USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1029 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -149:sc= -0.956 (180deg=-1.07) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -9.09! C(o=-12!,f=-12!) USER MOD Set 2.2: A 92 HIS : no HD1:sc= -2.98 K(o=-12,f=-11) USER MOD Set 2.3: A 100 SER OG : rot -150:sc= -0.376 USER MOD Set 3.1: A 66 CYS SG : rot -61:sc= -0.877! USER MOD Set 3.2: A 71 SER OG : rot 180:sc= -1.31 USER MOD Single : A 1 GLU N :NH3+ -173:sc= -0.976 (180deg=-0.993) USER MOD Single : A 2 HIS : no HE2:sc= -2.8 X(o=-2.8,f=-3.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.313 (180deg=-1.41!) USER MOD Single : A 15 GLN : amide:sc= -4.44! K(o=-4.4!,f=-2.5) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.741 (180deg=-0.99) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= -2.72 USER MOD Single : A 41 TYR OH : rot -15:sc= -0.671 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -95:sc= 2.05 USER MOD Single : A 48 GLN : amide:sc= -0.0319 K(o=-0.032,f=-1.9!) USER MOD Single : A 51 ASN : amide:sc= 0.067 K(o=0.067,f=-1.2!) USER MOD Single : A 53 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.17) USER MOD Single : A 55 GLN : amide:sc= 0.951 K(o=0.95,f=-3.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0907 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 67 SER OG : rot 180:sc= -1.07! USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 114:sc= -1.23! USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.089) USER MOD Single : A 91 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.76) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 30:sc= -0.271 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 158:sc= -0.0245 (180deg=-0.266) USER MOD Single : A 120 SER OG : rot 180:sc= -0.132 USER MOD Single : A 123 LYS NZ :NH3+ -133:sc= -0.272 (180deg=-1.36!) USER MOD Single : A 124 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0081) USER MOD Single : A 128 ASN : amide:sc= 0.326 K(o=0.33,f=-1.9!) USER MOD Single : A 133 GLN : amide:sc= -3.02! C(o=-3!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 105.066 -6.095 16.220 1.00 0.00 N ATOM 2 CA GLU A 1 104.181 -5.201 17.020 1.00 0.00 C ATOM 3 C GLU A 1 103.144 -4.552 16.098 1.00 0.00 C ATOM 4 O GLU A 1 102.595 -3.513 16.403 1.00 0.00 O ATOM 5 CB GLU A 1 105.023 -4.111 17.687 1.00 0.00 C ATOM 6 CG GLU A 1 105.936 -4.742 18.739 1.00 0.00 C ATOM 7 CD GLU A 1 107.041 -3.755 19.115 1.00 0.00 C ATOM 8 OE1 GLU A 1 106.749 -2.572 19.200 1.00 0.00 O ATOM 9 OE2 GLU A 1 108.162 -4.195 19.311 1.00 0.00 O ATOM 0 H1 GLU A 1 105.692 -6.626 16.859 1.00 0.00 H new ATOM 0 H2 GLU A 1 104.484 -6.761 15.673 1.00 0.00 H new ATOM 0 H3 GLU A 1 105.640 -5.523 15.569 1.00 0.00 H new ATOM 0 HA GLU A 1 103.672 -5.786 17.786 1.00 0.00 H new ATOM 0 HB2 GLU A 1 105.619 -3.589 16.939 1.00 0.00 H new ATOM 0 HB3 GLU A 1 104.374 -3.369 18.152 1.00 0.00 H new ATOM 0 HG2 GLU A 1 105.358 -5.011 19.623 1.00 0.00 H new ATOM 0 HG3 GLU A 1 106.373 -5.663 18.352 1.00 0.00 H new ATOM 18 N HIS A 2 102.873 -5.157 14.975 1.00 0.00 N ATOM 19 CA HIS A 2 101.873 -4.576 14.037 1.00 0.00 C ATOM 20 C HIS A 2 101.812 -5.418 12.758 1.00 0.00 C ATOM 21 O HIS A 2 100.746 -5.776 12.298 1.00 0.00 O ATOM 22 CB HIS A 2 102.270 -3.133 13.692 1.00 0.00 C ATOM 23 CG HIS A 2 101.177 -2.190 14.116 1.00 0.00 C ATOM 24 ND1 HIS A 2 101.438 -1.026 14.828 1.00 0.00 N ATOM 25 CD2 HIS A 2 99.816 -2.222 13.939 1.00 0.00 C ATOM 26 CE1 HIS A 2 100.260 -0.413 15.049 1.00 0.00 C ATOM 27 NE2 HIS A 2 99.243 -1.102 14.528 1.00 0.00 N ATOM 0 H HIS A 2 103.301 -6.030 14.666 1.00 0.00 H new ATOM 0 HA HIS A 2 100.891 -4.576 14.510 1.00 0.00 H new ATOM 0 HB2 HIS A 2 103.202 -2.873 14.193 1.00 0.00 H new ATOM 0 HB3 HIS A 2 102.447 -3.041 12.620 1.00 0.00 H new ATOM 0 HD1 HIS A 2 102.355 -0.696 15.129 1.00 0.00 H new ATOM 0 HD2 HIS A 2 99.274 -2.999 13.421 1.00 0.00 H new ATOM 0 HE1 HIS A 2 100.152 0.520 15.582 1.00 0.00 H new ATOM 35 N PRO A 3 102.947 -5.732 12.188 1.00 0.00 N ATOM 36 CA PRO A 3 103.021 -6.547 10.939 1.00 0.00 C ATOM 37 C PRO A 3 102.232 -7.856 11.055 1.00 0.00 C ATOM 38 O PRO A 3 102.798 -8.929 11.129 1.00 0.00 O ATOM 39 CB PRO A 3 104.515 -6.830 10.770 1.00 0.00 C ATOM 40 CG PRO A 3 105.213 -5.747 11.523 1.00 0.00 C ATOM 41 CD PRO A 3 104.285 -5.347 12.669 1.00 0.00 C ATOM 0 HA PRO A 3 102.584 -6.024 10.089 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.775 -7.812 11.164 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.799 -6.823 9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.172 -6.096 11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.419 -4.895 10.875 1.00 0.00 H new ATOM 0 HD2 PRO A 3 104.543 -5.866 13.592 1.00 0.00 H new ATOM 0 HD3 PRO A 3 104.343 -4.279 12.877 1.00 0.00 H new ATOM 49 N GLU A 4 100.930 -7.775 11.080 1.00 0.00 N ATOM 50 CA GLU A 4 100.106 -9.011 11.200 1.00 0.00 C ATOM 51 C GLU A 4 99.925 -9.650 9.822 1.00 0.00 C ATOM 52 O GLU A 4 100.076 -10.845 9.657 1.00 0.00 O ATOM 53 CB GLU A 4 98.737 -8.656 11.782 1.00 0.00 C ATOM 54 CG GLU A 4 98.895 -8.247 13.247 1.00 0.00 C ATOM 55 CD GLU A 4 97.598 -7.600 13.740 1.00 0.00 C ATOM 56 OE1 GLU A 4 97.473 -6.394 13.606 1.00 0.00 O ATOM 57 OE2 GLU A 4 96.754 -8.322 14.243 1.00 0.00 O ATOM 0 H GLU A 4 100.401 -6.905 11.022 1.00 0.00 H new ATOM 0 HA GLU A 4 100.611 -9.717 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.288 -7.842 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.064 -9.510 11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.133 -9.120 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.725 -7.549 13.353 1.00 0.00 H new ATOM 64 N PHE A 5 99.598 -8.869 8.835 1.00 0.00 N ATOM 65 CA PHE A 5 99.404 -9.437 7.469 1.00 0.00 C ATOM 66 C PHE A 5 100.580 -10.356 7.129 1.00 0.00 C ATOM 67 O PHE A 5 100.511 -11.151 6.214 1.00 0.00 O ATOM 68 CB PHE A 5 99.322 -8.304 6.441 1.00 0.00 C ATOM 69 CG PHE A 5 99.461 -8.876 5.049 1.00 0.00 C ATOM 70 CD1 PHE A 5 100.665 -8.728 4.352 1.00 0.00 C ATOM 71 CD2 PHE A 5 98.391 -9.562 4.460 1.00 0.00 C ATOM 72 CE1 PHE A 5 100.803 -9.265 3.068 1.00 0.00 C ATOM 73 CE2 PHE A 5 98.531 -10.100 3.173 1.00 0.00 C ATOM 74 CZ PHE A 5 99.736 -9.952 2.479 1.00 0.00 C ATOM 0 H PHE A 5 99.456 -7.862 8.911 1.00 0.00 H new ATOM 0 HA PHE A 5 98.476 -10.008 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 5 98.371 -7.780 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.109 -7.573 6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.489 -8.198 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.460 -9.676 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 5 101.733 -9.149 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 5 97.707 -10.629 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 5 99.843 -10.368 1.488 1.00 0.00 H new ATOM 84 N LEU A 6 101.656 -10.255 7.861 1.00 0.00 N ATOM 85 CA LEU A 6 102.832 -11.127 7.578 1.00 0.00 C ATOM 86 C LEU A 6 102.641 -12.477 8.266 1.00 0.00 C ATOM 87 O LEU A 6 102.752 -13.520 7.654 1.00 0.00 O ATOM 88 CB LEU A 6 104.105 -10.460 8.105 1.00 0.00 C ATOM 89 CG LEU A 6 104.309 -9.112 7.409 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.629 -8.495 7.872 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.349 -9.321 5.893 1.00 0.00 C ATOM 0 H LEU A 6 101.772 -9.608 8.641 1.00 0.00 H new ATOM 0 HA LEU A 6 102.922 -11.276 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.032 -10.316 9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.965 -11.105 7.927 1.00 0.00 H new ATOM 0 HG LEU A 6 103.486 -8.444 7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.775 -7.535 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 6 105.602 -8.346 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.452 -9.163 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.494 -8.361 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.172 -9.989 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.409 -9.762 5.562 1.00 0.00 H new ATOM 103 N LYS A 7 102.357 -12.464 9.535 1.00 0.00 N ATOM 104 CA LYS A 7 102.160 -13.743 10.271 1.00 0.00 C ATOM 105 C LYS A 7 100.680 -14.134 10.232 1.00 0.00 C ATOM 106 O LYS A 7 100.264 -15.087 10.860 1.00 0.00 O ATOM 107 CB LYS A 7 102.602 -13.568 11.726 1.00 0.00 C ATOM 108 CG LYS A 7 104.129 -13.635 11.807 1.00 0.00 C ATOM 109 CD LYS A 7 104.597 -13.021 13.128 1.00 0.00 C ATOM 110 CE LYS A 7 103.896 -13.721 14.294 1.00 0.00 C ATOM 111 NZ LYS A 7 104.578 -13.363 15.571 1.00 0.00 N ATOM 0 H LYS A 7 102.252 -11.620 10.098 1.00 0.00 H new ATOM 0 HA LYS A 7 102.755 -14.526 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 7 102.248 -12.612 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 7 102.160 -14.346 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 7 104.463 -14.670 11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 7 104.572 -13.099 10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.678 -13.123 13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.375 -11.954 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 7 102.848 -13.424 14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.916 -14.801 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 104.102 -13.839 16.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.572 -13.667 15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.537 -12.333 15.710 1.00 0.00 H new ATOM 125 N ALA A 8 99.882 -13.405 9.501 1.00 0.00 N ATOM 126 CA ALA A 8 98.432 -13.736 9.426 1.00 0.00 C ATOM 127 C ALA A 8 98.258 -15.245 9.244 1.00 0.00 C ATOM 128 O ALA A 8 99.204 -15.963 8.992 1.00 0.00 O ATOM 129 CB ALA A 8 97.805 -13.004 8.238 1.00 0.00 C ATOM 0 H ALA A 8 100.172 -12.595 8.953 1.00 0.00 H new ATOM 0 HA ALA A 8 97.941 -13.424 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.743 -13.245 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.927 -11.929 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.298 -13.316 7.317 1.00 0.00 H new ATOM 135 N GLY A 9 97.050 -15.730 9.368 1.00 0.00 N ATOM 136 CA GLY A 9 96.809 -17.193 9.203 1.00 0.00 C ATOM 137 C GLY A 9 96.341 -17.788 10.532 1.00 0.00 C ATOM 138 O GLY A 9 97.058 -18.524 11.180 1.00 0.00 O ATOM 0 H GLY A 9 96.220 -15.175 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.058 -17.364 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.723 -17.688 8.873 1.00 0.00 H new ATOM 142 N LYS A 10 95.142 -17.477 10.945 1.00 0.00 N ATOM 143 CA LYS A 10 94.630 -18.026 12.229 1.00 0.00 C ATOM 144 C LYS A 10 93.166 -18.444 12.063 1.00 0.00 C ATOM 145 O LYS A 10 92.507 -18.813 13.013 1.00 0.00 O ATOM 146 CB LYS A 10 94.733 -16.955 13.319 1.00 0.00 C ATOM 147 CG LYS A 10 94.404 -15.579 12.728 1.00 0.00 C ATOM 148 CD LYS A 10 95.697 -14.856 12.343 1.00 0.00 C ATOM 149 CE LYS A 10 95.375 -13.418 11.934 1.00 0.00 C ATOM 150 NZ LYS A 10 94.554 -12.772 12.997 1.00 0.00 N ATOM 0 H LYS A 10 94.496 -16.865 10.446 1.00 0.00 H new ATOM 0 HA LYS A 10 95.224 -18.894 12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.046 -17.185 14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.738 -16.949 13.742 1.00 0.00 H new ATOM 0 HG2 LYS A 10 93.766 -15.693 11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.847 -14.986 13.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 96.392 -14.860 13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 96.187 -15.378 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 10 96.297 -12.857 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 94.835 -13.410 10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 94.629 -11.738 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 93.560 -13.057 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 94.899 -13.070 13.932 1.00 0.00 H new ATOM 164 N GLU A 11 92.655 -18.393 10.863 1.00 0.00 N ATOM 165 CA GLU A 11 91.236 -18.791 10.642 1.00 0.00 C ATOM 166 C GLU A 11 90.946 -18.829 9.137 1.00 0.00 C ATOM 167 O GLU A 11 91.426 -18.002 8.387 1.00 0.00 O ATOM 168 CB GLU A 11 90.309 -17.774 11.315 1.00 0.00 C ATOM 169 CG GLU A 11 90.968 -16.393 11.300 1.00 0.00 C ATOM 170 CD GLU A 11 89.888 -15.311 11.336 1.00 0.00 C ATOM 171 OE1 GLU A 11 89.938 -14.422 10.501 1.00 0.00 O ATOM 172 OE2 GLU A 11 89.027 -15.388 12.197 1.00 0.00 O ATOM 0 H GLU A 11 93.158 -18.093 10.028 1.00 0.00 H new ATOM 0 HA GLU A 11 91.064 -19.778 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.352 -17.738 10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.102 -18.078 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.633 -16.286 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.581 -16.281 10.405 1.00 0.00 H new ATOM 179 N PRO A 12 90.165 -19.783 8.696 1.00 0.00 N ATOM 180 CA PRO A 12 89.805 -19.928 7.255 1.00 0.00 C ATOM 181 C PRO A 12 88.795 -18.870 6.799 1.00 0.00 C ATOM 182 O PRO A 12 87.604 -19.110 6.768 1.00 0.00 O ATOM 183 CB PRO A 12 89.186 -21.323 7.176 1.00 0.00 C ATOM 184 CG PRO A 12 88.643 -21.590 8.541 1.00 0.00 C ATOM 185 CD PRO A 12 89.537 -20.830 9.522 1.00 0.00 C ATOM 0 HA PRO A 12 90.671 -19.796 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.398 -21.362 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.930 -22.068 6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.609 -21.255 8.619 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.649 -22.658 8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.957 -20.400 10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.283 -21.485 9.971 1.00 0.00 H new ATOM 193 N GLY A 13 89.259 -17.704 6.441 1.00 0.00 N ATOM 194 CA GLY A 13 88.322 -16.641 5.986 1.00 0.00 C ATOM 195 C GLY A 13 89.108 -15.535 5.282 1.00 0.00 C ATOM 196 O GLY A 13 89.591 -15.707 4.179 1.00 0.00 O ATOM 0 H GLY A 13 90.245 -17.443 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.579 -17.062 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.780 -16.231 6.838 1.00 0.00 H new ATOM 200 N LEU A 14 89.238 -14.399 5.909 1.00 0.00 N ATOM 201 CA LEU A 14 89.992 -13.281 5.276 1.00 0.00 C ATOM 202 C LEU A 14 90.373 -12.251 6.343 1.00 0.00 C ATOM 203 O LEU A 14 89.664 -12.049 7.307 1.00 0.00 O ATOM 204 CB LEU A 14 89.112 -12.614 4.213 1.00 0.00 C ATOM 205 CG LEU A 14 89.874 -11.448 3.567 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.605 -11.432 2.060 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.405 -10.125 4.178 1.00 0.00 C ATOM 0 H LEU A 14 88.855 -14.196 6.832 1.00 0.00 H new ATOM 0 HA LEU A 14 90.897 -13.670 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.829 -13.342 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.189 -12.251 4.666 1.00 0.00 H new ATOM 0 HG LEU A 14 90.942 -11.574 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.146 -10.604 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.940 -12.372 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.537 -11.309 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.947 -9.299 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.337 -10.001 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.597 -10.132 5.251 1.00 0.00 H new ATOM 219 N GLN A 15 91.491 -11.597 6.175 1.00 0.00 N ATOM 220 CA GLN A 15 91.920 -10.578 7.175 1.00 0.00 C ATOM 221 C GLN A 15 92.440 -9.340 6.442 1.00 0.00 C ATOM 222 O GLN A 15 93.232 -9.438 5.525 1.00 0.00 O ATOM 223 CB GLN A 15 93.030 -11.160 8.054 1.00 0.00 C ATOM 224 CG GLN A 15 92.436 -12.199 9.017 1.00 0.00 C ATOM 225 CD GLN A 15 93.235 -13.501 8.930 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.689 -14.574 9.091 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.515 -13.453 8.681 1.00 0.00 N ATOM 0 H GLN A 15 92.126 -11.725 5.387 1.00 0.00 H new ATOM 0 HA GLN A 15 91.073 -10.301 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.795 -11.623 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.516 -10.364 8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 15 92.456 -11.816 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.391 -12.385 8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.975 -12.553 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.056 -14.316 8.622 1.00 0.00 H new ATOM 236 N ILE A 16 91.993 -8.175 6.829 1.00 0.00 N ATOM 237 CA ILE A 16 92.455 -6.933 6.143 1.00 0.00 C ATOM 238 C ILE A 16 93.507 -6.219 6.994 1.00 0.00 C ATOM 239 O ILE A 16 93.580 -6.400 8.193 1.00 0.00 O ATOM 240 CB ILE A 16 91.260 -6.001 5.927 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.159 -6.745 5.161 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.706 -4.778 5.122 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.789 -6.215 5.590 1.00 0.00 C ATOM 0 H ILE A 16 91.329 -8.030 7.589 1.00 0.00 H new ATOM 0 HA ILE A 16 92.897 -7.200 5.183 1.00 0.00 H new ATOM 0 HB ILE A 16 90.873 -5.679 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.293 -6.609 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.224 -7.815 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.855 -4.114 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.486 -4.248 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.094 -5.100 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.007 -6.744 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.656 -6.374 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.726 -5.149 5.371 1.00 0.00 H new ATOM 255 N TRP A 17 94.319 -5.402 6.376 1.00 0.00 N ATOM 256 CA TRP A 17 95.366 -4.667 7.139 1.00 0.00 C ATOM 257 C TRP A 17 95.809 -3.442 6.333 1.00 0.00 C ATOM 258 O TRP A 17 96.117 -3.538 5.163 1.00 0.00 O ATOM 259 CB TRP A 17 96.569 -5.583 7.368 1.00 0.00 C ATOM 260 CG TRP A 17 96.357 -6.388 8.609 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.289 -5.883 9.861 1.00 0.00 C ATOM 262 CD2 TRP A 17 96.189 -7.830 8.739 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.088 -6.922 10.753 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.019 -8.141 10.109 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.166 -8.887 7.812 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.835 -9.455 10.543 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.980 -10.210 8.245 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.815 -10.492 9.608 1.00 0.00 C ATOM 0 H TRP A 17 94.301 -5.213 5.374 1.00 0.00 H new ATOM 0 HA TRP A 17 94.962 -4.350 8.101 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.703 -6.244 6.512 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.479 -4.990 7.458 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.377 -4.839 10.123 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.001 -6.802 11.762 1.00 0.00 H new ATOM 0 HE3 TRP A 17 96.292 -8.680 6.