.488 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.054 -14.152 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.401 -12.179 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.142 -12.386 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.954 -10.451 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.410 -11.261 -6.248 1.00 0.00 H new ATOM 391 N GLY A 26 1.768 -14.572 -6.603 1.00 0.00 N ATOM 392 CA GLY A 26 3.157 -14.736 -7.002 1.00 0.00 C ATOM 393 C GLY A 26 4.052 -14.776 -5.778 1.00 0.00 C ATOM 394 O GLY A 26 3.708 -15.423 -4.786 1.00 0.00 O ATOM 0 H GLY A 26 1.193 -15.399 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.272 -15.656 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.455 -13.914 -7.653 1.00 0.00 H new ATOM 398 N GLY A 27 5.211 -14.130 -5.866 1.00 0.00 N ATOM 399 CA GLY A 27 6.142 -13.961 -4.755 1.00 0.00 C ATOM 400 C GLY A 27 6.558 -12.504 -4.560 1.00 0.00 C ATOM 401 O GLY A 27 7.024 -12.147 -3.481 1.00 0.00 O ATOM 0 H GLY A 27 5.536 -13.700 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.681 -14.330 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.029 -14.569 -4.932 1.00 0.00 H new ATOM 405 N CYS A 28 6.296 -11.641 -5.550 1.00 0.00 N ATOM 406 CA CYS A 28 6.727 -10.251 -5.617 1.00 0.00 C ATOM 407 C CYS A 28 8.179 -10.106 -5.126 1.00 0.00 C ATOM 408 O CYS A 28 8.410 -9.557 -4.050 1.00 0.00 O ATOM 409 CB CYS A 28 5.735 -9.325 -4.890 1.00 0.00 C ATOM 410 SG CYS A 28 5.888 -7.601 -5.437 1.00 0.00 S ATOM 0 H CYS A 28 5.748 -11.915 -6.366 1.00 0.00 H new ATOM 0 HA CYS A 28 6.723 -9.929 -6.658 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.717 -9.673 -5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.908 -9.381 -3.815 1.00 0.00 H new ATOM 415 N PRO A 29 9.169 -10.600 -5.889 1.00 0.00 N ATOM 416 CA PRO A 29 10.572 -10.526 -5.509 1.00 0.00 C ATOM 417 C PRO A 29 11.047 -9.074 -5.566 1.00 0.00 C ATOM 418 O PRO A 29 10.364 -8.217 -6.132 1.00 0.00 O ATOM 419 CB PRO A 29 11.308 -11.410 -6.520 1.00 0.00 C ATOM 420 CG PRO A 29 10.446 -11.305 -7.776 1.00 0.00 C ATOM 421 CD PRO A 29 9.028 -11.126 -7.234 1.00 0.00 C ATOM 0 HA PRO A 29 10.755 -10.868 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.323 -11.056 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.386 -12.440 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.746 -10.461 -8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.528 -12.200 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.456 -10.442 -7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.492 -12.075 -7.226 1.00 0.00 H new ATOM 429 N LEU A 30 12.235 -8.794 -5.021 1.00 0.00 N ATOM 430 CA LEU A 30 12.857 -7.470 -5.070 1.00 0.00 C ATOM 431 C LEU A 30 13.400 -7.205 -6.485 1.00 0.00 C ATOM 432 O LEU A 30 14.600 -7.065 -6.697 1.00 0.00 O ATOM 433 CB LEU A 30 13.955 -7.341 -3.992 1.00 0.00 C ATOM 434 CG LEU A 30 13.478 -7.498 -2.533 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.673 -7.390 -1.581 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.430 -6.451 -2.135 1.00 0.00 C ATOM 0 H LEU A 30 12.797 -9.489 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 30 12.108 -6.709 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.721 -8.091 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.430 -6.365 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 30 13.011 -8.480 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.330 -7.502 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.393 -8.175 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.147 -6.416 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.132 -6.610 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.855 -5.453 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.558 -6.545 -2.782 1.00 0.00 H new ATOM 448 N GLU A 31 12.491 -7.150 -7.455 1.00 0.00 N ATOM 449 CA GLU A 31 12.713 -6.799 -8.847 1.00 0.00 C ATOM 450 C GLU A 31 12.553 -5.283 -8.960 1.00 0.00 C ATOM 451 O GLU A 31 13.460 -4.586 -9.404 1.00 0.00 O ATOM 452 CB GLU A 31 11.682 -7.567 -9.692 1.00 0.00 C ATOM 453 CG GLU A 31 11.807 -7.314 -11.199 1.00 0.00 C ATOM 454 CD GLU A 31 10.654 -7.956 -11.976 1.00 0.00 C ATOM 455 OE1 GLU A 31 10.331 -9.149 -11.755 1.00 0.00 O ATOM 456 OE2 GLU A 31 10.045 -7.269 -12.830 1.00 0.00 O ATOM 0 H GLU A 31 11.511 -7.366 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 31 13.707 -7.068 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.793 -8.635 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.680 -7.288 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.821 -6.241 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.755 -7.713 -11.558 1.00 0.00 H new ATOM 463 N GLU A 32 11.406 -4.762 -8.511 1.00 0.00 N ATOM 464 CA GLU A 32 11.147 -3.337 -8.428 1.00 0.00 C ATOM 465 C GLU A 32 10.339 -3.006 -7.179 1.00 0.00 C ATOM 466 O GLU A 32 9.108 -3.120 -7.192 1.00 0.00 O ATOM 467 CB GLU A 32 10.409 -2.771 -9.660 1.00 0.00 C ATOM 468 CG GLU A 32 11.290 -2.463 -10.881 1.00 0.00 C ATOM 469 CD GLU A 32 10.606 -1.498 -11.865 1.00 0.00 C ATOM 470 OE1 GLU A 32 9.888 -0.551 -11.451 1.00 0.00 O ATOM 471 OE2 GLU A 32 10.784 -1.634 -13.095 1.00 0.00 O ATOM 0 H GLU A 32 10.625 -5.335 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 32 12.129 -2.866 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.641 -3.484 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.896 -1.856 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.233 -2.030 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.532 -3.393 -11.396 1.00 0.00 H new ATOM 478 N PHE A 33 11.007 -2.693 -6.066 1.00 0.00 N ATOM 479 CA PHE A 33 10.324 -2.213 -4.881 1.00 0.00 C ATOM 480 C PHE A 33 10.887 -0.807 -4.792 1.00 0.00 C ATOM 481 O PHE A 33 12.081 -0.630 -4.560 1.00 0.00 O ATOM 482 CB PHE A 33 10.632 -3.021 -3.613 1.00 0.00 C ATOM 483 CG PHE A 33 9.865 -4.313 -3.400 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.575 -5.206 -4.447 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.407 -4.608 -2.102 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.815 -6.357 -4.190 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.657 -5.764 -1.844 1.00 0.00 C ATOM 488 CZ PHE A 33 8.359 -6.642 -2.894 1.00 0.00 C ATOM 0 H PHE A 33 12.020 -2.766 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 33 9.239 -2.285 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.696 -3.258 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.451 -2.377 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.936 -5.007 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 9.637 -3.933 -1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.578 -7.032 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.311 -5.976 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.781 -7.535 -2.707 1.00 0.00 H new ATOM 498 N SER A 34 10.040 0.192 -4.999 1.00 0.00 N ATOM 499 CA SER A 34 10.395 1.580 -4.822 1.00 0.00 C ATOM 500 C SER A 34 9.323 2.112 -3.884 1.00 0.00 C ATOM 501 O SER A 34 8.141 1.766 -4.008 1.00 0.00 O ATOM 502 CB SER A 34 10.487 2.267 -6.191 1.00 0.00 C ATOM 503 OG SER A 34 11.273 3.442 -6.133 1.00 0.00 O ATOM 0 H SER A 34 9.075 0.052 -5.299 1.00 0.00 H new ATOM 0 HA SER A 34 11.377 1.761 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.917 1.577 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.485 2.516 -6.542 1.00 0.00 H new ATOM 0 HG SER A 34 10.753 4.200 -6.472 1.00 0.00 H new ATOM 509 N VAL A 35 9.739 2.888 -2.897 1.00 0.00 N ATOM 510 CA VAL A 35 8.878 3.383 -1.843 1.00 0.00 C ATOM 511 C VAL A 35 9.263 4.842 -1.651 1.00 0.00 C ATOM 512 O VAL A 35 10.405 5.226 -1.917 1.00 0.00 O ATOM 513 CB VAL A 35 9.066 2.497 -0.591 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.081 2.861 0.516 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.813 1.016 -0.902 1.00 0.00 C ATOM 0 H VAL A 35 10.707 3.197 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 35 7.813 3.335 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 35 10.095 2.666 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.247 2.215 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.230 3.901 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.061 2.728 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.955 0.425 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.792 0.889 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.512 0.680 -1.668 1.00 0.00 H new ATOM 525 N TYR A 36 8.328 5.681 -1.228 1.00 0.00 N ATOM 526 CA TYR A 36 8.580 7.102 -1.134 1.00 0.00 C ATOM 527 C TYR A 36 7.878 7.610 0.115 1.00 0.00 C ATOM 528 O TYR A 36 6.658 7.774 0.109 1.00 0.00 O ATOM 529 CB TYR A 36 8.154 7.804 -2.421 1.00 0.00 C ATOM 530 CG TYR A 36 8.791 7.309 -3.706 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.290 6.156 -4.339 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.870 8.011 -4.277 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.879 5.679 -5.519 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.453 7.552 -5.472 1.00 0.00 C ATOM 535 CZ TYR A 36 9.965 6.379 -6.089 1.00 0.00 C ATOM 536 OH TYR A 36 10.552 5.907 -7.220 1.00 0.00 O ATOM 0 H TYR A 36 7.390 5.397 -0.946 1.00 0.00 H new ATOM 0 HA TYR A 36 9.643 7.321 -1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.072 7.710 -2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.374 8.867 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.446 5.635 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.250 8.901 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.504 4.782 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.273 8.096 -5.917 1.00 0.00 H new ATOM 0 HH TYR A 36 11.283 6.504 -7.483 1.00 0.00 H new ATOM 546 N GLY A 37 8.662 7.823 1.173 1.00 0.00 N ATOM 547 CA GLY A 37 8.199 8.174 2.506 1.00 0.00 C ATOM 548 C GLY A 37 7.778 6.898 3.241 1.00 0.00 C ATOM 549 O GLY A 37 7.397 5.914 2.609 1.00 0.00 O ATOM 0 H GLY A 37 9.678 7.751 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.990 8.682 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.359 8.866 2.443 1.00 0.00 H new ATOM 553 N ASN A 38 7.927 6.867 4.567 1.00 0.00 N ATOM 554 CA ASN A 38 7.449 5.775 5.417 1.00 0.00 C ATOM 555 C ASN A 38 6.083 6.190 5.982 1.00 0.00 C ATOM 556 O ASN A 38 5.895 7.373 6.285 1.00 0.00 O ATOM 557 CB ASN A 38 8.443 5.445 6.541 1.00 0.00 C ATOM 558 CG ASN A 38 8.340 6.372 7.744 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.718 7.544 7.708 1.00 0.00 O ATOM 560 ND2 ASN A 38 7.805 5.857 8.832 1.00 0.00 N ATOM 0 H ASN A 38 8.390 7.611 5.088 1.00 0.00 H new ATOM 0 HA ASN A 38 7.354 4.864 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.278 4.419 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.457 5.493 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.697 6.431 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.499 4.884 8.838 1.00 0.00 H new ATOM 567 N ILE A 39 5.172 5.237 6.222 1.00 0.00 N ATOM 568 CA ILE A 39 3.770 5.430 6.634 1.00 0.00 C ATOM 569 C ILE A 39 3.007 6.199 5.551 1.00 0.00 C ATOM 570 O ILE A 39 2.039 5.652 5.022 1.00 0.00 O ATOM 571 CB ILE A 39 3.616 5.951 8.089 1.00 0.00 C ATOM 572 CG1 ILE A 39 3.754 4.798 9.107 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.302 6.713 8.349 1.00 0.00 C ATOM 574 CD1 ILE A 39 2.558 3.834 9.191 1.00 0.00 C ATOM 0 H ILE A 39 5.406 4.249 6.129 1.00 0.00 H new ATOM 0 HA ILE A 39 3.283 4.457 6.702 1.00 0.00 H new ATOM 0 HB ILE A 39 4.426 6.668 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.645 4.222 8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.920 5.228 10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.272 7.043 9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.248 7.580 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.455 6.055 8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.762 3.065 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.664 4.388 9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.399 3.366 8.220 1.00 0.00 H new ATOM 586 N VAL A 40 3.365 7.452 5.269 1.00 0.00 N ATOM 587 CA VAL A 40 2.818 8.226 4.172 1.00 0.00 C ATOM 588 C VAL A 40 3.657 7.769 2.987 1.00 0.00 C ATOM 589 O VAL A 40 4.759 8.268 2.760 1.00 0.00 O ATOM 590 CB VAL A 40 2.910 9.744 4.425 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.593 10.558 3.160 1.00 0.00 C ATOM 592 CG2 VAL A 40 1.883 10.158 5.484 1.00 0.00 C ATOM 0 H VAL A 40 4.060 7.962 5.814 1.00 0.00 H new ATOM 0 HA VAL A 40 1.751 8.064 4.018 1.00 0.00 H new ATOM 0 HB VAL A 40 3.931 9.946 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.670 11.622 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.303 10.300 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.581 10.330 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.953 11.232 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.880 9.912 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.084 9.626 6.414 1.00 0.00 H new ATOM 602 N TYR A 41 3.137 6.782 2.277 1.00 0.00 N ATOM 603 CA TYR A 41 3.691 6.275 1.047 1.00 0.00 C ATOM 604 C TYR A 41 3.106 7.156 -0.046 1.00 0.00 C ATOM 605 O TYR A 41 1.889 7.180 -0.231 1.00 0.00 O ATOM 606 CB TYR A 41 3.296 4.795 0.921 1.00 0.00 C ATOM 607 CG TYR A 41 3.928 3.950 2.015 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.323 3.833 2.038 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.172 3.380 3.058 1.00 0.00 C ATOM 610 CE1 TYR A 41 5.973 3.170 3.087 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.816 2.713 4.123 1.00 0.00 C ATOM 612 CZ TYR A 41 5.228 2.609 4.140 1.00 0.00 C ATOM 613 OH TYR A 41 5.885 2.055 5.197 1.00 0.00 O ATOM 0 H TYR A 41 2.284 6.298 2.558 1.00 0.00 H new ATOM 0 HA TYR A 41 4.779 6.309 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.211 4.702 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.604 4.418 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.906 4.260 1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.095 3.453 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.050 3.089 3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.232 2.283 4.923 1.00 0.00 H new ATOM 0 HH TYR A 41 6.845 2.023 5.005 1.00 0.00 H new ATOM 623 N ALA A 42 3.920 7.950 -0.743 1.00 0.00 N ATOM 624 CA ALA A 42 3.401 8.707 -1.877 1.00 0.00 C ATOM 625 C ALA A 42 2.909 7.723 -2.941 1.00 0.00 C ATOM 626 O ALA A 42 3.423 6.604 -3.033 1.00 0.00 O ATOM 627 CB ALA A 42 4.459 9.639 -2.445 1.00 0.00 C ATOM 0 H ALA A 42 4.913 8.083 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 42 2.571 9.331 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.043 10.190 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.777 10.341 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.316 9.055 -2.780 1.00 0.00 H new ATOM 633 N SER A 43 1.979 8.172 -3.786 1.00 0.00 N ATOM 634 CA SER A 43 1.275 7.381 -4.793 1.00 0.00 C ATOM 635 C SER A 43 2.202 6.469 -5.612 1.00 0.00 C ATOM 636 O SER A 43 1.872 5.315 -5.875 1.00 0.00 O ATOM 637 CB SER A 43 0.510 8.369 -5.685 1.00 0.00 C ATOM 638 OG SER A 43 -0.550 7.765 -6.375 1.00 0.00 O ATOM 0 H SER A 43 1.682 9.148 -3.785 1.00 0.00 H new ATOM 0 HA SER A 43 0.591 6.692 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.122 9.182 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.199 8.813 -6.403 1.00 0.00 H new ATOM 0 HG SER A 43 -1.101 8.456 -6.798 1.00 0.00 H new ATOM 644 N VAL A 44 3.372 6.972 -6.003 1.00 0.00 N ATOM 645 CA VAL A 44 4.358 6.284 -6.832 1.00 0.00 C ATOM 646 C VAL A 44 4.971 5.030 -6.167 1.00 0.00 C ATOM 647 O VAL A 44 5.579 4.210 -6.857 1.00 0.00 O ATOM 648 CB VAL A 44 5.369 7.353 -7.315 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.974 8.181 -6.166 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.470 6.805 -8.226 1.00 0.00 C ATOM 0 H VAL A 44 3.671 7.911 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 44 3.882 5.838 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 44 4.764 8.025 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.674 8.911 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.177 8.700 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.500 7.519 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.136 7.616 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.039 6.044 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.020 6.364 -9.116 1.00 0.00 H new ATOM 660 N SER A 45 4.801 4.837 -4.857 1.00 0.00 N ATOM 661 CA