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.709 -9.668 11.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.964 -11.014 7.524 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.672 -11.511 9.935 1.00 0.00 H new ATOM 279 N ARG A 18 95.844 -2.291 6.949 1.00 0.00 N ATOM 280 CA ARG A 18 96.268 -1.065 6.210 1.00 0.00 C ATOM 281 C ARG A 18 97.723 -0.739 6.558 1.00 0.00 C ATOM 282 O ARG A 18 98.202 -1.064 7.626 1.00 0.00 O ATOM 283 CB ARG A 18 95.367 0.108 6.606 1.00 0.00 C ATOM 284 CG ARG A 18 96.061 1.429 6.263 1.00 0.00 C ATOM 285 CD ARG A 18 95.029 2.559 6.245 1.00 0.00 C ATOM 286 NE ARG A 18 95.707 3.854 6.536 1.00 0.00 N ATOM 287 CZ ARG A 18 95.071 4.978 6.351 1.00 0.00 C ATOM 288 NH1 ARG A 18 95.664 6.112 6.607 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.843 4.970 5.910 1.00 0.00 N ATOM 0 H ARG A 18 95.598 -2.146 7.928 1.00 0.00 H new ATOM 0 HA ARG A 18 96.183 -1.238 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.414 0.040 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.148 0.067 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.839 1.644 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.550 1.354 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 18 94.539 2.603 5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.252 2.368 6.985 1.00 0.00 H new ATOM 0 HE ARG A 18 96.667 3.861 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 18 96.624 6.119 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.167 6.991 6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.379 4.084 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.347 5.850 5.766 1.00 0.00 H new ATOM 303 N VAL A 19 98.428 -0.097 5.667 1.00 0.00 N ATOM 304 CA VAL A 19 99.849 0.250 5.951 1.00 0.00 C ATOM 305 C VAL A 19 99.903 1.452 6.896 1.00 0.00 C ATOM 306 O VAL A 19 99.273 2.465 6.662 1.00 0.00 O ATOM 307 CB VAL A 19 100.558 0.597 4.640 1.00 0.00 C ATOM 308 CG1 VAL A 19 102.044 0.845 4.910 1.00 0.00 C ATOM 309 CG2 VAL A 19 100.409 -0.566 3.657 1.00 0.00 C ATOM 0 H VAL A 19 98.082 0.202 4.755 1.00 0.00 H new ATOM 0 HA VAL A 19 100.345 -0.600 6.419 1.00 0.00 H new ATOM 0 HB VAL A 19 100.111 1.496 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.547 1.092 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.153 1.673 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.491 -0.053 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 19 100.914 -0.320 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 19 100.855 -1.464 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 19 99.352 -0.744 3.462 1.00 0.00 H new ATOM 319 N GLU A 20 100.647 1.351 7.966 1.00 0.00 N ATOM 320 CA GLU A 20 100.734 2.493 8.920 1.00 0.00 C ATOM 321 C GLU A 20 101.724 3.528 8.387 1.00 0.00 C ATOM 322 O GLU A 20 102.891 3.514 8.725 1.00 0.00 O ATOM 323 CB GLU A 20 101.217 1.989 10.280 1.00 0.00 C ATOM 324 CG GLU A 20 101.230 3.150 11.278 1.00 0.00 C ATOM 325 CD GLU A 20 101.112 2.604 12.702 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.544 1.485 12.923 1.00 0.00 O ATOM 327 OE2 GLU A 20 100.590 3.314 13.546 1.00 0.00 O ATOM 0 H GLU A 20 101.196 0.530 8.219 1.00 0.00 H new ATOM 0 HA GLU A 20 99.749 2.948 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.563 1.194 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.216 1.563 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.151 3.723 11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.405 3.831 11.069 1.00 0.00 H new ATOM 334 N LYS A 21 101.262 4.429 7.567 1.00 0.00 N ATOM 335 CA LYS A 21 102.167 5.476 7.008 1.00 0.00 C ATOM 336 C LYS A 21 103.531 4.867 6.672 1.00 0.00 C ATOM 337 O LYS A 21 104.498 5.575 6.470 1.00 0.00 O ATOM 338 CB LYS A 21 102.349 6.594 8.038 1.00 0.00 C ATOM 339 CG LYS A 21 101.033 7.365 8.209 1.00 0.00 C ATOM 340 CD LYS A 21 100.335 6.912 9.494 1.00 0.00 C ATOM 341 CE LYS A 21 98.989 7.631 9.626 1.00 0.00 C ATOM 342 NZ LYS A 21 98.990 8.854 8.774 1.00 0.00 N ATOM 0 H LYS A 21 100.292 4.487 7.257 1.00 0.00 H new ATOM 0 HA LYS A 21 101.724 5.881 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.661 6.173 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.139 7.272 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 101.230 8.436 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 21 100.384 7.192 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 21 100.183 5.833 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 21 100.963 7.131 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 21 98.179 6.966 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 21 98.810 7.901 10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 98.151 9.429 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 99.849 9.409 8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 98.971 8.579 7.771 1.00 0.00 H new ATOM 356 N PHE A 22 103.616 3.564 6.609 1.00 0.00 N ATOM 357 CA PHE A 22 104.916 2.904 6.288 1.00 0.00 C ATOM 358 C PHE A 22 104.918 1.489 6.872 1.00 0.00 C ATOM 359 O PHE A 22 105.401 0.556 6.262 1.00 0.00 O ATOM 360 CB PHE A 22 106.074 3.711 6.893 1.00 0.00 C ATOM 361 CG PHE A 22 107.234 2.795 7.205 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.200 2.530 6.226 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.344 2.210 8.472 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.275 1.681 6.516 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.418 1.361 8.762 1.00 0.00 C ATOM 366 CZ PHE A 22 109.384 1.097 7.783 1.00 0.00 C ATOM 0 H PHE A 22 102.837 2.925 6.767 1.00 0.00 H new ATOM 0 HA PHE A 22 105.042 2.857 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.390 4.487 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 22 105.742 4.214 7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.116 2.980 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 22 106.599 2.414 9.227 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.020 1.477 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.502 0.910 9.740 1.00 0.00 H new ATOM 0 HZ PHE A 22 110.214 0.442 8.006 1.00 0.00 H new ATOM 376 N ASP A 23 104.383 1.323 8.050 1.00 0.00 N ATOM 377 CA ASP A 23 104.354 -0.028 8.673 1.00 0.00 C ATOM 378 C ASP A 23 102.975 -0.657 8.456 1.00 0.00 C ATOM 379 O ASP A 23 102.338 -0.434 7.447 1.00 0.00 O ATOM 380 CB ASP A 23 104.642 0.094 10.176 1.00 0.00 C ATOM 381 CG ASP A 23 105.568 -1.042 10.615 1.00 0.00 C ATOM 382 OD1 ASP A 23 106.520 -0.761 11.327 1.00 0.00 O ATOM 383 OD2 ASP A 23 105.313 -2.172 10.234 1.00 0.00 O ATOM 0 H ASP A 23 103.964 2.067 8.608 1.00 0.00 H new ATOM 0 HA ASP A 23 105.114 -0.660 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 23 105.105 1.057 10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.710 0.055 10.740 1.00 0.00 H new ATOM 388 N LEU A 24 102.508 -1.440 9.392 1.00 0.00 N ATOM 389 CA LEU A 24 101.170 -2.079 9.231 1.00 0.00 C ATOM 390 C LEU A 24 100.218 -1.564 10.314 1.00 0.00 C ATOM 391 O LEU A 24 100.587 -1.412 11.461 1.00 0.00 O ATOM 392 CB LEU A 24 101.308 -3.599 9.355 1.00 0.00 C ATOM 393 CG LEU A 24 100.190 -4.278 8.558 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.621 -4.427 7.099 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.906 -5.663 9.148 1.00 0.00 C ATOM 0 H LEU A 24 102.995 -1.664 10.260 1.00 0.00 H new ATOM 0 HA LEU A 24 100.769 -1.829 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.281 -3.918 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 24 101.255 -3.896 10.402 1.00 0.00 H new ATOM 0 HG LEU A 24 99.288 -3.669 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.825 -4.910 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.821 -3.442 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.524 -5.035 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 24 99.110 -6.144 8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.808 -6.272 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.597 -5.559 10.188 1.00 0.00 H new ATOM 407 N VAL A 25 98.993 -1.297 9.953 1.00 0.00 N ATOM 408 CA VAL A 25 98.006 -0.794 10.951 1.00 0.00 C ATOM 409 C VAL A 25 96.665 -1.502 10.713 1.00 0.00 C ATOM 410 O VAL A 25 96.302 -1.790 9.590 1.00 0.00 O ATOM 411 CB VAL A 25 97.851 0.731 10.783 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.376 1.105 10.598 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.396 1.451 12.021 1.00 0.00 C ATOM 0 H VAL A 25 98.631 -1.406 9.006 1.00 0.00 H new ATOM 0 HA VAL A 25 98.345 -1.001 11.966 1.00 0.00 H new ATOM 0 HB VAL A 25 98.412 1.036 9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.286 2.185 10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.984 0.610 9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 25 95.807 0.786 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.283 2.528 11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 25 97.842 1.129 12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.451 1.209 12.147 1.00 0.00 H new ATOM 423 N PRO A 26 95.938 -1.784 11.762 1.00 0.00 N ATOM 424 CA PRO A 26 94.619 -2.475 11.662 1.00 0.00 C ATOM 425 C PRO A 26 93.543 -1.589 11.029 1.00 0.00 C ATOM 426 O PRO A 26 93.588 -0.377 11.121 1.00 0.00 O ATOM 427 CB PRO A 26 94.260 -2.799 13.115 1.00 0.00 C ATOM 428 CG PRO A 26 95.022 -1.817 13.941 1.00 0.00 C ATOM 429 CD PRO A 26 96.290 -1.477 13.158 1.00 0.00 C ATOM 0 HA PRO A 26 94.676 -3.356 11.023 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.187 -2.706 13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.535 -3.823 13.369 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.428 -0.922 14.124 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.270 -2.240 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.565 -0.429 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.139 -2.071 13.496 1.00 0.00 H new ATOM 437 N VAL A 27 92.574 -2.185 10.389 1.00 0.00 N ATOM 438 CA VAL A 27 91.491 -1.384 9.749 1.00 0.00 C ATOM 439 C VAL A 27 90.139 -1.784 10.351 1.00 0.00 C ATOM 440 O VAL A 27 89.581 -2.805 10.001 1.00 0.00 O ATOM 441 CB VAL A 27 91.474 -1.665 8.246 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.324 -0.895 7.595 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.801 -1.214 7.630 1.00 0.00 C ATOM 0 H VAL A 27 92.485 -3.195 10.281 1.00 0.00 H new ATOM 0 HA VAL A 27 91.671 -0.323 9.923 1.00 0.00 H new ATOM 0 HB VAL A 27 91.337 -2.733 8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 90.312 -1.096 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.378 -1.213 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.461 0.173 7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.791 -1.413 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.936 -0.146 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.622 -1.761 8.093 1.00 0.00 H new ATOM 453 N PRO A 28 89.615 -0.990 11.249 1.00 0.00 N ATOM 454 CA PRO A 28 88.306 -1.274 11.906 1.00 0.00 C ATOM 455 C PRO A 28 87.211 -1.611 10.889 1.00 0.00 C ATOM 456 O PRO A 28 87.299 -1.262 9.728 1.00 0.00 O ATOM 457 CB PRO A 28 87.975 0.025 12.641 1.00 0.00 C ATOM 458 CG PRO A 28 89.289 0.689 12.883 1.00 0.00 C ATOM 459 CD PRO A 28 90.213 0.263 11.740 1.00 0.00 C ATOM 0 HA PRO A 28 88.363 -2.141 12.565 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.319 0.658 12.044 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.457 -0.175 13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 28 89.177 1.773 12.906 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.702 0.390 13.847 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.254 1.020 10.957 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.234 0.109 12.088 1.00 0.00 H new ATOM 467 N THR A 29 86.180 -2.287 11.316 1.00 0.00 N ATOM 468 CA THR A 29 85.082 -2.647 10.375 1.00 0.00 C ATOM 469 C THR A 29 84.478 -1.373 9.783 1.00 0.00 C ATOM 470 O THR A 29 84.262 -1.271 8.592 1.00 0.00 O ATOM 471 CB THR A 29 84.001 -3.426 11.127 1.00 0.00 C ATOM 472 OG1 THR A 29 84.614 -4.390 11.971 1.00 0.00 O ATOM 473 CG2 THR A 29 83.084 -4.129 10.126 1.00 0.00 C ATOM 0 H THR A 29 86.050 -2.606 12.276 1.00 0.00 H new ATOM 0 HA THR A 29 85.481 -3.265 9.571 1.00 0.00 H new ATOM 0 HB THR A 29 83.412 -2.737 11.732 1.00 0.00 H new ATOM 0 HG1 THR A 29 83.922 -4.888 12.454 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.315 -4.683 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.613 -3.387 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.670 -4.819 9.518 1.00 0.00 H new ATOM 481 N ASN A 30 84.203 -0.396 10.605 1.00 0.00 N ATOM 482 CA ASN A 30 83.613 0.869 10.087 1.00 0.00 C ATOM 483 C ASN A 30 84.330 1.276 8.798 1.00 0.00 C ATOM 484 O ASN A 30 83.802 2.015 7.990 1.00 0.00 O ATOM 485 CB ASN A 30 83.779 1.974 11.134 1.00 0.00 C ATOM 486 CG ASN A 30 82.613 1.921 12.122 1.00 0.00 C ATOM 487 OD1 ASN A 30 82.323 0.885 12.684 1.00 0.00 O ATOM 488 ND2 ASN A 30 81.927 3.006 12.360 1.00 0.00 N ATOM 0 H ASN A 30 84.362 -0.421 11.612 1.00 0.00 H new ATOM 0 HA ASN A 30 82.553 0.719 9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 30 84.724 1.849 11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.813 2.949 10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 30 81.148 2.983 13.018 1.00 0.00 H new ATOM 0 HD22 ASN A 30 82.170 3.877 11.888 1.00 0.00 H new ATOM 495 N LEU A 31 85.530 0.800 8.600 1.00 0.00 N ATOM 496 CA LEU A 31 86.281 1.158 7.364 1.00 0.00 C ATOM 497 C LEU A 31 86.293 -0.038 6.411 1.00 0.00 C ATOM 498 O LEU A 31 86.420 0.115 5.212 1.00 0.00 O ATOM 499 CB LEU A 31 87.718 1.533 7.731 1.00 0.00 C ATOM 500 CG LEU A 31 87.708 2.702 8.718 1.00 0.00 C ATOM 501 CD1 LEU A 31 89.146 3.099 9.055 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.985 3.895 8.088 1.00 0.00 C ATOM 0 H LEU A 31 86.022 0.178 9.242 1.00 0.00 H new ATOM 0 HA LEU A 31 85.798 2.005 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 31 88.227 0.676 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 31 88.274 1.806 6.834 1.00 0.00 H new ATOM 0 HG LEU A 31 87.191 2.402 9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 31 89.138 3.932 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 89.662 2.250 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 31 89.664 3.398 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 86.977 4.728 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.502 4.194 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.960 3.614 7.848 1.00 0.00 H new ATOM 514 N TYR A 32 86.164 -1.226 6.933 1.00 0.00 N ATOM 515 CA TYR A 32 86.169 -2.431 6.056 1.00 0.00 C ATOM 516 C TYR A 32 85.332 -2.152 4.805 1.00 0.00 C ATOM 517 O TYR A 32 84.205 -1.706 4.887 1.00 0.00 O ATOM 518 CB TYR A 32 85.578 -3.620 6.820 1.00 0.00 C ATOM 519 CG TYR A 32 85.111 -4.676 5.846 1.00 0.00 C ATOM 520 CD1 TYR A 32 83.869 -5.299 6.031 1.00 0.00 C ATOM 521 CD2 TYR A 32 85.916 -5.034 4.757 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.436 -6.277 5.129 1.00 0.00 C ATOM 523 CE2 TYR A 32 85.482 -6.011 3.855 1.00 0.00 C ATOM 524 CZ TYR A 32 84.241 -6.634 4.041 1.00 0.00 C ATOM 525 OH TYR A 32 83.812 -7.598 3.152 1.00 0.00 O ATOM 0 H TYR A 32 86.055 -1.415 7.929 1.00 0.00 H new ATOM 0 HA TYR A 32 87.192 -2.666 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.326 -4.039 7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.744 -3.288 7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 32 83.246 -5.024 6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 32 86.873 -4.555 4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.479 -6.757 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 32 86.103 -6.285 3.015 1.00 0.00 H new ATOM 0 HH TYR A 32 84.489 -7.725 2.455 1.00 0.00 H new ATOM 535 N GLY A 33 85.874 -2.413 3.646 1.00 0.00 N ATOM 536 CA GLY A 33 85.110 -2.164 2.391 1.00 0.00 C ATOM 537 C GLY A 33 85.567 -0.844 1.768 1.00 0.00 C ATOM 538 O GLY A 33 85.381 -0.605 0.591 1.00 0.00 O ATOM 0 H GLY A 33 86.813 -2.788 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.267 -2.983 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.042 -2.127 2.604 1.00 0.00 H new ATOM 542 N ASP A 34 86.162 0.018 2.548 1.00 0.00 N ATOM 543 CA ASP A 34 86.627 1.322 2.000 1.00 0.00 C ATOM 544 C ASP A 34 88.119 1.235 1.671 1.00 0.00 C ATOM 545 O ASP A 34 88.841 0.432 2.228 1.00 0.00 O ATOM 546 CB ASP A 34 86.397 2.423 3.038 1.00 0.00 C ATOM 547 CG ASP A 34 84.903 2.528 3.347 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.194 1.571 3.082 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.493 3.563 3.846 1.00 0.00 O ATOM 0 H ASP A 34 86.346 -0.126 3.541 1.00 0.00 H new ATOM 0 HA ASP A 34 86.068 1.555 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.953 2.201 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.769 3.376 2.662 1.00 0.00 H new ATOM 554 N PHE A 35 88.586 2.054 0.768 1.00 0.00 N ATOM 555 CA PHE A 35 90.031 2.018 0.405 1.00 0.00 C ATOM 556 C PHE A 35 90.503 3.429 0.053 1.00 0.00 C ATOM 557 O PHE A 35 89.833 4.161 -0.650 1.00 0.00 O ATOM 558 CB PHE A 35 90.230 1.096 -0.800 1.00 0.00 C ATOM 559 CG PHE A 35 90.101 -0.343 -0.362 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.833 -0.908 -0.179 1.00 0.00 C ATOM 561 CD2 PHE A 35 91.249 -1.111 -0.136 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.714 -2.242 0.228 1.00 0.00 C ATOM 563 CE2 PHE A 35 91.130 -2.446 0.270 1.00 0.00 C ATOM 564 CZ PHE A 35 89.863 -3.012 0.452 1.00 0.00 C ATOM 0 H PHE A 35 88.029 2.746 0.266 1.00 0.00 H new ATOM 0 HA PHE A 35 90.610 1.642 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.491 1.321 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.212 1.266 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 35 87.947 -0.315 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 35 92.227 -0.674 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.736 -2.678 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 35 92.016 -3.039 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.771 -4.042 0.765 1.00 0.00 H new ATOM 574 N PHE A 36 91.651 3.819 0.535 1.00 0.00 N ATOM 575 CA PHE A 36 92.165 5.184 0.227 1.00 0.00 C ATOM 576 C PHE A 36 93.154 5.104 -0.938 1.00 0.00 C ATOM 577 O PHE A 36 93.656 4.047 -1.266 1.00 0.00 O ATOM 578 CB PHE A 36 92.874 5.752 1.460 1.00 0.00 C ATOM 579 CG PHE A 36 91.871 6.460 2.342 1.00 0.00 C ATOM 580 CD1 PHE A 36 92.214 7.668 2.959 1.00 0.00 C ATOM 581 CD2 PHE A 36 90.601 5.906 2.543 1.00 0.00 C ATOM 582 CE1 PHE A 36 91.285 8.324 3.777 1.00 0.00 C ATOM 583 CE2 PHE A 36 89.672 6.562 3.360 1.00 0.00 C ATOM 584 CZ PHE A 36 90.014 7.771 3.977 1.00 0.00 C ATOM 0 H PHE A 36 92.256 3.252 1.129 1.00 0.00 H new ATOM 0 HA PHE A 36 91.333 5.834 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.358 4.949 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.657 6.445 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 36 93.194 8.094 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 36 90.338 4.973 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 36 91.549 9.257 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 36 88.692 6.135 3.514 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.298 8.277 4.607 1.00 0.00 H new ATOM 594 N THR A 37 93.440 6.213 -1.564 1.00 0.00 N ATOM 595 CA THR A 37 94.397 6.198 -2.707 1.00 0.00 C ATOM 596 C THR A 37 95.782 6.621 -2.215 1.00 0.00 C ATOM 597 O THR A 37 96.749 6.596 -2.952 1.00 0.00 O ATOM 598 CB THR A 37 93.920 7.173 -3.788 1.00 0.00 C ATOM 599 OG1 THR A 37 93.986 8.501 -3.287 1.00 0.00 O ATOM 600 CG2 THR A 37 92.477 6.843 -4.176 1.00 0.00 C ATOM 0 H THR A 37 93.053 7.128 -1.334 1.00 0.00 H new ATOM 0 HA THR A 37 94.449 5.192 -3.124 1.00 0.00 H new ATOM 0 HB THR A 37 94.559 7.083 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.406 9.082 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 37 92.139 7.538 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.427 5.824 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.835 6.932 -3.300 1.00 0.00 H new ATOM 608 N GLY A 38 95.889 7.006 -0.973 1.00 0.00 N ATOM 609 CA GLY A 38 97.212 7.429 -0.434 1.00 0.00 C ATOM 610 C GLY A 38 97.958 6.204 0.101 1.00 0.00 C ATOM 611 O GLY A 38 98.862 5.694 -0.529 1.00 0.00 O ATOM 0 H GLY A 38 95.117 7.046 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.798 7.913 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 38 97.076 8.162 0.361 1.00 0.00 H new ATOM 615 N ASP A 39 97.585 5.730 1.258 1.00 0.00 N ATOM 616 CA ASP A 39 98.272 4.539 1.831 1.00 0.00 C ATOM 617 C ASP A 39 97.795 3.279 1.106 1.00 0.00 C ATOM 618 O ASP A 39 96.734 3.255 0.516 1.00 0.00 O ATOM 619 CB ASP A 39 97.940 4.427 3.321 1.00 0.00 C ATOM 620 CG ASP A 39 98.268 5.748 4.019 1.00 0.00 C ATOM 621 OD1 ASP A 39 97.504 6.686 3.856 1.00 0.00 O ATOM 622 OD2 ASP A 39 99.277 5.800 4.702 1.00 0.00 O ATOM 0 H ASP A 39 96.835 6.116 1.831 1.00 0.00 H new ATOM 0 HA ASP A 39 99.350 4.645 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.885 4.187 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.510 3.614 3.771 1.00 0.00 H new ATOM 627 N ALA A 40 98.571 2.232 1.145 1.00 0.00 N ATOM 628 CA ALA A 40 98.160 0.975 0.459 1.00 0.00 C ATOM 629 C ALA A 40 97.465 0.052 1.461 1.00 0.00 C ATOM 630 O ALA A 40 97.518 0.266 2.656 1.00 0.00 O ATOM 631 CB ALA A 40 99.397 0.274 -0.109 1.00 0.00 C ATOM 0 H ALA A 40 99.472 2.192 1.622 1.00 0.00 H new ATOM 0 HA ALA A 40 97.473 1.212 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.096 -0.646 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 40 99.892 0.932 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.085 0.036 0.702 1.00 0.00 H new ATOM 637 N TYR A 41 96.815 -0.977 0.983 1.00 0.00 N ATOM 638 CA TYR A 41 96.117 -1.914 1.909 1.00 0.00 C ATOM 639 C TYR A 41 96.542 -3.350 1.599 1.00 0.00 C ATOM 640 O TYR A 41 96.597 -3.759 0.456 1.00 0.00 O ATOM 641 CB TYR A 41 94.603 -1.781 1.723 1.00 0.00 C ATOM 642 CG TYR A 41 94.149 -0.426 2.213 1.00 0.00 C ATOM 643 CD1 TYR A 41 93.421 -0.320 3.404 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.455 0.724 1.474 1.00 0.00 C ATOM 645 CE1 TYR A 41 92.998 0.935 3.856 1.00 0.00 C ATOM 646 CE2 TYR A 41 94.033 1.980 1.927 1.00 0.00 C ATOM 647 CZ TYR A 41 93.305 2.085 3.118 1.00 0.00 C ATOM 648 OH TYR A 41 92.888 3.322 3.565 1.00 0.00 O ATOM 0 H TYR A 41 96.738 -1.208 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 41 96.381 -1.671 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.343 -1.904 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.088 -2.569 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 41 93.186 -1.207 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.016 0.642 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 41 92.435 1.017 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.269 2.867 1.358 1.00 0.00 H new ATOM 0 HH TYR A 41 92.204 3.206 4.257 1.00 0.00 H new ATOM 658 N VAL A 42 96.843 -4.120 2.609 1.00 0.00 N ATOM 659 CA VAL A 42 97.264 -5.527 2.381 1.00 0.00 C ATOM 660 C VAL A 42 96.146 -6.464 2.843 1.00 0.00 C ATOM 661 O VAL A 42 95.460 -6.194 3.809 1.00 0.00 O ATOM 662 CB VAL A 42 98.522 -5.813 3.196 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.496 -6.650 2.364 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.196 -4.495 3.584 1.00 0.00 C ATOM 0 H VAL A 42 96.814 -3.831 3.587 1.00 0.00 H new ATOM 0 HA VAL A 42 97.467 -5.684 1.322 1.00 0.00 H new ATOM 0 HB VAL A 42 98.246 -6.361 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.393 -6.852 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.022 -7.592 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.767 -6.102 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.094 -4.703 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.467 -3.946 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.508 -3.896 4.181 1.00 0.00 H new ATOM 674 N ILE A 43 95.949 -7.562 2.164 1.00 0.00 N ATOM 675 CA ILE A 43 94.866 -8.497 2.583 1.00 0.00 C ATOM 676 C ILE A 43 95.305 -9.946 2.356 1.00 0.00 C ATOM 677 O ILE A 43 95.911 -10.271 1.355 1.00 0.00 O ATOM 678 CB ILE A 43 93.602 -8.221 1.762 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.624 -6.782 1.234 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.371 -8.410 2.645 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.711 -6.642 0.166 1.00 0.00 C ATOM 0 H ILE A 43 96.485 -7.850 1.345 1.00 0.00 H new ATOM 0 HA ILE A 43 94.659 -8.344 3.642 1.00 0.00 H new ATOM 0 HB ILE A 43 93.566 -8.914 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 92.652 -6.524 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.813 -6.087 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.471 -8.214 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.345 -9.434 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.417 -7.718 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.724 -5.618 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 43 95.681 -6.882 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.503 -7.326 -0.657 1.00 0.00 H new ATOM 693 N LEU A 44 94.989 -10.821 3.276 1.00 0.00 N ATOM 694 CA LEU A 44 95.371 -12.254 3.111 1.00 0.00 C ATOM 695 C LEU A 44 94.114 -13.121 3.194 1.00 0.00 C ATOM 696 O LEU A 44 93.356 -13.044 4.142 1.00 0.00 O ATOM 697 CB LEU A 44 96.350 -12.664 4.216 1.00 0.00 C ATOM 698 CG LEU A 44 97.289 -13.755 3.692 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.140 -14.297 4.841 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.464 -14.898 3.092 1.00 0.00 C ATOM 0 H LEU A 44 94.483 -10.604 4.134 1.00 0.00 H new ATOM 0 HA LEU A 44 95.851 -12.392 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.928 -11.799 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.802 -13.028 5.085 1.00 0.00 H new ATOM 0 HG LEU A 44 97.938 -13.331 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.807 -15.073 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.731 -13.487 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.490 -14.718 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 97.133 -15.673 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.813 -15.318 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.858 -14.517 2.270 1.00 0.00 H new ATOM 712 N LYS A 45 93.886 -13.944 2.209 1.00 0.00 N ATOM 713 CA LYS A 45 92.677 -14.817 2.229 1.00 0.00 C ATOM 714 C LYS A 45 93.084 -16.249 2.579 1.00 0.00 C ATOM 715 O LYS A 45 93.996 -16.804 1.997 1.00 0.00 O ATOM 716 CB LYS A 45 92.014 -14.797 0.849 1.00 0.00 C ATOM 717 CG LYS A 45 90.964 -15.907 0.771 1.00 0.00 C ATOM 718 CD LYS A 45 89.978 -15.601 -0.359 1.00 0.00 C ATOM 719 CE LYS A 45 90.691 -15.723 -1.707 1.00 0.00 C ATOM 720 NZ LYS A 45 89.680 -15.798 -2.799 1.00 0.00 N ATOM 0 H LYS A 45 94.484 -14.051 1.390 1.00 0.00 H new ATOM 0 HA LYS A 45 91.975 -14.448 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.548 -13.828 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.765 -14.937 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.448 -16.868 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.433 -15.987 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.136 -16.292 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 45 89.573 -14.596 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 45 91.347 -14.866 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 91.321 -16.613 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 90.164 -15.881 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.072 -16.629 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 89.097 -14.937 -2.792 1.00 0.00 H new ATOM 734 N THR A 46 92.415 -16.853 3.523 1.00 0.00 N ATOM 735 CA THR A 46 92.761 -18.251 3.911 1.00 0.00 C ATOM 736 C THR A 46 91.483 -19.090 3.971 1.00 0.00 C ATOM 737 O THR A 46 90.536 -18.743 4.649 1.00 0.00 O ATOM 738 CB THR A 46 93.436 -18.246 5.286 1.00 0.00 C ATOM 739 OG1 THR A 46 94.637 -17.490 5.219 1.00 0.00 O ATOM 740 CG2 THR A 46 93.758 -19.682 5.704 1.00 0.00 C ATOM 0 H THR A 46 91.642 -16.438 4.044 1.00 0.00 H new ATOM 0 HA THR A 46 93.443 -18.678 3.175 1.00 0.00 H new ATOM 0 HB THR A 46 92.765 -17.799 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.394 -18.092 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.238 -19.677 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 46 92.836 -20.261 5.755 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.429 -20.132 4.973 1.00 0.00 H new ATOM 748 N VAL A 47 91.443 -20.191 3.264 1.00 0.00 N ATOM 749 CA VAL A 47 90.223 -21.039 3.280 1.00 0.00 C ATOM 750 C VAL A 47 90.623 -22.496 3.483 1.00 0.00 C ATOM 751 O VAL A 47 91.775 -22.852 3.382 1.00 0.00 O ATOM 752 CB VAL A 47 89.504 -20.912 1.945 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.994 -21.048 2.156 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.816 -19.550 1.322 1.00 0.00 C ATOM 0 H VAL A 47 92.204 -20.535 2.678 1.00 0.00 H new ATOM 0 HA VAL A 47 89.568 -20.716 4.089 1.00 0.00 H new ATOM 0 HB VAL A 47 89.845 -21.702 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.483 -20.956 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.774 -22.022 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.648 -20.262 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.300 -19.461 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.480 -18.758 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.891 -19.460 1.164 1.00 0.00 H new ATOM 764 N GLN A 48 89.669 -23.338 3.751 1.00 0.00 N ATOM 765 CA GLN A 48 89.972 -24.783 3.949 1.00 0.00 C ATOM 766 C GLN A 48 89.732 -25.535 2.638 1.00 0.00 C ATOM 767 O GLN A 48 88.647 -25.515 2.090 1.00 0.00 O ATOM 768 CB GLN A 48 89.058 -25.351 5.037 1.00 0.00 C ATOM 769 CG GLN A 48 89.516 -26.762 5.407 1.00 0.00 C ATOM 770 CD GLN A 48 88.728 -27.252 6.623 1.00 0.00 C ATOM 771 OE1 GLN A 48 88.112 -26.469 7.319 1.00 0.00 O ATOM 772 NE2 GLN A 48 88.720 -28.525 6.910 1.00 0.00 N ATOM 0 H GLN A 48 88.684 -23.088 3.843 1.00 0.00 H new ATOM 0 HA GLN A 48 91.013 -24.900 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.080 -24.708 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.027 -25.373 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.364 -27.438 4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.583 -26.763 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 48 89.237 -29.183 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 48 88.197 -28.862 7.718 1.00 0.00 H new ATOM 781 N LEU A 49 90.737 -26.194 2.125 1.00 0.00 N ATOM 782 CA LEU A 49 90.564 -26.941 0.847 1.00 0.00 C ATOM 783 C LEU A 49 89.938 -28.307 1.134 1.00 0.00 C ATOM 784 O LEU A 49 89.842 -28.732 2.268 1.00 0.00 O ATOM 785 CB LEU A 49 91.927 -27.138 0.182 1.00 0.00 C ATOM 786 CG LEU A 49 92.317 -25.865 -0.574 1.00 0.00 C ATOM 787 CD1 LEU A 49 93.841 -25.785 -0.685 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.705 -25.898 -1.977 1.00 0.00 C ATOM 0 H LEU A 49 91.669 -26.247 2.536 1.00 0.00 H new ATOM 0 HA LEU A 49 89.912 -26.374 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.680 -27.371 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 49 91.889 -27.984 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 49 91.945 -24.994 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.120 -24.879 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.278 -25.763 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.213 -26.656 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 49 91.982 -24.992 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.077 -26.769 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.619 -25.956 -1.899 1.00 0.00 H new ATOM 800 N ARG A 50 89.511 -29.000 0.112 1.00 0.00 N ATOM 801 CA ARG A 50 88.895 -30.339 0.327 1.00 0.00 C ATOM 802 C ARG A 50 89.722 -31.116 1.352 1.00 0.00 C ATOM 803 O ARG A 50 89.276 -31.383 2.450 1.00 0.00 O ATOM 804 CB ARG A 50 88.865 -31.104 -1.003 1.00 0.00 C ATOM 805 CG ARG A 50 87.513 -31.805 -1.166 1.00 0.00 C ATOM 806 CD ARG A 50 86.476 -30.802 -1.676 1.00 0.00 C ATOM 807 NE ARG A 50 85.218 -31.520 -2.023 1.00 0.00 N ATOM 808 CZ ARG A 50 84.252 -30.887 -2.630 1.00 0.00 C ATOM 809 NH1 ARG A 50 83.150 -31.516 -2.936 1.00 0.00 N ATOM 810 NH2 ARG A 50 84.387 -29.624 -2.931 1.00 0.00 N ATOM 0 H ARG A 50 89.563 -28.696 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 50 87.877 -30.222 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.031 -30.417 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 50 89.671 -31.837 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 50 87.604 -32.637 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.191 -32.224 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 50 86.278 -30.048 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 50 86.861 -30.278 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 50 85.112 -32.506 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 50 83.044 -32.503 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 50 82.395 -31.021 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 50 85.248 -29.132 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 83.632 -29.129 -3.406 1.00 0.00 H new ATOM 824 N ASN A 51 90.928 -31.475 1.005 1.00 0.00 N ATOM 825 CA ASN A 51 91.784 -32.228 1.964 1.00 0.00 C ATOM 826 C ASN A 51 91.994 -31.381 3.220 1.00 0.00 C ATOM 827 O ASN A 51 92.227 -31.895 4.297 1.00 0.00 O ATOM 828 CB ASN A 51 93.138 -32.526 1.317 1.00 0.00 C ATOM 829 CG ASN A 51 92.939 -32.811 -0.173 1.00 0.00 C ATOM 830 OD1 ASN A 51 93.012 -31.915 -0.990 1.00 0.00 O ATOM 831 ND2 ASN A 51 92.688 -34.030 -0.563 1.00 0.00 N ATOM 0 H ASN A 51 91.357 -31.280 0.100 1.00 0.00 H new ATOM 0 HA ASN A 51 91.298 -33.167 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.811 -31.679 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.605 -33.383 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.553 -34.231 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.627 -34.782 0.123 1.00 0.00 H new ATOM 838 N GLY A 52 91.909 -30.085 3.092 1.00 0.00 N ATOM 839 CA GLY A 52 92.099 -29.201 4.276 1.00 0.00 C ATOM 840 C GLY A 52 93.526 -28.650 4.284 1.00 0.00 C ATOM 841 O GLY A 52 94.156 -28.551 5.318 1.00 0.00 O ATOM 0 H GLY A 52 91.716 -29.599 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 52 91.382 -28.380 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 91.909 -29.759 5.193 1.00 0.00 H new ATOM 845 N ASN A 53 94.043 -28.287 3.142 1.00 0.00 N ATOM 846 CA ASN A 53 95.428 -27.742 3.097 1.00 0.00 C ATOM 847 C ASN A 53 95.385 -26.237 3.328 1.00 0.00 C ATOM 848 O ASN A 53 96.339 -25.526 3.081 1.00 0.00 O ATOM 849 CB ASN A 53 96.057 -28.039 1.734 1.00 0.00 C ATOM 850 CG ASN A 53 96.712 -29.421 1.761 1.00 0.00 C ATOM 851 OD1 ASN A 53 96.593 -30.181 0.821 1.00 0.00 O ATOM 852 ND2 ASN A 53 97.404 -29.782 2.807 1.00 0.00 N ATOM 0 H ASN A 53 93.568 -28.344 2.241 1.00 0.00 H new ATOM 0 HA ASN A 53 96.029 -28.212 3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 53 95.296 -28.002 0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.799 -27.278 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 97.844 -30.702 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 53 97.505 -29.144 3.597 1.00 0.00 H new ATOM 859 N LEU A 54 94.281 -25.757 3.802 1.00 0.00 N ATOM 860 CA LEU A 54 94.135 -24.305 4.065 1.00 0.00 C ATOM 861 C LEU A 54 94.717 -23.515 2.894 1.00 0.00 C ATOM 862 O LEU A 54 95.906 -23.284 2.813 1.00 0.00 O ATOM 863 CB LEU A 54 94.863 -23.936 5.359 1.00 0.00 C ATOM 864 CG LEU A 54 93.888 -24.039 6.538 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.628 -23.723 7.839 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.736 -23.043 6.348 1.00 0.00 C ATOM 0 H LEU A 54 93.458 -26.317 4.023 1.00 0.00 H new ATOM 0 HA LEU A 54 93.078 -24.061 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.711 -24.602 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.261 -22.924 5.289 1.00 0.00 H new ATOM 0 HG LEU A 54 93.484 -25.050 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.936 -23.796 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.442 -24.435 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.034 -22.713 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.046 -23.120 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.135 -22.030 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.207 -23.270 5.422 1.00 0.00 H new ATOM 878 N GLN A 55 93.879 -23.101 1.986 1.00 0.00 N ATOM 879 CA GLN A 55 94.375 -22.324 0.817 1.00 0.00 C ATOM 880 C GLN A 55 94.844 -20.948 1.289 1.00 0.00 C ATOM 881 O GLN A 55 94.384 -20.442 2.292 1.00 0.00 O ATOM 882 CB GLN A 55 93.246 -22.157 -0.203 1.00 0.00 C ATOM 883 CG GLN A 55 93.658 -21.127 -1.257 1.00 0.00 C ATOM 884 CD GLN A 55 92.880 -21.382 -2.551 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.457 -22.489 -2.811 1.00 0.00 O ATOM 886 NE2 GLN A 55 92.675 -20.393 -3.379 1.00 0.00 N ATOM 0 H GLN A 55 92.873 -23.267 2.003 1.00 0.00 H new ATOM 0 HA GLN A 55 95.206 -22.854 0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.028 -23.113 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.333 -21.835 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.459 -20.119 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.730 -21.192 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.031 -19.462 -3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.159 -20.551 -4.245 1.00 0.00 H new ATOM 895 N TYR A 56 95.756 -20.339 0.583 1.00 0.00 N ATOM 896 CA TYR A 56 96.248 -18.999 1.004 1.00 0.00 C ATOM 897 C TYR A 56 96.389 -18.095 -0.222 1.00 0.00 C ATOM 898 O TYR A 56 97.203 -18.334 -1.091 1.00 0.00 O ATOM 899 CB TYR A 56 97.608 -19.147 1.688 1.00 0.00 C ATOM 900 CG TYR A 56 97.417 -19.734 3.067 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.143 -18.896 4.154 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.517 -21.118 3.257 1.00 0.00 C ATOM 903 CE1 TYR A 56 96.966 -19.441 5.432 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.339 -21.663 4.534 1.00 0.00 C ATOM 905 CZ TYR A 56 97.064 -20.824 5.623 1.00 0.00 C ATOM 906 OH TYR A 56 96.891 -21.362 6.881 1.00 0.00 O ATOM 0 H TYR A 56 96.181 -20.711 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 56 95.537 -18.555 1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.258 -19.790 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.099 -18.176 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.068 -17.829 4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.731 -21.764 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 56 96.754 -18.794 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.414 -22.730 4.680 1.00 0.00 H new ATOM 0 HH TYR A 56 96.991 -22.336 6.837 1.00 0.00 H new ATOM 916 N ASP A 57 95.607 -17.054 -0.290 1.00 0.00 N ATOM 917 CA ASP A 57 95.696 -16.119 -1.449 1.00 0.00 C ATOM 918 C ASP A 57 95.932 -14.707 -0.912 1.00 0.00 C ATOM 919 O ASP A 57 95.112 -14.163 -0.200 1.00 0.00 O ATOM 920 CB ASP A 57 94.385 -16.156 -2.240 1.00 0.00 C ATOM 921 CG ASP A 57 94.438 -17.297 -3.260 1.00 0.00 C ATOM 922 OD1 ASP A 57 93.408 -17.914 -3.483 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.506 -17.535 -3.799 1.00 0.00 O ATOM 0 H ASP A 57 94.907 -16.809 0.410 1.00 0.00 H new ATOM 0 HA ASP A 57 96.514 -16.412 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.543 -16.298 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.228 -15.205 -2.749 1.00 0.00 H new ATOM 928 N LEU A 58 97.050 -14.114 -1.228 1.00 0.00 N ATOM 929 CA LEU A 58 97.332 -12.744 -0.708 1.00 0.00 C ATOM 930 C LEU A 58 97.098 -11.707 -1.807 1.00 0.00 C ATOM 931 O LEU A 58 97.338 -11.953 -2.972 1.00 0.00 O ATOM 932 CB LEU A 58 98.785 -12.666 -0.223 1.00 0.00 C ATOM 933 CG LEU A 58 99.387 -14.073 -0.156 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.720 -14.565 -1.570 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.664 -14.035 0.690 1.00 0.00 C ATOM 0 H LEU A 58 97.777 -14.515 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 58 96.661 -12.534 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.370 -12.042 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.825 -12.196 0.760 1.00 0.00 H new ATOM 0 HG LEU A 58 98.667 -14.755 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.148 -15.566 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.810 -14.591 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.439 -13.888 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.097 -15.034 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.381 -13.352 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.424 -13.692 1.696 1.00 0.00 H new ATOM 947 N HIS A 59 96.629 -10.545 -1.438 1.00 0.00 N ATOM 948 CA HIS A 59 96.376 -9.482 -2.447 1.00 0.00 C ATOM 949 C HIS A 59 96.999 -8.169 -1.969 1.00 0.00 C ATOM 950 O HIS A 59 97.113 -7.920 -0.784 1.00 0.00 O ATOM 951 CB HIS A 59 94.868 -9.295 -2.625 1.00 0.00 C ATOM 952 CG HIS A 59 94.204 -10.639 -2.748 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.426 -10.983 -3.845 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.189 -11.735 -1.919 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.981 -12.239 -3.650 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.417 -12.739 -2.492 1.00 0.00 N ATOM 0 H HIS A 59 96.410 -10.288 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 59 96.821 -9.771 -3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.456 -8.751 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.668 -8.697 -3.514 1.00 0.00 H new ATOM 0 HD1 HIS A 59 93.227 -10.392 -4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.698 -11.805 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.350 -12.775 -4.344 1.00 0.00 H new ATOM 964 N TYR A 60 97.404 -7.329 -2.881 1.00 0.00 N ATOM 965 CA TYR A 60 98.016 -6.028 -2.482 1.00 0.00 C ATOM 966 C TYR A 60 97.326 -4.891 -3.237 1.00 0.00 C ATOM 967 O TYR A 60 97.311 -4.860 -4.452 1.00 0.00 O ATOM 968 CB TYR A 60 99.513 -6.041 -2.820 1.00 0.00 C ATOM 969 CG TYR A 60 100.307 -5.634 -1.601 1.00 0.00 C ATOM 970 CD1 TYR A 60 101.410 -6.395 -1.201 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.936 -4.498 -0.872 1.00 0.00 C ATOM 972 CE1 TYR A 60 102.144 -6.021 -0.068 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.670 -4.124 0.259 1.00 0.00 C ATOM 974 CZ TYR A 60 101.774 -4.886 0.661 1.00 0.00 C ATOM 975 OH TYR A 60 102.495 -4.518 1.777 1.00 0.00 O ATOM 0 H TYR A 60 97.338 -7.486 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 60 97.891 -5.878 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.814 -7.036 -3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.717 -5.358 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 60 101.696 -7.270 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.084 -3.911 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 60 102.995 -6.609 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.385 -3.248 0.822 1.00 0.00 H new ATOM 0 HH TYR A 60 102.106 -3.707 2.165 1.00 0.00 H new ATOM 985 N TRP A 61 96.751 -3.957 -2.529 1.00 0.00 N ATOM 986 CA TRP A 61 96.062 -2.824 -3.208 1.00 0.00 C ATOM 987 C TRP A 61 96.956 -1.585 -3.172 1.00 0.00 C ATOM 988 O TRP A 61 97.373 -1.137 -2.120 1.00 0.00 O ATOM 989 CB TRP A 61 94.744 -2.525 -2.490 1.00 0.00 C ATOM 990 CG TRP A 61 93.891 -1.656 -3.358 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.934 -2.102 -4.203 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.902 -0.203 -3.481 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.356 -1.016 -4.837 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.918 0.175 -4.424 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.662 0.811 -2.870 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.696 1.514 -4.750 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.441 2.159 -3.196 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.461 2.510 -4.135 1.00 0.00 C ATOM 0 H TRP A 61 96.729 -3.930 -1.510 1.00 0.00 H new ATOM 0 HA TRP A 61 95.858 -3.092 -4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.222 -3.455 -2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.939 -2.028 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.665 -3.136 -4.358 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.606 -1.087 -5.525 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.420 0.551 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.938 1.779 -5.