SER A 45 5.294 3.656 -4.160 1.00 0.00 C ATOM 662 C SER A 45 4.576 2.388 -4.636 1.00 0.00 C ATOM 663 O SER A 45 3.354 2.395 -4.820 1.00 0.00 O ATOM 664 CB SER A 45 5.076 3.812 -2.648 1.00 0.00 C ATOM 665 OG SER A 45 5.539 5.063 -2.167 1.00 0.00 O ATOM 0 H SER A 45 4.316 5.499 -4.252 1.00 0.00 H new ATOM 0 HA SER A 45 6.357 3.561 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.015 3.708 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.593 3.009 -2.123 1.00 0.00 H new ATOM 0 HG SER A 45 4.882 5.759 -2.379 1.00 0.00 H new ATOM 671 N SER A 46 5.330 1.301 -4.812 1.00 0.00 N ATOM 672 CA SER A 46 4.796 -0.019 -5.123 1.00 0.00 C ATOM 673 C SER A 46 3.891 -0.447 -3.967 1.00 0.00 C ATOM 674 O SER A 46 4.171 -0.120 -2.810 1.00 0.00 O ATOM 675 CB SER A 46 5.965 -1.000 -5.307 1.00 0.00 C ATOM 676 OG SER A 46 5.526 -2.347 -5.357 1.00 0.00 O ATOM 0 H SER A 46 6.347 1.318 -4.740 1.00 0.00 H new ATOM 0 HA SER A 46 4.215 -0.006 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.499 -0.759 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.672 -0.879 -4.486 1.00 0.00 H new ATOM 0 HG SER A 46 6.281 -2.944 -5.172 1.00 0.00 H new ATOM 682 N ILE A 47 2.828 -1.201 -4.255 1.00 0.00 N ATOM 683 CA ILE A 47 1.984 -1.771 -3.213 1.00 0.00 C ATOM 684 C ILE A 47 2.820 -2.808 -2.453 1.00 0.00 C ATOM 685 O ILE A 47 2.804 -2.779 -1.224 1.00 0.00 O ATOM 686 CB ILE A 47 0.658 -2.328 -3.791 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.194 -1.147 -4.320 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.133 -3.127 -2.733 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.573 -1.542 -4.862 1.00 0.00 C ATOM 0 H ILE A 47 2.534 -1.429 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 47 1.664 -1.004 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 47 0.893 -3.014 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.329 -0.425 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.361 -0.642 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.056 -3.502 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.469 -3.966 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.372 -2.478 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.096 -0.651 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.452 -2.238 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.152 -2.018 -4.071 1.00 0.00 H new ATOM 701 N CYS A 48 3.586 -3.674 -3.140 1.00 0.00 N ATOM 702 CA CYS A 48 4.488 -4.599 -2.451 1.00 0.00 C ATOM 703 C CYS A 48 5.508 -3.808 -1.645 1.00 0.00 C ATOM 704 O CYS A 48 5.720 -4.109 -0.473 1.00 0.00 O ATOM 705 CB CYS A 48 5.279 -5.503 -3.399 1.00 0.00 C ATOM 706 SG CYS A 48 4.381 -6.535 -4.559 1.00 0.00 S ATOM 0 H CYS A 48 3.596 -3.749 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 48 3.851 -5.225 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.953 -4.868 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.901 -6.157 -2.789 1.00 0.00 H new ATOM 711 N GLY A 49 6.120 -2.805 -2.285 1.00 0.00 N ATOM 712 CA GLY A 49 7.097 -1.918 -1.681 1.00 0.00 C ATOM 713 C GLY A 49 6.589 -1.406 -0.345 1.00 0.00 C ATOM 714 O GLY A 49 7.155 -1.735 0.692 1.00 0.00 O ATOM 0 H GLY A 49 5.938 -2.589 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.040 -2.446 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.297 -1.079 -2.347 1.00 0.00 H new ATOM 718 N ALA A 50 5.509 -0.627 -0.371 1.00 0.00 N ATOM 719 CA ALA A 50 4.909 -0.033 0.809 1.00 0.00 C ATOM 720 C ALA A 50 4.521 -1.098 1.836 1.00 0.00 C ATOM 721 O ALA A 50 4.760 -0.896 3.022 1.00 0.00 O ATOM 722 CB ALA A 50 3.691 0.792 0.387 1.00 0.00 C ATOM 0 H ALA A 50 5.021 -0.390 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 50 5.640 0.618 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.234 1.242 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.004 1.577 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.967 0.145 -0.107 1.00 0.00 H new ATOM 728 N ALA A 51 3.907 -2.209 1.413 1.00 0.00 N ATOM 729 CA ALA A 51 3.393 -3.227 2.321 1.00 0.00 C ATOM 730 C ALA A 51 4.523 -3.896 3.098 1.00 0.00 C ATOM 731 O ALA A 51 4.489 -3.934 4.329 1.00 0.00 O ATOM 732 CB ALA A 51 2.568 -4.256 1.542 1.00 0.00 C ATOM 0 H ALA A 51 3.755 -2.423 0.427 1.00 0.00 H new ATOM 0 HA ALA A 51 2.743 -2.744 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.188 -5.013 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.731 -3.757 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.197 -4.732 0.789 1.00 0.00 H new ATOM 738 N VAL A 52 5.503 -4.454 2.393 1.00 0.00 N ATOM 739 CA VAL A 52 6.630 -5.131 3.017 1.00 0.00 C ATOM 740 C VAL A 52 7.481 -4.114 3.795 1.00 0.00 C ATOM 741 O VAL A 52 7.936 -4.431 4.891 1.00 0.00 O ATOM 742 CB VAL A 52 7.399 -5.954 1.962 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.501 -6.817 2.594 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.480 -6.916 1.181 1.00 0.00 C ATOM 0 H VAL A 52 5.536 -4.448 1.374 1.00 0.00 H new ATOM 0 HA VAL A 52 6.291 -5.856 3.757 1.00 0.00 H new ATOM 0 HB VAL A 52 7.828 -5.210 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.015 -7.379 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.215 -6.175 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.056 -7.511 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.070 -7.471 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.010 -7.614 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.709 -6.344 0.664 1.00 0.00 H new ATOM 754 N HIS A 53 7.632 -2.873 3.312 1.00 0.00 N ATOM 755 CA HIS A 53 8.324 -1.803 4.038 1.00 0.00 C ATOM 756 C HIS A 53 7.626 -1.494 5.361 1.00 0.00 C ATOM 757 O HIS A 53 8.268 -1.399 6.402 1.00 0.00 O ATOM 758 CB HIS A 53 8.390 -0.543 3.168 1.00 0.00 C ATOM 759 CG HIS A 53 9.172 0.579 3.789 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.654 1.663 4.505 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.521 0.699 3.694 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.729 2.409 4.820 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.859 1.858 4.344 1.00 0.00 N ATOM 0 H HIS A 53 7.275 -2.583 2.402 1.00 0.00 H new ATOM 0 HA HIS A 53 9.336 -2.140 4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.838 -0.798 2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.376 -0.199 2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.196 0.015 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.689 3.330 5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.801 2.235 4.448 1.00 0.00 H new ATOM 771 N ARG A 54 6.298 -1.352 5.348 1.00 0.00 N ATOM 772 CA ARG A 54 5.485 -1.153 6.547 1.00 0.00 C ATOM 773 C ARG A 54 5.582 -2.353 7.492 1.00 0.00 C ATOM 774 O ARG A 54 5.385 -2.164 8.695 1.00 0.00 O ATOM 775 CB ARG A 54 4.038 -0.868 6.094 1.00 0.00 C ATOM 776 CG ARG A 54 2.966 -0.855 7.194 1.00 0.00 C ATOM 777 CD ARG A 54 3.129 0.326 8.154 1.00 0.00 C ATOM 778 NE ARG A 54 2.175 0.255 9.271 1.00 0.00 N ATOM 779 CZ ARG A 54 2.319 -0.484 10.377 1.00 0.00 C ATOM 780 NH1 ARG A 54 3.333 -1.327 10.529 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.429 -0.371 11.349 1.00 0.00 N ATOM 0 H ARG A 54 5.750 -1.373 4.488 1.00 0.00 H new ATOM 0 HA ARG A 54 5.853 -0.303 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.022 0.099 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.758 -1.618 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.978 -0.813 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.016 -1.787 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.146 0.339 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.984 1.260 7.610 1.00 0.00 H new ATOM 0 HE ARG A 54 1.329 0.819 9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.030 -1.425 9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.415 -1.877 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.645 0.274 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.527 -0.929 12.197 1.00 0.00 H new ATOM 795 N GLY A 55 5.866 -3.552 6.978 1.00 0.00 N ATOM 796 CA GLY A 55 5.944 -4.793 7.737 1.00 0.00 C ATOM 797 C GLY A 55 4.642 -5.597 7.696 1.00 0.00 C ATOM 798 O GLY A 55 4.443 -6.489 8.525 1.00 0.00 O ATOM 0 H GLY A 55 6.054 -3.685 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.756 -5.404 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.192 -4.565 8.774 1.00 0.00 H new ATOM 802 N VAL A 56 3.729 -5.286 6.772 1.00 0.00 N ATOM 803 CA VAL A 56 2.426 -5.936 6.651 1.00 0.00 C ATOM 804 C VAL A 56 2.610 -7.428 6.336 1.00 0.00 C ATOM 805 O VAL A 56 2.020 -8.297 6.980 1.00 0.00 O ATOM 806 CB VAL A 56 1.588 -5.222 5.566 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.176 -5.792 5.484 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.429 -3.720 5.844 1.00 0.00 C ATOM 0 H VAL A 56 3.881 -4.559 6.073 1.00 0.00 H new ATOM 0 HA VAL A 56 1.888 -5.862 7.596 1.00 0.00 H new ATOM 0 HB VAL A 56 2.134 -5.382 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.384 -5.266 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.226 -6.853 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.324 -5.665 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.833 -3.265 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.930 -3.578 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.412 -3.249 5.874 1.00 0.00 H new ATOM 818 N ILE A 57 3.434 -7.728 5.341 1.00 0.00 N ATOM 819 CA ILE A 57 3.669 -9.053 4.786 1.00 0.00 C ATOM 820 C ILE A 57 5.163 -9.163 4.499 1.00 0.00 C ATOM 821 O ILE A 57 5.852 -8.146 4.409 1.00 0.00 O ATOM 822 CB ILE A 57 2.824 -9.249 3.498 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.837 -7.993 2.591 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.373 -9.622 3.856 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.539 -8.289 1.116 1.00 0.00 C ATOM 0 H ILE A 57 3.988 -7.011 4.873 1.00 0.00 H new ATOM 0 HA ILE A 57 3.368 -9.834 5.484 1.00 0.00 H new ATOM 0 HB ILE A 57 3.281 -10.065 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.102 -7.280 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.813 -7.513 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.795 -9.755 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.366 -10.550 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.929 -8.825 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.566 -7.360 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.288 -8.977 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.551 -8.740 1.028 1.00 0.00 H new ATOM 837 N SER A 58 5.659 -10.387 4.354 1.00 0.00 N ATOM 838 CA SER A 58 7.032 -10.655 3.952 1.00 0.00 C ATOM 839 C SER A 58 7.161 -10.440 2.441 1.00 0.00 C ATOM 840 O SER A 58 6.161 -10.211 1.747 1.00 0.00 O ATOM 841 CB SER A 58 7.390 -12.103 4.311 1.00 0.00 C ATOM 842 OG SER A 58 6.952 -12.428 5.621 1.00 0.00 O ATOM 0 H SER A 58 5.110 -11.231 4.515 1.00 0.00 H new ATOM 0 HA SER A 58 7.713 -9.981 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.933 -12.783 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.469 -12.242 4.240 1.00 0.00 H new ATOM 0 HG SER A 58 7.191 -13.356 5.825 1.00 0.00 H new ATOM 848 N ASN A 59 8.380 -10.554 1.904 1.00 0.00 N ATOM 849 CA ASN A 59 8.604 -10.507 0.463 1.00 0.00 C ATOM 850 C ASN A 59 8.147 -11.864 -0.108 1.00 0.00 C ATOM 851 O ASN A 59 8.951 -12.728 -0.445 1.00 0.00 O ATOM 852 CB ASN A 59 10.101 -10.229 0.220 1.00 0.00 C ATOM 853 CG ASN A 59 10.444 -10.188 -1.258 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.043 -11.114 -1.800 1.00 0.00 O ATOM 855 ND2 ASN A 59 10.089 -9.106 -1.921 1.00 0.00 N ATOM 0 H ASN A 59 9.230 -10.680 2.454 1.00 0.00 H new ATOM 0 HA ASN A 59 8.041 -9.716 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.372 -9.279 0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.696 -11.001 0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.311 -9.020 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.593 -8.354 -1.442 1.00 0.00 H new ATOM 862 N SER A 60 6.831 -12.066 -0.151 1.00 0.00 N ATOM 863 CA SER A 60 6.117 -13.193 -0.738 1.00 0.00 C ATOM 864 C SER A 60 4.763 -12.774 -1.325 1.00 0.00 C ATOM 865 O SER A 60 4.157 -13.559 -2.056 1.00 0.00 O ATOM 866 CB SER A 60 5.936 -14.292 0.320 1.00 0.00 C ATOM 867 OG SER A 60 5.459 -15.490 -0.266 1.00 0.00 O ATOM 0 H SER A 60 6.187 -11.389 0.258 1.00 0.00 H new ATOM 0 HA SER A 60 6.713 -13.579 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.887 -14.481 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.236 -13.954 1.084 1.00 0.00 H new ATOM 0 HG SER A 60 4.964 -15.279 -1.085 1.00 0.00 H new ATOM 873 N GLY A 61 4.261 -11.577 -0.999 1.00 0.00 N ATOM 874 CA GLY A 61 2.926 -11.153 -1.389 1.00 0.00 C ATOM 875 C GLY A 61 1.915 -11.776 -0.416 1.00 0.00 C ATOM 876 O GLY A 61 2.169 -12.820 0.194 1.00 0.00 O ATOM 0 H GLY A 61 4.774 -10.881 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.852 -10.066 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.712 -11.467 -2.411 1.00 0.00 H new ATOM 880 N GLY A 62 0.758 -11.144 -0.242 1.00 0.00 N ATOM 881 CA GLY A 62 -0.228 -11.562 0.740 1.00 0.00 C ATOM 882 C GLY A 62 -1.397 -10.587 0.782 1.00 0.00 C ATOM 883 O GLY A 62 -1.456 -9.685 -0.060 1.00 0.00 O ATOM 0 H GLY A 62 0.480 -10.325 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.590 -12.561 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.236 -11.623 1.724 1.00 0.00 H new ATOM 887 N PRO A 63 -2.342 -10.769 1.716 1.00 0.00 N ATOM 888 CA PRO A 63 -3.468 -9.866 1.909 1.00 0.00 C ATOM 889 C PRO A 63 -3.018 -8.584 2.617 1.00 0.00 C ATOM 890 O PRO A 63 -2.288 -8.636 3.611 1.00 0.00 O ATOM 891 CB PRO A 63 -4.454 -10.652 2.775 1.00 0.00 C ATOM 892 CG PRO A 63 -3.561 -11.585 3.593 1.00 0.00 C ATOM 893 CD PRO A 63 -2.400 -11.885 2.649 1.00 0.00 C ATOM 0 HA PRO A 63 -3.913 -9.553 0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.036 -9.991 3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.164 -11.211 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.218 -11.109 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.088 -12.494 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.464 -11.982 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.559 -12.826 2.122 1.00 0.00 H new ATOM 901 N VAL A 64 -3.468 -7.433 2.129 1.00 0.00 N ATOM 902 CA VAL A 64 -3.071 -6.102 2.577 1.00 0.00 C ATOM 903 C VAL A 64 -4.294 -5.182 2.408 1.00 0.00 C ATOM 904 O VAL A 64 -5.244 -5.528 1.701 1.00 0.00 O ATOM 905 CB VAL A 64 -1.871 -5.656 1.698 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.364 -4.251 1.977 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.651 -6.595 1.770 1.00 0.00 C ATOM 0 H VAL A 64 -4.153 -7.401 1.374 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.759 -6.073 3.621 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.312 -5.691 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.526 -4.029 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.165 -3.533 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.036 -4.182 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.142 -6.211 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.292 -6.647 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.939 -7.592 1.435 1.00 0.00 H new ATOM 917 N ARG A 65 -4.296 -3.994 3.018 1.00 0.00 N ATOM 918 CA ARG A 65 -5.339 -2.991 2.815 1.00 0.00 C ATOM 919 C ARG A 65 -4.673 -1.636 2.616 1.00 0.00 C ATOM 920 O ARG A 65 -3.910 -1.176 3.464 1.00 0.00 O ATOM 921 CB ARG A 65 -6.365 -3.007 3.959 1.00 0.00 C ATOM 922 CG ARG A 65 -7.581 -2.136 3.590 1.00 0.00 C ATOM 923 CD ARG A 65 -8.696 -2.174 4.633 1.00 0.00 C ATOM 924 NE ARG A 65 -9.412 -3.459 4.630 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.423 -4.378 5.597 1.00 0.00 C ATOM 926 NH1 ARG A 65 -8.817 -4.153 6.754 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.036 -5.530 5.377 1.00 0.00 N ATOM 0 H ARG A 65 -3.568 -3.701 3.670 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.915 -3.221 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.686 -4.030 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.906 -2.635 4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.253 -1.105 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.979 -2.469 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.273 -1.997 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.401 -1.366 4.439 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.961 -3.671 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.335 -3.269 6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.833 -4.864 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.490 -5.703 4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.055 -6.245 6.104 1.00 0.00 H new ATOM 941 N VAL A 66 -4.902 -1.027 1.459 1.00 0.00 N ATOM 942 CA VAL A 66 -4.450 0.325 1.144 1.00 0.00 C ATOM 943 C VAL A 66 -5.500 1.304 1.682 1.00 0.00 C ATOM 944 O VAL A 66 -6.693 1.009 1.638 1.00 0.00 O ATOM 945 CB VAL A 66 -4.278 0.446 -0.389 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.921 1.866 -0.858 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.177 -0.503 -0.898 1.00 0.00 C ATOM 0 H VAL A 66 -5.418 -1.467 0.697 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.489 0.553 1.605 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.251 0.179 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.816 1.875 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.712 2.556 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.981 2.175 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.077 -0.398 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.230 -0.252 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.444 -1.532 -0.657 1.00 0.00 H new ATOM 957 N TYR A 67 -5.072 2.480 2.137 1.00 0.00 N ATOM 958 CA TYR A 67 -5.903 3.597 2.569 1.00 0.00 C ATOM 959 C TYR A 67 -5.309 4.834 1.903 1.00 0.00 C ATOM 960 O TYR A 67 -4.150 5.160 2.159 1.00 0.00 O ATOM 961 CB TYR A 67 -5.900 3.743 4.098 1.00 0.00 C ATOM 962 CG TYR A 67 -6.608 2.650 4.883 1.00 0.00 C ATOM 963 CD1 TYR A 67 -5.992 1.400 5.074 1.00 0.00 C ATOM 964 CD2 TYR A 67 -7.854 2.905 5.492 1.00 0.00 C ATOM 965 CE1 TYR A 67 -6.623 0.416 5.852 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.480 1.930 6.288 1.00 0.00 C ATOM 967 CZ TYR A 67 -7.854 0.682 6.485 1.00 0.00 C ATOM 968 OH TYR A 67 -8.419 -0.267 7.276 1.00 0.00 O ATOM 0 H TYR A 67 -4.077 2.689 2.218 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.944 3.446 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.864 3.789 4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.360 4.698 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.033 1.197 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.333 3.862 5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.161 -0.553 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.436 2.136 6.747 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.264 0.071 7.640 1.00 0.00 H new ATOM 978 N SER A 68 -6.044 5.488 1.003 1.00 0.00 N ATOM 979 CA SER A 68 -5.584 6.720 0.371 1.00 0.00 C ATOM 980 C SER A 68 -5.300 7.776 1.437 1.00 0.00 C ATOM 981 O SER A 68 -5.915 7.792 2.511 1.00 0.00 O ATOM 982 CB SER A 68 -6.604 7.237 -0.647 1.00 0.00 C ATOM 983 OG SER A 68 -7.861 7.477 -0.043 1.00 0.00 O ATOM 0 H SER A 68 -6.967 5.180 0.695 1.00 0.00 H new ATOM 0 HA SER A 68 -4.662 6.506 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.234 8.157 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.718 6.510 -1.451 1.00 0.00 H new ATOM 0 HG SER A 68 -8.105 6.713 0.520 1.00 0.00 H new ATOM 989 N LEU A 69 -4.365 8.671 1.140 1.00 0.00 N ATOM 990 CA LEU A 69 -3.960 9.743 2.026 1.00 0.00 C ATOM 991 C LEU A 69 -3.839 11.014 1.177 1.00 0.00 C ATOM 992 O LEU A 69 -3.456 10.921 0.004 1.00 0.00 O ATOM 993 CB LEU A 69 -2.693 9.285 2.766 1.00 0.00 C ATOM 994 CG LEU A 69 -2.355 10.069 4.043 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.708 9.115 5.052 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.410 11.241 3.768 1.00 0.00 C ATOM 0 H LEU A 69 -3.859 8.667 0.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.676 9.983 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.805 8.232 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.847 9.356 2.082 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.281 10.484 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.463 9.661 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.402 8.308 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.797 8.696 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.200 11.765 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.478 10.866 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.878 11.928 3.063 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.221 12.191 1.696 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.180 13.421 0.920 1.00 0.00 C ATOM 1010 C PRO A 70 -2.778 13.819 0.440 1.00 0.00 C ATOM 1011 O PRO A 70 -1.765 13.158 0.708 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.774 14.501 1.828 1.00 0.00 C ATOM 1013 CG PRO A 70 -5.625 13.736 2.833 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.880 12.418 2.977 1.00 0.00 C ATOM 0 HA PRO A 70 -4.744 13.286 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.992 15.074 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.375 15.210 1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.699 14.264 3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.642 13.587 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.153 12.467 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.566 11.605 3.213 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.728 14.919 -0.312 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.483 15.526 -0.740 1.00 0.00 C ATOM 1024 C GLY A 71 -0.623 15.850 0.478 1.00 0.00 C ATOM 1025 O GLY A 71 -1.147 16.312 1.500 1.00 0.00 O ATOM 0 H GLY A 71 -3.559 15.411 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.947 14.849 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.686 16.435 -1.306 1.00 0.00 H new ATOM 1029 N ARG A 72 0.681 15.577 0.396 1.00 0.00 N ATOM 1030 CA ARG A 72 1.608 15.714 1.514 1.00 0.00 C ATOM 1031 C ARG A 72 2.936 16.270 1.020 1.00 0.00 C ATOM 1032 O ARG A 72 3.204 16.317 -0.181 1.00 0.00 O ATOM 1033 CB ARG A 72 1.776 14.347 2.219 1.00 0.00 C ATOM 1034 CG ARG A 72 0.628 13.960 3.166 1.00 0.00 C ATOM 1035 CD ARG A 72 0.816 14.462 4.605 1.00 0.00 C ATOM 1036 NE ARG A 72 1.071 15.912 4.672 1.00 0.00 N ATOM 1037 CZ ARG A 72 2.094 16.494 5.312 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.761 15.845 6.258 1.00 0.00 N ATOM 1039 NH2 ARG A 72 2.476 17.720 4.975 1.00 0.00 N ATOM 0 H ARG A 72 1.126 15.250 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 72 1.210 16.418 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.877 13.573 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.707 14.359 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.306 14.359 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.531 12.874 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.075 14.227 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.648 13.929 5.066 1.00 0.00 H new ATOM 0 HE ARG A 72 0.413 16.524 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.497 14.891 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.538 16.300 6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.991 18.218 4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.255 18.163 5.462 1.00 0.00 H new ATOM 1053 N GLU A 73 3.763 16.711 1.961 1.00 0.00 N ATOM 1054 CA GLU A 73 5.082 17.259 1.721 1.00 0.00 C ATOM 1055 C GLU A 73 5.970 16.976 2.938 1.00 0.00 C ATOM 1056 O GLU A 73 5.488 16.531 3.987 1.00 0.00 O ATOM 1057 CB GLU A 73 4.982 18.765 1.418 1.00 0.00 C ATOM 1058 CG GLU A 73 4.387 19.592 2.569 1.00 0.00 C ATOM 1059 CD GLU A 73 2.931 19.983 2.336 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.010 19.233 2.741 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.717 21.102 1.810 1.00 0.00 O ATOM 0 H GLU A 73 3.518 16.693 2.951 1.00 0.00 H new ATOM 0 HA GLU A 73 5.535 16.785 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.976 19.146 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.370 18.907 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.460 19.020 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.982 20.495 2.705 1.00 0.00 H new ATOM 1068 N ASN A 74 7.255 17.309 2.811 1.00 0.00 N ATOM 1069 CA ASN A 74 8.298 17.197 3.828 1.00 0.00 C ATOM 1070 C ASN A 74 8.344 15.770 4.379 1.00 0.00 C ATOM 1071 O ASN A 74 8.189 15.527 5.578 1.00 0.00 O ATOM 1072 CB ASN A 74 8.157 18.286 4.907 1.00 0.00 C ATOM 1073 CG ASN A 74 7.949 19.680 4.329 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.713 20.151 3.486 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.883 20.352 4.717 1.00 0.00 N ATOM 0 H ASN A 74 7.617 17.689 1.937 1.00 0.00 H new ATOM 0 HA ASN A 74 9.270 17.383 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.316 18.039 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.051 18.288 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.686 21.270 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.256 19.954 5.416 1.00 0.00 H new ATOM 1082 N TYR A 75 8.512 14.819 3.465 1.00 0.00 N ATOM 1083 CA TYR A 75 8.654 13.393 3.715 1.00 0.00 C ATOM 1084 C TYR A 75 10.057 13.125 4.289 1.00 0.00 C ATOM 1085 O TYR A 75 10.808 14.050 4.614 1.00 0.00 O ATOM 1086 CB TYR A 75 8.433 12.633 2.394 1.00 0.00 C ATOM 1087 CG TYR A 75 7.109 12.860 1.679 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.925 14.010 0.884 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.110 11.864 1.694 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.751 14.178 0.129 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.946 12.019 0.919 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.750 13.185 0.153 1.00 0.00 C ATOM 1093 OH TYR A 75 3.638 13.328 -0.614 1.00 0.00 O ATOM 0 H TYR A 75 8.555 15.040 2.470 1.00 0.00 H new ATOM 0 HA TYR A 75 7.915 13.048 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.238 12.902 1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.530 11.566 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.693 14.769 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.239 10.981 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.616 15.067 -0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.198 11.240 0.911 1.00 0.00 H new ATOM 0 HH TYR A 75 3.381 14.273 -0.644 1.00 0.00 H new ATOM 1103 N SER A 76 10.449 11.862 4.432 1.00 0.00 N ATOM 1104 CA SER A 76 11.787 11.462 4.849 1.00 0.00 C ATOM 1105 C SER A 76 12.196 10.212 4.058 1.00 0.00 C ATOM 1106 O SER A 76 11.472 9.786 3.153 1.00 0.00 O ATOM 1107 CB SER A 76 11.819 11.279 6.375 1.00 0.00 C ATOM 1108 OG SER A 76 11.267 12.416 7.027 1.00 0.00 O ATOM 0 H SER A 76 9.830 11.071 4.257 1.00 0.00 H new ATOM 0 HA SER A 76 12.525 12.233 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.258 10.386 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.846 11.126 6.707 1.00 0.00 H new ATOM 0 HG SER A 76 11.294 12.282 7.997 1.00 0.00 H new ATOM 1114 N SER A 77 13.374 9.665 4.354 1.00 0.00 N ATOM 1115 CA SER A 77 13.940 8.513 3.673 1.00 0.00 C ATOM 1116 C SER A 77 14.291 7.494 4.755 1.00 0.00 C ATOM 1117 O SER A 77 14.993 7.852 5.701 1.00 0.00 O ATOM 1118 CB SER A 77 15.179 8.944 2.873 1.00 0.00 C ATOM 1119 OG SER A 77 14.917 10.053 2.016 1.00 0.00 O ATOM 0 H SER A 77 13.974 10.025 5.096 1.00 0.00 H new ATOM 0 HA SER A 77 13.240 8.073 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.981 9.204 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.533 8.103 2.276 1.00 0.00 H new ATOM 0 HG SER A 77 15.734 10.291 1.530 1.00 0.00 H new ATOM 1125 N VAL A 78 13.774 6.268 4.660 1.00 0.00 N ATOM 1126 CA VAL A 78 13.919 5.234 5.684 1.00 0.00 C ATOM 1127 C VAL A 78 13.951 3.880 4.972 1.00 0.00 C ATOM 1128 O VAL A 78 13.162 3.679 4.044 1.00 0.00 O ATOM 1129 CB VAL A 78 12.712 5.292 6.664 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.913 4.362 7.870 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.391 6.696 7.210 1.00 0.00 C ATOM 0 H VAL A 78 13.232 5.961 3.852 1.00 0.00 H new ATOM 0 HA VAL A 78 14.834 5.385 6.258 1.00 0.00 H new ATOM 0 HB VAL A 78 11.871 4.968 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.049 4.431 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.023 3.335 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.810 4.659 8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.536 6.638 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.254 7.082 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.155 7.363 6.381 1.00 0.00 H new ATOM 1141 N ASP A 79 14.810 2.948 5.379 1.00 0.00 N ATOM 1142 CA ASP A 79 14.795 1.586 4.839 1.00 0.00 C ATOM 1143 C ASP A 79 14.150 0.714 5.901 1.00 0.00 C ATOM 1144 O ASP A 79 14.307 0.978 7.098 1.00 0.00 O ATOM 1145 CB ASP A 79 16.192 1.029 4.516 1.00 0.00 C ATOM 1146 CG ASP A 79 16.104 -0.369 3.862 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.769 -1.364 4.551 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.318 -0.442 2.635 1.00 0.00 O ATOM 0 H ASP A 79 15.529 3.110 6.084 1.00 0.00 H new ATOM 0 HA ASP A 79 14.252 1.594 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.712 1.714 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.782 0.968 5.431 1.00 0.00 H new ATOM 1153 N ALA A 80 13.343 -0.248 5.474 1.00 0.00 N ATOM 1154 CA ALA A 80 12.773 -1.242 6.349 1.00 0.00 C ATOM 1155 C ALA A 80 12.703 -2.512 5.516 1.00 0.00 C ATOM 1156 O ALA A 80 12.181 -2.497 4.401 1.00 0.00 O ATOM 1157 CB ALA A 80 11.395 -0.811 6.855 1.00 0.00 C ATOM 0 H ALA A 80 13.068 -0.354 4.498 1.00 0.00 H new ATOM 0 HA ALA A 80 13.374 -1.390 7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.991 -1.581 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.486 0.125 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.724 -0.669 6.008 1.00 0.00 H new ATOM 1163 N ASN A 81 13.148 -3.621 6.105 1.00 0.00 N ATOM 1164 CA ASN A 81 13.176 -4.953 5.509 1.00 0.00 C ATOM 1165 C ASN A 81 13.937 -5.029 4.170 1.00 0.00 C ATOM 1166 O ASN A 81 13.691 -5.964 3.410 1.00 0.00 O ATOM 1167 CB ASN A 81 11.749 -5.538 5.429 1.00 0.00 C ATOM 1168 CG ASN A 81 11.047 -5.589 6.781 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.628 -5.964 7.800 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.787 -5.204 6.857 1.00 0.00 N ATOM 0 H ASN A 81 13.516 -3.613 7.056 1.00 0.00 H new ATOM 0 HA ASN A 81 13.762 -5.585 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.155 -4.938 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.798 -6.545 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.303 -5.219 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.298 -4.892 6.018 1.00 0.00 H new ATOM 1177 N GLY A 82 14.883 -4.120 3.889 1.00 0.00 N ATOM 1178 CA GLY A 82 15.707 -4.171 2.679 1.00 0.00 C ATOM 1179 C GLY A 82 14.976 -3.565 1.486 1.00 0.00 C ATOM 1180 O GLY A 82 15.018 -4.099 0.377 1.00 0.00 O ATOM 0 H GLY A 82 15.096 -3.329 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.640 -3.633 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.971 -5.205 2.459 1.00 0.00 H new ATOM 1184 N ILE A 83 14.247 -2.482 1.733 1.00 0.00 N ATOM 1185 CA ILE A 83 13.408 -1.752 0.801 1.00 0.00 C ATOM 1186 C ILE A 83 13.650 -0.307 1.226 1.00 0.00 C ATOM 1187 O ILE A 83 13.348 0.050 2.368 1.00 0.00 O ATOM 1188 CB ILE A 83 11.930 -2.168 0.972 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.695 -3.675 0.733 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.065 -1.332 0.014 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.381 -4.164 1.341 1.00 0.00 C ATOM 0 H ILE A 83 14.229 -2.063 2.663 1.00 0.00 H new ATOM 0 HA ILE A 83 13.632 -1.930 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 83 11.648 -1.978 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.692 -3.874 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.523 -4.241 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.019 -1.617 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.180 -0.274 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.382 -1.512 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.264 -5.230 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.392 -3.992 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.549 -3.619 0.895 1.00 0.00 H new ATOM 1203 N GLN A 84 14.085 0.556 0.311 1.00 0.00 N ATOM 1204 CA GLN A 84 14.472 1.911 0.668 1.00 0.00 C ATOM 1205 C GLN A 84 13.346 2.838 0.247 1.00 0.00 C ATOM 1206 O GLN A 84 12.900 2.804 -0.905 1.00 0.00 O ATOM 1207 CB GLN A 84 15.792 2.258 -0.048 1.00 0.00 C ATOM 1208 CG GLN A 84 16.293 3.700 0.156 1.00 0.00 C ATOM 1209 CD GLN A 84 16.753 3.990 1.584 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.830 