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 95.029 2.930 -2.721 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.297 3.548 -4.383 1.00 0.00 H new ATOM 1009 N LEU A 62 97.254 -1.024 -4.314 1.00 0.00 N ATOM 1010 CA LEU A 62 98.123 0.189 -4.348 1.00 0.00 C ATOM 1011 C LEU A 62 97.260 1.425 -4.617 1.00 0.00 C ATOM 1012 O LEU A 62 96.140 1.323 -5.078 1.00 0.00 O ATOM 1013 CB LEU A 62 99.162 0.040 -5.462 1.00 0.00 C ATOM 1014 CG LEU A 62 99.795 -1.350 -5.387 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.935 -1.448 -6.401 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.347 -1.581 -3.978 1.00 0.00 C ATOM 0 H LEU A 62 96.933 -1.353 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 62 98.631 0.301 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.691 0.185 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.930 0.807 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 62 99.042 -2.105 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 62 101.386 -2.439 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 62 100.544 -1.281 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.689 -0.694 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.799 -2.571 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.100 -0.825 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.536 -1.511 -3.253 1.00 0.00 H new ATOM 1028 N GLY A 63 97.772 2.592 -4.330 1.00 0.00 N ATOM 1029 CA GLY A 63 96.982 3.835 -4.566 1.00 0.00 C ATOM 1030 C GLY A 63 97.633 4.654 -5.681 1.00 0.00 C ATOM 1031 O GLY A 63 98.785 4.463 -6.018 1.00 0.00 O ATOM 0 H GLY A 63 98.704 2.738 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.958 3.580 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.931 4.425 -3.651 1.00 0.00 H new ATOM 1035 N ASN A 64 96.902 5.567 -6.259 1.00 0.00 N ATOM 1036 CA ASN A 64 97.473 6.402 -7.353 1.00 0.00 C ATOM 1037 C ASN A 64 98.279 7.553 -6.752 1.00 0.00 C ATOM 1038 O ASN A 64 99.014 8.232 -7.439 1.00 0.00 O ATOM 1039 CB ASN A 64 96.341 6.962 -8.216 1.00 0.00 C ATOM 1040 CG ASN A 64 95.399 5.828 -8.624 1.00 0.00 C ATOM 1041 OD1 ASN A 64 94.265 5.778 -8.190 1.00 0.00 O ATOM 1042 ND2 ASN A 64 95.825 4.907 -9.446 1.00 0.00 N ATOM 0 H ASN A 64 95.932 5.771 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 64 98.128 5.788 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.791 7.724 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 64 96.751 7.445 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 64 95.206 4.146 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 64 96.777 4.949 -9.810 1.00 0.00 H new ATOM 1049 N GLU A 65 98.155 7.767 -5.471 1.00 0.00 N ATOM 1050 CA GLU A 65 98.918 8.861 -4.819 1.00 0.00 C ATOM 1051 C GLU A 65 99.984 8.221 -3.943 1.00 0.00 C ATOM 1052 O GLU A 65 100.333 8.722 -2.893 1.00 0.00 O ATOM 1053 CB GLU A 65 97.976 9.710 -3.962 1.00 0.00 C ATOM 1054 CG GLU A 65 96.533 9.484 -4.414 1.00 0.00 C ATOM 1055 CD GLU A 65 95.653 10.632 -3.914 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.201 10.557 -2.784 1.00 0.00 O ATOM 1057 OE2 GLU A 65 95.447 11.567 -4.672 1.00 0.00 O ATOM 0 H GLU A 65 97.555 7.227 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 65 99.378 9.508 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 65 98.085 9.444 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 65 98.236 10.765 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.487 9.424 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 65 96.164 8.534 -4.026 1.00 0.00 H new ATOM 1064 N CYS A 66 100.501 7.106 -4.377 1.00 0.00 N ATOM 1065 CA CYS A 66 101.537 6.409 -3.595 1.00 0.00 C ATOM 1066 C CYS A 66 102.702 6.071 -4.510 1.00 0.00 C ATOM 1067 O CYS A 66 102.700 5.097 -5.236 1.00 0.00 O ATOM 1068 CB CYS A 66 100.946 5.143 -2.994 1.00 0.00 C ATOM 1069 SG CYS A 66 100.664 3.913 -4.292 1.00 0.00 S ATOM 0 H CYS A 66 100.241 6.649 -5.251 1.00 0.00 H new ATOM 0 HA CYS A 66 101.893 7.047 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 66 101.621 4.739 -2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 66 100.007 5.374 -2.490 1.00 0.00 H new ATOM 0 HG CYS A 66 99.813 4.381 -5.156 1.00 0.00 H new ATOM 1075 N SER A 67 103.689 6.889 -4.468 1.00 0.00 N ATOM 1076 CA SER A 67 104.895 6.679 -5.319 1.00 0.00 C ATOM 1077 C SER A 67 105.343 5.218 -5.229 1.00 0.00 C ATOM 1078 O SER A 67 104.777 4.429 -4.500 1.00 0.00 O ATOM 1079 CB SER A 67 106.023 7.590 -4.834 1.00 0.00 C ATOM 1080 OG SER A 67 107.267 6.917 -4.988 1.00 0.00 O ATOM 0 H SER A 67 103.726 7.716 -3.872 1.00 0.00 H new ATOM 0 HA SER A 67 104.653 6.917 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.026 8.520 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 105.867 7.857 -3.789 1.00 0.00 H new ATOM 0 HG SER A 67 107.994 7.498 -4.679 1.00 0.00 H new ATOM 1086 N GLN A 68 106.358 4.858 -5.965 1.00 0.00 N ATOM 1087 CA GLN A 68 106.848 3.452 -5.927 1.00 0.00 C ATOM 1088 C GLN A 68 107.435 3.151 -4.545 1.00 0.00 C ATOM 1089 O GLN A 68 107.603 2.008 -4.168 1.00 0.00 O ATOM 1090 CB GLN A 68 107.933 3.262 -6.989 1.00 0.00 C ATOM 1091 CG GLN A 68 108.998 4.351 -6.835 1.00 0.00 C ATOM 1092 CD GLN A 68 110.332 3.842 -7.383 1.00 0.00 C ATOM 1093 OE1 GLN A 68 110.455 3.570 -8.560 1.00 0.00 O ATOM 1094 NE2 GLN A 68 111.345 3.701 -6.572 1.00 0.00 N ATOM 0 H GLN A 68 106.870 5.478 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 68 106.018 2.774 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.388 2.277 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.493 3.308 -7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.693 5.251 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 68 109.105 4.624 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 68 111.242 3.929 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 68 112.239 3.363 -6.927 1.00 0.00 H new ATOM 1103 N ASP A 69 107.749 4.166 -3.789 1.00 0.00 N ATOM 1104 CA ASP A 69 108.326 3.934 -2.436 1.00 0.00 C ATOM 1105 C ASP A 69 107.311 3.197 -1.565 1.00 0.00 C ATOM 1106 O ASP A 69 107.570 2.120 -1.066 1.00 0.00 O ATOM 1107 CB ASP A 69 108.674 5.277 -1.792 1.00 0.00 C ATOM 1108 CG ASP A 69 107.633 6.322 -2.196 1.00 0.00 C ATOM 1109 OD1 ASP A 69 106.555 5.927 -2.612 1.00 0.00 O ATOM 1110 OD2 ASP A 69 107.929 7.500 -2.085 1.00 0.00 O ATOM 0 H ASP A 69 107.631 5.145 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 69 109.229 3.330 -2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.701 5.176 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 69 109.667 5.597 -2.107 1.00 0.00 H new ATOM 1115 N GLU A 70 106.156 3.767 -1.381 1.00 0.00 N ATOM 1116 CA GLU A 70 105.121 3.101 -0.544 1.00 0.00 C ATOM 1117 C GLU A 70 104.739 1.770 -1.186 1.00 0.00 C ATOM 1118 O GLU A 70 104.757 0.733 -0.553 1.00 0.00 O ATOM 1119 CB GLU A 70 103.886 3.997 -0.443 1.00 0.00 C ATOM 1120 CG GLU A 70 104.085 5.017 0.680 1.00 0.00 C ATOM 1121 CD GLU A 70 105.388 5.784 0.447 1.00 0.00 C ATOM 1122 OE1 GLU A 70 106.322 5.567 1.202 1.00 0.00 O ATOM 1123 OE2 GLU A 70 105.431 6.574 -0.480 1.00 0.00 O ATOM 0 H GLU A 70 105.882 4.667 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 70 105.517 2.925 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.718 4.511 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.000 3.393 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.244 5.709 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.116 4.510 1.645 1.00 0.00 H new ATOM 1130 N SER A 71 104.399 1.792 -2.442 1.00 0.00 N ATOM 1131 CA SER A 71 104.022 0.528 -3.133 1.00 0.00 C ATOM 1132 C SER A 71 105.253 -0.375 -3.219 1.00 0.00 C ATOM 1133 O SER A 71 105.145 -1.580 -3.345 1.00 0.00 O ATOM 1134 CB SER A 71 103.518 0.848 -4.541 1.00 0.00 C ATOM 1135 OG SER A 71 104.163 2.022 -5.016 1.00 0.00 O ATOM 0 H SER A 71 104.365 2.631 -3.022 1.00 0.00 H new ATOM 0 HA SER A 71 103.233 0.022 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.720 0.012 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.438 0.993 -4.529 1.00 0.00 H new ATOM 0 HG SER A 71 103.843 2.229 -5.919 1.00 0.00 H new ATOM 1141 N GLY A 72 106.424 0.198 -3.146 1.00 0.00 N ATOM 1142 CA GLY A 72 107.664 -0.626 -3.219 1.00 0.00 C ATOM 1143 C GLY A 72 107.861 -1.355 -1.890 1.00 0.00 C ATOM 1144 O GLY A 72 108.141 -2.536 -1.854 1.00 0.00 O ATOM 0 H GLY A 72 106.575 1.201 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.590 -1.345 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.525 0.008 -3.431 1.00 0.00 H new ATOM 1148 N ALA A 73 107.716 -0.661 -0.794 1.00 0.00 N ATOM 1149 CA ALA A 73 107.893 -1.318 0.531 1.00 0.00 C ATOM 1150 C ALA A 73 106.773 -2.337 0.739 1.00 0.00 C ATOM 1151 O ALA A 73 106.986 -3.414 1.260 1.00 0.00 O ATOM 1152 CB ALA A 73 107.841 -0.264 1.637 1.00 0.00 C ATOM 0 H ALA A 73 107.483 0.331 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 73 108.858 -1.824 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.971 -0.746 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.638 0.463 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.877 0.244 1.611 1.00 0.00 H new ATOM 1158 N ALA A 74 105.582 -2.006 0.327 1.00 0.00 N ATOM 1159 CA ALA A 74 104.449 -2.955 0.492 1.00 0.00 C ATOM 1160 C ALA A 74 104.773 -4.250 -0.253 1.00 0.00 C ATOM 1161 O ALA A 74 104.835 -5.316 0.328 1.00 0.00 O ATOM 1162 CB ALA A 74 103.173 -2.332 -0.084 1.00 0.00 C ATOM 0 H ALA A 74 105.345 -1.119 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 74 104.296 -3.170 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 102.342 -3.027 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.950 -1.405 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 74 103.318 -2.120 -1.143 1.00 0.00 H new ATOM 1168 N ALA A 75 104.989 -4.164 -1.536 1.00 0.00 N ATOM 1169 CA ALA A 75 105.315 -5.387 -2.320 1.00 0.00 C ATOM 1170 C ALA A 75 106.411 -6.175 -1.603 1.00 0.00 C ATOM 1171 O ALA A 75 106.353 -7.384 -1.501 1.00 0.00 O ATOM 1172 CB ALA A 75 105.804 -4.985 -3.713 1.00 0.00 C ATOM 0 H ALA A 75 104.954 -3.299 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 75 104.423 -6.007 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.043 -5.880 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.023 -4.423 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.696 -4.365 -3.621 1.00 0.00 H new ATOM 1178 N ILE A 76 107.415 -5.503 -1.108 1.00 0.00 N ATOM 1179 CA ILE A 76 108.512 -6.223 -0.399 1.00 0.00 C ATOM 1180 C ILE A 76 107.927 -7.039 0.755 1.00 0.00 C ATOM 1181 O ILE A 76 108.350 -8.147 1.018 1.00 0.00 O ATOM 1182 CB ILE A 76 109.518 -5.208 0.149 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.342 -4.635 -1.007 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.451 -5.903 1.143 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.252 -3.519 -0.487 1.00 0.00 C ATOM 0 H ILE A 76 107.523 -4.490 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 76 109.016 -6.893 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 76 108.985 -4.401 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.941 -5.422 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.680 -4.247 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 76 111.168 -5.182 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.865 -6.315 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.985 -6.708 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.837 -3.113 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.643 -2.727 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.924 -3.921 0.271 1.00 0.00 H new ATOM 1197 N PHE A 77 106.959 -6.502 1.447 1.00 0.00 N ATOM 1198 CA PHE A 77 106.354 -7.254 2.584 1.00 0.00 C ATOM 1199 C PHE A 77 105.655 -8.511 2.058 1.00 0.00 C ATOM 1200 O PHE A 77 105.875 -9.602 2.543 1.00 0.00 O ATOM 1201 CB PHE A 77 105.338 -6.364 3.304 1.00 0.00 C ATOM 1202 CG PHE A 77 106.050 -5.514 4.333 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.737 -6.123 5.390 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.023 -4.119 4.228 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.396 -5.337 6.343 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.682 -3.332 5.179 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.368 -3.942 6.238 1.00 0.00 C ATOM 0 H PHE A 77 106.562 -5.578 1.275 1.00 0.00 H new ATOM 0 HA PHE A 77 107.139 -7.545 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.823 -5.727 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.579 -6.979 3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 77 106.759 -7.200 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 77 105.493 -3.649 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 77 107.926 -5.807 7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 77 106.662 -2.255 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.875 -3.335 6.973 1.00 0.00 H new ATOM 1217 N THR A 78 104.817 -8.371 1.065 1.00 0.00 N ATOM 1218 CA THR A 78 104.117 -9.564 0.514 1.00 0.00 C ATOM 1219 C THR A 78 105.155 -10.510 -0.086 1.00 0.00 C ATOM 1220 O THR A 78 105.030 -11.717 -0.018 1.00 0.00 O ATOM 1221 CB THR A 78 103.125 -9.123 -0.569 1.00 0.00 C ATOM 1222 OG1 THR A 78 101.958 -8.601 0.052 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.743 -10.318 -1.444 1.00 0.00 C ATOM 0 H THR A 78 104.589 -7.485 0.614 1.00 0.00 H new ATOM 0 HA THR A 78 103.570 -10.074 1.307 1.00 0.00 H new ATOM 0 HB THR A 78 103.588 -8.358 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.883 -7.644 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.038 -9.997 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.637 -10.722 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 78 102.281 -11.088 -0.826 1.00 0.00 H new ATOM 1231 N VAL A 79 106.190 -9.967 -0.663 1.00 0.00 N ATOM 1232 CA VAL A 79 107.247 -10.827 -1.256 1.00 0.00 C ATOM 1233 C VAL A 79 107.834 -11.711 -0.157 1.00 0.00 C ATOM 1234 O VAL A 79 108.072 -12.887 -0.350 1.00 0.00 O ATOM 1235 CB VAL A 79 108.343 -9.943 -1.852 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.512 -10.816 -2.306 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.780 -9.172 -3.052 1.00 0.00 C ATOM 0 H VAL A 79 106.348 -8.963 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 79 106.826 -11.452 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 79 108.691 -9.237 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.293 -10.186 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.911 -11.363 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.167 -11.523 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.560 -8.541 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.431 -9.877 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.947 -8.549 -2.726 1.00 0.00 H new ATOM 1247 N GLN A 80 108.056 -11.153 1.000 1.00 0.00 N ATOM 1248 CA GLN A 80 108.611 -11.960 2.121 1.00 0.00 C ATOM 1249 C GLN A 80 107.614 -13.064 2.469 1.00 0.00 C ATOM 1250 O GLN A 80 107.978 -14.204 2.672 1.00 0.00 O ATOM 1251 CB GLN A 80 108.831 -11.062 3.341 1.00 0.00 C ATOM 1252 CG GLN A 80 110.012 -10.125 3.081 1.00 0.00 C ATOM 1253 CD GLN A 80 110.292 -9.297 4.337 1.00 0.00 C ATOM 1254 OE1 GLN A 80 109.723 -9.545 5.380 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.152 -8.317 4.278 1.00 0.00 N ATOM 0 H GLN A 80 107.877 -10.173 1.218 1.00 0.00 H new ATOM 0 HA GLN A 80 109.564 -12.399 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.931 -10.482 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.024 -11.671 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 80 110.895 -10.703 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.790 -9.467 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 80 111.630 -8.110 3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 80 111.347 -7.759 5.109 1.00 0.00 H new ATOM 1264 N LEU A 81 106.352 -12.731 2.531 1.00 0.00 N ATOM 1265 CA LEU A 81 105.327 -13.760 2.854 1.00 0.00 C ATOM 1266 C LEU A 81 105.527 -14.965 1.934 1.00 0.00 C ATOM 1267 O LEU A 81 105.511 -16.100 2.369 1.00 0.00 O ATOM 1268 CB LEU A 81 103.928 -13.175 2.636 1.00 0.00 C ATOM 1269 CG LEU A 81 103.409 -12.561 3.942 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.629 -11.283 3.631 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.485 -13.560 4.645 1.00 0.00 C ATOM 0 H LEU A 81 105.989 -11.791 2.372 1.00 0.00 H new ATOM 0 HA LEU A 81 105.428 -14.069 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.960 -12.416 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.247 -13.955 2.295 1.00 0.00 H new ATOM 0 HG LEU A 81 104.253 -12.325 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.260 -10.847 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.284 -10.570 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.786 -11.520 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 81 102.116 -13.124 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.642 -13.796 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.038 -14.473 4.868 1.00 0.00 H new ATOM 1283 N ASP A 82 105.721 -14.728 0.666 1.00 0.00 N ATOM 1284 CA ASP A 82 105.930 -15.865 -0.272 1.00 0.00 C ATOM 1285 C ASP A 82 107.171 -16.642 0.159 1.00 0.00 C ATOM 1286 O ASP A 82 107.100 -17.811 0.482 1.00 0.00 O ATOM 1287 CB ASP A 82 106.125 -15.330 -1.693 1.00 0.00 C ATOM 1288 CG ASP A 82 104.762 -14.984 -2.299 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.276 -15.768 -3.096 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.230 -13.942 -1.957 1.00 0.00 O ATOM 0 H ASP A 82 105.744 -13.801 0.241 1.00 0.00 H new ATOM 0 HA ASP A 82 105.060 -16.522 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 82 106.762 -14.446 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.630 -16.075 -2.308 1.00 0.00 H new ATOM 1295 N ASP A 83 108.309 -16.004 0.182 1.00 0.00 N ATOM 1296 CA ASP A 83 109.542 -16.719 0.610 1.00 0.00 C ATOM 1297 C ASP A 83 109.233 -17.488 1.892 1.00 0.00 C ATOM 1298 O ASP A 83 109.756 -18.558 2.132 1.00 0.00 O ATOM 1299 CB ASP A 83 110.660 -15.708 0.870 1.00 0.00 C ATOM 1300 CG ASP A 83 111.887 -16.433 1.427 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.790 -15.756 1.890 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.901 -17.651 1.382 1.00 0.00 O ATOM 0 H ASP A 83 108.437 -15.025 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 83 109.866 -17.408 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.919 -15.191 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.321 -14.949 1.576 1.00 0.00 H new ATOM 1307 N TYR A 84 108.369 -16.955 2.711 1.00 0.00 N ATOM 1308 CA TYR A 84 108.008 -17.660 3.969 1.00 0.00 C ATOM 1309 C TYR A 84 107.095 -18.836 3.620 1.00 0.00 C ATOM 1310 O TYR A 84 107.051 -19.828 4.320 1.00 0.00 O ATOM 1311 CB TYR A 84 107.281 -16.692 4.909 1.00 0.00 C ATOM 1312 CG TYR A 84 106.451 -17.470 5.901 1.00 0.00 C ATOM 1313 CD1 TYR A 84 105.097 -17.161 6.076 1.00 0.00 C ATOM 1314 CD2 TYR A 84 107.036 -18.501 6.647 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.327 -17.883 6.994 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.265 -19.222 7.568 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.910 -18.913 7.741 1.00 0.00 C ATOM 1318 OH TYR A 84 104.152 -19.625 8.648 1.00 0.00 O ATOM 0 H TYR A 84 107.899 -16.062 2.562 1.00 0.00 H new ATOM 0 HA TYR A 84 108.905 -18.025 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.004 -16.069 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.643 -16.022 4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.647 -16.365 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 84 108.081 -18.740 6.512 1.00 0.00 H new ATOM 0 HE1 TYR A 84 103.282 -17.645 7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.716 -20.016 8.145 1.00 0.00 H new ATOM 0 HH TYR A 84 104.711 -20.304 9.080 1.00 0.00 H new ATOM 1328 N LEU A 85 106.371 -18.733 2.534 1.00 0.00 N ATOM 1329 CA LEU A 85 105.470 -19.845 2.133 1.00 0.00 C ATOM 1330 C LEU A 85 106.023 -20.515 0.875 1.00 0.00 C ATOM 1331 O LEU A 85 105.297 -21.099 0.095 1.00 0.00 O ATOM 1332 CB LEU A 85 104.069 -19.296 1.851 1.00 0.00 C ATOM 1333 CG LEU A 85 103.032 -20.399 2.074 1.00 0.00 C ATOM 1334 CD1 LEU A 85 102.633 -20.436 3.551 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.794 -20.115 1.220 1.00 0.00 C ATOM 0 H LEU A 85 106.368 -17.925 1.911 1.00 0.00 H new ATOM 0 HA LEU A 85 105.412 -20.576 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.861 -18.449 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 85 104.010 -18.929 0.826 1.00 0.00 H new ATOM 0 HG LEU A 85 103.459 -21.360 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.894 -21.222 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.514 -20.638 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 85 102.206 -19.475 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.055 -20.900 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.368 -19.153 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.076 -20.089 0.167 1.00 0.00 H new ATOM 1347 N ASN A 86 107.308 -20.437 0.680 1.00 0.00 N ATOM 1348 CA ASN A 86 107.922 -21.069 -0.521 1.00 0.00 C ATOM 1349 C ASN A 86 107.078 -20.749 -1.757 1.00 0.00 C ATOM 1350 O ASN A 86 106.910 -21.572 -2.635 1.00 0.00 O ATOM 1351 CB ASN A 86 107.985 -22.586 -0.324 1.00 0.00 C ATOM 1352 CG ASN A 86 109.134 -23.163 -1.154 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.822 -24.064 -0.716 1.00 0.00 O ATOM 1354 ND2 ASN A 86 109.372 -22.678 -2.342 1.00 0.00 N ATOM 0 H ASN A 86 107.962 -19.962 1.302 1.00 0.00 H new ATOM 0 HA ASN A 86 108.930 -20.678 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.131 -22.820 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.041 -23.042 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 86 110.136 -23.055 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 86 108.794 -21.922 -2.709 1.00 0.00 H new ATOM 1361 N GLY A 87 106.546 -19.561 -1.832 1.00 0.00 N ATOM 1362 CA GLY A 87 105.715 -19.189 -3.011 1.00 0.00 C ATOM 1363 C GLY A 87 104.607 -20.227 -3.205 1.00 0.00 C ATOM 1364 O GLY A 87 104.214 -20.527 -4.315 1.00 0.00 O ATOM 0 H GLY A 87 106.651 -18.831 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.280 -18.200 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.337 -19.134 -3.905 1.00 0.00 H new ATOM 1368 N ARG A 88 104.099 -20.775 -2.136 1.00 0.00 N ATOM 1369 CA ARG A 88 103.016 -21.790 -2.261 1.00 0.00 C ATOM 1370 C ARG A 88 101.660 -21.084 -2.220 1.00 0.00 C ATOM 1371 O ARG A 88 100.677 -21.624 -1.753 1.00 0.00 O ATOM 1372 CB ARG A 88 103.113 -22.788 -1.105 1.00 0.00 C ATOM 1373 CG ARG A 88 102.246 -24.014 -1.409 1.00 0.00 C ATOM 1374 CD ARG A 88 102.619 -25.157 -0.462 1.00 0.00 C ATOM 1375 NE ARG A 88 103.624 -26.039 -1.118 1.00 0.00 N ATOM 1376 CZ ARG A 88 104.223 -26.973 -0.429 1.00 0.00 C ATOM 1377 NH1 ARG A 88 105.099 -27.750 -1.006 1.00 0.00 N ATOM 1378 NH2 ARG A 88 103.948 -27.126 0.838 1.00 0.00 N ATOM 0 H ARG A 88 104.387 -20.564 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 88 103.121 -22.325 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 88 104.150 -23.091 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 88 102.784 -22.319 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.191 -23.763 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 88 102.389 -24.325 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 88 103.023 -24.756 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 88 101.730 -25.732 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 88 103.845 -25.914 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 88 105.316 -27.628 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 88 105.567 -28.479 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 88 103.266 -26.516 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 88 104.415 -27.855 1.377 1.00 0.00 H new ATOM 1392 N ALA A 89 101.605 -19.877 -2.708 1.00 0.00 N ATOM 1393 CA ALA A 89 100.317 -19.126 -2.704 1.00 0.00 C ATOM 1394 C ALA A 89 100.235 -18.256 -3.959 1.00 0.00 C ATOM 1395 O ALA A 89 101.138 -18.237 -4.772 1.00 0.00 O ATOM 1396 CB ALA A 89 100.246 -18.241 -1.459 1.00 0.00 C ATOM 0 H ALA A 89 102.397 -19.376 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 89 99.484 -19.829 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.304 -17.692 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.306 -18.863 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.077 -17.536 -1.466 1.00 0.00 H new ATOM 1402 N VAL A 90 99.158 -17.536 -4.128 1.00 0.00 N ATOM 1403 CA VAL A 90 99.016 -16.671 -5.335 1.00 0.00 C ATOM 1404 C VAL A 90 98.877 -15.208 -4.907 1.00 0.00 C ATOM 1405 O VAL A 90 98.221 -14.894 -3.933 1.00 0.00 O ATOM 1406 CB VAL A 90 97.772 -17.094 -6.118 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.727 -16.342 -7.450 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.829 -18.599 -6.387 1.00 0.00 C ATOM 0 H VAL A 90 98.370 -17.510 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 90 99.899 -16.779 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 90 96.880 -16.860 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.841 -16.643 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.690 -15.269 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.619 -16.577 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.943 -18.903 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.721 -18.831 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.863 -19.137 -5.440 1.00 0.00 H new ATOM 1418 N GLN A 91 99.489 -14.310 -5.632 1.00 0.00 N ATOM 1419 CA GLN A 91 99.394 -12.867 -5.275 1.00 0.00 C ATOM 1420 C GLN A 91 98.402 -12.178 -6.213 1.00 0.00 C ATOM 1421 O GLN A 91 98.246 -12.563 -7.355 1.00 0.00 O ATOM 1422 CB GLN A 91 100.770 -12.212 -5.416 1.00 0.00 C ATOM 1423 CG GLN A 91 101.549 -12.896 -6.543 1.00 0.00 C ATOM 1424 CD GLN A 91 102.199 -14.175 -6.011 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.460 -14.292 -4.830 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.473 -15.145 -6.839 1.00 0.00 N ATOM 0 H GLN A 91 100.052 -14.515 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 91 99.052 -12.769 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.658 -11.149 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.320 -12.292 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 91 100.880 -13.132 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 91 102.312 -12.222 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 91 102.254 -15.047 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 91 102.906 -16.002 -6.495 1.00 0.00 H new ATOM 1435 N HIS A 92 97.728 -11.163 -5.743 1.00 0.00 N ATOM 1436 CA HIS A 92 96.743 -10.453 -6.608 1.00 0.00 C ATOM 1437 C HIS A 92 97.086 -8.963 -6.658 1.00 0.00 C ATOM 1438 O HIS A 92 97.135 -8.292 -5.646 1.00 0.00 O ATOM 1439 CB HIS A 92 95.337 -10.627 -6.029 1.00 0.00 C ATOM 1440 CG HIS A 92 94.948 -12.078 -6.068 1.00 0.00 C ATOM 1441 ND1 HIS A 92 93.925 -12.547 -6.881 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.427 -13.177 -5.395 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.823 -13.874 -6.680 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.714 -14.305 -5.786 1.00 0.00 N ATOM 0 H HIS A 92 97.817 -10.795 -4.796 1.00 0.00 H new ATOM 0 HA HIS A 92 96.780 -10.870 -7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.308 -10.260 -5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.622 -10.034 -6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.232 -13.166 -4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.108 -14.511 -7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.845 -15.262 -5.458 1.00 0.00 H new ATOM 1452 N ARG A 93 97.319 -8.437 -7.830 1.00 0.00 N ATOM 1453 CA ARG A 93 97.653 -6.989 -7.945 1.00 0.00 C ATOM 1454 C ARG A 93 96.363 -6.194 -8.160 1.00 0.00 C ATOM 1455 O ARG A 93 95.788 -6.206 -9.229 1.00 0.00 O ATOM 1456 CB ARG A 93 98.591 -6.770 -9.134 1.00 0.00 C ATOM 1457 CG ARG A 93 99.843 -7.639 -8.970 1.00 0.00 C ATOM 1458 CD ARG A 93 99.636 -8.981 -9.679 1.00 0.00 C ATOM 1459 NE ARG A 93 100.910 -9.753 -9.657 1.00 0.00 N ATOM 1460 CZ ARG A 93 101.123 -10.684 -10.547 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.240 -11.360 -10.529 1.00 0.00 N ATOM 1462 NH2 ARG A 93 100.219 -10.941 -11.452 1.00 0.00 N ATOM 0 H ARG A 93 97.292 -8.948 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 93 98.146 -6.654 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 93 98.081 -7.022 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 93 98.872 -5.719 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.710 -7.127 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.047 -7.803 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 93 98.846 -9.547 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 93 99.315 -8.816 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 93 101.615 -9.554 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 93 102.945 -11.161 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.407 -12.088 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 93 99.346 -10.414 -11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.386 -11.668 -12.147 1.00 0.00 H new ATOM 1476 N GLU A 94 95.903 -5.505 -7.150 1.00 0.00 N ATOM 1477 CA GLU A 94 94.647 -4.714 -7.294 1.00 0.00 C ATOM 1478 C GLU A 94 94.963 -3.220 -7.201 1.00 0.00 C ATOM 1479 O GLU A 94 95.870 -2.806 -6.504 1.00 0.00 O ATOM 1480 CB GLU A 94 93.676 -5.099 -6.177 1.00 0.00 C ATOM 1481 CG GLU A 94 93.434 -6.609 -6.208 1.00 0.00 C ATOM 1482 CD GLU A 94 92.261 -6.959 -5.292 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.293 -8.027 -4.702 1.00 0.00 O ATOM 1484 OE2 GLU A 94 91.350 -6.154 -5.194 1.00 0.00 O ATOM 0 H GLU A 94 96.343 -5.456 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 94 94.195 -4.926 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.083 -4.805 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 94 92.733 -4.566 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.222 -6.933 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.331 -7.138 -5.886 1.00 0.00 H new ATOM 1491 N VAL A 95 94.215 -2.406 -7.895 1.00 0.00 N ATOM 1492 CA VAL A 95 94.463 -0.939 -7.848 1.00 0.00 C ATOM 1493 C VAL A 95 93.150 -0.201 -8.113 1.00 0.00 C ATOM 1494 O VAL A 95 92.140 -0.802 -8.423 1.00 0.00 O ATOM 1495 CB VAL A 95 95.490 -0.556 -8.914 1.00 0.00 C ATOM 1496 CG1 VAL A 95 95.744 0.951 -8.861 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.800 -1.303 -8.652 1.00 0.00 C ATOM 0 H VAL A 95 93.441 -2.695 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 95 94.848 -0.664 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 95 95.108 -0.825 -9.899 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.476 1.224 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 95 94.812 1.484 -9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 95 96.125 1.221 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.533 -1.030 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.181 -1.034 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.620 -2.377 -8.690 1.00 0.00 H new ATOM 1507 N GLN A 96 93.150 1.099 -7.993 1.00 0.00 N ATOM 1508 CA GLN A 96 91.898 1.868 -8.238 1.00 0.00 C ATOM 1509 C GLN A 96 91.459 1.681 -9.690 1.00 0.00 C ATOM 1510 O GLN A 96 92.141 2.082 -10.613 1.00 0.00 O ATOM 1511 CB GLN A 96 92.149 3.352 -7.966 1.00 0.00 C ATOM 1512 CG GLN A 96 90.811 4.070 -7.780 1.00 0.00 C ATOM 1513 CD GLN A 96 91.045 5.582 -7.738 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.896 6.203 -6.704 1.00 0.00 O ATOM 1515 NE2 GLN A 96 91.409 6.203 -8.826 1.00 0.00 N ATOM 0 H GLN A 96 93.962 1.660 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 96 91.114 1.505 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.764 3.470 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.700 3.796 -8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 96 90.134 3.818 -8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.334 3.739 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 96 91.534 5.681 -9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 96 91.569 7.210 -8.809 1.00 0.00 H new ATOM 1524 N GLY A 97 90.323 1.075 -9.903 1.00 0.00 N ATOM 1525 CA GLY A 97 89.839 0.863 -11.295 1.00 0.00 C ATOM 1526 C GLY A 97 90.516 -0.373 -11.888 1.00 0.00 C ATOM 1527 O GLY A 97 90.443 -0.623 -13.075 1.00 0.00 O ATOM 0 H GLY A 97 89.709 0.717 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.757 0.735 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.059 1.739 -11.905 1.00 0.00 H new ATOM 1531 N PHE A 98 91.178 -1.148 -11.072 1.00 0.00 N ATOM 1532 CA PHE A 98 91.861 -2.368 -11.591 1.00 0.00 C ATOM 1533 C PHE A 98 91.530 -3.562 -10.692 1.00 0.00 C ATOM 1534 O PHE A 98 92.223 -4.560 -10.693 1.00 0.00 O ATOM 1535 CB PHE A 98 93.375 -2.142 -11.600 1.00 0.00 C ATOM 1536 CG PHE A 98 93.996 -2.915 -12.739 1.00 0.00 C ATOM 1537 CD1 PHE A 98 93.675 -2.592 -14.063 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.893 -3.955 -12.471 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.251 -3.309 -15.119 1.00 0.00 C ATOM 1540 CE2 PHE A 98 95.470 -4.672 -13.526 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.149 -4.349 -14.850 1.00 0.00 C ATOM 0 H PHE A 98 91.275 -0.989 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 98 91.517 -2.571 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.594 -1.079 -11.707 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.806 -2.463 -10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 98 92.983 -1.789 -14.270 1.00 0.00 H new ATOM 0 HD2 PHE A 98 95.140 -4.205 -11.