3.596 2.004 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.981 4.726 2.368 1.00 0.00 N ATOM 0 H GLN A 84 14.177 0.338 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 84 14.637 2.016 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.564 1.571 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.663 2.083 -1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.120 3.889 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.495 4.394 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.080 5.060 2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.288 4.959 3.313 1.00 0.00 H new ATOM 1220 N SER A 85 12.888 3.670 1.185 1.00 0.00 N ATOM 1221 CA SER A 85 11.915 4.709 0.910 1.00 0.00 C ATOM 1222 C SER A 85 12.689 6.022 0.870 1.00 0.00 C ATOM 1223 O SER A 85 13.665 6.171 1.613 1.00 0.00 O ATOM 1224 CB SER A 85 10.759 4.696 1.923 1.00 0.00 C ATOM 1225 OG SER A 85 11.147 5.099 3.218 1.00 0.00 O ATOM 0 H SER A 85 13.188 3.635 2.159 1.00 0.00 H new ATOM 0 HA SER A 85 11.418 4.551 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.966 5.354 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.340 3.691 1.973 1.00 0.00 H new ATOM 0 HG SER A 85 11.666 4.384 3.642 1.00 0.00 H new ATOM 1231 N GLN A 86 12.288 6.965 0.019 1.00 0.00 N ATOM 1232 CA GLN A 86 12.943 8.262 -0.098 1.00 0.00 C ATOM 1233 C GLN A 86 11.927 9.394 -0.154 1.00 0.00 C ATOM 1234 O GLN A 86 10.787 9.199 -0.574 1.00 0.00 O ATOM 1235 CB GLN A 86 13.953 8.303 -1.264 1.00 0.00 C ATOM 1236 CG GLN A 86 13.545 7.569 -2.557 1.00 0.00 C ATOM 1237 CD GLN A 86 14.002 6.108 -2.532 1.00 0.00 C ATOM 1238 OE1 GLN A 86 15.189 5.824 -2.457 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.092 5.152 -2.564 1.00 0.00 N ATOM 0 H GLN A 86 11.495 6.848 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 86 13.531 8.414 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.146 9.347 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.894 7.879 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.462 7.612 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.981 8.075 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.103 5.392 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.378 4.174 -2.526 1.00 0.00 H new ATOM 1248 N MET A 87 12.346 10.572 0.301 1.00 0.00 N ATOM 1249 CA MET A 87 11.505 11.756 0.345 1.00 0.00 C ATOM 1250 C MET A 87 11.117 12.221 -1.069 1.00 0.00 C ATOM 1251 O MET A 87 11.725 11.812 -2.060 1.00 0.00 O ATOM 1252 CB MET A 87 12.211 12.834 1.187 1.00 0.00 C ATOM 1253 CG MET A 87 13.438 13.473 0.524 1.00 0.00 C ATOM 1254 SD MET A 87 13.064 14.844 -0.605 1.00 0.00 S ATOM 1255 CE MET A 87 14.698 15.080 -1.350 1.00 0.00 C ATOM 0 H MET A 87 13.291 10.729 0.653 1.00 0.00 H new ATOM 0 HA MET A 87 10.556 11.529 0.831 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.492 13.620 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.518 12.391 2.134 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.108 13.835 1.304 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.978 12.703 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.653 15.892 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.420 15.328 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.005 14.162 -1.851 1.00 0.00 H new ATOM 1265 N LEU A 88 10.113 13.099 -1.165 1.00 0.00 N ATOM 1266 CA LEU A 88 9.602 13.646 -2.424 1.00 0.00 C ATOM 1267 C LEU A 88 9.466 15.158 -2.297 1.00 0.00 C ATOM 1268 O LEU A 88 9.757 15.729 -1.244 1.00 0.00 O ATOM 1269 CB LEU A 88 8.236 13.070 -2.823 1.00 0.00 C ATOM 1270 CG LEU A 88 8.103 11.545 -2.674 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.445 11.223 -1.339 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.222 11.003 -3.789 1.00 0.00 C ATOM 0 H LEU A 88 9.621 13.458 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 88 10.317 13.369 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.466 13.547 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.035 13.337 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 88 9.093 11.091 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.350 10.142 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.057 11.616 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.456 11.680 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.127 9.922 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.235 11.462 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.672 11.236 -4.754 1.00 0.00 H new ATOM 1284 N SER A 89 8.925 15.803 -3.329 1.00 0.00 N ATOM 1285 CA SER A 89 8.646 17.224 -3.357 1.00 0.00 C ATOM 1286 C SER A 89 7.150 17.468 -3.597 1.00 0.00 C ATOM 1287 O SER A 89 6.744 17.681 -4.741 1.00 0.00 O ATOM 1288 CB SER A 89 9.584 17.884 -4.382 1.00 0.00 C ATOM 1289 OG SER A 89 9.579 17.206 -5.631 1.00 0.00 O ATOM 0 H SER A 89 8.663 15.329 -4.193 1.00 0.00 H new ATOM 0 HA SER A 89 8.852 17.694 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.283 18.921 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.599 17.901 -3.984 1.00 0.00 H new ATOM 0 HG SER A 89 8.654 17.048 -5.914 1.00 0.00 H new ATOM 1295 N ARG A 90 6.321 17.436 -2.540 1.00 0.00 N ATOM 1296 CA ARG A 90 4.899 17.797 -2.638 1.00 0.00 C ATOM 1297 C ARG A 90 4.107 16.832 -3.524 1.00 0.00 C ATOM 1298 O ARG A 90 3.647 17.203 -4.602 1.00 0.00 O ATOM 1299 CB ARG A 90 4.750 19.303 -2.942 1.00 0.00 C ATOM 1300 CG ARG A 90 3.329 19.842 -3.220 1.00 0.00 C ATOM 1301 CD ARG A 90 3.235 20.550 -4.587 1.00 0.00 C ATOM 1302 NE ARG A 90 3.639 19.668 -5.691 1.00 0.00 N ATOM 1303 CZ ARG A 90 4.233 19.978 -6.842 1.00 0.00 C ATOM 1304 NH1 ARG A 90 4.368 21.244 -7.214 1.00 0.00 N ATOM 1305 NH2 ARG A 90 4.705 19.002 -7.610 1.00 0.00 N ATOM 0 H ARG A 90 6.615 17.162 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 90 4.417 17.661 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.160 19.858 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.371 19.534 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.616 19.018 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.045 20.538 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.212 20.890 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.869 21.437 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 90 3.436 18.678 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.015 21.992 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.825 21.470 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.610 18.030 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.162 19.225 -8.494 1.00 0.00 H new ATOM 1319 N TRP A 91 4.024 15.557 -3.159 1.00 0.00 N ATOM 1320 CA TRP A 91 3.219 14.647 -3.966 1.00 0.00 C ATOM 1321 C TRP A 91 1.777 14.817 -3.506 1.00 0.00 C ATOM 1322 O TRP A 91 1.400 14.461 -2.387 1.00 0.00 O ATOM 1323 CB TRP A 91 3.672 13.191 -3.852 1.00 0.00 C ATOM 1324 CG TRP A 91 3.516 12.419 -5.126 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.376 11.893 -5.626 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.537 12.135 -6.114 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.643 11.227 -6.806 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.975 11.333 -7.147 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.888 12.500 -6.238 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.739 10.891 -8.237 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.683 11.997 -7.276 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.111 11.201 -8.284 1.00 0.00 C ATOM 0 H TRP A 91 4.482 15.143 -2.347 1.00 0.00 H new ATOM 0 HA TRP A 91 3.331 14.893 -5.022 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.718 13.166 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.099 12.700 -3.066 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.401 11.980 -5.170 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.946 10.723 -7.354 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.321 13.181 -5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.280 10.320 -9.