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.003 -3.060 -16.140 1.00 0.00 H new ATOM 0 HE2 PHE A 98 96.163 -5.474 -13.319 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.594 -4.902 -15.664 1.00 0.00 H new ATOM 1551 N GLU A 99 90.479 -3.468 -9.924 1.00 0.00 N ATOM 1552 CA GLU A 99 90.107 -4.598 -9.026 1.00 0.00 C ATOM 1553 C GLU A 99 90.332 -5.925 -9.753 1.00 0.00 C ATOM 1554 O GLU A 99 90.014 -6.068 -10.917 1.00 0.00 O ATOM 1555 CB GLU A 99 88.632 -4.474 -8.635 1.00 0.00 C ATOM 1556 CG GLU A 99 88.365 -3.074 -8.078 1.00 0.00 C ATOM 1557 CD GLU A 99 88.083 -2.111 -9.232 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.302 -2.468 -10.099 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.652 -1.032 -9.231 1.00 0.00 O ATOM 0 H GLU A 99 89.862 -2.657 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 99 90.725 -4.567 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 99 87.999 -4.658 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.378 -5.228 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 99 87.516 -3.099 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.225 -2.729 -7.504 1.00 0.00 H new ATOM 1566 N SER A 100 90.881 -6.898 -9.078 1.00 0.00 N ATOM 1567 CA SER A 100 91.129 -8.214 -9.731 1.00 0.00 C ATOM 1568 C SER A 100 89.795 -8.907 -10.015 1.00 0.00 C ATOM 1569 O SER A 100 88.760 -8.510 -9.515 1.00 0.00 O ATOM 1570 CB SER A 100 91.970 -9.092 -8.802 1.00 0.00 C ATOM 1571 OG SER A 100 91.554 -10.445 -8.932 1.00 0.00 O ATOM 0 H SER A 100 91.169 -6.838 -8.101 1.00 0.00 H new ATOM 0 HA SER A 100 91.662 -8.057 -10.669 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.027 -8.999 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.857 -8.762 -7.769 1.00 0.00 H new ATOM 0 HG SER A 100 91.699 -10.915 -8.084 1.00 0.00 H new ATOM 1577 N ALA A 101 89.809 -9.940 -10.812 1.00 0.00 N ATOM 1578 CA ALA A 101 88.541 -10.658 -11.128 1.00 0.00 C ATOM 1579 C ALA A 101 88.007 -11.331 -9.861 1.00 0.00 C ATOM 1580 O ALA A 101 86.950 -10.993 -9.366 1.00 0.00 O ATOM 1581 CB ALA A 101 88.806 -11.720 -12.196 1.00 0.00 C ATOM 0 H ALA A 101 90.644 -10.318 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 101 87.805 -9.946 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.878 -12.244 -12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 101 89.186 -11.241 -13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.543 -12.433 -11.826 1.00 0.00 H new ATOM 1587 N THR A 102 88.729 -12.280 -9.331 1.00 0.00 N ATOM 1588 CA THR A 102 88.258 -12.968 -8.097 1.00 0.00 C ATOM 1589 C THR A 102 87.798 -11.921 -7.082 1.00 0.00 C ATOM 1590 O THR A 102 86.685 -11.956 -6.598 1.00 0.00 O ATOM 1591 CB THR A 102 89.402 -13.790 -7.499 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.621 -14.944 -8.298 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.040 -14.214 -6.074 1.00 0.00 C ATOM 0 H THR A 102 89.622 -12.608 -9.698 1.00 0.00 H new ATOM 0 HA THR A 102 87.428 -13.631 -8.343 1.00 0.00 H new ATOM 0 HB THR A 102 90.309 -13.186 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.355 -15.471 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.856 -14.799 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.873 -13.328 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.133 -14.818 -6.093 1.00 0.00 H new ATOM 1601 N PHE A 103 88.649 -10.990 -6.762 1.00 0.00 N ATOM 1602 CA PHE A 103 88.270 -9.935 -5.780 1.00 0.00 C ATOM 1603 C PHE A 103 86.931 -9.318 -6.192 1.00 0.00 C ATOM 1604 O PHE A 103 86.050 -9.122 -5.378 1.00 0.00 O ATOM 1605 CB PHE A 103 89.352 -8.850 -5.757 1.00 0.00 C ATOM 1606 CG PHE A 103 89.442 -8.253 -4.372 1.00 0.00 C ATOM 1607 CD1 PHE A 103 88.966 -6.957 -4.136 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.002 -8.995 -3.326 1.00 0.00 C ATOM 1609 CE1 PHE A 103 89.052 -6.404 -2.853 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.087 -8.441 -2.043 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.612 -7.146 -1.807 1.00 0.00 C ATOM 0 H PHE A 103 89.594 -10.912 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 103 88.177 -10.374 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.314 -9.275 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 103 89.117 -8.073 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 103 88.533 -6.385 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.368 -9.994 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 103 88.686 -5.404 -2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 103 90.519 -9.013 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.678 -6.719 -0.817 1.00 0.00 H new ATOM 1621 N LEU A 104 86.771 -9.009 -7.451 1.00 0.00 N ATOM 1622 CA LEU A 104 85.488 -8.406 -7.912 1.00 0.00 C ATOM 1623 C LEU A 104 84.336 -9.360 -7.595 1.00 0.00 C ATOM 1624 O LEU A 104 83.222 -8.943 -7.345 1.00 0.00 O ATOM 1625 CB LEU A 104 85.550 -8.164 -9.423 1.00 0.00 C ATOM 1626 CG LEU A 104 86.116 -6.770 -9.697 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.751 -6.738 -11.089 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.986 -5.739 -9.629 1.00 0.00 C ATOM 0 H LEU A 104 87.472 -9.148 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 104 85.327 -7.457 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.175 -8.921 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.554 -8.255 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 104 86.872 -6.533 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.154 -5.744 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.556 -7.472 -11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.996 -6.976 -11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.388 -4.745 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.230 -5.978 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.534 -5.759 -8.637 1.00 0.00 H new ATOM 1640 N GLY A 105 84.595 -10.639 -7.601 1.00 0.00 N ATOM 1641 CA GLY A 105 83.515 -11.619 -7.298 1.00 0.00 C ATOM 1642 C GLY A 105 83.480 -11.888 -5.793 1.00 0.00 C ATOM 1643 O GLY A 105 82.496 -12.362 -5.260 1.00 0.00 O ATOM 0 H GLY A 105 85.508 -11.047 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.553 -11.231 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.689 -12.548 -7.841 1.00 0.00 H new ATOM 1647 N TYR A 106 84.546 -11.586 -5.104 1.00 0.00 N ATOM 1648 CA TYR A 106 84.575 -11.823 -3.634 1.00 0.00 C ATOM 1649 C TYR A 106 83.762 -10.738 -2.927 1.00 0.00 C ATOM 1650 O TYR A 106 83.228 -10.946 -1.855 1.00 0.00 O ATOM 1651 CB TYR A 106 86.023 -11.780 -3.139 1.00 0.00 C ATOM 1652 CG TYR A 106 86.102 -12.383 -1.759 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.190 -11.551 -0.636 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.089 -13.774 -1.600 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.264 -12.111 0.646 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.164 -14.334 -0.319 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.250 -13.501 0.804 1.00 0.00 C ATOM 1658 OH TYR A 106 86.323 -14.052 2.067 1.00 0.00 O ATOM 0 H TYR A 106 85.398 -11.185 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 106 84.145 -12.800 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.669 -12.329 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.381 -10.751 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.201 -10.478 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.021 -14.415 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.332 -11.470 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.156 -15.407 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 106 86.300 -15.029 1.999 1.00 0.00 H new ATOM 1668 N PHE A 107 83.664 -9.578 -3.517 1.00 0.00 N ATOM 1669 CA PHE A 107 82.887 -8.478 -2.879 1.00 0.00 C ATOM 1670 C PHE A 107 81.587 -9.041 -2.298 1.00 0.00 C ATOM 1671 O PHE A 107 80.814 -9.681 -2.984 1.00 0.00 O ATOM 1672 CB PHE A 107 82.563 -7.407 -3.925 1.00 0.00 C ATOM 1673 CG PHE A 107 81.367 -7.837 -4.743 1.00 0.00 C ATOM 1674 CD1 PHE A 107 81.393 -9.050 -5.440 1.00 0.00 C ATOM 1675 CD2 PHE A 107 80.231 -7.019 -4.805 1.00 0.00 C ATOM 1676 CE1 PHE A 107 80.284 -9.447 -6.198 1.00 0.00 C ATOM 1677 CE2 PHE A 107 79.124 -7.415 -5.563 1.00 0.00 C ATOM 1678 CZ PHE A 107 79.150 -8.629 -6.260 1.00 0.00 C ATOM 0 H PHE A 107 84.089 -9.344 -4.414 1.00 0.00 H new ATOM 0 HA PHE A 107 83.477 -8.033 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 107 82.356 -6.456 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.423 -7.249 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.269 -9.681 -5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 107 80.210 -6.083 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 107 80.304 -10.384 -6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 107 78.249 -6.784 -5.611 1.00 0.00 H new ATOM 0 HZ PHE A 107 78.295 -8.934 -6.845 1.00 0.00 H new ATOM 1688 N LYS A 108 81.340 -8.808 -1.036 1.00 0.00 N ATOM 1689 CA LYS A 108 80.091 -9.328 -0.410 1.00 0.00 C ATOM 1690 C LYS A 108 79.160 -8.158 -0.083 1.00 0.00 C ATOM 1691 O LYS A 108 77.984 -8.184 -0.389 1.00 0.00 O ATOM 1692 CB LYS A 108 80.442 -10.074 0.880 1.00 0.00 C ATOM 1693 CG LYS A 108 80.974 -11.466 0.535 1.00 0.00 C ATOM 1694 CD LYS A 108 81.167 -12.273 1.820 1.00 0.00 C ATOM 1695 CE LYS A 108 81.975 -13.535 1.513 1.00 0.00 C ATOM 1696 NZ LYS A 108 83.425 -13.199 1.471 1.00 0.00 N ATOM 0 H LYS A 108 81.950 -8.280 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 108 79.593 -10.008 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 108 81.190 -9.516 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.561 -10.157 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 108 80.277 -11.979 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 108 81.920 -11.383 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 108 81.684 -11.670 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 108 80.199 -12.542 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 108 81.788 -14.293 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 108 81.661 -13.957 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 83.907 -13.827 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 83.544 -12.211 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 83.838 -13.325 2.417 1.00 0.00 H new ATOM 1710 N SER A 109 79.676 -7.131 0.534 1.00 0.00 N ATOM 1711 CA SER A 109 78.820 -5.962 0.878 1.00 0.00 C ATOM 1712 C SER A 109 78.972 -4.884 -0.197 1.00 0.00 C ATOM 1713 O SER A 109 78.068 -4.109 -0.443 1.00 0.00 O ATOM 1714 CB SER A 109 79.251 -5.396 2.232 1.00 0.00 C ATOM 1715 OG SER A 109 79.153 -6.414 3.219 1.00 0.00 O ATOM 0 H SER A 109 80.653 -7.051 0.815 1.00 0.00 H new ATOM 0 HA SER A 109 77.778 -6.278 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 109 80.275 -5.026 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 109 78.620 -4.549 2.503 1.00 0.00 H new ATOM 0 HG SER A 109 79.430 -6.055 4.088 1.00 0.00 H new ATOM 1721 N GLY A 110 80.107 -4.828 -0.840 1.00 0.00 N ATOM 1722 CA GLY A 110 80.319 -3.801 -1.900 1.00 0.00 C ATOM 1723 C GLY A 110 81.567 -2.978 -1.572 1.00 0.00 C ATOM 1724 O GLY A 110 81.594 -2.231 -0.614 1.00 0.00 O ATOM 0 H GLY A 110 80.898 -5.451 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.433 -4.283 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.448 -3.149 -1.969 1.00 0.00 H new ATOM 1728 N LEU A 111 82.598 -3.107 -2.361 1.00 0.00 N ATOM 1729 CA LEU A 111 83.842 -2.332 -2.094 1.00 0.00 C ATOM 1730 C LEU A 111 83.518 -0.835 -2.081 1.00 0.00 C ATOM 1731 O LEU A 111 82.400 -0.431 -2.330 1.00 0.00 O ATOM 1732 CB LEU A 111 84.868 -2.621 -3.193 1.00 0.00 C ATOM 1733 CG LEU A 111 85.135 -4.125 -3.260 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.697 -4.484 -4.637 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.149 -4.512 -2.180 1.00 0.00 C ATOM 0 H LEU A 111 82.633 -3.716 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 111 84.252 -2.624 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 111 84.498 -2.264 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.795 -2.085 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 111 84.203 -4.666 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.887 -5.556 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 111 84.976 -4.209 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.629 -3.943 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 111 86.340 -5.584 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.080 -3.970 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 111 85.750 -4.258 -1.198 1.00 0.00 H new ATOM 1747 N LYS A 112 84.489 -0.012 -1.794 1.00 0.00 N ATOM 1748 CA LYS A 112 84.234 1.457 -1.766 1.00 0.00 C ATOM 1749 C LYS A 112 85.564 2.204 -1.907 1.00 0.00 C ATOM 1750 O LYS A 112 86.471 2.031 -1.117 1.00 0.00 O ATOM 1751 CB LYS A 112 83.569 1.833 -0.435 1.00 0.00 C ATOM 1752 CG LYS A 112 82.115 2.248 -0.684 1.00 0.00 C ATOM 1753 CD LYS A 112 81.519 2.813 0.605 1.00 0.00 C ATOM 1754 CE LYS A 112 80.271 3.633 0.276 1.00 0.00 C ATOM 1755 NZ LYS A 112 79.390 3.705 1.475 1.00 0.00 N ATOM 0 H LYS A 112 85.446 -0.292 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 112 83.575 1.732 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.604 0.987 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.115 2.650 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.069 2.995 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.533 1.390 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 112 81.264 2.001 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.253 3.437 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 112 80.556 4.637 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 112 79.733 3.178 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 78.542 4.263 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 79.108 2.744 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.904 4.158 2.257 1.00 0.00 H new ATOM 1769 N TYR A 113 85.683 3.038 -2.905 1.00 0.00 N ATOM 1770 CA TYR A 113 86.950 3.800 -3.097 1.00 0.00 C ATOM 1771 C TYR A 113 86.728 5.263 -2.706 1.00 0.00 C ATOM 1772 O TYR A 113 85.688 5.833 -2.966 1.00 0.00 O ATOM 1773 CB TYR A 113 87.373 3.723 -4.565 1.00 0.00 C ATOM 1774 CG TYR A 113 87.010 2.369 -5.125 1.00 0.00 C ATOM 1775 CD1 TYR A 113 86.086 2.268 -6.171 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.595 1.212 -4.596 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.749 1.013 -6.691 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.258 -0.044 -5.115 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.334 -0.143 -6.163 1.00 0.00 C ATOM 1780 OH TYR A 113 86.003 -1.382 -6.673 1.00 0.00 O ATOM 0 H TYR A 113 84.956 3.224 -3.596 1.00 0.00 H new ATOM 0 HA TYR A 113 87.732 3.371 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 113 86.880 4.509 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 113 88.447 3.889 -4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 113 85.632 3.160 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.307 1.288 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 113 85.037 0.937 -7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.710 -0.936 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 113 85.769 -1.294 -7.621 1.00 0.00 H new ATOM 1790 N LYS A 114 87.698 5.874 -2.083 1.00 0.00 N ATOM 1791 CA LYS A 114 87.539 7.299 -1.677 1.00 0.00 C ATOM 1792 C LYS A 114 88.894 8.009 -1.771 1.00 0.00 C ATOM 1793 O LYS A 114 89.877 7.568 -1.207 1.00 0.00 O ATOM 1794 CB LYS A 114 87.023 7.364 -0.233 1.00 0.00 C ATOM 1795 CG LYS A 114 85.568 7.840 -0.225 1.00 0.00 C ATOM 1796 CD LYS A 114 85.526 9.358 -0.414 1.00 0.00 C ATOM 1797 CE LYS A 114 84.134 9.776 -0.894 1.00 0.00 C ATOM 1798 NZ LYS A 114 84.151 11.218 -1.266 1.00 0.00 N ATOM 0 H LYS A 114 88.592 5.449 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 114 86.826 7.790 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.097 6.382 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 114 87.641 8.043 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 114 85.009 7.348 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.090 7.567 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 114 85.764 9.858 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.280 9.666 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 114 83.836 9.172 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 114 83.399 9.600 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 83.206 11.503 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 84.418 11.787 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 84.841 11.372 -2.028 1.00 0.00 H new ATOM 1812 N LYS A 115 88.952 9.103 -2.481 1.00 0.00 N ATOM 1813 CA LYS A 115 90.239 9.844 -2.614 1.00 0.00 C ATOM 1814 C LYS A 115 90.116 11.207 -1.929 1.00 0.00 C ATOM 1815 O LYS A 115 89.166 11.934 -2.142 1.00 0.00 O