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.739 12.221 -7.302 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.723 10.828 -9.092 1.00 0.00 H new ATOM 1343 N SER A 92 0.950 15.386 -4.379 1.00 0.00 N ATOM 1344 CA SER A 92 -0.435 15.713 -4.076 1.00 0.00 C ATOM 1345 C SER A 92 -1.321 14.448 -4.158 1.00 0.00 C ATOM 1346 O SER A 92 -2.455 14.521 -4.627 1.00 0.00 O ATOM 1347 CB SER A 92 -0.897 16.832 -5.027 1.00 0.00 C ATOM 1348 OG SER A 92 0.079 17.863 -5.120 1.00 0.00 O ATOM 0 H SER A 92 1.229 15.635 -5.328 1.00 0.00 H new ATOM 0 HA SER A 92 -0.527 16.080 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.087 16.417 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.839 17.250 -4.671 1.00 0.00 H new ATOM 0 HG SER A 92 -0.239 18.560 -5.731 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.796 13.271 -3.792 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.452 11.975 -3.749 1.00 0.00 C ATOM 1356 C ALA A 93 -0.550 11.048 -2.943 1.00 0.00 C ATOM 1357 O ALA A 93 0.580 10.764 -3.347 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.705 11.406 -5.154 1.00 0.00 C ATOM 0 H ALA A 93 0.178 13.205 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.434 12.072 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.197 10.437 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.343 12.090 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.755 11.287 -5.675 1.00 0.00 H new ATOM 1364 N SER A 94 -1.033 10.594 -1.799 1.00 0.00 N ATOM 1365 CA SER A 94 -0.331 9.645 -0.954 1.00 0.00 C ATOM 1366 C SER A 94 -1.282 8.518 -0.545 1.00 0.00 C ATOM 1367 O SER A 94 -2.439 8.462 -0.969 1.00 0.00 O ATOM 1368 CB SER A 94 0.260 10.384 0.258 1.00 0.00 C ATOM 1369 OG SER A 94 0.851 11.632 -0.077 1.00 0.00 O ATOM 0 H SER A 94 -1.938 10.879 -1.426 1.00 0.00 H new ATOM 0 HA SER A 94 0.496 9.188 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.527 10.549 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.010 9.750 0.731 1.00 0.00 H new ATOM 0 HG SER A 94 0.206 12.352 0.081 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.788 7.583 0.254 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.544 6.513 0.863 1.00 0.00 C ATOM 1377 C PHE A 95 -0.780 6.020 2.081 1.00 0.00 C ATOM 1378 O PHE A 95 0.339 6.452 2.355 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.827 5.381 -0.150 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.643 4.547 -0.619 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.155 4.983 -1.694 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.393 3.285 -0.041 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.179 4.161 -2.199 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.622 2.458 -0.556 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.401 2.889 -1.642 1.00 0.00 C ATOM 0 H PHE A 95 0.201 7.554 0.504 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.520 6.879 1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.559 4.707 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.295 5.825 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.020 5.954 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.983 2.952 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.795 4.507 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.803 1.489 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.168 2.246 -2.048 1.00 0.00 H new ATOM 1395 N THR A 96 -1.414 5.151 2.847 1.00 0.00 N ATOM 1396 CA THR A 96 -0.828 4.457 3.963 1.00 0.00 C ATOM 1397 C THR A 96 -1.391 3.047 3.820 1.00 0.00 C ATOM 1398 O THR A 96 -2.554 2.865 3.447 1.00 0.00 O ATOM 1399 CB THR A 96 -1.104 5.195 5.285 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.220 4.706 6.273 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.549 5.120 5.787 1.00 0.00 C ATOM 0 H THR A 96 -2.392 4.904 2.696 1.00 0.00 H new ATOM 0 HA THR A 96 0.261 4.415 3.975 1.00 0.00 H new ATOM 0 HB THR A 96 -0.936 6.253 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.701 4.935 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.638 5.671 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.216 5.558 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.823 4.078 5.952 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.532 2.045 3.942 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.930 0.657 3.821 1.00 0.00 C ATOM 1411 C VAL A 97 -0.917 0.021 5.207 1.00 0.00 C ATOM 1412 O VAL A 97 -0.077 0.394 6.030 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.058 0.007 2.739 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.367 -0.308 3.184 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.707 -1.258 2.218 1.00 0.00 C ATOM 0 H VAL A 97 0.462 2.176 4.128 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.954 0.516 3.476 1.00 0.00 H new ATOM 0 HB VAL A 97 0.018 0.755 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.913 -0.765 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.867 0.613 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.341 -0.998 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.073 -1.703 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.836 -1.965 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.680 -1.018 1.789 1.00 0.00 H new ATOM 1425 N THR A 98 -1.802 -0.940 5.452 1.00 0.00 N ATOM 1426 CA THR A 98 -1.858 -1.717 6.678 1.00 0.00 C ATOM 1427 C THR A 98 -2.308 -3.153 6.355 1.00 0.00 C ATOM 1428 O THR A 98 -2.421 -3.543 5.186 1.00 0.00 O ATOM 1429 CB THR A 98 -2.781 -1.023 7.697 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.074 -0.847 7.182 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.288 0.344 8.176 1.00 0.00 C ATOM 0 H THR A 98 -2.521 -1.205 4.779 1.00 0.00 H new ATOM 0 HA THR A 98 -0.869 -1.778 7.133 1.00 0.00 H new ATOM 0 HB THR A 98 -2.781 -1.701 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.178 0.075 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.000 0.758 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.316 0.232 8.656 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.197 1.017 7.323 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.517 -3.958 7.398 1.00 0.00 N ATOM 1440 CA LEU A 99 -2.997 -5.333 7.318 1.00 0.00 C ATOM 1441 C LEU A 99 -4.483 -5.385 6.978 1.00 0.00 C ATOM 1442 O LEU A 99 -5.222 -4.415 7.173 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.810 -6.002 8.679 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.343 -6.263 9.027 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.230 -6.405 10.537 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.821 -7.532 8.356 1.00 0.00 C ATOM 0 H LEU A 99 -2.349 -3.655 8.358 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.432 -5.842 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.253 -5.372 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.353 -6.947 8.689 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.742 -5.428 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.191 -6.592 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.570 -5.487 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.848 -7.239 10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.224 -7.683 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.410 -8.387 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.904 -7.432 7.274 1.00 0.00 H new ATOM 1458 N GLU A 100 -4.928 -6.553 6.518 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.332 -6.839 6.272 1.00 0.00 C ATOM 1460 C GLU A 100 -6.965 -7.075 7.640 1.00 0.00 C ATOM 1461 O GLU A 100 -8.013 -6.467 7.934 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.494 -8.040 5.317 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.922 -8.079 4.741 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.264 -9.299 3.863 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -7.484 -10.276 3.787 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -9.368 -9.300 3.260 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.369 -7.768 8.491 1.00 0.00 O ATOM 0 H GLU A 100 -4.310 -7.336 6.304 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.833 -6.011 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.770 -7.968 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.285 -8.967 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.628 -8.044 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.079 -7.176 4.151 1.00 0.00 H new TER 1474 GLU A 100