ATOM 1816 CB LYS A 115 90.559 10.046 -4.096 1.00 0.00 C ATOM 1817 CG LYS A 115 89.567 11.042 -4.701 1.00 0.00 C ATOM 1818 CD LYS A 115 89.482 10.823 -6.213 1.00 0.00 C ATOM 1819 CE LYS A 115 88.860 12.056 -6.873 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.858 13.162 -6.898 1.00 0.00 N ATOM 0 H LYS A 115 88.162 9.516 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 115 91.038 9.272 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 115 91.578 10.415 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.503 9.094 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.584 10.913 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 115 89.884 12.063 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 115 90.476 10.641 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 115 88.882 9.939 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.541 11.817 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.971 12.366 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 89.603 13.843 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 89.866 13.643 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 90.802 12.773 -7.094 1.00 0.00 H new ATOM 1834 N GLY A 116 91.066 11.559 -1.108 1.00 0.00 N ATOM 1835 CA GLY A 116 91.000 12.875 -0.412 1.00 0.00 C ATOM 1836 C GLY A 116 92.031 12.909 0.719 1.00 0.00 C ATOM 1837 O GLY A 116 92.837 13.813 0.809 1.00 0.00 O ATOM 0 H GLY A 116 91.885 10.992 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 116 91.194 13.682 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 116 89.999 13.036 -0.011 1.00 0.00 H new ATOM 1841 N GLY A 117 92.011 11.929 1.582 1.00 0.00 N ATOM 1842 CA GLY A 117 92.991 11.906 2.705 1.00 0.00 C ATOM 1843 C GLY A 117 92.331 12.460 3.970 1.00 0.00 C ATOM 1844 O GLY A 117 92.995 12.934 4.871 1.00 0.00 O ATOM 0 H GLY A 117 91.359 11.145 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 117 93.337 10.887 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 117 93.868 12.501 2.449 1.00 0.00 H new ATOM 1848 N VAL A 118 91.030 12.402 4.044 1.00 0.00 N ATOM 1849 CA VAL A 118 90.329 12.925 5.252 1.00 0.00 C ATOM 1850 C VAL A 118 89.095 12.067 5.537 1.00 0.00 C ATOM 1851 O VAL A 118 88.525 11.469 4.647 1.00 0.00 O ATOM 1852 CB VAL A 118 89.899 14.372 5.006 1.00 0.00 C ATOM 1853 CG1 VAL A 118 91.137 15.240 4.767 1.00 0.00 C ATOM 1854 CG2 VAL A 118 88.992 14.431 3.774 1.00 0.00 C ATOM 0 H VAL A 118 90.422 12.016 3.322 1.00 0.00 H new ATOM 0 HA VAL A 118 91.003 12.887 6.108 1.00 0.00 H new ATOM 0 HB VAL A 118 89.358 14.743 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 118 90.830 16.271 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 118 91.785 15.198 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 118 91.678 14.870 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 118 88.685 15.462 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 118 89.535 14.060 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 118 88.110 13.813 3.942 1.00 0.00 H new ATOM 1864 N ALA A 119 88.678 12.004 6.772 1.00 0.00 N ATOM 1865 CA ALA A 119 87.481 11.186 7.113 1.00 0.00 C ATOM 1866 C ALA A 119 86.717 11.853 8.258 1.00 0.00 C ATOM 1867 O ALA A 119 85.731 12.531 8.048 1.00 0.00 O ATOM 1868 CB ALA A 119 87.926 9.787 7.544 1.00 0.00 C ATOM 0 H ALA A 119 89.115 12.484 7.559 1.00 0.00 H new ATOM 0 HA ALA A 119 86.833 11.109 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 119 87.051 9.188 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 119 88.471 9.311 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 119 88.574 9.864 8.417 1.00 0.00 H new ATOM 1874 N SER A 120 87.163 11.666 9.471 1.00 0.00 N ATOM 1875 CA SER A 120 86.461 12.291 10.627 1.00 0.00 C ATOM 1876 C SER A 120 87.482 12.648 11.710 1.00 0.00 C ATOM 1877 O SER A 120 88.639 12.888 11.430 1.00 0.00 O ATOM 1878 CB SER A 120 85.439 11.305 11.195 1.00 0.00 C ATOM 1879 OG SER A 120 84.829 10.594 10.127 1.00 0.00 O ATOM 0 H SER A 120 87.982 11.108 9.711 1.00 0.00 H new ATOM 0 HA SER A 120 85.949 13.195 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 120 85.928 10.610 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 120 84.683 11.839 11.771 1.00 0.00 H new ATOM 0 HG SER A 120 84.174 9.960 10.488 1.00 0.00 H new ATOM 1885 N GLY A 121 87.061 12.687 12.945 1.00 0.00 N ATOM 1886 CA GLY A 121 88.007 13.029 14.044 1.00 0.00 C ATOM 1887 C GLY A 121 87.293 12.896 15.391 1.00 0.00 C ATOM 1888 O GLY A 121 86.090 12.742 15.453 1.00 0.00 O ATOM 0 H GLY A 121 86.103 12.497 13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 121 88.873 12.367 14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 121 88.378 14.046 13.916 1.00 0.00 H new ATOM 1892 N PHE A 122 88.026 12.956 16.469 1.00 0.00 N ATOM 1893 CA PHE A 122 87.390 12.833 17.810 1.00 0.00 C ATOM 1894 C PHE A 122 87.083 14.228 18.358 1.00 0.00 C ATOM 1895 O PHE A 122 87.751 15.191 18.038 1.00 0.00 O ATOM 1896 CB PHE A 122 88.342 12.106 18.764 1.00 0.00 C ATOM 1897 CG PHE A 122 88.142 10.615 18.636 1.00 0.00 C ATOM 1898 CD1 PHE A 122 87.161 9.972 19.402 1.00 0.00 C ATOM 1899 CD2 PHE A 122 88.937 9.874 17.753 1.00 0.00 C ATOM 1900 CE1 PHE A 122 86.976 8.590 19.285 1.00 0.00 C ATOM 1901 CE2 PHE A 122 88.751 8.491 17.635 1.00 0.00 C ATOM 1902 CZ PHE A 122 87.771 7.849 18.401 1.00 0.00 C ATOM 0 H PHE A 122 89.038 13.085 16.478 1.00 0.00 H new ATOM 0 HA PHE A 122 86.464 12.265 17.722 1.00 0.00 H new ATOM 0 HB2 PHE A 122 89.375 12.366 18.532 1.00 0.00 H new ATOM 0 HB3 PHE A 122 88.156 12.422 19.791 1.00 0.00 H new ATOM 0 HD1 PHE A 122 86.547 10.543 20.083 1.00 0.00 H new ATOM 0 HD2 PHE A 122 89.694 10.369 17.163 1.00 0.00 H new ATOM 0 HE1 PHE A 122 86.220 8.094 19.876 1.00 0.00 H new ATOM 0 HE2 PHE A 122 89.364 7.920 16.953 1.00 0.00 H new ATOM 0 HZ PHE A 122 87.628 6.782 18.311 1.00 0.00 H new ATOM 1912 N LYS A 123 86.079 14.342 19.183 1.00 0.00 N ATOM 1913 CA LYS A 123 85.731 15.676 19.752 1.00 0.00 C ATOM 1914 C LYS A 123 84.949 15.483 21.053 1.00 0.00 C ATOM 1915 O LYS A 123 85.250 16.087 22.064 1.00 0.00 O ATOM 1916 CB LYS A 123 84.871 16.449 18.750 1.00 0.00 C ATOM 1917 CG LYS A 123 84.314 17.707 19.420 1.00 0.00 C ATOM 1918 CD LYS A 123 83.781 18.664 18.349 1.00 0.00 C ATOM 1919 CE LYS A 123 84.914 19.565 17.855 1.00 0.00 C ATOM 1920 NZ LYS A 123 85.437 20.374 18.992 1.00 0.00 N ATOM 0 H LYS A 123 85.485 13.571 19.488 1.00 0.00 H new ATOM 0 HA LYS A 123 86.644 16.236 19.954 1.00 0.00 H new ATOM 0 HB2 LYS A 123 85.466 16.721 17.878 1.00 0.00 H new ATOM 0 HB3 LYS A 123 84.054 15.821 18.395 1.00 0.00 H new ATOM 0 HG2 LYS A 123 83.516 17.440 20.113 1.00 0.00 H new ATOM 0 HG3 LYS A 123 85.093 18.196 20.004 1.00 0.00 H new ATOM 0 HD2 LYS A 123 83.364 18.098 17.516 1.00 0.00 H new ATOM 0 HD3 LYS A 123 82.973 19.270 18.759 1.00 0.00 H new ATOM 0 HE2 LYS A 123 85.714 18.960 17.427 1.00 0.00 H new ATOM 0 HE3 LYS A 123 84.552 20.222 17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 85.526 21.368 18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 84.781 20.308 19.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 86.370 20.012 19.276 1.00 0.00 H new ATOM 1934 N HIS A 124 83.949 14.644 21.038 1.00 0.00 N ATOM 1935 CA HIS A 124 83.151 14.414 22.275 1.00 0.00 C ATOM 1936 C HIS A 124 84.030 13.729 23.324 1.00 0.00 C ATOM 1937 O HIS A 124 84.525 12.638 23.118 1.00 0.00 O ATOM 1938 CB HIS A 124 81.948 13.521 21.946 1.00 0.00 C ATOM 1939 CG HIS A 124 80.692 14.350 21.919 1.00 0.00 C ATOM 1940 ND1 HIS A 124 79.848 14.378 20.817 1.00 0.00 N ATOM 1941 CD2 HIS A 124 80.123 15.183 22.850 1.00 0.00 C ATOM 1942 CE1 HIS A 124 78.827 15.205 21.111 1.00 0.00 C ATOM 1943 NE2 HIS A 124 78.948 15.719 22.337 1.00 0.00 N ATOM 0 H HIS A 124 83.651 14.108 20.223 1.00 0.00 H new ATOM 0 HA HIS A 124 82.796 15.367 22.666 1.00 0.00 H new ATOM 0 HB2 HIS A 124 82.096 13.036 20.981 1.00 0.00 H new ATOM 0 HB3 HIS A 124 81.857 12.729 22.690 1.00 0.00 H new ATOM 0 HD2 HIS A 124 80.526 15.390 23.830 1.00 0.00 H new ATOM 0 HE1 HIS A 124 78.011 15.425 20.438 1.00 0.00 H new ATOM 0 HE2 HIS A 124 78.312 16.368 22.800 1.00 0.00 H new ATOM 1951 N VAL A 125 84.227 14.362 24.449 1.00 0.00 N ATOM 1952 CA VAL A 125 85.074 13.746 25.510 1.00 0.00 C ATOM 1953 C VAL A 125 84.207 12.849 26.397 1.00 0.00 C ATOM 1954 O VAL A 125 84.472 11.673 26.551 1.00 0.00 O ATOM 1955 CB VAL A 125 85.703 14.848 26.363 1.00 0.00 C ATOM 1956 CG1 VAL A 125 86.435 14.220 27.550 1.00 0.00 C ATOM 1957 CG2 VAL A 125 86.698 15.644 25.515 1.00 0.00 C ATOM 0 H VAL A 125 83.839 15.277 24.679 1.00 0.00 H new ATOM 0 HA VAL A 125 85.861 13.150 25.047 1.00 0.00 H new ATOM 0 HB VAL A 125 84.922 15.514 26.729 1.00 0.00 H new ATOM 0 HG11 VAL A 125 86.883 15.006 28.158 1.00 0.00 H new ATOM 0 HG12 VAL A 125 85.728 13.652 28.155 1.00 0.00 H new ATOM 0 HG13 VAL A 125 87.216 13.554 27.184 1.00 0.00 H new ATOM 0 HG21 VAL A 125 87.147 16.430 26.123 1.00 0.00 H new ATOM 0 HG22 VAL A 125 87.479 14.978 25.149 1.00 0.00 H new ATOM 0 HG23 VAL A 125 86.178 16.092 24.669 1.00 0.00 H new ATOM 1967 N VAL A 126 83.175 13.392 26.980 1.00 0.00 N ATOM 1968 CA VAL A 126 82.294 12.568 27.854 1.00 0.00 C ATOM 1969 C VAL A 126 81.881 11.296 27.106 1.00 0.00 C ATOM 1970 O VAL A 126 81.737 11.301 25.899 1.00 0.00 O ATOM 1971 CB VAL A 126 81.046 13.372 28.222 1.00 0.00 C ATOM 1972 CG1 VAL A 126 81.459 14.665 28.925 1.00 0.00 C ATOM 1973 CG2 VAL A 126 80.266 13.709 26.949 1.00 0.00 C ATOM 0 H VAL A 126 82.903 14.371 26.889 1.00 0.00 H new ATOM 0 HA VAL A 126 82.832 12.297 28.762 1.00 0.00 H new ATOM 0 HB VAL A 126 80.417 12.783 28.890 1.00 0.00 H new ATOM 0 HG11 VAL A 126 80.569 15.237 29.187 1.00 0.00 H new ATOM 0 HG12 VAL A 126 82.015 14.425 29.831 1.00 0.00 H new ATOM 0 HG13 VAL A 126 82.088 15.256 28.259 1.00 0.00 H new ATOM 0 HG21 VAL A 126 79.376 14.282 27.209 1.00 0.00 H new ATOM 0 HG22 VAL A 126 80.895 14.298 26.282 1.00 0.00 H new ATOM 0 HG23 VAL A 126 79.971 12.787 26.448 1.00 0.00 H new ATOM 1983 N PRO A 127 81.691 10.214 27.817 1.00 0.00 N ATOM 1984 CA PRO A 127 81.285 8.913 27.208 1.00 0.00 C ATOM 1985 C PRO A 127 79.834 8.933 26.718 1.00 0.00 C ATOM 1986 O PRO A 127 79.132 9.914 26.866 1.00 0.00 O ATOM 1987 CB PRO A 127 81.451 7.909 28.350 1.00 0.00 C ATOM 1988 CG PRO A 127 81.327 8.710 29.603 1.00 0.00 C ATOM 1989 CD PRO A 127 81.841 10.112 29.278 1.00 0.00 C ATOM 0 HA PRO A 127 81.882 8.673 26.329 1.00 0.00 H new ATOM 0 HB2 PRO A 127 80.688 7.132 28.304 1.00 0.00 H new ATOM 0 HB3 PRO A 127 82.419 7.410 28.297 1.00 0.00 H new ATOM 0 HG2 PRO A 127 80.291 8.746 29.939 1.00 0.00 H new ATOM 0 HG3 PRO A 127 81.908 8.261 30.409 1.00 0.00 H new ATOM 0 HD2 PRO A 127 81.263 10.879 29.794 1.00 0.00 H new ATOM 0 HD3 PRO A 127 82.880 10.237 29.583 1.00 0.00 H new ATOM 1997 N ASN A 128 79.379 7.856 26.138 1.00 0.00 N ATOM 1998 CA ASN A 128 77.976 7.812 25.642 1.00 0.00 C ATOM 1999 C ASN A 128 77.018 7.761 26.832 1.00 0.00 C ATOM 2000 O ASN A 128 76.363 8.731 27.158 1.00 0.00 O ATOM 2001 CB ASN A 128 77.779 6.569 24.774 1.00 0.00 C ATOM 2002 CG ASN A 128 79.025 6.341 23.917 1.00 0.00 C ATOM 2003 OD1 ASN A 128 79.995 5.771 24.377 1.00 0.00 O ATOM 2004 ND2 ASN A 128 79.041 6.766 22.684 1.00 0.00 N ATOM 0 H ASN A 128 79.920 7.004 25.987 1.00 0.00 H new ATOM 0 HA ASN A 128 77.772 8.703 25.049 1.00 0.00 H new ATOM 0 HB2 ASN A 128 77.594 5.699 25.404 1.00 0.00 H new ATOM 0 HB3 ASN A 128 76.904 6.693 24.136 1.00 0.00 H new ATOM 0 HD21 ASN A 128 79.868 6.620 22.105 1.00 0.00 H new ATOM 0 HD22 ASN A 128 78.227 7.244 22.299 1.00 0.00 H new ATOM 2011 N GLU A 129 76.935 6.636 27.482 1.00 0.00 N ATOM 2012 CA GLU A 129 76.023 6.511 28.654 1.00 0.00 C ATOM 2013 C GLU A 129 76.780 5.878 29.822 1.00 0.00 C ATOM 2014 O GLU A 129 77.702 5.110 29.635 1.00 0.00 O ATOM 2015 CB GLU A 129 74.826 5.630 28.280 1.00 0.00 C ATOM 2016 CG GLU A 129 73.684 6.508 27.767 1.00 0.00 C ATOM 2017 CD GLU A 129 72.878 7.042 28.952 1.00 0.00 C ATOM 2018 OE1 GLU A 129 73.017 8.214 29.259 1.00 0.00 O ATOM 2019 OE2 GLU A 129 72.134 6.267 29.534 1.00 0.00 O ATOM 0 H GLU A 129 77.461 5.793 27.252 1.00 0.00 H new ATOM 0 HA GLU A 129 75.667 7.499 28.945 1.00 0.00 H new ATOM 0 HB2 GLU A 129 75.116 4.910 27.515 1.00 0.00 H new ATOM 0 HB3 GLU A 129 74.497 5.058 29.148 1.00 0.00 H new ATOM 0 HG2 GLU A 129 74.083 7.337 27.182 1.00 0.00 H new ATOM 0 HG3 GLU A 129 73.038 5.932 27.104 1.00 0.00 H new ATOM 2026 N VAL A 130 76.398 6.194 31.029 1.00 0.00 N ATOM 2027 CA VAL A 130 77.096 5.609 32.209 1.00 0.00 C ATOM 2028 C VAL A 130 76.779 4.114 32.299 1.00 0.00 C ATOM 2029 O VAL A 130 75.717 3.671 31.908 1.00 0.00 O ATOM 2030 CB VAL A 130 76.621 6.308 33.483 1.00 0.00 C ATOM 2031 CG1 VAL A 130 77.127 5.543 34.707 1.00 0.00 C ATOM 2032 CG2 VAL A 130 77.172 7.737 33.513 1.00 0.00 C ATOM 0 H VAL A 130 75.633 6.832 31.249 1.00 0.00 H new ATOM 0 HA VAL A 130 78.172 5.747 32.099 1.00 0.00 H new ATOM 0 HB VAL A 130 75.531 6.335 33.498 1.00 0.00 H new ATOM 0 HG11 VAL A 130 76.788 6.043 35.614 1.00 0.00 H new ATOM 0 HG12 VAL A 130 76.738 4.525 34.686 1.00 0.00 H new ATOM 0 HG13 VAL A 130 78.217 5.515 34.694 1.00 0.00 H new ATOM 0 HG21 VAL A 130 76.835 8.238 34.420 1.00 0.00 H new ATOM 0 HG22 VAL A 130 78.261 7.707 33.498 1.00 0.00 H new ATOM 0 HG23 VAL A 130 76.812 8.284 32.642 1.00 0.00 H new ATOM 2042 N VAL A 131 77.691 3.334 32.810 1.00 0.00 N ATOM 2043 CA VAL A 131 77.440 1.870 32.924 1.00 0.00 C ATOM 2044 C VAL A 131 76.013 1.633 33.423 1.00 0.00 C ATOM 2045 O VAL A 131 75.630 2.095 34.480 1.00 0.00 O ATOM 2046 CB VAL A 131 78.433 1.258 33.912 1.00 0.00 C ATOM 2047 CG1 VAL A 131 78.183 -0.248 34.022 1.00 0.00 C ATOM 2048 CG2 VAL A 131 79.860 1.502 33.420 1.00 0.00 C ATOM 0 H VAL A 131 78.599 3.647 33.153 1.00 0.00 H new ATOM 0 HA VAL A 131 77.565 1.404 31.947 1.00 0.00 H new ATOM 0 HB VAL A 131 78.302 1.721 34.890 1.00 0.00 H new ATOM 0 HG11 VAL A 131 78.891 -0.684 34.727 1.00 0.00 H new ATOM 0 HG12 VAL A 131 77.166 -0.423 34.374 1.00 0.00 H new ATOM 0 HG13 VAL A 131 78.313 -0.711 33.044 1.00 0.00 H new ATOM 0 HG21 VAL A 131 80.568 1.065 34.125 1.00 0.00 H new ATOM 0 HG22 VAL A 131 79.991 1.041 32.441 1.00 0.00 H new ATOM 0 HG23 VAL A 131 80.040 2.574 33.343 1.00 0.00 H new ATOM 2058 N VAL A 132 75.223 0.917 32.671 1.00 0.00 N ATOM 2059 CA VAL A 132 73.822 0.650 33.104 1.00 0.00 C ATOM 2060 C VAL A 132 73.822 0.153 34.551 1.00 0.00 C ATOM 2061 O VAL A 132 74.557 -0.745 34.909 1.00 0.00 O ATOM 2062 CB VAL A 132 73.202 -0.416 32.198 1.00 0.00 C ATOM 2063 CG1 VAL A 132 73.934 -1.745 32.399 1.00 0.00 C ATOM 2064 CG2 VAL A 132 71.723 -0.590 32.555 1.00 0.00 C ATOM 0 H VAL A 132 75.487 0.505 31.776 1.00 0.00 H new ATOM 0 HA VAL A 132 73.239 1.568 33.035 1.00 0.00 H new ATOM 0 HB VAL A 132 73.292 -0.105 31.157 1.00 0.00 H new ATOM 0 HG11 VAL A 132 73.493 -2.505 31.754 1.00 0.00 H new ATOM 0 HG12 VAL A 132 74.987 -1.622 32.147 1.00 0.00 H new ATOM 0 HG13 VAL A 132 73.844 -2.056 33.440 1.00 0.00 H new ATOM 0 HG21 VAL A 132 71.280 -1.349 31.910 1.00 0.00 H new ATOM 0 HG22 VAL A 132 71.634 -0.901 33.596 1.00 0.00 H new ATOM 0 HG23 VAL A 132 71.201 0.356 32.413 1.00 0.00 H new ATOM 2074 N GLN A 133 73.002 0.730 35.386 1.00 0.00 N ATOM 2075 CA GLN A 133 72.958 0.290 36.810 1.00 0.00 C ATOM 2076 C GLN A 133 71.983 -0.881 36.950 1.00 0.00 C ATOM 2077 O GLN A 133 70.877 -0.770 36.450 1.00 0.00 O ATOM 2078 CB GLN A 133 72.488 1.452 37.687 1.00 0.00 C ATOM 2079 CG GLN A 133 73.172 2.744 37.236 1.00 0.00 C ATOM 2080 CD GLN A 133 72.419 3.332 36.041 1.00 0.00 C ATOM 2081 OE1 GLN A 133 72.848 3.200 34.913 1.00 0.00 O ATOM 2082 NE2 GLN A 133 71.303 3.978 36.243 1.00 0.00 N ATOM 2083 OXT GLN A 133 72.362 -1.870 37.557 1.00 0.00 O ATOM 0 H GLN A 133 72.361 1.486 35.145 1.00 0.00 H new ATOM 0 HA GLN A 133 73.953 -0.025 37.126 1.00 0.00 H new ATOM 0 HB2 GLN A 133 71.405 1.558 37.618 1.00 0.00 H new ATOM 0 HB3 GLN A 133 72.722 1.250 38.732 1.00 0.00 H new ATOM 0 HG2 GLN A 133 73.192 3.462 38.056 1.00 0.00 H new ATOM 0 HG3 GLN A 133 74.208 2.543 36.963 1.00 0.00 H new ATOM 0 HE21 GLN A 133 70.942 4.089 37.191 1.00 0.00 H new ATOM 0 HE22 GLN A 133 70.792 4.372 35.453 1.00 0.00 H new TER 2092 GLN A 133